diff --git a/app/bench/src/main.cpp b/app/bench/src/main.cpp index 9dbddfdcd..b1e11c5aa 100644 --- a/app/bench/src/main.cpp +++ b/app/bench/src/main.cpp @@ -72,19 +72,19 @@ int main( int, char ** ) { if ( p_key == SDL_SCANCODE_F1 ) { - renderer.addProxyMolecule( scene.addMolecule( "4hhb" ) ); + renderer.addProxySystem( scene.addSystem( "4hhb" ) ); } else if ( p_key == SDL_SCANCODE_F2 ) { - renderer.addProxyMolecule( scene.addMolecule( "1aga" ) ); + renderer.addProxySystem( scene.addSystem( "1aga" ) ); } else if ( p_key == SDL_SCANCODE_F3 ) { - renderer.addProxyMolecule( scene.addMolecule( "4v6x" ) ); + renderer.addProxySystem( scene.addSystem( "4v6x" ) ); } else if ( p_key == SDL_SCANCODE_F4 ) { - renderer.addProxyMolecule( scene.addMolecule( "3j3q" ) ); + renderer.addProxySystem( scene.addSystem( "3j3q" ) ); } else if ( p_key == SDL_SCANCODE_F5 ) { @@ -105,7 +105,7 @@ int main( int, char ** ) { try { - renderer.addProxyMolecule( scene.addMolecule( p_filePath.string() ) ); + renderer.addProxySystem( scene.addSystem( p_filePath.string() ) ); } catch ( const std::exception & p_e ) { diff --git a/app/bench/src/scene.cpp b/app/bench/src/scene.cpp index 0c8bd3ebc..69b031a91 100644 --- a/app/bench/src/scene.cpp +++ b/app/bench/src/scene.cpp @@ -31,57 +31,57 @@ namespace VTX::Bench _proxyLayoutColor.colors = &( _colorLayout.layout ); } - Renderer::Proxy::Molecule & Scene::addMolecule( const std::string & p_name ) + Renderer::Proxy::System & Scene::addSystem( const std::string & p_name ) { using namespace Util; if ( p_name.find( '.' ) != std::string::npos ) { - _molecules.emplace_back( std::make_unique( loadMolecule( p_name ) ) ); + _systems.emplace_back( std::make_unique( loadSystem( p_name ) ) ); } else { - _molecules.emplace_back( std::make_unique( downloadMolecule( p_name ) ) ); + _systems.emplace_back( std::make_unique( downloadSystem( p_name ) ) ); } - //_molecules.back()->transform - // = Math::translate( _molecules.back()->transform, Math::randomVec3f() * 200.f - 100.f ); - IO::Util::SecondaryStructure::computeStride( *_molecules.back() ); - _proxyMolecules.emplace_back( _proxify( *_molecules.back() ) ); + //_systems.back()->transform + // = Math::translate( _systems.back()->transform, Math::randomVec3f() * 200.f - 100.f ); + IO::Util::SecondaryStructure::computeStride( *_systems.back() ); + _proxySystems.emplace_back( _proxify( *_systems.back() ) ); _directions.emplace_back( Math::randomVec3f() * 2.f - 1.f ); - return *_proxyMolecules.back(); + return *_proxySystems.back(); }; - void Scene::removeMolecule( const size_t p_index ) + void Scene::removeSystem( const size_t p_index ) { - _proxyMolecules[ p_index ]->onRemove(); - _molecules.erase( _molecules.begin() + p_index ); - _proxyMolecules.erase( _proxyMolecules.begin() + p_index ); + _proxySystems[ p_index ]->onRemove(); + _systems.erase( _systems.begin() + p_index ); + _proxySystems.erase( _proxySystems.begin() + p_index ); _directions.erase( _directions.begin() + p_index ); } // TODO: remove renderer from here. - void Scene::removeAllMolecules( Renderer::Renderer * const p_renderer ) + void Scene::removeAllSystems( Renderer::Renderer * const p_renderer ) { - std::vector proxies; - for ( auto & proxy : _proxyMolecules ) + std::vector proxies; + for ( auto & proxy : _proxySystems ) { proxies.push_back( proxy.get() ); } - p_renderer->removeProxyMolecules( proxies ); + p_renderer->removeProxySystems( proxies ); - _molecules.clear(); - _proxyMolecules.clear(); + _systems.clear(); + _proxySystems.clear(); _directions.clear(); } - std::unique_ptr Scene::_proxify( const Core::Struct::Molecule & p_molecule ) + std::unique_ptr Scene::_proxify( const Core::Struct::System & p_system ) { - const size_t sizeAtoms = p_molecule.trajectory.frames.front().size(); - const std::vector & symbols = p_molecule.atomSymbols; - const size_t sizeResidue = p_molecule.residueOriginalIds.size(); + const size_t sizeAtoms = p_system.trajectory.frames.front().size(); + const std::vector & symbols = p_system.atomSymbols; + const size_t sizeResidue = p_system.residueOriginalIds.size(); std::vector atomColors( sizeAtoms ); size_t i = 0; @@ -108,27 +108,27 @@ namespace VTX::Bench std::generate( residueColors.begin(), residueColors.end(), - [ & ] { return Core::ChemDB::Color::getColorIndex( p_molecule.residueSecondaryStructureTypes[ i++ ] ); } + [ & ] { return Core::ChemDB::Color::getColorIndex( p_system.residueSecondaryStructureTypes[ i++ ] ); } ); const Core::Struct::Category & categoryPolymer - = p_molecule.getCategory( Core::ChemDB::Category::TYPE::POLYMER ); + = p_system.getCategory( Core::ChemDB::Category::TYPE::POLYMER ); const Core::Struct::Category & categoryCarbohydrate - = p_molecule.getCategory( Core::ChemDB::Category::TYPE::CARBOHYDRATE ); + = p_system.getCategory( Core::ChemDB::Category::TYPE::CARBOHYDRATE ); const std::vector & polymerChainIds = categoryPolymer.getLinkedChains(); const std::vector & carbohydrateChainIds = categoryCarbohydrate.getLinkedChains(); - return std::make_unique( Renderer::Proxy::Molecule { - &p_molecule.transform, - &p_molecule.trajectory.frames.front(), - &p_molecule.bondPairAtomIndexes, - &p_molecule.atomNames, - reinterpret_cast *>( &p_molecule.residueSecondaryStructureTypes ), - &p_molecule.residueFirstAtomIndexes, - &p_molecule.residueAtomCounts, - &p_molecule.chainFirstResidues, - &p_molecule.chainResidueCounts, + return std::make_unique( Renderer::Proxy::System { + &p_system.transform, + &p_system.trajectory.frames.front(), + &p_system.bondPairAtomIndexes, + &p_system.atomNames, + reinterpret_cast *>( &p_system.residueSecondaryStructureTypes ), + &p_system.residueFirstAtomIndexes, + &p_system.residueAtomCounts, + &p_system.chainFirstResidues, + &p_system.chainResidueCounts, atomColors, atomRadii, atomIds, diff --git a/app/bench/src/scene.hpp b/app/bench/src/scene.hpp index 9969605f3..c834f0b5b 100644 --- a/app/bench/src/scene.hpp +++ b/app/bench/src/scene.hpp @@ -3,10 +3,10 @@ #include "camera.hpp" #include -#include +#include #include #include -#include +#include namespace VTX::Renderer { @@ -24,11 +24,11 @@ namespace VTX::Bench inline Camera & getCamera() { return _camera; } inline Renderer::Proxy::Camera & getProxyCamera() { return _proxyCamera; } - Renderer::Proxy::Molecule & addMolecule( const std::string & p_name ); - void removeMolecule( const size_t p_index ); + Renderer::Proxy::System & addSystem( const std::string & p_name ); + void removeSystem( const size_t p_index ); // TODO: remove renderer from here. - void removeAllMolecules( Renderer::Renderer * const p_renderer ); + void removeAllSystems( Renderer::Renderer * const p_renderer ); inline void update( const float p_deltaTime ) { @@ -40,22 +40,22 @@ namespace VTX::Bench int i = 0; // static uint currentFrame = 0; - for ( auto & molecule : _molecules ) + for ( auto & system : _systems ) { - molecule->transform = Util::Math::rotate( molecule->transform, p_deltaTime, _directions[ i ] ); + system->transform = Util::Math::rotate( system->transform, p_deltaTime, _directions[ i ] ); - //_proxyMolecules[ i ]->atomPositions - // = &molecule->trajectory.frames[ currentFrame++ % molecule->trajectory.frames.size() ]; - //_proxyMolecules[ i ]->onAtomPositions(); + //_proxySystems[ i ]->atomPositions + // = &system->trajectory.frames[ currentFrame++ % system->trajectory.frames.size() ]; + //_proxySystems[ i ]->onAtomPositions(); - _proxyMolecules[ i++ ]->onTransform(); + _proxySystems[ i++ ]->onTransform(); } } - inline const std::vector> & getMolecules() const { return _molecules; } - inline const std::vector> & getProxiesMolecules() const + inline const std::vector> & getSystems() const { return _systems; } + inline const std::vector> & getProxiesSystems() const { - return _proxyMolecules; + return _proxySystems; } inline const Core::Struct::ColorLayout & getColorLayout() const { return _colorLayout; } inline void setColorLayout( const Core::Struct::ColorLayout & p_colorLayout ) @@ -71,14 +71,14 @@ namespace VTX::Bench Camera _camera; Renderer::Proxy::Camera _proxyCamera; - std::vector> _molecules; - std::vector> _proxyMolecules; - std::vector _directions; + std::vector> _systems; + std::vector> _proxySystems; + std::vector _directions; Core::Struct::ColorLayout _colorLayout; Renderer::Proxy::ColorLayout _proxyLayoutColor; - std::unique_ptr _proxify( const Core::Struct::Molecule & p_molecule ); + std::unique_ptr _proxify( const Core::Struct::System & p_system ); }; } // namespace VTX::Bench diff --git a/app/bench/src/user_interface.cpp b/app/bench/src/user_interface.cpp index d41aff7cd..43d9e034a 100644 --- a/app/bench/src/user_interface.cpp +++ b/app/bench/src/user_interface.cpp @@ -408,19 +408,19 @@ namespace VTX::Bench ImGui::SameLine(); if ( ImGui::Button( "X all" ) ) { - p_scene->removeAllMolecules( p_renderer ); + p_scene->removeAllSystems( p_renderer ); } - size_t idMolecule = 0; + size_t idSystem = 0; int toDelete = -1; - for ( auto & proxyMolecule : p_scene->getProxiesMolecules() ) + for ( auto & proxySystem : p_scene->getProxiesSystems() ) { // Display transform. - if ( ImGui::TreeNode( fmt::format( "Molecule ({})", idMolecule ).c_str() ) ) + if ( ImGui::TreeNode( fmt::format( "System ({})", idSystem ).c_str() ) ) { // Display transform. - Mat4f transform = *proxyMolecule->transform; + Mat4f transform = *proxySystem->transform; ImGui::Text( "Transform" ); ImGui::InputFloat4( "", &transform[ 0 ][ 0 ] ); ImGui::InputFloat4( "", &transform[ 1 ][ 0 ] ); @@ -429,43 +429,43 @@ namespace VTX::Bench if ( ImGui::Button( "S" ) ) { - proxyMolecule->onSelect( true ); + proxySystem->onSelect( true ); } ImGui::SameLine(); if ( ImGui::Button( "US" ) ) { - proxyMolecule->onSelect( false ); + proxySystem->onSelect( false ); } ImGui::SameLine(); if ( ImGui::Button( "UV" ) ) { - proxyMolecule->onVisible( false ); + proxySystem->onVisible( false ); } ImGui::SameLine(); if ( ImGui::Button( "V" ) ) { - proxyMolecule->onVisible( true ); + proxySystem->onVisible( true ); } ImGui::SameLine(); if ( ImGui::Button( "Rep" ) ) { - proxyMolecule->onRepresentation( rand() % 3 ); + proxySystem->onRepresentation( rand() % 3 ); } ImGui::SameLine(); if ( ImGui::Button( "X" ) ) { // Don't remove from proxy directly, remove from scene before (after loop). - toDelete = int( idMolecule ); + toDelete = int( idSystem ); } ImGui::TreePop(); } - idMolecule++; + idSystem++; } if ( toDelete != -1 ) { - p_scene->removeMolecule( toDelete ); + p_scene->removeSystem( toDelete ); } } ImGui::End(); diff --git a/app/bench/src/util.cpp b/app/bench/src/util.cpp index 675394d2f..d40c64d66 100644 --- a/app/bench/src/util.cpp +++ b/app/bench/src/util.cpp @@ -1,29 +1,29 @@ #include "util.hpp" -#include +#include #include namespace VTX::Bench { - Core::Struct::Molecule loadMolecule( const FilePath & p_filename ) + Core::Struct::System loadSystem( const FilePath & p_filename ) { - IO::Reader::Molecule reader; - Core::Struct::Molecule molecule; + IO::Reader::System reader; + Core::Struct::System system; - reader.readFile( VTX::Util::Filesystem::getExecutableDir() / "data" / p_filename, molecule ); + reader.readFile( VTX::Util::Filesystem::getExecutableDir() / "data" / p_filename, system ); - return molecule; + return system; } - Core::Struct::Molecule downloadMolecule( const std::string & p_pdb ) + Core::Struct::System downloadSystem( const std::string & p_pdb ) { - IO::Reader::Molecule reader; - Core::Struct::Molecule molecule; - std::string data; + IO::Reader::System reader; + Core::Struct::System system; + std::string data; VTX::Util::Network::httpRequestGet( "https://files.rcsb.org/download/" + p_pdb + ".pdb", &data ); - reader.readBuffer( data, p_pdb + ".pdb", molecule ); + reader.readBuffer( data, p_pdb + ".pdb", system ); - return molecule; + return system; } } // namespace VTX::Bench diff --git a/app/bench/src/util.hpp b/app/bench/src/util.hpp index 99c67a09a..238c425cf 100644 --- a/app/bench/src/util.hpp +++ b/app/bench/src/util.hpp @@ -1,13 +1,13 @@ #ifndef __VTX_BENCH_UTIL__ #define __VTX_BENCH_UTIL__ -#include +#include #include namespace VTX::Bench { - Core::Struct::Molecule loadMolecule( const FilePath & p_filename ); - Core::Struct::Molecule downloadMolecule( const std::string & p_pdb ); + Core::Struct::System loadSystem( const FilePath & p_filename ); + Core::Struct::System downloadSystem( const std::string & p_pdb ); // Skybox tests. /* diff --git a/dev/CMakeLists.txt b/dev/CMakeLists.txt index 79003e925..16311b4d6 100644 --- a/dev/CMakeLists.txt +++ b/dev/CMakeLists.txt @@ -28,6 +28,9 @@ find_package(Qt6 COMPONENTS OpenGLWidgets REQUIRED) find_package(Eigen3 CONFIG REQUIRED) find_package(fmt CONFIG REQUIRED) find_package(re2 CONFIG REQUIRED) +find_package(Boost CONFIG REQUIRED) # Needed for multiprocessing on pdb database test +find_package(LibArchive REQUIRED) + # Util. include("${DIR_LIBS}/util/cmake/library.cmake") diff --git a/dev/conanfile.py b/dev/conanfile.py index f57b24e46..5741ec5c4 100644 --- a/dev/conanfile.py +++ b/dev/conanfile.py @@ -30,6 +30,8 @@ def requirements(self): self.requires("gromacs/2024.0") self.requires("fmt/10.2.1") self.requires("re2/20231101") + self.requires("libarchive/3.7.6") + self.requires("boost/1.86.0") def config_options(self): # Package options. diff --git a/lib/app/include/app/action/application.hpp b/lib/app/include/app/action/application.hpp index 4a7983520..7f5795213 100644 --- a/lib/app/include/app/action/application.hpp +++ b/lib/app/include/app/action/application.hpp @@ -84,13 +84,13 @@ namespace VTX::App::Action::Application explicit Open( const FilePath & p_path ) { _paths.emplace_back( p_path ); } // explicit Open( const std::vector & p_paths ) : _paths( p_paths ) {} // explicit Open( const std::map & p_buffers ) : _buffers( p_buffers ) {} - // explicit Open( const FilePath & p_trajectoryPath, Model::Chemistry::Molecule & p_target ) + // explicit Open( const FilePath & p_trajectoryPath, Model::Chemistry::System & p_target ) //{ // _trajectoryTargets.emplace_back( &p_target ); // _paths.emplace_back( p_trajectoryPath ); // } // explicit Open( const FilePath & p_trajectoryPath, - // const std::vector & p_targets ) : + // const std::vector & p_targets ) : // _trajectoryTargets( p_targets ) //{ // _paths.emplace_back( p_trajectoryPath ); @@ -102,8 +102,8 @@ namespace VTX::App::Action::Application std::vector _paths = std::vector(); // std::map _buffers = std::map(); - // std::vector _trajectoryTargets - // = std::vector(); + // std::vector _trajectoryTargets + // = std::vector(); }; class Quit final : public Core::Action::BaseAction diff --git a/lib/app/include/app/action/scene.hpp b/lib/app/include/app/action/scene.hpp index fb95b1cf5..73b3d75a7 100644 --- a/lib/app/include/app/action/scene.hpp +++ b/lib/app/include/app/action/scene.hpp @@ -11,11 +11,11 @@ namespace VTX::App::Action::Scene { - class LoadMolecule final : public App::Core::Action::BaseAction + class LoadSystem final : public App::Core::Action::BaseAction { public: - explicit LoadMolecule( const FilePath & p_path ) : _path( p_path ) {} - explicit LoadMolecule( const FilePath & p_path, std::string * const p_buffer ) : + explicit LoadSystem( const FilePath & p_path ) : _path( p_path ) {} + explicit LoadSystem( const FilePath & p_path, std::string * const p_buffer ) : _path( p_path ), _buffer( p_buffer ) { } @@ -26,14 +26,14 @@ namespace VTX::App::Action::Scene const FilePath _path; std::string * const _buffer = nullptr; - std::vector _trajectoryTargets; + std::vector _trajectoryTargets; }; // TODO: move to other file? - class DownloadMolecule final : public App::Core::Action::BaseAction + class DownloadSystem final : public App::Core::Action::BaseAction { public: - explicit DownloadMolecule( const std::string & p_url, const FilePath & p_filename ) : + explicit DownloadSystem( const std::string & p_url, const FilePath & p_filename ) : _url( p_url ), _filename( p_filename.filename() ) { } diff --git a/lib/app/include/app/application/selection/molecule_data.hpp b/lib/app/include/app/application/selection/system_data.hpp similarity index 91% rename from lib/app/include/app/application/selection/molecule_data.hpp rename to lib/app/include/app/application/selection/system_data.hpp index 801463a28..f9fe7bc04 100644 --- a/lib/app/include/app/application/selection/molecule_data.hpp +++ b/lib/app/include/app/application/selection/system_data.hpp @@ -4,8 +4,8 @@ #include "app/application/selection/selection_data.hpp" #include "app/component/chemistry/atom.hpp" #include "app/component/chemistry/chain.hpp" -#include "app/component/chemistry/molecule.hpp" #include "app/component/chemistry/residue.hpp" +#include "app/component/chemistry/system.hpp" #include #include #include @@ -15,7 +15,7 @@ namespace VTX::App::Application::Selection { using namespace Component::Chemistry; - class MoleculeData : public SelectionData + class SystemData : public SelectionData { public: using IndexRange = Util::Math::Range; @@ -26,7 +26,7 @@ namespace VTX::App::Application::Selection enum class CurrentObjectTypeEnum : int { - Molecule, + System, Chain, Residue, Atom, @@ -35,7 +35,7 @@ namespace VTX::App::Application::Selection }; public: - MoleculeData( const Component::Scene::Selectable & p_selectable ); + SystemData( const Component::Scene::Selectable & p_selectable ); void set( const SelectionData & p_other ) override; @@ -264,22 +264,22 @@ namespace VTX::App::Application::Selection return true; } - inline Molecule & getMolecule() const { return *_molecule; } - inline const IndexRangeList & getChainIds() const { return _chainIds; } - inline const IndexRangeList & getResidueIds() const { return _residueIds; } - inline const AtomIndexRangeList & getAtomIds() const { return _atomIds; } + inline Component::Chemistry::System & getSystem() const { return *_system; } + inline const IndexRangeList & getChainIds() const { return _chainIds; } + inline const IndexRangeList & getResidueIds() const { return _residueIds; } + inline const AtomIndexRangeList & getAtomIds() const { return _atomIds; } - void setCurrentObject( const Molecule & p_molecule ); + void setCurrentObject( const Component::Chemistry::System & p_system ); void setCurrentObject( const Chain & p_chain ); void setCurrentObject( const Residue & p_residue ); void setCurrentObject( const Atom & p_atom ); CurrentObjectTypeEnum getCurrentObjectType() const { return _currentObjectType; } - Molecule & getCurrentObjectAsMolecule() const; - Chain & getCurrentObjectAsChain() const; - Residue & getCurrentObjectAsResidue() const; - Atom & getCurrentObjectAsAtom() const; + Component::Chemistry::System & getCurrentObjectAsSystem() const; + Chain & getCurrentObjectAsChain() const; + Residue & getCurrentObjectAsResidue() const; + Atom & getCurrentObjectAsAtom() const; Util::Math::AABB getAABB() const override; @@ -312,9 +312,9 @@ namespace VTX::App::Application::Selection void _recomputeAABB() const; - Molecule * const _molecule; - CurrentObjectTypeEnum _currentObjectType = CurrentObjectTypeEnum::Molecule; - size_t _currentObjectIndex = INVALID_INDEX; + Component::Chemistry::System * const _system; + CurrentObjectTypeEnum _currentObjectType = CurrentObjectTypeEnum::System; + size_t _currentObjectIndex = INVALID_INDEX; IndexRangeList _chainIds = IndexRangeList(); IndexRangeList _residueIds = IndexRangeList(); diff --git a/lib/app/include/app/application/selection/molecule_granularity.hpp b/lib/app/include/app/application/selection/system_granularity.hpp similarity index 75% rename from lib/app/include/app/application/selection/molecule_granularity.hpp rename to lib/app/include/app/application/selection/system_granularity.hpp index a1d22477d..b2b517d80 100644 --- a/lib/app/include/app/application/selection/molecule_granularity.hpp +++ b/lib/app/include/app/application/selection/system_granularity.hpp @@ -1,8 +1,8 @@ #ifndef __VTX_APP_APPLICATION_SELECTION_MOLECULE_GRANULARITY__ #define __VTX_APP_APPLICATION_SELECTION_MOLECULE_GRANULARITY__ -#include "app/application/selection/molecule_data.hpp" #include "app/application/selection/selection.hpp" +#include "app/application/selection/system_data.hpp" #include "app/component/chemistry/_fwd.hpp" #include #include @@ -21,14 +21,14 @@ namespace VTX::App::Application::Selection COUNT }; - inline static std::vector SELECTION_GRANULARITY_STR { "Atom", "Residue", "Chain", "Molecule" }; + inline static std::vector SELECTION_GRANULARITY_STR { "Atom", "Residue", "Chain", "System" }; - class MoleculeGranularity + class SystemGranularity { public: - static MoleculeData getSelectionData( const Atom & p_atom, const Granularity & p_granularity ); - static MoleculeData getSelectionData( const Residue & p_residue, const Granularity & p_granularity ); - static MoleculeData getSelectionData( const Chain & p_chain, const Granularity & p_granularity ); + static SystemData getSelectionData( const Atom & p_atom, const Granularity & p_granularity ); + static SystemData getSelectionData( const Residue & p_residue, const Granularity & p_granularity ); + static SystemData getSelectionData( const Chain & p_chain, const Granularity & p_granularity ); static void select( const Atom & p_atom, const Granularity & p_granularity, const AssignmentType p_assignment ); static void unselect( const Atom & p_atom, const Granularity & p_granularity ); diff --git a/lib/app/include/app/component/chemistry/_fwd.hpp b/lib/app/include/app/component/chemistry/_fwd.hpp index 6432f60ab..262ea4945 100644 --- a/lib/app/include/app/component/chemistry/_fwd.hpp +++ b/lib/app/include/app/component/chemistry/_fwd.hpp @@ -4,7 +4,7 @@ namespace VTX::App::Component::Chemistry class Bond; class Category; class Chain; - class Molecule; + class System; class Residue; class Trajectory; } // namespace VTX::App::Component::Chemistry diff --git a/lib/app/include/app/component/chemistry/atom.hpp b/lib/app/include/app/component/chemistry/atom.hpp index c18130b04..ac181cc69 100644 --- a/lib/app/include/app/component/chemistry/atom.hpp +++ b/lib/app/include/app/component/chemistry/atom.hpp @@ -17,9 +17,9 @@ namespace VTX::App::Component::Chemistry public: Atom() = default; Atom( Residue * const p_residue ); - Atom( Molecule * const p_molecule ) : _moleculePtr( p_molecule ) {}; - Atom( Molecule * const p_molecule, const atom_index_t p_index ) : - _moleculePtr( p_molecule ), _index( p_index ) {}; + Atom( System * const p_system ) : _systemPtr( p_system ) {}; + Atom( System * const p_system, const atom_index_t p_index ) : + _systemPtr( p_system ), _index( p_index ) {}; atom_index_t getIndex() const { return _index; } void setIndex( const atom_index_t p_index ) { _index = p_index; } @@ -28,8 +28,8 @@ namespace VTX::App::Component::Chemistry void setResiduePtr( Residue * const p_residue ); Chain * getChainPtr() const; const Chain * getConstChainPtr() const; - inline Molecule * getMoleculePtr() const { return _moleculePtr; } - inline const Molecule * getConstMoleculePtr() const { return _moleculePtr; } + inline System * getSystemPtr() const { return _systemPtr; } + inline const System * getConstSystemPtr() const { return _systemPtr; } const std::string & getName() const; void setName( const std::string & p_name ); @@ -52,8 +52,8 @@ namespace VTX::App::Component::Chemistry void remove(); private: - // Store moleculePtr or use residuePtr->getChainPtr()->getMoleculePtr() ? - Molecule * _moleculePtr = nullptr; + // Store systemPtr or use residuePtr->getChainPtr()->getSystemPtr() ? + System * _systemPtr = nullptr; atom_index_t _index = INVALID_ATOM_INDEX; }; diff --git a/lib/app/include/app/component/chemistry/bond.hpp b/lib/app/include/app/component/chemistry/bond.hpp index 7942acf6b..a914272a6 100644 --- a/lib/app/include/app/component/chemistry/bond.hpp +++ b/lib/app/include/app/component/chemistry/bond.hpp @@ -12,13 +12,13 @@ namespace VTX::App::Component::Chemistry { public: Bond() {} - Bond( Molecule * const p_moleculePtr ) : _moleculePtr( p_moleculePtr ) {} - Bond( Molecule * const p_moleculePtr, const size_t p_index ) : _moleculePtr( p_moleculePtr ), _index( p_index ) + Bond( System * const p_systemPtr ) : _systemPtr( p_systemPtr ) {} + Bond( System * const p_systemPtr, const size_t p_index ) : _systemPtr( p_systemPtr ), _index( p_index ) { } - const Molecule * const getMoleculePtr() const { return _moleculePtr; } - Molecule * const getMoleculePtr() { return _moleculePtr; } + const System * const getSystemPtr() const { return _systemPtr; } + System * const getSystemPtr() { return _systemPtr; } atom_index_t getIndexFirstAtom() const; void setIndexFirstAtom( const atom_index_t p_atomIndex ); @@ -30,7 +30,7 @@ namespace VTX::App::Component::Chemistry void setVisible( const bool p_visible ); private: - Molecule * _moleculePtr = nullptr; + System * _systemPtr = nullptr; size_t _index = INVALID_INDEX; }; diff --git a/lib/app/include/app/component/chemistry/chain.hpp b/lib/app/include/app/component/chemistry/chain.hpp index 4d851bb39..8d3cfb8f0 100644 --- a/lib/app/include/app/component/chemistry/chain.hpp +++ b/lib/app/include/app/component/chemistry/chain.hpp @@ -17,14 +17,14 @@ namespace VTX::App::Component::Chemistry { public: Chain(); - Chain( Molecule * const p_molecule, const size_t p_index ); + Chain( System * const p_system, const size_t p_index ); const size_t getIndex() const { return _index; } void setIndex( const size_t p_index ) { _index = p_index; } - Molecule * const getMoleculePtr() const { return _moleculePtr; }; - const Molecule * const getConstMoleculePtr() const { return _moleculePtr; }; - void setMoleculePtr( Molecule * const p_moleculePtr ) { _moleculePtr = p_moleculePtr; }; + System * const getSystemPtr() const { return _systemPtr; }; + const System * const getConstSystemPtr() const { return _systemPtr; }; + void setSystemPtr( System * const p_systemPtr ) { _systemPtr = p_systemPtr; }; const std::string & getName() const; void setName( const std::string & p_name ); @@ -59,7 +59,7 @@ namespace VTX::App::Component::Chemistry void remove(); private: - Molecule * _moleculePtr = nullptr; + System * _systemPtr = nullptr; size_t _index = INVALID_INDEX; std::string _originalChainID = ""; Util::Color::Rgba _defaultColor = COLOR_WHITE; diff --git a/lib/app/include/app/component/chemistry/iterator/atom.hpp b/lib/app/include/app/component/chemistry/iterator/atom.hpp index dba0bd64a..043182e6d 100644 --- a/lib/app/include/app/component/chemistry/iterator/atom.hpp +++ b/lib/app/include/app/component/chemistry/iterator/atom.hpp @@ -11,7 +11,7 @@ namespace VTX::App::Component::Chemistry::Iterator { struct AtomIt { - AtomIt( Molecule * const p_molecule, const atom_index_t p_index, const atom_index_t p_end ); + AtomIt( System * const p_system, const atom_index_t p_index, const atom_index_t p_end ); Atom & operator*() const; Atom * operator->(); @@ -26,7 +26,7 @@ namespace VTX::App::Component::Chemistry::Iterator AtomIt operator++( int ); private: - Molecule * const _molecule; + System * const _system; atom_index_t _index; const atom_index_t _end; @@ -34,7 +34,7 @@ namespace VTX::App::Component::Chemistry::Iterator }; AtomContainer( - Molecule * const p_molecule, + System * const p_system, const atom_index_t p_firstAtomIndex, const atom_index_t p_atomCount ); @@ -43,7 +43,7 @@ namespace VTX::App::Component::Chemistry::Iterator AtomIt end(); private: - Molecule * const _molecule; + System * const _system; const atom_index_t _firstAtomIndex; const atom_index_t _atomCount; }; diff --git a/lib/app/include/app/component/chemistry/iterator/chain.hpp b/lib/app/include/app/component/chemistry/iterator/chain.hpp index d07ed2ffc..f2ccf4420 100644 --- a/lib/app/include/app/component/chemistry/iterator/chain.hpp +++ b/lib/app/include/app/component/chemistry/iterator/chain.hpp @@ -10,7 +10,7 @@ namespace VTX::App::Component::Chemistry::Iterator { struct ChainIt { - ChainIt( Molecule * const p_molecule, const size_t p_index, const size_t p_end ); + ChainIt( System * const p_system, const size_t p_index, const size_t p_end ); Chain & operator*() const; Chain * operator->(); @@ -25,20 +25,20 @@ namespace VTX::App::Component::Chemistry::Iterator ChainIt operator++( int ); private: - Molecule * const _molecule; + System * const _system; size_t _index; const size_t _end; void _getValid(); }; - ChainContainer( Molecule * const p_molecule, const size_t p_firstChainIndex, const size_t p_chainCount ); + ChainContainer( System * const p_system, const size_t p_firstChainIndex, const size_t p_chainCount ); ChainIt begin(); ChainIt end(); private: - Molecule * const _molecule; + System * const _system; const size_t _firstChainIndex; const size_t _chainCount; }; diff --git a/lib/app/include/app/component/chemistry/iterator/residue.hpp b/lib/app/include/app/component/chemistry/iterator/residue.hpp index dd4a8c8cf..f32ab5bf5 100644 --- a/lib/app/include/app/component/chemistry/iterator/residue.hpp +++ b/lib/app/include/app/component/chemistry/iterator/residue.hpp @@ -10,7 +10,7 @@ namespace VTX::App::Component::Chemistry::Iterator { struct ResidueIt { - ResidueIt( Molecule * const p_molecule, const size_t p_index, const size_t p_end ); + ResidueIt( System * const p_system, const size_t p_index, const size_t p_end ); Residue & operator*() const; Residue * operator->(); @@ -25,20 +25,20 @@ namespace VTX::App::Component::Chemistry::Iterator ResidueIt operator++( int ); private: - Molecule * const _molecule; + System * const _system; size_t _index; const size_t _end; void _getValid(); }; - ResidueContainer( Molecule * const p_molecule, const size_t p_firstResidueIndex, const size_t p_residueCount ); + ResidueContainer( System * const p_system, const size_t p_firstResidueIndex, const size_t p_residueCount ); ResidueIt begin(); ResidueIt end(); private: - Molecule * const _molecule; + System * const _system; const size_t _firstResidueIndex; const size_t _residueCount; }; diff --git a/lib/app/include/app/component/chemistry/residue.hpp b/lib/app/include/app/component/chemistry/residue.hpp index 1bfa115d8..3196f7bb8 100644 --- a/lib/app/include/app/component/chemistry/residue.hpp +++ b/lib/app/include/app/component/chemistry/residue.hpp @@ -18,14 +18,14 @@ namespace VTX::App::Component::Chemistry { public: Residue() = default; - Residue( Molecule * const p_molecule, const size_t p_index ) : _moleculePtr( p_molecule ), _index( p_index ) {} + Residue( System * const p_system, const size_t p_index ) : _systemPtr( p_system ), _index( p_index ) {} const Chain * const getConstChainPtr() const; Chain * const getChainPtr() const; void setChainPtr( Chain * const p_chainPtr ); - const Molecule * const getConstMoleculePtr() const { return _moleculePtr; } - Molecule * const getMoleculePtr() const { return _moleculePtr; } + const System * const getConstSystemPtr() const { return _systemPtr; } + System * const getSystemPtr() const { return _systemPtr; } size_t getIndex() const { return _index; } void setIndex( const size_t p_index ) { _index = p_index; } @@ -74,7 +74,7 @@ namespace VTX::App::Component::Chemistry void remove(); private: - Molecule * _moleculePtr = nullptr; + System * _systemPtr = nullptr; size_t _index = INVALID_INDEX; Util::Color::Rgba _color = COLOR_WHITE; diff --git a/lib/app/include/app/component/chemistry/molecule.hpp b/lib/app/include/app/component/chemistry/system.hpp similarity index 87% rename from lib/app/include/app/component/chemistry/molecule.hpp rename to lib/app/include/app/component/chemistry/system.hpp index 9abdbc9d0..8835975a5 100644 --- a/lib/app/include/app/component/chemistry/molecule.hpp +++ b/lib/app/include/app/component/chemistry/system.hpp @@ -6,7 +6,7 @@ #include "app/component/chemistry/index_types.hpp" #include "app/core/uid/uid.hpp" #include -#include +#include #include #include #include @@ -16,27 +16,27 @@ namespace VTX::App::Component::Render { - class ProxyMolecule; + class ProxySystem; } namespace VTX::App::Component::Chemistry { - class Molecule : public Core::ECS::BaseComponent + class System : public Core::ECS::BaseComponent { private: - friend App::Component::Render::ProxyMolecule; + friend App::Component::Render::ProxySystem; friend Chain; friend Residue; friend Atom; friend Bond; public: - Molecule(); - Molecule( VTX::Core::Struct::Molecule & p_moleculeStruct ); - ~Molecule(); + System(); + System( VTX::Core::Struct::System & p_systemStruct ); + ~System(); - const VTX::Core::Struct::Molecule & getMoleculeStruct() const { return _moleculeStruct; }; - void setMoleculeStruct( VTX::Core::Struct::Molecule & p_moleculeStruct ); + const VTX::Core::Struct::System & getSystemStruct() const { return _systemStruct; }; + void setSystemStruct( VTX::Core::Struct::System & p_systemStruct ); void initChains( const size_t p_chainCount ); Chain * getChain( const size_t p_index ) { return _chains[ p_index ].get(); } @@ -62,11 +62,11 @@ namespace VTX::App::Component::Chemistry std::vector> & getBonds() { return _bonds; } const std::vector> & getBonds() const { return _bonds; } - const std::string & getName() const { return _moleculeStruct.name; } + const std::string & getName() const { return _systemStruct.name; } void setName( const std::string & p_name ); - bool hasTrajectory() { return _moleculeStruct.trajectory.frames.size() >= 2; } - VTX::Core::Struct::Trajectory & getTrajectory() { return _moleculeStruct.trajectory; } + bool hasTrajectory() { return _systemStruct.trajectory.frames.size() >= 2; } + VTX::Core::Struct::Trajectory & getTrajectory() { return _systemStruct.trajectory; } const Util::Math::Transform & getTransform() const { return _transform; } Util::Math::Transform & getTransform() { return _transform; } @@ -123,7 +123,7 @@ namespace VTX::App::Component::Chemistry void _resizeTopologyVectors(); - VTX::Core::Struct::Molecule _moleculeStruct = VTX::Core::Struct::Molecule(); + VTX::Core::Struct::System _systemStruct = VTX::Core::Struct::System(); std::vector> _chains; std::vector> _residues; diff --git a/lib/app/include/app/component/chemistry/trajectory.hpp b/lib/app/include/app/component/chemistry/trajectory.hpp index 937d17c61..5dc254c25 100644 --- a/lib/app/include/app/component/chemistry/trajectory.hpp +++ b/lib/app/include/app/component/chemistry/trajectory.hpp @@ -13,10 +13,10 @@ namespace VTX::App::Component::Chemistry { public: Trajectory(); - Trajectory( Molecule * const p_molecule ); + Trajectory( System * const p_system ); - const Molecule * const getConstMoleculePtr() const { return _moleculePtr; } - Molecule * const getMoleculePtr() const { return _moleculePtr; } + const System * const getConstSystemPtr() const { return _systemPtr; } + System * const getSystemPtr() const { return _systemPtr; } size_t getCurrentFrame() const; void setCurrentFrame( const size_t p_frameIndex ); @@ -32,7 +32,7 @@ namespace VTX::App::Component::Chemistry void _update( const float p_deltaTime ); void _referenceUpdateFunction(); - Molecule * _moleculePtr = nullptr; + System * _systemPtr = nullptr; App::Core::Player::BasePlayer * _player = nullptr; }; } // namespace VTX::App::Component::Chemistry diff --git a/lib/app/include/app/component/io/_fwd.hpp b/lib/app/include/app/component/io/_fwd.hpp index 7d85222da..b34de4191 100644 --- a/lib/app/include/app/component/io/_fwd.hpp +++ b/lib/app/include/app/component/io/_fwd.hpp @@ -1,5 +1,5 @@ namespace VTX::App::Component::IO { - class MoleculeMetadata; + class SystemMetadata; class SceneFileInfo; } // namespace VTX::App::Component::IO diff --git a/lib/app/include/app/component/io/scene_file_info.hpp b/lib/app/include/app/component/io/scene_file_info.hpp index 30492a2d2..49cd68bf4 100644 --- a/lib/app/include/app/component/io/scene_file_info.hpp +++ b/lib/app/include/app/component/io/scene_file_info.hpp @@ -40,7 +40,7 @@ namespace VTX::App::Component::IO // // Writer::ChemfilesWriter * const getWriter(); // // void deleteWriter(); - // bool needToSaveMolecule() const; + // bool needToSaveSystem() const; // private: // FilePath _path = FilePath( "" ); @@ -51,16 +51,16 @@ namespace VTX::App::Component::IO // ScenePathData(); // virtual void receiveEvent( const App::Core::Event::VTXEvent & p_event ) override; - // void registerLoading( const App::Component::Chemistry::Molecule * const p_molecule, + // void registerLoading( const App::Component::Chemistry::System * const p_system, // const FilePath & p_filepath ); // inline const FilePath & getCurrentPath() const { return _currentFilePath; } // void setCurrentPath( const FilePath & p_filePath, const bool p_addInRecentPath = true ); // void clearCurrentPath(); - // Data & getData( const App::Component::Chemistry::Molecule * const p_molecule ); - // const ScenePathData::Data & getData( const App::Component::Chemistry::Molecule * const p_molecule ) const; - // FilePath getFilepath( const App::Component::Chemistry::Molecule * const p_molecule ) const; + // Data & getData( const App::Component::Chemistry::System * const p_system ); + // const ScenePathData::Data & getData( const App::Component::Chemistry::System * const p_system ) const; + // FilePath getFilepath( const App::Component::Chemistry::System * const p_system ) const; // void incrementSceneModifications(); // void decrementSceneModifications(); @@ -71,7 +71,7 @@ namespace VTX::App::Component::IO private: FilePath _currentFilePath = FilePath(); - // std::map _mapMoleculePath; + // std::map _mapSystemPath; int _sceneModificationsCount = 0; bool _forceSceneModifications = false; }; diff --git a/lib/app/include/app/component/io/molecule_metadata.hpp b/lib/app/include/app/component/io/system_metadata.hpp similarity index 92% rename from lib/app/include/app/component/io/molecule_metadata.hpp rename to lib/app/include/app/component/io/system_metadata.hpp index b53250bbf..fe610a84a 100644 --- a/lib/app/include/app/component/io/molecule_metadata.hpp +++ b/lib/app/include/app/component/io/system_metadata.hpp @@ -8,7 +8,7 @@ namespace VTX::App::Component::IO { - class MoleculeMetadata : public Core::ECS::BaseComponent + class SystemMetadata : public Core::ECS::BaseComponent { public: FilePath path = FilePath(); diff --git a/lib/app/include/app/component/render/proxy_molecule.hpp b/lib/app/include/app/component/render/proxy_system.hpp similarity index 72% rename from lib/app/include/app/component/render/proxy_molecule.hpp rename to lib/app/include/app/component/render/proxy_system.hpp index 488a5d3d4..fc7ddd9fc 100644 --- a/lib/app/include/app/component/render/proxy_molecule.hpp +++ b/lib/app/include/app/component/render/proxy_system.hpp @@ -1,21 +1,21 @@ #ifndef __VTX_APP_COMPONENT_RENDER_PROXY_MOLECULE__ #define __VTX_APP_COMPONENT_RENDER_PROXY_MOLECULE__ -#include "app/component/chemistry/molecule.hpp" +#include "app/component/chemistry/system.hpp" #include "app/core/visibility/enum.hpp" -#include +#include #include -#include +#include #include #include namespace VTX::App::Component::Render { - class ProxyMolecule : public Core::ECS::BaseComponentProxy + class ProxySystem : public Core::ECS::BaseComponentProxy { public: - ProxyMolecule(); - ~ProxyMolecule(); + ProxySystem(); + ~ProxySystem(); void setupProxy() override {} @@ -25,11 +25,11 @@ namespace VTX::App::Component::Render void _addInRenderer( Renderer::Facade & p_renderer ); void _setupCallbacks(); - std::vector _generateAtomColors( const VTX::Core::Struct::Molecule & p_molStruct ) const; - std::vector _generateAtomRadii( const VTX::Core::Struct::Molecule & p_molStruct ) const; - std::vector _generateAtomUids( const Component::Chemistry::Molecule & p_molComp ) const; - std::vector _generateResidueColors( const VTX::Core::Struct::Molecule & p_molStruct ) const; - std::vector _generateResidueUids( const Component::Chemistry::Molecule & p_molComp ) const; + std::vector _generateAtomColors( const VTX::Core::Struct::System & p_molStruct ) const; + std::vector _generateAtomRadii( const VTX::Core::Struct::System & p_molStruct ) const; + std::vector _generateAtomUids( const Component::Chemistry::System & p_molComp ) const; + std::vector _generateResidueColors( const VTX::Core::Struct::System & p_molStruct ) const; + std::vector _generateResidueUids( const Component::Chemistry::System & p_molComp ) const; void _applyOnVisibility( const Component::Chemistry::AtomIndexRangeList & p_rangeList, diff --git a/lib/app/include/app/entity/molecule.hpp b/lib/app/include/app/entity/system.hpp similarity index 58% rename from lib/app/include/app/entity/molecule.hpp rename to lib/app/include/app/entity/system.hpp index e24693828..ffeda6aa8 100644 --- a/lib/app/include/app/entity/molecule.hpp +++ b/lib/app/include/app/entity/system.hpp @@ -1,5 +1,5 @@ -#ifndef __VTX_APP_ENTITY_APPLICATION_SCENE_MOLECULE_ENTITY__ -#define __VTX_APP_ENTITY_APPLICATION_SCENE_MOLECULE_ENTITY__ +#ifndef __VTX_APP_ENTITY_APPLICATION_SCENE_SYSTEM_ENTITY__ +#define __VTX_APP_ENTITY_APPLICATION_SCENE_SYSTEM_ENTITY__ #include "app/component/chemistry/_fwd.hpp" #include "app/core/ecs/base_entity.hpp" @@ -7,10 +7,10 @@ namespace VTX::App::Entity { - class Molecule : public Core::ECS::BaseEntity + class System : public Core::ECS::BaseEntity { public: - Molecule( const FilePath & p_path, const std::string * const p_buffer = nullptr ) : + System( const FilePath & p_path, const std::string * const p_buffer = nullptr ) : _path( p_path ), _buffer( p_buffer ) { } diff --git a/lib/app/include/app/helper/chemistry.hpp b/lib/app/include/app/helper/chemistry.hpp index 30b0c8e24..ce17d7bd3 100644 --- a/lib/app/include/app/helper/chemistry.hpp +++ b/lib/app/include/app/helper/chemistry.hpp @@ -12,11 +12,11 @@ namespace VTX::App::Helper::Chemistry { std::vector findChainsByName( - const Component::Chemistry::Molecule & p_molecule, + const Component::Chemistry::System & p_system, const std::string & p_chainName ); std::vector findResiduesByName( - const Component::Chemistry::Chain & p_molecule, + const Component::Chemistry::Chain & p_system, const std::string & p_residueName ); diff --git a/lib/app/include/app/serialization/io/reader/molecule_loader.hpp b/lib/app/include/app/serialization/io/reader/system_loader.hpp similarity index 60% rename from lib/app/include/app/serialization/io/reader/molecule_loader.hpp rename to lib/app/include/app/serialization/io/reader/system_loader.hpp index bbe7aabc6..8b037efe2 100644 --- a/lib/app/include/app/serialization/io/reader/molecule_loader.hpp +++ b/lib/app/include/app/serialization/io/reader/system_loader.hpp @@ -2,9 +2,9 @@ #define __VTX_APP_SERIALIZATION_IO_READER_MOLECULE_LOADER__ #include "app/component/chemistry/_fwd.hpp" -#include "app/component/io/molecule_metadata.hpp" +#include "app/component/io/system_metadata.hpp" #include -#include +#include #include #include #include @@ -12,18 +12,18 @@ namespace VTX::App::Serialization::IO::Reader { - class MoleculeLoader : public VTX::IO::Core::Reader::BaseReader + class SystemLoader : public VTX::IO::Core::Reader::BaseReader { public: - MoleculeLoader() : VTX::IO::Core::Reader::BaseReader() {}; + SystemLoader() : VTX::IO::Core::Reader::BaseReader() {}; - void readFile( const FilePath & p_path, App::Component::Chemistry::Molecule & p_molecule ) override; - void readBuffer( const std::string &, const FilePath &, App::Component::Chemistry::Molecule & ) override; + void readFile( const FilePath & p_path, App::Component::Chemistry::System & p_system ) override; + void readBuffer( const std::string &, const FilePath &, App::Component::Chemistry::System & ) override; const VTX::IO::Reader::Chemfiles & getChemfilesReader() { return _reader.getChemfilesReader(); } private: - VTX::IO::Reader::Molecule _reader = VTX::IO::Reader::Molecule(); + VTX::IO::Reader::System _reader = VTX::IO::Reader::System(); }; } // namespace VTX::App::Serialization::IO::Reader #endif diff --git a/lib/app/include/app/serialization/scene_serializers.hpp b/lib/app/include/app/serialization/scene_serializers.hpp index afd4767b8..b49910b6a 100644 --- a/lib/app/include/app/serialization/scene_serializers.hpp +++ b/lib/app/include/app/serialization/scene_serializers.hpp @@ -21,13 +21,13 @@ namespace VTX::App::Serialization Util::JSon::Object serialize( const Component::Scene::Transform & p_component ); void deserialize( const Util::JSon::Object & p_json, Component::Scene::Transform & p_component ); - // MoleculeComponent - Util::JSon::Object serialize( const Component::Chemistry::Molecule & p_component ); - void deserialize( const Util::JSon::Object & p_json, Component::Chemistry::Molecule & p_component ); + // SystemComponent + Util::JSon::Object serialize( const Component::Chemistry::System & p_component ); + void deserialize( const Util::JSon::Object & p_json, Component::Chemistry::System & p_component ); - // MoleculeMetadata - Util::JSon::Object serialize( const Component::IO::MoleculeMetadata & p_component ); - void deserialize( const Util::JSon::Object & p_json, Component::IO::MoleculeMetadata & p_component ); + // SystemMetadata + Util::JSon::Object serialize( const Component::IO::SystemMetadata & p_component ); + void deserialize( const Util::JSon::Object & p_json, Component::IO::SystemMetadata & p_component ); // Trajectory Util::JSon::Object serialize( const Component::Chemistry::Trajectory & p_component ); diff --git a/lib/app/include/app/settings.hpp b/lib/app/include/app/settings.hpp index 22466d89d..b94d188f5 100644 --- a/lib/app/include/app/settings.hpp +++ b/lib/app/include/app/settings.hpp @@ -1,7 +1,7 @@ #ifndef __VTX_APP_SETTINGS__ #define __VTX_APP_SETTINGS__ -#include "app/application/selection/molecule_granularity.hpp" +#include "app/application/selection/system_granularity.hpp" #include "app/component/render/camera.hpp" #include diff --git a/lib/app/src/app/action/application.cpp b/lib/app/src/app/action/application.cpp index 41806de8f..b9ed7ace2 100644 --- a/lib/app/src/app/action/application.cpp +++ b/lib/app/src/app/action/application.cpp @@ -79,10 +79,10 @@ namespace VTX::App::Action::Application } else { - for ( const FilePath & moleculePath : _paths ) + for ( const FilePath & systemPath : _paths ) { - Action::Scene::LoadMolecule loadMoleculeAction = Action::Scene::LoadMolecule( moleculePath ); - loadMoleculeAction.execute(); + Action::Scene::LoadSystem loadSystemAction = Action::Scene::LoadSystem( systemPath ); + loadSystemAction.execute(); } } } diff --git a/lib/app/src/app/action/scene.cpp b/lib/app/src/app/action/scene.cpp index 124c5da49..8348f71a2 100644 --- a/lib/app/src/app/action/scene.cpp +++ b/lib/app/src/app/action/scene.cpp @@ -2,32 +2,32 @@ #include "app/action/animation.hpp" #include "app/application/scene.hpp" #include "app/application/system/ecs_system.hpp" -#include "app/component/chemistry/molecule.hpp" +#include "app/component/chemistry/system.hpp" #include "app/component/render/camera.hpp" #include "app/component/render/viewpoint.hpp" #include "app/component/scene/transform_component.hpp" #include "app/core/action/action_system.hpp" #include "app/core/network/network_system.hpp" -#include "app/entity/molecule.hpp" +#include "app/entity/system.hpp" #include "app/entity/viewpoint.hpp" #include "app/filesystem.hpp" #include namespace VTX::App::Action::Scene { - void LoadMolecule::execute() + void LoadSystem::execute() { - const auto entity = ECS_REGISTRY().createEntity( _path.string(), _buffer ); + const auto entity = ECS_REGISTRY().createEntity( _path.string(), _buffer ); ACTION_SYSTEM().execute( App::SCENE().getAABB() ); } - void DownloadMolecule::execute() + void DownloadSystem::execute() { std::string data; const FilePath cachePath = Filesystem::getCachePath( _filename ); NETWORK_SYSTEM().downloadFile( _url, _filename.string(), &data, true ); - App::ACTION_SYSTEM().execute( _filename, &data ); + App::ACTION_SYSTEM().execute( _filename, &data ); } CreateViewpoint::CreateViewpoint() : CreateViewpoint( SCENE().getCamera() ) {} diff --git a/lib/app/src/app/application/scene.cpp b/lib/app/src/app/application/scene.cpp index 811759da4..284e0e7dc 100644 --- a/lib/app/src/app/application/scene.cpp +++ b/lib/app/src/app/application/scene.cpp @@ -261,7 +261,7 @@ namespace VTX::App::Application updatableComponent.update( p_deltaTime ); } - // for ( const PairMoleculePtrFloat & pair : _molecules ) + // for ( const PairSystemPtrFloat & pair : _systems ) //{ // if ( pair.first->isAutoRotationPlaying() ) // { diff --git a/lib/app/src/app/application/selection/molecule_data.cpp b/lib/app/src/app/application/selection/system_data.cpp similarity index 57% rename from lib/app/src/app/application/selection/molecule_data.cpp rename to lib/app/src/app/application/selection/system_data.cpp index 084ef6365..54f4dcf8b 100644 --- a/lib/app/src/app/application/selection/molecule_data.cpp +++ b/lib/app/src/app/application/selection/system_data.cpp @@ -1,4 +1,4 @@ -#include "app/application/selection/molecule_data.hpp" +#include "app/application/selection/system_data.hpp" #include "app/component/scene/selectable.hpp" #include "app/component/scene/transform_component.hpp" #include "app/helper/math.hpp" @@ -8,13 +8,14 @@ namespace VTX::App::Application::Selection { - MoleculeData::MoleculeData( const Component::Scene::Selectable & p_selectable ) : - SelectionData( p_selectable ), _molecule( &ECS_REGISTRY().getComponent( p_selectable ) ) + SystemData::SystemData( const Component::Scene::Selectable & p_selectable ) : + SelectionData( p_selectable ), + _system( &ECS_REGISTRY().getComponent( p_selectable ) ) { selectAll(); } - void MoleculeData::clear() + void SystemData::clear() { _chainIds.clear(); _residueIds.clear(); @@ -22,25 +23,22 @@ namespace VTX::App::Application::Selection _localAABB.invalidate(); - _currentObjectType = CurrentObjectTypeEnum::Molecule; + _currentObjectType = CurrentObjectTypeEnum::System; } - bool MoleculeData::isEqualsTo( const SelectionData & p_other ) const + bool SystemData::isEqualsTo( const SelectionData & p_other ) const { - const MoleculeData & castedOther = dynamic_cast( p_other ); + const SystemData & castedOther = dynamic_cast( p_other ); - return _molecule == castedOther._molecule && _chainIds == castedOther._chainIds + return _system == castedOther._system && _chainIds == castedOther._chainIds && _residueIds == castedOther._residueIds && _atomIds == castedOther._atomIds; } - bool MoleculeData::isValid() const - { - return !( _chainIds.isEmpty() && _residueIds.isEmpty() && _atomIds.isEmpty() ); - } + bool SystemData::isValid() const { return !( _chainIds.isEmpty() && _residueIds.isEmpty() && _atomIds.isEmpty() ); } - std::unique_ptr MoleculeData::_cloneImpl() const + std::unique_ptr SystemData::_cloneImpl() const { - std::unique_ptr copy = std::make_unique( getSelectionComponent() ); + std::unique_ptr copy = std::make_unique( getSelectionComponent() ); copy->_chainIds = _chainIds; copy->_residueIds = _residueIds; @@ -54,11 +52,11 @@ namespace VTX::App::Application::Selection return std::move( copy ); } - void MoleculeData::set( const SelectionData & p_other ) + void SystemData::set( const SelectionData & p_other ) { - const MoleculeData & castedOther = dynamic_cast( p_other ); + const SystemData & castedOther = dynamic_cast( p_other ); - if ( _molecule == castedOther._molecule ) + if ( _system == castedOther._system ) { _chainIds = castedOther._chainIds; _residueIds = castedOther._residueIds; @@ -68,11 +66,11 @@ namespace VTX::App::Application::Selection } } - SelectionData & MoleculeData::add( const SelectionData & p_other ) + SelectionData & SystemData::add( const SelectionData & p_other ) { - const MoleculeData & castedOther = dynamic_cast( p_other ); + const SystemData & castedOther = dynamic_cast( p_other ); - if ( _molecule == castedOther._molecule ) + if ( _system == castedOther._system ) { Util::Algorithm::Range::mergeInSitu( _chainIds, castedOther._chainIds ); Util::Algorithm::Range::mergeInSitu( _residueIds, castedOther._residueIds ); @@ -83,11 +81,11 @@ namespace VTX::App::Application::Selection return *this; } - SelectionData & MoleculeData::remove( const SelectionData & p_other ) + SelectionData & SystemData::remove( const SelectionData & p_other ) { - const MoleculeData & castedOther = dynamic_cast( p_other ); + const SystemData & castedOther = dynamic_cast( p_other ); - if ( _molecule == castedOther._molecule ) + if ( _system == castedOther._system ) { Util::Algorithm::Range::substractInSitu( _chainIds, castedOther._chainIds ); Util::Algorithm::Range::substractInSitu( _residueIds, castedOther._residueIds ); @@ -98,11 +96,11 @@ namespace VTX::App::Application::Selection return *this; } - SelectionData & MoleculeData::intersect( const SelectionData & p_other ) + SelectionData & SystemData::intersect( const SelectionData & p_other ) { - const MoleculeData & castedOther = dynamic_cast( p_other ); + const SystemData & castedOther = dynamic_cast( p_other ); - if ( _molecule == castedOther._molecule ) + if ( _system == castedOther._system ) { Util::Algorithm::Range::intersectInSitu( _chainIds, castedOther._chainIds ); Util::Algorithm::Range::intersectInSitu( _residueIds, castedOther._residueIds ); @@ -119,11 +117,11 @@ namespace VTX::App::Application::Selection return *this; } - SelectionData & MoleculeData::exclude( const SelectionData & p_other ) + SelectionData & SystemData::exclude( const SelectionData & p_other ) { - const MoleculeData & castedOther = dynamic_cast( p_other ); + const SystemData & castedOther = dynamic_cast( p_other ); - if ( _molecule == castedOther._molecule ) + if ( _system == castedOther._system ) { _chainIds = Util::Algorithm::Range::exclusive( _chainIds, castedOther._chainIds ); _residueIds = Util::Algorithm::Range::exclusive( _residueIds, castedOther._residueIds ); @@ -134,87 +132,87 @@ namespace VTX::App::Application::Selection return *this; } - bool MoleculeData::contains( const SelectionData & p_other ) const + bool SystemData::contains( const SelectionData & p_other ) const { - const MoleculeData & castedOther = dynamic_cast( p_other ); + const SystemData & castedOther = dynamic_cast( p_other ); return areAtomsSelected( castedOther._atomIds ); } - void MoleculeData::selectAll() + void SystemData::selectAll() { - _chainIds.addRange( IndexRange( 0, _molecule->getChains().size() ) ); - _residueIds.addRange( IndexRange( 0, _molecule->getResidues().size() ) ); - _atomIds.addRange( AtomIndexRange( 0, atom_index_t( _molecule->getAtoms().size() ) ) ); + _chainIds.addRange( IndexRange( 0, _system->getChains().size() ) ); + _residueIds.addRange( IndexRange( 0, _system->getResidues().size() ) ); + _atomIds.addRange( AtomIndexRange( 0, atom_index_t( _system->getAtoms().size() ) ) ); _localAABB.invalidate(); - setCurrentObject( *_molecule ); + setCurrentObject( *_system ); } - bool MoleculeData::isFullySelected() const { return _atomIds.count() == _molecule->getAtoms().size(); } + bool SystemData::isFullySelected() const { return _atomIds.count() == _system->getAtoms().size(); } // Chains //////////////////////////////////////////////////////////////////////////////////////// - void MoleculeData::referenceChain( const Chain & p_chain ) + void SystemData::referenceChain( const Chain & p_chain ) { _referenceChain( p_chain ); setCurrentObject( p_chain ); } - void MoleculeData::selectFullChain( const Chain & p_chain ) + void SystemData::selectFullChain( const Chain & p_chain ) { _selectFullChain( p_chain ); setCurrentObject( p_chain ); } - void MoleculeData::referenceChains( const IndexRange & p_range ) + void SystemData::referenceChains( const IndexRange & p_range ) { _referenceChains( p_range ); - setCurrentObject( *_molecule->getChain( p_range.getLast() ) ); + setCurrentObject( *_system->getChain( p_range.getLast() ) ); } - void MoleculeData::selectFullChains( const IndexRange & p_range ) + void SystemData::selectFullChains( const IndexRange & p_range ) { _selectFullChains( p_range ); - setCurrentObject( *_molecule->getChain( p_range.getLast() ) ); + setCurrentObject( *_system->getChain( p_range.getLast() ) ); } - void MoleculeData::referenceChains( const IndexRangeList & p_rangeList ) + void SystemData::referenceChains( const IndexRangeList & p_rangeList ) { for ( const size_t index : p_rangeList ) { - const Chain * const chainPtr = _molecule->getChain( index ); + const Chain * const chainPtr = _system->getChain( index ); if ( chainPtr != nullptr ) _referenceChain( *chainPtr ); } - setCurrentObject( *_molecule->getChain( p_rangeList.getLast() ) ); + setCurrentObject( *_system->getChain( p_rangeList.getLast() ) ); } - void MoleculeData::selectFullChains( const IndexRangeList & p_rangeList ) + void SystemData::selectFullChains( const IndexRangeList & p_rangeList ) { for ( const size_t index : p_rangeList ) { - const Chain * const chainPtr = _molecule->getChain( index ); + const Chain * const chainPtr = _system->getChain( index ); if ( chainPtr != nullptr ) _selectFullChain( *chainPtr ); } - setCurrentObject( *_molecule->getChain( p_rangeList.getLast() ) ); + setCurrentObject( *_system->getChain( p_rangeList.getLast() ) ); } - void MoleculeData::unselectChain( const Chain & p_chain ) + void SystemData::unselectChain( const Chain & p_chain ) { _unselectChain( p_chain ); _refreshCurrentObject(); } - void MoleculeData::unselectChain( const size_t p_chainIndex ) + void SystemData::unselectChain( const size_t p_chainIndex ) { - unselectChain( *_molecule->getChain( p_chainIndex ) ); + unselectChain( *_system->getChain( p_chainIndex ) ); _refreshCurrentObject(); } - void MoleculeData::unselectChains( const IndexRange & p_chains ) + void SystemData::unselectChains( const IndexRange & p_chains ) { _unselectChains( p_chains ); _refreshCurrentObject(); } - void MoleculeData::unselectChains( const IndexRangeList & p_chain ) + void SystemData::unselectChains( const IndexRangeList & p_chain ) { for ( auto it = p_chain.rangeBegin(); it != p_chain.rangeEnd(); ++it ) { @@ -222,7 +220,7 @@ namespace VTX::App::Application::Selection } _refreshCurrentObject(); } - void MoleculeData::unselectChains( const std::initializer_list & p_chains ) + void SystemData::unselectChains( const std::initializer_list & p_chains ) { for ( const Chain * const chainPtr : p_chains ) { @@ -231,37 +229,34 @@ namespace VTX::App::Application::Selection } _refreshCurrentObject(); } - void MoleculeData::unselectChains( const std::initializer_list & p_chains ) + void SystemData::unselectChains( const std::initializer_list & p_chains ) { for ( const size_t chainIndex : p_chains ) { - _unselectChain( *_molecule->getChain( chainIndex ) ); + _unselectChain( *_system->getChain( chainIndex ) ); } _refreshCurrentObject(); } - bool MoleculeData::isChainSelected( const size_t & p_chainIndex ) const - { - return _chainIds.contains( p_chainIndex ); - } - bool MoleculeData::isChainSelected( const Chain & p_chain ) const { return isChainSelected( p_chain.getIndex() ); } - bool MoleculeData::isChainFullySelected( const Chain & p_chain ) const + bool SystemData::isChainSelected( const size_t & p_chainIndex ) const { return _chainIds.contains( p_chainIndex ); } + bool SystemData::isChainSelected( const Chain & p_chain ) const { return isChainSelected( p_chain.getIndex() ); } + bool SystemData::isChainFullySelected( const Chain & p_chain ) const { return areAtomsSelected( AtomIndexRange::createFirstLast( p_chain.getIndexFirstAtom(), p_chain.getIndexLastAtom() ) ); } - bool MoleculeData::isChainFullySelected( const size_t & p_chainIndex ) const + bool SystemData::isChainFullySelected( const size_t & p_chainIndex ) const { - return isChainFullySelected( *_molecule->getChain( p_chainIndex ) ); + return isChainFullySelected( *_system->getChain( p_chainIndex ) ); } - bool MoleculeData::areChainsSelected( const IndexRange & p_chains ) const { return _chainIds.contains( p_chains ); } - bool MoleculeData::areChainsSelected( const IndexRangeList & p_chains ) const + bool SystemData::areChainsSelected( const IndexRange & p_chains ) const { return _chainIds.contains( p_chains ); } + bool SystemData::areChainsSelected( const IndexRangeList & p_chains ) const { return _chainIds.contains( p_chains ); } - bool MoleculeData::areChainsSelected( const std::initializer_list & p_chains ) const + bool SystemData::areChainsSelected( const std::initializer_list & p_chains ) const { if ( p_chains.size() == 0 ) return false; @@ -272,7 +267,7 @@ namespace VTX::App::Application::Selection return true; } - bool MoleculeData::areChainsSelected( const std::initializer_list & p_chains ) const + bool SystemData::areChainsSelected( const std::initializer_list & p_chains ) const { if ( p_chains.size() == 0 ) return false; @@ -283,14 +278,14 @@ namespace VTX::App::Application::Selection return true; } - bool MoleculeData::areChainsFullySelected( const IndexRange & p_chains ) const + bool SystemData::areChainsFullySelected( const IndexRange & p_chains ) const { - const atom_index_t firstAtom = _molecule->getChain( p_chains.getFirst() )->getIndexFirstAtom(); - const atom_index_t lastAtom = _molecule->getChain( p_chains.getLast() )->getIndexLastAtom(); + const atom_index_t firstAtom = _system->getChain( p_chains.getFirst() )->getIndexFirstAtom(); + const atom_index_t lastAtom = _system->getChain( p_chains.getLast() )->getIndexLastAtom(); return _atomIds.contains( AtomIndexRange::createFirstLast( firstAtom, lastAtom ) ); } - bool MoleculeData::areChainsFullySelected( const IndexRangeList & p_chains ) const + bool SystemData::areChainsFullySelected( const IndexRangeList & p_chains ) const { for ( Util::Math::RangeList::RangeConstIterator itRange = p_chains.rangeBegin(); itRange != p_chains.rangeEnd(); @@ -302,7 +297,7 @@ namespace VTX::App::Application::Selection return true; } - bool MoleculeData::areChainsFullySelected( const std::initializer_list & p_chains ) const + bool SystemData::areChainsFullySelected( const std::initializer_list & p_chains ) const { for ( const Chain * const chainPtr : p_chains ) if ( !isChainSelected( *chainPtr ) ) @@ -310,7 +305,7 @@ namespace VTX::App::Application::Selection return true; } - bool MoleculeData::areChainsFullySelected( const std::initializer_list & p_chains ) const + bool SystemData::areChainsFullySelected( const std::initializer_list & p_chains ) const { for ( const size_t & chainIndex : p_chains ) if ( !isChainSelected( chainIndex ) ) @@ -321,78 +316,78 @@ namespace VTX::App::Application::Selection ////////////////////////////////////////////////////////////////////////////////////////////////// // Residues ////////////////////////////////////////////////////////////////////////////////////// - void MoleculeData::referenceResidue( const Residue & p_residue ) + void SystemData::referenceResidue( const Residue & p_residue ) { _referenceChain( *p_residue.getConstChainPtr() ); _referenceResidue( p_residue ); setCurrentObject( p_residue ); } - void MoleculeData::selectFullResidue( const Residue & p_residue ) + void SystemData::selectFullResidue( const Residue & p_residue ) { _referenceChain( *p_residue.getConstChainPtr() ); _selectFullResidue( p_residue ); setCurrentObject( p_residue ); } - void MoleculeData::referenceResidues( const IndexRange & p_range ) + void SystemData::referenceResidues( const IndexRange & p_range ) { - const size_t firstChainIndex = _molecule->getResidue( p_range.getFirst() )->getConstChainPtr()->getIndex(); - const size_t lastChainIndex = _molecule->getResidue( p_range.getLast() )->getConstChainPtr()->getIndex(); + const size_t firstChainIndex = _system->getResidue( p_range.getFirst() )->getConstChainPtr()->getIndex(); + const size_t lastChainIndex = _system->getResidue( p_range.getLast() )->getConstChainPtr()->getIndex(); _referenceChains( IndexRange::createFirstLast( firstChainIndex, lastChainIndex ) ); _referenceResidues( p_range ); - setCurrentObject( *( _molecule->getResidue( p_range.getLast() ) ) ); + setCurrentObject( *( _system->getResidue( p_range.getLast() ) ) ); } - void MoleculeData::selectFullResidues( const IndexRange & p_range ) + void SystemData::selectFullResidues( const IndexRange & p_range ) { _selectFullResidues( p_range ); - setCurrentObject( *( _molecule->getResidue( p_range.getLast() ) ) ); + setCurrentObject( *( _system->getResidue( p_range.getLast() ) ) ); } - void MoleculeData::referenceResidues( const IndexRangeList & p_rangeList ) + void SystemData::referenceResidues( const IndexRangeList & p_rangeList ) { for ( const size_t index : p_rangeList ) { - const Residue * const residuePtr = _molecule->getResidue( index ); + const Residue * const residuePtr = _system->getResidue( index ); _referenceChain( *residuePtr->getConstChainPtr() ); if ( residuePtr != nullptr ) _referenceResidue( *residuePtr ); } - setCurrentObject( *( _molecule->getResidue( p_rangeList.getLast() ) ) ); + setCurrentObject( *( _system->getResidue( p_rangeList.getLast() ) ) ); } - void MoleculeData::selectFullResidues( const IndexRangeList & p_rangeList ) + void SystemData::selectFullResidues( const IndexRangeList & p_rangeList ) { for ( const size_t index : p_rangeList ) { - const Residue * const residuePtr = _molecule->getResidue( index ); + const Residue * const residuePtr = _system->getResidue( index ); _referenceChain( *residuePtr->getConstChainPtr() ); if ( residuePtr != nullptr ) _selectFullResidue( *residuePtr ); } - setCurrentObject( *( _molecule->getResidue( p_rangeList.getLast() ) ) ); + setCurrentObject( *( _system->getResidue( p_rangeList.getLast() ) ) ); } - void MoleculeData::unselectResidue( const Residue & p_residue ) + void SystemData::unselectResidue( const Residue & p_residue ) { _unselectResidue( p_residue ); _refreshCurrentObject(); } - void MoleculeData::unselectResidue( const size_t p_residueIndex ) + void SystemData::unselectResidue( const size_t p_residueIndex ) { - _unselectResidue( *_molecule->getResidue( p_residueIndex ) ); + _unselectResidue( *_system->getResidue( p_residueIndex ) ); _refreshCurrentObject(); } - void MoleculeData::unselectResidues( const IndexRange & p_residues ) + void SystemData::unselectResidues( const IndexRange & p_residues ) { _unselectResidues( p_residues ); _refreshCurrentObject(); } - void MoleculeData::unselectResidues( const IndexRangeList & p_residues ) + void SystemData::unselectResidues( const IndexRangeList & p_residues ) { for ( Util::Math::RangeList::RangeConstIterator itRange = p_residues.rangeBegin(); itRange != p_residues.rangeEnd(); @@ -403,7 +398,7 @@ namespace VTX::App::Application::Selection _refreshCurrentObject(); } - void MoleculeData::unselectResidues( const std::initializer_list & p_atoms ) + void SystemData::unselectResidues( const std::initializer_list & p_atoms ) { for ( const Residue * const residuePtr : p_atoms ) { @@ -413,11 +408,11 @@ namespace VTX::App::Application::Selection _refreshCurrentObject(); } - void MoleculeData::unselectResidues( const std::initializer_list & p_atoms ) + void SystemData::unselectResidues( const std::initializer_list & p_atoms ) { for ( const size_t atomIndex : p_atoms ) { - const Residue * const atomPtr = _molecule->getResidue( atomIndex ); + const Residue * const atomPtr = _system->getResidue( atomIndex ); if ( atomPtr != nullptr ) _unselectResidue( *atomPtr ); @@ -426,31 +421,31 @@ namespace VTX::App::Application::Selection _refreshCurrentObject(); } - bool MoleculeData::isResidueSelected( const size_t & p_residueIndex ) const + bool SystemData::isResidueSelected( const size_t & p_residueIndex ) const { return _residueIds.contains( p_residueIndex ); } - bool MoleculeData::isResidueSelected( const Residue & p_residue ) const + bool SystemData::isResidueSelected( const Residue & p_residue ) const { return _residueIds.contains( p_residue.getIndex() ); } - bool MoleculeData::isResidueFullySelected( const size_t & p_residueIndex ) const + bool SystemData::isResidueFullySelected( const size_t & p_residueIndex ) const { - return isResidueFullySelected( *_molecule->getResidue( p_residueIndex ) ); + return isResidueFullySelected( *_system->getResidue( p_residueIndex ) ); } - bool MoleculeData::isResidueFullySelected( const Residue & p_residue ) const + bool SystemData::isResidueFullySelected( const Residue & p_residue ) const { return _atomIds.contains( AtomIndexRange( p_residue.getIndexFirstAtom(), p_residue.getAtomCount() ) ); } - bool MoleculeData::areResiduesSelected( const IndexRange & p_residues ) const + bool SystemData::areResiduesSelected( const IndexRange & p_residues ) const { return _residueIds.contains( p_residues ); } - bool MoleculeData::areResiduesSelected( const IndexRangeList & p_residues ) const + bool SystemData::areResiduesSelected( const IndexRangeList & p_residues ) const { return _residueIds.contains( p_residues ); } - bool MoleculeData::areResiduesSelected( const std::initializer_list & p_residues ) const + bool SystemData::areResiduesSelected( const std::initializer_list & p_residues ) const { for ( const Residue * const residuePtr : p_residues ) if ( !isResidueSelected( *residuePtr ) ) @@ -458,7 +453,7 @@ namespace VTX::App::Application::Selection return true; } - bool MoleculeData::areResiduesSelected( const std::initializer_list & p_residues ) const + bool SystemData::areResiduesSelected( const std::initializer_list & p_residues ) const { for ( const size_t & residueIndex : p_residues ) if ( !isResidueSelected( residueIndex ) ) @@ -466,14 +461,14 @@ namespace VTX::App::Application::Selection return true; } - bool MoleculeData::areResiduesFullySelected( const IndexRange & p_residues ) const + bool SystemData::areResiduesFullySelected( const IndexRange & p_residues ) const { - const atom_index_t firstAtom = _molecule->getResidue( p_residues.getFirst() )->getIndexFirstAtom(); - const atom_index_t lastAtom = _molecule->getResidue( p_residues.getLast() )->getIndexLastAtom(); + const atom_index_t firstAtom = _system->getResidue( p_residues.getFirst() )->getIndexFirstAtom(); + const atom_index_t lastAtom = _system->getResidue( p_residues.getLast() )->getIndexLastAtom(); return _atomIds.contains( AtomIndexRange::createFirstLast( firstAtom, lastAtom ) ); } - bool MoleculeData::areResiduesFullySelected( const IndexRangeList & p_residues ) const + bool SystemData::areResiduesFullySelected( const IndexRangeList & p_residues ) const { for ( Util::Math::RangeList::RangeConstIterator itRange = p_residues.rangeBegin(); itRange != p_residues.rangeEnd(); @@ -485,7 +480,7 @@ namespace VTX::App::Application::Selection return true; } - bool MoleculeData::areResiduesFullySelected( const std::initializer_list & p_residues ) const + bool SystemData::areResiduesFullySelected( const std::initializer_list & p_residues ) const { for ( const Residue * const residue : p_residues ) { @@ -495,7 +490,7 @@ namespace VTX::App::Application::Selection return true; } - bool MoleculeData::areResiduesFullySelected( const std::initializer_list & p_residues ) const + bool SystemData::areResiduesFullySelected( const std::initializer_list & p_residues ) const { for ( const size_t residueIndex : p_residues ) { @@ -508,7 +503,7 @@ namespace VTX::App::Application::Selection ////////////////////////////////////////////////////////////////////////////////////////////////// // Atoms ///////////////////////////////////////////////////////////////////////////////////////// - void MoleculeData::selectAtom( const Atom & p_atom ) + void SystemData::selectAtom( const Atom & p_atom ) { _referenceResidue( *p_atom.getConstResiduePtr() ); _referenceChain( *p_atom.getConstChainPtr() ); @@ -517,10 +512,10 @@ namespace VTX::App::Application::Selection setCurrentObject( p_atom ); } - void MoleculeData::selectAtoms( const AtomIndexRange & p_range ) + void SystemData::selectAtoms( const AtomIndexRange & p_range ) { - const Residue & firstResidue = *_molecule->getAtom( p_range.getFirst() )->getConstResiduePtr(); - const Residue & lastResidue = *_molecule->getAtom( p_range.getLast() )->getConstResiduePtr(); + const Residue & firstResidue = *_system->getAtom( p_range.getFirst() )->getConstResiduePtr(); + const Residue & lastResidue = *_system->getAtom( p_range.getLast() )->getConstResiduePtr(); _referenceResidues( IndexRange::createFirstLast( firstResidue.getIndex(), lastResidue.getIndex() ) ); @@ -530,14 +525,14 @@ namespace VTX::App::Application::Selection _referenceAtoms( p_range ); - setCurrentObject( *_molecule->getAtom( p_range.getLast() ) ); + setCurrentObject( *_system->getAtom( p_range.getLast() ) ); } - void MoleculeData::selectAtoms( const AtomIndexRangeList & p_rangeList ) + void SystemData::selectAtoms( const AtomIndexRangeList & p_rangeList ) { for ( AtomIndexRangeList::RangeConstIterator it = p_rangeList.rangeBegin(); it != p_rangeList.rangeEnd(); it++ ) { - const Residue & firstResidue = *_molecule->getAtom( it->getFirst() )->getConstResiduePtr(); - const Residue & lastResidue = *_molecule->getAtom( it->getLast() )->getConstResiduePtr(); + const Residue & firstResidue = *_system->getAtom( it->getFirst() )->getConstResiduePtr(); + const Residue & lastResidue = *_system->getAtom( it->getLast() )->getConstResiduePtr(); _referenceResidues( IndexRange::createFirstLast( firstResidue.getIndex(), lastResidue.getIndex() ) ); @@ -548,25 +543,25 @@ namespace VTX::App::Application::Selection _referenceAtoms( *it ); } - setCurrentObject( *_molecule->getAtom( p_rangeList.getLast() ) ); + setCurrentObject( *_system->getAtom( p_rangeList.getLast() ) ); } - void MoleculeData::unselectAtom( const Atom & p_atom ) + void SystemData::unselectAtom( const Atom & p_atom ) { _unselectAtom( p_atom ); _refreshCurrentObject(); } - void MoleculeData::unselectAtom( const atom_index_t p_atomIndex ) + void SystemData::unselectAtom( const atom_index_t p_atomIndex ) { - _unselectAtom( *_molecule->getAtom( p_atomIndex ) ); + _unselectAtom( *_system->getAtom( p_atomIndex ) ); _refreshCurrentObject(); } - void MoleculeData::unselectAtoms( const AtomIndexRange & p_atoms ) + void SystemData::unselectAtoms( const AtomIndexRange & p_atoms ) { _unselectAtoms( p_atoms ); _refreshCurrentObject(); } - void MoleculeData::unselectAtoms( const AtomIndexRangeList & p_atoms ) + void SystemData::unselectAtoms( const AtomIndexRangeList & p_atoms ) { for ( AtomIndexRangeList::RangeConstIterator itRange = p_atoms.rangeBegin(); itRange != p_atoms.rangeEnd(); ++itRange ) @@ -576,7 +571,7 @@ namespace VTX::App::Application::Selection _refreshCurrentObject(); } - void MoleculeData::unselectAtoms( const std::initializer_list & p_atoms ) + void SystemData::unselectAtoms( const std::initializer_list & p_atoms ) { for ( const Atom * const atomPtr : p_atoms ) { @@ -586,11 +581,11 @@ namespace VTX::App::Application::Selection _refreshCurrentObject(); } - void MoleculeData::unselectAtoms( const std::initializer_list & p_atoms ) + void SystemData::unselectAtoms( const std::initializer_list & p_atoms ) { for ( const atom_index_t atomIndex : p_atoms ) { - const Atom * const atomPtr = _molecule->getAtom( atomIndex ); + const Atom * const atomPtr = _system->getAtom( atomIndex ); if ( atomPtr != nullptr ) _unselectAtom( *atomPtr ); @@ -599,17 +594,17 @@ namespace VTX::App::Application::Selection _refreshCurrentObject(); } - bool MoleculeData::isAtomSelected( const atom_index_t & p_atomIndex ) const + bool SystemData::isAtomSelected( const atom_index_t & p_atomIndex ) const { return _atomIds.contains( p_atomIndex ); } - bool MoleculeData::isAtomSelected( const Atom & p_atom ) const { return _atomIds.contains( p_atom.getIndex() ); } - bool MoleculeData::areAtomsSelected( const AtomIndexRange & p_atoms ) const { return _atomIds.contains( p_atoms ); } - bool MoleculeData::areAtomsSelected( const AtomIndexRangeList & p_atoms ) const + bool SystemData::isAtomSelected( const Atom & p_atom ) const { return _atomIds.contains( p_atom.getIndex() ); } + bool SystemData::areAtomsSelected( const AtomIndexRange & p_atoms ) const { return _atomIds.contains( p_atoms ); } + bool SystemData::areAtomsSelected( const AtomIndexRangeList & p_atoms ) const { return _atomIds.contains( p_atoms ); } - bool MoleculeData::areAtomsSelected( const std::initializer_list & p_atoms ) const + bool SystemData::areAtomsSelected( const std::initializer_list & p_atoms ) const { for ( const Atom * const atom : p_atoms ) { @@ -618,7 +613,7 @@ namespace VTX::App::Application::Selection } return true; } - bool MoleculeData::areAtomsSelected( const std::initializer_list & p_atoms ) const + bool SystemData::areAtomsSelected( const std::initializer_list & p_atoms ) const { for ( atom_index_t const atomIndex : p_atoms ) { @@ -629,8 +624,8 @@ namespace VTX::App::Application::Selection } ////////////////////////////////////////////////////////////////////////////////////////////////// - void MoleculeData::_referenceChain( const Chain & p_chain ) { _chainIds.addValue( p_chain.getIndex() ); } - void MoleculeData::_selectFullChain( const Chain & p_chain ) + void SystemData::_referenceChain( const Chain & p_chain ) { _chainIds.addValue( p_chain.getIndex() ); } + void SystemData::_selectFullChain( const Chain & p_chain ) { const size_t firstResidueIndex = p_chain.getIndexFirstResidue(); const size_t residueCount = p_chain.getResidueCount(); @@ -638,11 +633,11 @@ namespace VTX::App::Application::Selection _selectFullResidues( IndexRange( firstResidueIndex, residueCount ) ); _referenceChain( p_chain ); } - void MoleculeData::_referenceChains( const IndexRange & p_range ) { _chainIds.addRange( p_range ); } - void MoleculeData::_selectFullChains( const IndexRange & p_range ) + void SystemData::_referenceChains( const IndexRange & p_range ) { _chainIds.addRange( p_range ); } + void SystemData::_selectFullChains( const IndexRange & p_range ) { - const Chain & firstChain = *_molecule->getChain( p_range.getFirst() ); - const Chain & lastChain = *_molecule->getChain( p_range.getLast() ); + const Chain & firstChain = *_system->getChain( p_range.getFirst() ); + const Chain & lastChain = *_system->getChain( p_range.getLast() ); const size_t firstResidueIndex = firstChain.getIndexFirstResidue(); const size_t lastResidueIndex = lastChain.getIndexFirstResidue() + lastChain.getResidueCount() - 1; @@ -650,7 +645,7 @@ namespace VTX::App::Application::Selection _selectFullResidues( IndexRange::createFirstLast( firstResidueIndex, lastResidueIndex ) ); _referenceChains( p_range ); } - void MoleculeData::_unselectChain( const Chain & p_chain ) + void SystemData::_unselectChain( const Chain & p_chain ) { _chainIds.removeValue( p_chain.getIndex() ); _residueIds.removeRange( @@ -659,10 +654,10 @@ namespace VTX::App::Application::Selection _atomIds.removeRange( AtomIndexRange::createFirstLast( p_chain.getIndexFirstAtom(), p_chain.getIndexLastAtom() ) ); } - void MoleculeData::_unselectChains( const IndexRange & p_range ) + void SystemData::_unselectChains( const IndexRange & p_range ) { - const Chain & firstChain = *_molecule->getChain( p_range.getFirst() ); - const Chain & lastChain = *_molecule->getChain( p_range.getLast() ); + const Chain & firstChain = *_system->getChain( p_range.getFirst() ); + const Chain & lastChain = *_system->getChain( p_range.getLast() ); _atomIds.removeRange( AtomIndexRange::createFirstLast( firstChain.getIndexFirstAtom(), lastChain.getIndexLastAtom() ) @@ -673,8 +668,8 @@ namespace VTX::App::Application::Selection _chainIds.removeRange( p_range ); } - void MoleculeData::_referenceResidue( const Residue & p_residue ) { _residueIds.addValue( p_residue.getIndex() ); } - void MoleculeData::_selectFullResidue( const Residue & p_residue ) + void SystemData::_referenceResidue( const Residue & p_residue ) { _residueIds.addValue( p_residue.getIndex() ); } + void SystemData::_selectFullResidue( const Residue & p_residue ) { const atom_index_t firstAtomIndex = p_residue.getIndexFirstAtom(); const atom_index_t atomCount = p_residue.getAtomCount(); @@ -682,11 +677,11 @@ namespace VTX::App::Application::Selection _referenceAtoms( AtomIndexRange( firstAtomIndex, atomCount ) ); _referenceResidue( p_residue ); } - void MoleculeData::_referenceResidues( const IndexRange & p_range ) { _residueIds.addRange( p_range ); } - void MoleculeData::_selectFullResidues( const IndexRange & p_range ) + void SystemData::_referenceResidues( const IndexRange & p_range ) { _residueIds.addRange( p_range ); } + void SystemData::_selectFullResidues( const IndexRange & p_range ) { - const Residue * const firstResidue = _molecule->getResidue( p_range.getFirst() ); - const Residue * const lastResidue = _molecule->getResidue( p_range.getLast() ); + const Residue * const firstResidue = _system->getResidue( p_range.getFirst() ); + const Residue * const lastResidue = _system->getResidue( p_range.getLast() ); const atom_index_t firstAtomIndex = firstResidue->getIndexFirstAtom(); const atom_index_t lastAtomIndex = lastResidue->getIndexFirstAtom() + lastResidue->getAtomCount() - 1; @@ -694,7 +689,7 @@ namespace VTX::App::Application::Selection _referenceAtoms( AtomIndexRange::createFirstLast( firstAtomIndex, lastAtomIndex ) ); _referenceResidues( p_range ); } - void MoleculeData::_unselectResidue( const Residue & p_residue ) + void SystemData::_unselectResidue( const Residue & p_residue ) { _residueIds.removeValue( p_residue.getIndex() ); _atomIds.removeRange( @@ -709,10 +704,10 @@ namespace VTX::App::Application::Selection _unselectChain( chainParent ); } } - void MoleculeData::_unselectResidues( const IndexRange & p_range ) + void SystemData::_unselectResidues( const IndexRange & p_range ) { - const Residue & firstResidue = *_molecule->getResidue( p_range.getFirst() ); - const Residue & lastResidue = *_molecule->getResidue( p_range.getLast() ); + const Residue & firstResidue = *_system->getResidue( p_range.getFirst() ); + const Residue & lastResidue = *_system->getResidue( p_range.getLast() ); // Atoms const atom_index_t firstAtomIndex = firstResidue.getIndexFirstAtom(); @@ -746,22 +741,22 @@ namespace VTX::App::Application::Selection } } - void MoleculeData::_referenceAtom( const Atom & p_atom ) + void SystemData::_referenceAtom( const Atom & p_atom ) { _atomIds.addValue( p_atom.getIndex() ); _localAABB.extend( p_atom.getLocalPosition(), p_atom.getVdwRadius() ); } - void MoleculeData::_referenceAtoms( const AtomIndexRange & p_range ) + void SystemData::_referenceAtoms( const AtomIndexRange & p_range ) { _atomIds.addRange( p_range ); for ( atom_index_t atomIndex = p_range.getFirst(); atomIndex <= p_range.getLast(); atomIndex++ ) { - const Atom & atom = *_molecule->getAtom( atomIndex ); + const Atom & atom = *_system->getAtom( atomIndex ); _localAABB.extend( atom.getLocalPosition(), atom.getVdwRadius() ); } } - void MoleculeData::_unselectAtom( const Atom & p_atom ) + void SystemData::_unselectAtom( const Atom & p_atom ) { const Residue & residueParent = *p_atom.getConstResiduePtr(); const Chain & chainParent = *residueParent.getConstChainPtr(); @@ -784,15 +779,15 @@ namespace VTX::App::Application::Selection _localAABB.invalidate(); } - void MoleculeData::_unselectAtoms( const AtomIndexRange & p_range ) + void SystemData::_unselectAtoms( const AtomIndexRange & p_range ) { // Atoms _atomIds.removeRange( p_range ); // Residues - const Residue & firstResidueParent = *_molecule->getAtom( p_range.getFirst() )->getConstResiduePtr(); + const Residue & firstResidueParent = *_system->getAtom( p_range.getFirst() )->getConstResiduePtr(); const size_t firstResidueIndex = firstResidueParent.getIndex(); - const Residue & lastResidueParent = *_molecule->getAtom( p_range.getLast() )->getConstResiduePtr(); + const Residue & lastResidueParent = *_system->getAtom( p_range.getLast() )->getConstResiduePtr(); const size_t lastResidueIndex = lastResidueParent.getIndex(); if ( !_atomIds.intersectWith( AtomIndexRange::createFirstLast( @@ -837,76 +832,76 @@ namespace VTX::App::Application::Selection _localAABB.invalidate(); } - Util::Math::AABB MoleculeData::getAABB() const + Util::Math::AABB SystemData::getAABB() const { if ( !_localAABB.isValid() ) _recomputeAABB(); const Util::Math::Transform & transform - = ECS_REGISTRY().getComponent( *_molecule ).getTransform(); + = ECS_REGISTRY().getComponent( *_system ).getTransform(); return Helper::Math::applyTransformOnAABB( _localAABB, transform ); } - void MoleculeData::_recomputeAABB() const + void SystemData::_recomputeAABB() const { _localAABB.invalidate(); for ( const atom_index_t atomId : _atomIds ) { - const Component::Chemistry::Atom * const atomPtr = _molecule->getAtom( atomId ); + const Component::Chemistry::Atom * const atomPtr = _system->getAtom( atomId ); _localAABB.extend( atomPtr->getLocalPosition(), atomPtr->getVdwRadius() ); } } - Molecule & MoleculeData::getCurrentObjectAsMolecule() const + Component::Chemistry::System & SystemData::getCurrentObjectAsSystem() const { - assert( _currentObjectType == CurrentObjectTypeEnum::Molecule ); - return *_molecule; + assert( _currentObjectType == CurrentObjectTypeEnum::System ); + return *_system; } - Chain & MoleculeData::getCurrentObjectAsChain() const + Chain & SystemData::getCurrentObjectAsChain() const { assert( _currentObjectType == CurrentObjectTypeEnum::Chain ); - return *_molecule->getChain( _currentObjectIndex ); + return *_system->getChain( _currentObjectIndex ); } - Residue & MoleculeData::getCurrentObjectAsResidue() const + Residue & SystemData::getCurrentObjectAsResidue() const { assert( _currentObjectType == CurrentObjectTypeEnum::Residue ); - return *_molecule->getResidue( _currentObjectIndex ); + return *_system->getResidue( _currentObjectIndex ); } - Atom & MoleculeData::getCurrentObjectAsAtom() const + Atom & SystemData::getCurrentObjectAsAtom() const { assert( _currentObjectType == CurrentObjectTypeEnum::Atom ); - return *_molecule->getAtom( atom_index_t( _currentObjectIndex ) ); + return *_system->getAtom( atom_index_t( _currentObjectIndex ) ); } - void MoleculeData::setCurrentObject( const Molecule & p_molecule ) + void SystemData::setCurrentObject( const Component::Chemistry::System & p_system ) { - _currentObjectType = CurrentObjectTypeEnum::Molecule; + _currentObjectType = CurrentObjectTypeEnum::System; } - void MoleculeData::setCurrentObject( const Chain & p_chain ) + void SystemData::setCurrentObject( const Chain & p_chain ) { _currentObjectIndex = p_chain.getIndex(); _currentObjectType = CurrentObjectTypeEnum::Chain; } - void MoleculeData::setCurrentObject( const Residue & p_residue ) + void SystemData::setCurrentObject( const Residue & p_residue ) { _currentObjectIndex = p_residue.getIndex(); _currentObjectType = CurrentObjectTypeEnum::Residue; } - void MoleculeData::setCurrentObject( const Atom & p_atom ) + void SystemData::setCurrentObject( const Atom & p_atom ) { _currentObjectIndex = p_atom.getIndex(); _currentObjectType = CurrentObjectTypeEnum::Atom; } - void MoleculeData::_refreshCurrentObject() + void SystemData::_refreshCurrentObject() { bool currentObjectAsChange = false; switch ( _currentObjectType ) { - case CurrentObjectTypeEnum::Molecule: break; + case CurrentObjectTypeEnum::System: break; case CurrentObjectTypeEnum::Chain: currentObjectAsChange = !isChainSelected( _currentObjectIndex ); break; case CurrentObjectTypeEnum::Residue: currentObjectAsChange = !isResidueSelected( _currentObjectIndex ); break; case CurrentObjectTypeEnum::Atom: @@ -921,19 +916,19 @@ namespace VTX::App::Application::Selection } } - std::string MoleculeData::toString() const + std::string SystemData::toString() const { std::stringstream sStr = std::stringstream(); const int maxItemDisplayed = 20; sStr << SelectionData::toString() << std::endl; - sStr << "Chains (" << _chainIds.count() << '/' << _molecule->getChains().size() << ")" << std::endl; + sStr << "Chains (" << _chainIds.count() << '/' << _system->getChains().size() << ")" << std::endl; int counter = 0; for ( const size_t chainId : _chainIds ) { - const Chain & chain = *_molecule->getChain( chainId ); + const Chain & chain = *_system->getChain( chainId ); sStr << chain.getName() << '(' << chainId << "),"; counter++; @@ -947,10 +942,10 @@ namespace VTX::App::Application::Selection sStr << std::endl << std::endl; counter = 0; - sStr << "Residues (" << _residueIds.count() << '/' << _molecule->getResidues().size() << ")" << std::endl; + sStr << "Residues (" << _residueIds.count() << '/' << _system->getResidues().size() << ")" << std::endl; for ( const size_t residueId : _residueIds ) { - const Residue & residue = *_molecule->getResidue( residueId ); + const Residue & residue = *_system->getResidue( residueId ); sStr << residue.getName() << '(' << residueId << "),"; counter++; @@ -964,10 +959,10 @@ namespace VTX::App::Application::Selection sStr << std::endl << std::endl; counter = 0; - sStr << "Atoms (" << _atomIds.count() << '/' << _molecule->getAtoms().size() << ")" << std::endl; + sStr << "Atoms (" << _atomIds.count() << '/' << _system->getAtoms().size() << ")" << std::endl; for ( const atom_index_t atomId : _atomIds ) { - const Atom & atom = *_molecule->getAtom( atomId ); + const Atom & atom = *_system->getAtom( atomId ); sStr << atom.getName() << '(' << atomId << "),"; counter++; diff --git a/lib/app/src/app/application/selection/molecule_granularity.cpp b/lib/app/src/app/application/selection/system_granularity.cpp similarity index 65% rename from lib/app/src/app/application/selection/molecule_granularity.cpp rename to lib/app/src/app/application/selection/system_granularity.cpp index f1396969f..6e4d55920 100644 --- a/lib/app/src/app/application/selection/molecule_granularity.cpp +++ b/lib/app/src/app/application/selection/system_granularity.cpp @@ -1,21 +1,21 @@ -#include "app/application/selection/molecule_granularity.hpp" +#include "app/application/selection/system_granularity.hpp" #include "app/action/selection.hpp" #include "app/application/selection/selection_manager.hpp" #include "app/component/chemistry/atom.hpp" #include "app/component/chemistry/chain.hpp" -#include "app/component/chemistry/molecule.hpp" #include "app/component/chemistry/residue.hpp" +#include "app/component/chemistry/system.hpp" #include "app/component/scene/selectable.hpp" #include "app/core/action/action_system.hpp" #include "app/vtx_app.hpp" namespace VTX::App::Application::Selection { - MoleculeData MoleculeGranularity::getSelectionData( const Atom & p_atom, const Granularity & p_granularity ) + SystemData SystemGranularity::getSelectionData( const Atom & p_atom, const Granularity & p_granularity ) { const auto & molSelectable - = ECS_REGISTRY().getComponent( *p_atom.getMoleculePtr() ); - auto molData = MoleculeData( molSelectable ); + = ECS_REGISTRY().getComponent( *p_atom.getSystemPtr() ); + auto molData = SystemData( molSelectable ); molData.clear(); switch ( p_granularity ) @@ -29,11 +29,11 @@ namespace VTX::App::Application::Selection return molData; } - MoleculeData MoleculeGranularity::getSelectionData( const Residue & p_residue, const Granularity & p_granularity ) + SystemData SystemGranularity::getSelectionData( const Residue & p_residue, const Granularity & p_granularity ) { const auto & molSelectable - = ECS_REGISTRY().getComponent( *p_residue.getMoleculePtr() ); - MoleculeData molData = MoleculeData( molSelectable ); + = ECS_REGISTRY().getComponent( *p_residue.getSystemPtr() ); + SystemData molData = SystemData( molSelectable ); molData.clear(); switch ( p_granularity ) @@ -47,11 +47,11 @@ namespace VTX::App::Application::Selection return molData; } - MoleculeData MoleculeGranularity::getSelectionData( const Chain & p_chain, const Granularity & p_granularity ) + SystemData SystemGranularity::getSelectionData( const Chain & p_chain, const Granularity & p_granularity ) { const auto & molSelectable - = ECS_REGISTRY().getComponent( *p_chain.getMoleculePtr() ); - MoleculeData molData = MoleculeData( molSelectable ); + = ECS_REGISTRY().getComponent( *p_chain.getSystemPtr() ); + SystemData molData = SystemData( molSelectable ); molData.clear(); switch ( p_granularity ) @@ -66,71 +66,71 @@ namespace VTX::App::Application::Selection return molData; } - void MoleculeGranularity::select( + void SystemGranularity::select( const Atom & p_atom, const Granularity & p_granularity, const AssignmentType p_assignment ) { const auto & molSelectable - = ECS_REGISTRY().getComponent( *p_atom.getMoleculePtr() ); + = ECS_REGISTRY().getComponent( *p_atom.getSystemPtr() ); - const MoleculeData molData = getSelectionData( p_atom, p_granularity ); + const SystemData molData = getSelectionData( p_atom, p_granularity ); ACTION_SYSTEM().execute( molData, p_assignment ); } - void MoleculeGranularity::unselect( const Atom & p_atom, const Granularity & p_granularity ) + void SystemGranularity::unselect( const Atom & p_atom, const Granularity & p_granularity ) { const auto & molSelectable - = ECS_REGISTRY().getComponent( *p_atom.getMoleculePtr() ); + = ECS_REGISTRY().getComponent( *p_atom.getSystemPtr() ); - const MoleculeData molData = getSelectionData( p_atom, p_granularity ); + const SystemData molData = getSelectionData( p_atom, p_granularity ); ACTION_SYSTEM().execute( molData ); } - void MoleculeGranularity::select( + void SystemGranularity::select( const Residue & p_residue, const Granularity & p_granularity, const AssignmentType p_assignment ) { const auto & molSelectable - = ECS_REGISTRY().getComponent( *p_residue.getMoleculePtr() ); + = ECS_REGISTRY().getComponent( *p_residue.getSystemPtr() ); - const MoleculeData molData = getSelectionData( p_residue, p_granularity ); + const SystemData molData = getSelectionData( p_residue, p_granularity ); ACTION_SYSTEM().execute( molData, p_assignment ); } - void MoleculeGranularity::unselect( const Residue & p_residue, const Granularity & p_granularity ) + void SystemGranularity::unselect( const Residue & p_residue, const Granularity & p_granularity ) { const auto & molSelectable - = ECS_REGISTRY().getComponent( *p_residue.getMoleculePtr() ); + = ECS_REGISTRY().getComponent( *p_residue.getSystemPtr() ); - const MoleculeData molData = getSelectionData( p_residue, p_granularity ); + const SystemData molData = getSelectionData( p_residue, p_granularity ); ACTION_SYSTEM().execute( molData ); } - void MoleculeGranularity::select( + void SystemGranularity::select( const Chain & p_chain, const Granularity & p_granularity, const AssignmentType p_assignment ) { const auto & molSelectable - = ECS_REGISTRY().getComponent( *p_chain.getMoleculePtr() ); + = ECS_REGISTRY().getComponent( *p_chain.getSystemPtr() ); - const MoleculeData molData = getSelectionData( p_chain, p_granularity ); + const SystemData molData = getSelectionData( p_chain, p_granularity ); ACTION_SYSTEM().execute( molData, p_assignment ); } - void MoleculeGranularity::unselect( const Chain & p_chain, const Granularity & p_granularity ) + void SystemGranularity::unselect( const Chain & p_chain, const Granularity & p_granularity ) { const auto & molSelectable - = ECS_REGISTRY().getComponent( *p_chain.getMoleculePtr() ); + = ECS_REGISTRY().getComponent( *p_chain.getSystemPtr() ); - const MoleculeData molData = getSelectionData( p_chain, p_granularity ); + const SystemData molData = getSelectionData( p_chain, p_granularity ); ACTION_SYSTEM().execute( molData ); } diff --git a/lib/app/src/app/component/chemistry/atom.cpp b/lib/app/src/app/component/chemistry/atom.cpp index 9f7f3e815..f1e0d3a1b 100644 --- a/lib/app/src/app/component/chemistry/atom.cpp +++ b/lib/app/src/app/component/chemistry/atom.cpp @@ -1,65 +1,65 @@ #include "app/component/chemistry/atom.hpp" #include "app/component/chemistry/chain.hpp" -#include "app/component/chemistry/molecule.hpp" #include "app/component/chemistry/residue.hpp" +#include "app/component/chemistry/system.hpp" #include namespace VTX::App::Component::Chemistry { - Atom::Atom( Residue * const p_residue ) : Atom( p_residue->getMoleculePtr() ) {}; + Atom::Atom( Residue * const p_residue ) : Atom( p_residue->getSystemPtr() ) {}; Residue * Atom::getResiduePtr() const { - return _moleculePtr->getResidue( _moleculePtr->_moleculeStruct.atomResidueIndexes[ _index ] ); + return _systemPtr->getResidue( _systemPtr->_systemStruct.atomResidueIndexes[ _index ] ); } const Residue * Atom::getConstResiduePtr() const { - return _moleculePtr->getResidue( _moleculePtr->_moleculeStruct.atomResidueIndexes[ _index ] ); + return _systemPtr->getResidue( _systemPtr->_systemStruct.atomResidueIndexes[ _index ] ); } void Atom::setResiduePtr( Residue * p_residue ) { - _moleculePtr->_moleculeStruct.atomResidueIndexes[ _index ] = p_residue->getIndex(); + _systemPtr->_systemStruct.atomResidueIndexes[ _index ] = p_residue->getIndex(); } Chain * Atom::getChainPtr() const { return getResiduePtr()->getChainPtr(); } const Chain * Atom::getConstChainPtr() const { return getConstResiduePtr()->getConstChainPtr(); } - const std::string & Atom::getName() const { return _moleculePtr->_moleculeStruct.atomNames[ _index ]; } - void Atom::setName( const std::string & p_name ) { _moleculePtr->_moleculeStruct.atomNames[ _index ] = p_name; } + const std::string & Atom::getName() const { return _systemPtr->_systemStruct.atomNames[ _index ]; } + void Atom::setName( const std::string & p_name ) { _systemPtr->_systemStruct.atomNames[ _index ] = p_name; } float Atom::getVdwRadius() const { - return ChemDB::Atom::SYMBOL_VDW_RADIUS[ int( _moleculePtr->_moleculeStruct.atomSymbols[ _index ] ) ]; + return ChemDB::Atom::SYMBOL_VDW_RADIUS[ int( _systemPtr->_systemStruct.atomSymbols[ _index ] ) ]; } const Vec3f & Atom::getLocalPosition() const { - return getLocalPosition( _moleculePtr->_moleculeStruct.trajectory.currentFrameIndex ); + return getLocalPosition( _systemPtr->_systemStruct.trajectory.currentFrameIndex ); } const Vec3f & Atom::getLocalPosition( const size_t & p_frameIndex ) const { - return _moleculePtr->getTrajectory().frames[ p_frameIndex ][ _index ]; + return _systemPtr->getTrajectory().frames[ p_frameIndex ][ _index ]; } Vec3f Atom::getWorldPosition() const { - return Vec3f( Vec4f( getLocalPosition(), 0 ) * _moleculePtr->getTransform().get() ); + return Vec3f( Vec4f( getLocalPosition(), 0 ) * _systemPtr->getTransform().get() ); } Vec3f Atom::getWorldPosition( const size_t & p_frameIndex ) const { - return Vec3f( Vec4f( getLocalPosition( p_frameIndex ), 0 ) * _moleculePtr->getTransform().get() ); + return Vec3f( Vec4f( getLocalPosition( p_frameIndex ), 0 ) * _systemPtr->getTransform().get() ); } - const ChemDB::Atom::SYMBOL & Atom::getSymbol() const { return _moleculePtr->_moleculeStruct.atomSymbols[ _index ]; } + const ChemDB::Atom::SYMBOL & Atom::getSymbol() const { return _systemPtr->_systemStruct.atomSymbols[ _index ]; } void Atom::setSymbol( const ChemDB::Atom::SYMBOL & p_symbol ) { - _moleculePtr->_moleculeStruct.atomSymbols[ _index ] = p_symbol; + _systemPtr->_systemStruct.atomSymbols[ _index ] = p_symbol; } ChemDB::Atom::TYPE Atom::getType() const { - if ( _moleculePtr->_moleculeStruct.atomSolvents.contains( atom_index_t( _index ) ) ) + if ( _systemPtr->_systemStruct.atomSolvents.contains( atom_index_t( _index ) ) ) return ChemDB::Atom::TYPE::SOLVENT; - else if ( _moleculePtr->_moleculeStruct.atomIons.contains( atom_index_t( _index ) ) ) + else if ( _systemPtr->_systemStruct.atomIons.contains( atom_index_t( _index ) ) ) return ChemDB::Atom::TYPE::ION; return ChemDB::Atom::TYPE::NORMAL; @@ -69,22 +69,22 @@ namespace VTX::App::Component::Chemistry switch ( p_type ) { case ChemDB::Atom::TYPE::SOLVENT: - _moleculePtr->_moleculeStruct.atomSolvents.addValue( atom_index_t( _index ) ); - _moleculePtr->_moleculeStruct.atomIons.removeValue( atom_index_t( _index ) ); + _systemPtr->_systemStruct.atomSolvents.addValue( atom_index_t( _index ) ); + _systemPtr->_systemStruct.atomIons.removeValue( atom_index_t( _index ) ); break; case ChemDB::Atom::TYPE::ION: - _moleculePtr->_moleculeStruct.atomSolvents.removeValue( atom_index_t( _index ) ); - _moleculePtr->_moleculeStruct.atomIons.addValue( atom_index_t( _index ) ); + _systemPtr->_systemStruct.atomSolvents.removeValue( atom_index_t( _index ) ); + _systemPtr->_systemStruct.atomIons.addValue( atom_index_t( _index ) ); break; case ChemDB::Atom::TYPE::NORMAL: - _moleculePtr->_moleculeStruct.atomSolvents.removeValue( atom_index_t( _index ) ); - _moleculePtr->_moleculeStruct.atomIons.removeValue( atom_index_t( _index ) ); + _systemPtr->_systemStruct.atomSolvents.removeValue( atom_index_t( _index ) ); + _systemPtr->_systemStruct.atomIons.removeValue( atom_index_t( _index ) ); break; } } - bool Atom::isVisible() const { return _moleculePtr->_visibleAtomIds.contains( _index ); } - void Atom::setVisible( const bool p_visible ) { _moleculePtr->setVisible( _index, p_visible ); } + bool Atom::isVisible() const { return _systemPtr->_visibleAtomIds.contains( _index ); } + void Atom::setVisible( const bool p_visible ) { _systemPtr->setVisible( _index, p_visible ); } - void Atom::remove() { _moleculePtr->remove( _index ); } + void Atom::remove() { _systemPtr->remove( _index ); } } // namespace VTX::App::Component::Chemistry diff --git a/lib/app/src/app/component/chemistry/bond.cpp b/lib/app/src/app/component/chemistry/bond.cpp index b8e4c09c8..d8f9d1c30 100644 --- a/lib/app/src/app/component/chemistry/bond.cpp +++ b/lib/app/src/app/component/chemistry/bond.cpp @@ -1,30 +1,30 @@ #include "app/component/chemistry/bond.hpp" #include "app/component/chemistry/atom.hpp" -#include "app/component/chemistry/molecule.hpp" +#include "app/component/chemistry/system.hpp" namespace VTX::App::Component::Chemistry { atom_index_t Bond::getIndexFirstAtom() const { - return _moleculePtr->_moleculeStruct.bondPairAtomIndexes[ _index * 2 ]; + return _systemPtr->_systemStruct.bondPairAtomIndexes[ _index * 2 ]; } void Bond::setIndexFirstAtom( const atom_index_t p_atomIndex ) { - _moleculePtr->_moleculeStruct.bondPairAtomIndexes[ _index * 2 ] = p_atomIndex; + _systemPtr->_systemStruct.bondPairAtomIndexes[ _index * 2 ] = p_atomIndex; } atom_index_t Bond::getIndexSecondAtom() const { - return _moleculePtr->_moleculeStruct.bondPairAtomIndexes[ _index * 2 + 1 ]; + return _systemPtr->_systemStruct.bondPairAtomIndexes[ _index * 2 + 1 ]; } void Bond::setIndexSecondAtom( const atom_index_t p_atomIndex ) { - _moleculePtr->_moleculeStruct.bondPairAtomIndexes[ _index * 2 + 1 ] = p_atomIndex; + _systemPtr->_systemStruct.bondPairAtomIndexes[ _index * 2 + 1 ] = p_atomIndex; } bool Bond::isVisible() const { - const Chemistry::Atom * const atom1 = _moleculePtr->getAtom( getIndexFirstAtom() ); - const Chemistry::Atom * const atom2 = _moleculePtr->getAtom( getIndexSecondAtom() ); + const Chemistry::Atom * const atom1 = _systemPtr->getAtom( getIndexFirstAtom() ); + const Chemistry::Atom * const atom2 = _systemPtr->getAtom( getIndexSecondAtom() ); return atom1 != nullptr && atom1->isVisible() && atom2 != nullptr && atom2->isVisible(); } @@ -35,6 +35,6 @@ namespace VTX::App::Component::Chemistry atomRange.addValue( getIndexFirstAtom() ); atomRange.addValue( getIndexSecondAtom() ); - _moleculePtr->setVisible( atomRange, p_visible ); + _systemPtr->setVisible( atomRange, p_visible ); } } // namespace VTX::App::Component::Chemistry diff --git a/lib/app/src/app/component/chemistry/chain.cpp b/lib/app/src/app/component/chemistry/chain.cpp index 41beab52d..1827f061a 100644 --- a/lib/app/src/app/component/chemistry/chain.cpp +++ b/lib/app/src/app/component/chemistry/chain.cpp @@ -1,42 +1,42 @@ #include "app/component/chemistry/chain.hpp" -#include "app/component/chemistry/molecule.hpp" #include "app/component/chemistry/residue.hpp" +#include "app/component/chemistry/system.hpp" namespace VTX::App::Component::Chemistry { Chain::Chain() {} - Chain::Chain( Molecule * const p_moleculePtr, const size_t p_index ) : - _moleculePtr( p_moleculePtr ), _index( p_index ) {}; + Chain::Chain( System * const p_systemPtr, const size_t p_index ) : + _systemPtr( p_systemPtr ), _index( p_index ) {}; - const std::string & Chain::getName() const { return _moleculePtr->_moleculeStruct.chainNames[ _index ]; } - void Chain::setName( const std::string & p_name ) { _moleculePtr->_moleculeStruct.chainNames[ _index ] = p_name; } + const std::string & Chain::getName() const { return _systemPtr->_systemStruct.chainNames[ _index ]; } + void Chain::setName( const std::string & p_name ) { _systemPtr->_systemStruct.chainNames[ _index ] = p_name; } - size_t Chain::getIndexFirstResidue() const { return _moleculePtr->_moleculeStruct.chainFirstResidues[ _index ]; } + size_t Chain::getIndexFirstResidue() const { return _systemPtr->_systemStruct.chainFirstResidues[ _index ]; } size_t Chain::getIndexLastResidue() const { - return _moleculePtr->_moleculeStruct.chainFirstResidues[ _index ] + getResidueCount() - 1; + return _systemPtr->_systemStruct.chainFirstResidues[ _index ] + getResidueCount() - 1; } void Chain::setIndexFirstResidue( const size_t p_residueIndex ) { - _moleculePtr->_moleculeStruct.chainFirstResidues[ _index ] = p_residueIndex; + _systemPtr->_systemStruct.chainFirstResidues[ _index ] = p_residueIndex; } - size_t Chain::getResidueCount() const { return _moleculePtr->_moleculeStruct.chainResidueCounts[ _index ]; } + size_t Chain::getResidueCount() const { return _systemPtr->_systemStruct.chainResidueCounts[ _index ]; } void Chain::setResidueCount( const size_t p_residueCount ) { - _moleculePtr->_moleculeStruct.chainResidueCounts[ _index ] = p_residueCount; + _systemPtr->_systemStruct.chainResidueCounts[ _index ] = p_residueCount; } atom_index_t Chain::getIndexFirstAtom() const { - const Residue * const firstResidue = _moleculePtr->getResidue( getIndexFirstResidue() ); + const Residue * const firstResidue = _systemPtr->getResidue( getIndexFirstResidue() ); return firstResidue->getIndexFirstAtom(); } atom_index_t Chain::getIndexLastAtom() const { - const Residue * const lastResidue = _moleculePtr->getResidue( getIndexLastResidue() ); + const Residue * const lastResidue = _systemPtr->getResidue( getIndexLastResidue() ); return lastResidue->getIndexLastAtom(); } @@ -51,36 +51,36 @@ namespace VTX::App::Component::Chemistry Iterator::ResidueContainer Chain::residues() const { - return Iterator::ResidueContainer( _moleculePtr, getIndexFirstResidue(), getResidueCount() ); + return Iterator::ResidueContainer( _systemPtr, getIndexFirstResidue(), getResidueCount() ); } Iterator::AtomContainer Chain::atoms() const { const atom_index_t atomCount = getIndexLastAtom() - getIndexFirstAtom() + 1; - return Iterator::AtomContainer( _moleculePtr, getIndexFirstAtom(), atomCount ); + return Iterator::AtomContainer( _systemPtr, getIndexFirstAtom(), atomCount ); } bool Chain::isVisible() const { const AtomIndexRange atomRange = AtomIndexRange::createFirstLast( getIndexFirstAtom(), getIndexLastAtom() ); - return _moleculePtr->_visibleAtomIds.intersectWith( atomRange ); + return _systemPtr->_visibleAtomIds.intersectWith( atomRange ); } bool Chain::isFullyVisible() const { const AtomIndexRange atomRange = AtomIndexRange::createFirstLast( getIndexFirstAtom(), getIndexLastAtom() ); - return _moleculePtr->_visibleAtomIds.contains( atomRange ); + return _systemPtr->_visibleAtomIds.contains( atomRange ); } void Chain::setVisible( const bool p_visible ) { const AtomIndexRange atomRange = AtomIndexRange::createFirstLast( getIndexFirstAtom(), getIndexLastAtom() ); - _moleculePtr->setVisible( atomRange, p_visible ); + _systemPtr->setVisible( atomRange, p_visible ); } void Chain::remove() { const AtomIndexRange atomRange = AtomIndexRange::createFirstLast( getIndexFirstAtom(), getIndexLastAtom() ); - _moleculePtr->remove( atomRange ); + _systemPtr->remove( atomRange ); } } // namespace VTX::App::Component::Chemistry diff --git a/lib/app/src/app/component/chemistry/iterator/atom.cpp b/lib/app/src/app/component/chemistry/iterator/atom.cpp index 87d2be2f3..b14618d0b 100644 --- a/lib/app/src/app/component/chemistry/iterator/atom.cpp +++ b/lib/app/src/app/component/chemistry/iterator/atom.cpp @@ -1,16 +1,16 @@ #include "app/component/chemistry/iterator/atom.hpp" -#include "app/component/chemistry/molecule.hpp" +#include "app/component/chemistry/system.hpp" namespace VTX::App::Component::Chemistry::Iterator { - AtomContainer::AtomIt::AtomIt( Molecule * const p_molecule, const atom_index_t p_index, const atom_index_t p_end ) : - _molecule( p_molecule ), _index( p_index ), _end( p_end ) + AtomContainer::AtomIt::AtomIt( System * const p_system, const atom_index_t p_index, const atom_index_t p_end ) : + _system( p_system ), _index( p_index ), _end( p_end ) { _getValid(); } - Atom & AtomContainer::AtomIt::operator*() const { return *( _molecule->getAtom( _index ) ); } - Atom * AtomContainer::AtomIt::operator->() { return _molecule->getAtom( _index ); } + Atom & AtomContainer::AtomIt::operator*() const { return *( _system->getAtom( _index ) ); } + Atom * AtomContainer::AtomIt::operator->() { return _system->getAtom( _index ); } // Prefix increment AtomContainer::AtomIt & AtomContainer::AtomIt::operator++() @@ -24,7 +24,7 @@ namespace VTX::App::Component::Chemistry::Iterator // Postfix increment AtomContainer::AtomIt AtomContainer::AtomIt::operator++( int ) { - AtomIt tmp = AtomIt( _molecule, _index, _end ); + AtomIt tmp = AtomIt( _system, _index, _end ); _index++; _getValid(); @@ -34,37 +34,35 @@ namespace VTX::App::Component::Chemistry::Iterator bool operator==( const AtomContainer::AtomIt & a, const AtomContainer::AtomIt & b ) { - return a._molecule == b._molecule && a._index == b._index; + return a._system == b._system && a._index == b._index; } bool operator!=( const AtomContainer::AtomIt & a, const AtomContainer::AtomIt & b ) { - return a._molecule != b._molecule || a._index != b._index; + return a._system != b._system || a._index != b._index; } void AtomContainer::AtomIt::_getValid() { - while ( _index != _end && _molecule->getAtom( _index ) == nullptr ) + while ( _index != _end && _system->getAtom( _index ) == nullptr ) { _index++; } } AtomContainer::AtomContainer( - Molecule * const p_molecule, + System * const p_system, const atom_index_t p_firstAtomIndex, const atom_index_t p_atomCount - ) : - _molecule( p_molecule ), - _firstAtomIndex( p_firstAtomIndex ), _atomCount( p_atomCount ) + ) : _system( p_system ), _firstAtomIndex( p_firstAtomIndex ), _atomCount( p_atomCount ) { } AtomContainer::AtomIt AtomContainer::begin() { - return AtomContainer::AtomIt( _molecule, _firstAtomIndex, _firstAtomIndex + _atomCount ); + return AtomContainer::AtomIt( _system, _firstAtomIndex, _firstAtomIndex + _atomCount ); } AtomContainer::AtomIt AtomContainer::end() { - return AtomContainer::AtomIt( _molecule, _firstAtomIndex + _atomCount, _firstAtomIndex + _atomCount ); + return AtomContainer::AtomIt( _system, _firstAtomIndex + _atomCount, _firstAtomIndex + _atomCount ); } } // namespace VTX::App::Component::Chemistry::Iterator diff --git a/lib/app/src/app/component/chemistry/iterator/chain.cpp b/lib/app/src/app/component/chemistry/iterator/chain.cpp index 0d98c44a9..6869bb8d6 100644 --- a/lib/app/src/app/component/chemistry/iterator/chain.cpp +++ b/lib/app/src/app/component/chemistry/iterator/chain.cpp @@ -1,16 +1,16 @@ #include "app/component/chemistry/iterator/chain.hpp" -#include "app/component/chemistry/molecule.hpp" +#include "app/component/chemistry/system.hpp" namespace VTX::App::Component::Chemistry::Iterator { - ChainContainer::ChainIt::ChainIt( Molecule * const p_molecule, const size_t p_index, const size_t p_end ) : - _molecule( p_molecule ), _index( p_index ), _end( p_end ) + ChainContainer::ChainIt::ChainIt( System * const p_system, const size_t p_index, const size_t p_end ) : + _system( p_system ), _index( p_index ), _end( p_end ) { _getValid(); } - Chain & ChainContainer::ChainIt::operator*() const { return *( _molecule->getChain( _index ) ); } - Chain * ChainContainer::ChainIt::operator->() { return _molecule->getChain( _index ); } + Chain & ChainContainer::ChainIt::operator*() const { return *( _system->getChain( _index ) ); } + Chain * ChainContainer::ChainIt::operator->() { return _system->getChain( _index ); } // Prefix increment ChainContainer::ChainIt & ChainContainer::ChainIt::operator++() @@ -24,7 +24,7 @@ namespace VTX::App::Component::Chemistry::Iterator // Postfix increment ChainContainer::ChainIt ChainContainer::ChainIt::operator++( int ) { - ChainIt tmp = ChainIt( _molecule, _index, _end ); + ChainIt tmp = ChainIt( _system, _index, _end ); _index++; _getValid(); @@ -34,37 +34,35 @@ namespace VTX::App::Component::Chemistry::Iterator bool operator==( const ChainContainer::ChainIt & a, const ChainContainer::ChainIt & b ) { - return a._molecule == b._molecule && a._index == b._index; + return a._system == b._system && a._index == b._index; } bool operator!=( const ChainContainer::ChainIt & a, const ChainContainer::ChainIt & b ) { - return a._molecule != b._molecule || a._index != b._index; + return a._system != b._system || a._index != b._index; } void ChainContainer::ChainIt::_getValid() { - while ( _index != _end && _molecule->getChain( _index ) == nullptr ) + while ( _index != _end && _system->getChain( _index ) == nullptr ) { _index++; } } ChainContainer::ChainContainer( - Molecule * const p_molecule, - const size_t p_firstChainIndex, - const size_t p_ChainCount - ) : - _molecule( p_molecule ), - _firstChainIndex( p_firstChainIndex ), _chainCount( p_ChainCount ) + System * const p_system, + const size_t p_firstChainIndex, + const size_t p_ChainCount + ) : _system( p_system ), _firstChainIndex( p_firstChainIndex ), _chainCount( p_ChainCount ) { } ChainContainer::ChainIt ChainContainer::begin() { - return ChainContainer::ChainIt( _molecule, _firstChainIndex, _firstChainIndex + _chainCount ); + return ChainContainer::ChainIt( _system, _firstChainIndex, _firstChainIndex + _chainCount ); } ChainContainer::ChainIt ChainContainer::end() { - return ChainContainer::ChainIt( _molecule, _firstChainIndex + _chainCount, _firstChainIndex + _chainCount ); + return ChainContainer::ChainIt( _system, _firstChainIndex + _chainCount, _firstChainIndex + _chainCount ); } } // namespace VTX::App::Component::Chemistry::Iterator diff --git a/lib/app/src/app/component/chemistry/iterator/residue.cpp b/lib/app/src/app/component/chemistry/iterator/residue.cpp index 7500e46d3..8af628fe0 100644 --- a/lib/app/src/app/component/chemistry/iterator/residue.cpp +++ b/lib/app/src/app/component/chemistry/iterator/residue.cpp @@ -1,16 +1,16 @@ #include "app/component/chemistry/iterator/residue.hpp" -#include "app/component/chemistry/molecule.hpp" +#include "app/component/chemistry/system.hpp" namespace VTX::App::Component::Chemistry::Iterator { - ResidueContainer::ResidueIt::ResidueIt( Molecule * const p_molecule, const size_t p_index, const size_t p_end ) : - _molecule( p_molecule ), _index( p_index ), _end( p_end ) + ResidueContainer::ResidueIt::ResidueIt( System * const p_system, const size_t p_index, const size_t p_end ) : + _system( p_system ), _index( p_index ), _end( p_end ) { _getValid(); } - Residue & ResidueContainer::ResidueIt::operator*() const { return *( _molecule->getResidue( _index ) ); } - Residue * ResidueContainer::ResidueIt::operator->() { return _molecule->getResidue( _index ); } + Residue & ResidueContainer::ResidueIt::operator*() const { return *( _system->getResidue( _index ) ); } + Residue * ResidueContainer::ResidueIt::operator->() { return _system->getResidue( _index ); } // Prefix increment ResidueContainer::ResidueIt & ResidueContainer::ResidueIt::operator++() @@ -24,7 +24,7 @@ namespace VTX::App::Component::Chemistry::Iterator // Postfix increment ResidueContainer::ResidueIt ResidueContainer::ResidueIt::operator++( int ) { - ResidueIt tmp = ResidueIt( _molecule, _index, _end ); + ResidueIt tmp = ResidueIt( _system, _index, _end ); _index++; _getValid(); @@ -34,39 +34,37 @@ namespace VTX::App::Component::Chemistry::Iterator bool operator==( const ResidueContainer::ResidueIt & a, const ResidueContainer::ResidueIt & b ) { - return a._molecule == b._molecule && a._index == b._index; + return a._system == b._system && a._index == b._index; } bool operator!=( const ResidueContainer::ResidueIt & a, const ResidueContainer::ResidueIt & b ) { - return a._molecule != b._molecule || a._index != b._index; + return a._system != b._system || a._index != b._index; } void ResidueContainer::ResidueIt::_getValid() { - while ( _index != _end && _molecule->getResidue( _index ) == nullptr ) + while ( _index != _end && _system->getResidue( _index ) == nullptr ) { _index++; } } ResidueContainer::ResidueContainer( - Molecule * const p_molecule, - const size_t p_firstResidueIndex, - const size_t p_residueCount - ) : - _molecule( p_molecule ), - _firstResidueIndex( p_firstResidueIndex ), _residueCount( p_residueCount ) + System * const p_system, + const size_t p_firstResidueIndex, + const size_t p_residueCount + ) : _system( p_system ), _firstResidueIndex( p_firstResidueIndex ), _residueCount( p_residueCount ) { } ResidueContainer::ResidueIt ResidueContainer::begin() { - return ResidueContainer::ResidueIt( _molecule, _firstResidueIndex, _firstResidueIndex + _residueCount ); + return ResidueContainer::ResidueIt( _system, _firstResidueIndex, _firstResidueIndex + _residueCount ); } ResidueContainer::ResidueIt ResidueContainer::end() { return ResidueContainer::ResidueIt( - _molecule, _firstResidueIndex + _residueCount, _firstResidueIndex + _residueCount + _system, _firstResidueIndex + _residueCount, _firstResidueIndex + _residueCount ); } } // namespace VTX::App::Component::Chemistry::Iterator diff --git a/lib/app/src/app/component/chemistry/residue.cpp b/lib/app/src/app/component/chemistry/residue.cpp index 30b2b5378..dd3fd983d 100644 --- a/lib/app/src/app/component/chemistry/residue.cpp +++ b/lib/app/src/app/component/chemistry/residue.cpp @@ -1,70 +1,70 @@ #include "app/component/chemistry/residue.hpp" #include "app/component/chemistry/chain.hpp" -#include "app/component/chemistry/molecule.hpp" +#include "app/component/chemistry/system.hpp" #include namespace VTX::App::Component::Chemistry { const Chain * const Residue::getConstChainPtr() const { - return _moleculePtr->getChain( _moleculePtr->_moleculeStruct.residueChainIndexes[ _index ] ); + return _systemPtr->getChain( _systemPtr->_systemStruct.residueChainIndexes[ _index ] ); } Chain * const Residue::getChainPtr() const { - return _moleculePtr->getChain( _moleculePtr->_moleculeStruct.residueChainIndexes[ _index ] ); + return _systemPtr->getChain( _systemPtr->_systemStruct.residueChainIndexes[ _index ] ); } void Residue::setChainPtr( Chain * const p_chainPtr ) { - _moleculePtr->_moleculeStruct.residueChainIndexes[ _index ] = p_chainPtr->getIndex(); + _systemPtr->_systemStruct.residueChainIndexes[ _index ] = p_chainPtr->getIndex(); } atom_index_t Residue::getIndexFirstAtom() const { - return _moleculePtr->_moleculeStruct.residueFirstAtomIndexes[ _index ]; + return _systemPtr->_systemStruct.residueFirstAtomIndexes[ _index ]; } void Residue::setIndexFirstAtom( const atom_index_t p_indexFirstAtom ) { - _moleculePtr->_moleculeStruct.residueFirstAtomIndexes[ _index ] = atom_index_t( p_indexFirstAtom ); + _systemPtr->_systemStruct.residueFirstAtomIndexes[ _index ] = atom_index_t( p_indexFirstAtom ); } atom_index_t Residue::getIndexLastAtom() const { return getIndexFirstAtom() + getAtomCount() - 1; } - atom_index_t Residue::getAtomCount() const { return _moleculePtr->_moleculeStruct.residueAtomCounts[ _index ]; } + atom_index_t Residue::getAtomCount() const { return _systemPtr->_systemStruct.residueAtomCounts[ _index ]; } void Residue::setAtomCount( const atom_index_t p_atomCount ) { - _moleculePtr->_moleculeStruct.residueAtomCounts[ _index ] = p_atomCount; + _systemPtr->_systemStruct.residueAtomCounts[ _index ] = p_atomCount; } size_t Residue::getIndexFirstBond() const { - return _moleculePtr->_moleculeStruct.residueFirstBondIndexes[ _index ]; + return _systemPtr->_systemStruct.residueFirstBondIndexes[ _index ]; } void Residue::setIndexFirstBond( const size_t p_indexFirstBond ) { - _moleculePtr->_moleculeStruct.residueFirstBondIndexes[ _index ] = p_indexFirstBond; + _systemPtr->_systemStruct.residueFirstBondIndexes[ _index ] = p_indexFirstBond; } - size_t Residue::getBondCount() const { return _moleculePtr->_moleculeStruct.residueBondCounts[ _index ]; } + size_t Residue::getBondCount() const { return _systemPtr->_systemStruct.residueBondCounts[ _index ]; } void Residue::setBondCount( const size_t p_bondCount ) { - _moleculePtr->_moleculeStruct.residueBondCounts[ _index ] = p_bondCount; + _systemPtr->_systemStruct.residueBondCounts[ _index ] = p_bondCount; } ChemDB::Residue::SYMBOL Residue::getSymbol() const { - return _moleculePtr->_moleculeStruct.residueSymbols[ _index ]; + return _systemPtr->_systemStruct.residueSymbols[ _index ]; } void Residue::setSymbol( const ChemDB::Residue::SYMBOL p_symbol ) { - _moleculePtr->_moleculeStruct.residueSymbols[ _index ] = p_symbol; + _systemPtr->_systemStruct.residueSymbols[ _index ] = p_symbol; } size_t Residue::getIndexInOriginalChain() const { - return _moleculePtr->_moleculeStruct.residueOriginalIds[ _index ]; + return _systemPtr->_systemStruct.residueOriginalIds[ _index ]; } void Residue::setIndexInOriginalChain( const size_t p_index ) { - _moleculePtr->_moleculeStruct.residueOriginalIds[ _index ] = p_index; + _systemPtr->_systemStruct.residueOriginalIds[ _index ] = p_index; } const std::string_view Residue::getShortName() const @@ -72,7 +72,7 @@ namespace VTX::App::Component::Chemistry ChemDB::Residue::SYMBOL symbol = getSymbol(); if ( symbol == ChemDB::Residue::SYMBOL::UNKNOWN ) { - return _moleculePtr->_moleculeStruct.residueUnknownNames[ _index ]; + return _systemPtr->_systemStruct.residueUnknownNames[ _index ]; } else { @@ -84,7 +84,7 @@ namespace VTX::App::Component::Chemistry ChemDB::Residue::SYMBOL symbol = getSymbol(); if ( symbol == ChemDB::Residue::SYMBOL::UNKNOWN ) { - return _moleculePtr->_moleculeStruct.residueUnknownNames[ _index ]; + return _systemPtr->_systemStruct.residueUnknownNames[ _index ]; } else { @@ -97,7 +97,7 @@ namespace VTX::App::Component::Chemistry ChemDB::Residue::SYMBOL symbol = getSymbol(); if ( symbol == ChemDB::Residue::SYMBOL::UNKNOWN ) { - return _moleculePtr->_moleculeStruct.residueUnknownNames[ _index ]; + return _systemPtr->_systemStruct.residueUnknownNames[ _index ]; } else { @@ -110,9 +110,9 @@ namespace VTX::App::Component::Chemistry Util::Math::Range atomRange = Util::Math::Range( getIndexFirstAtom(), getAtomCount() ); - if ( _moleculePtr->_moleculeStruct.atomSolvents.contains( atomRange ) ) + if ( _systemPtr->_systemStruct.atomSolvents.contains( atomRange ) ) return ChemDB::Atom::TYPE::SOLVENT; - else if ( _moleculePtr->_moleculeStruct.atomIons.contains( atomRange ) ) + else if ( _systemPtr->_systemStruct.atomIons.contains( atomRange ) ) return ChemDB::Atom::TYPE::ION; return ChemDB::Atom::TYPE::NORMAL; @@ -125,16 +125,16 @@ namespace VTX::App::Component::Chemistry switch ( p_type ) { case ChemDB::Atom::TYPE::SOLVENT: - _moleculePtr->_moleculeStruct.atomSolvents.addRange( atomRange ); - _moleculePtr->_moleculeStruct.atomIons.removeRange( atomRange ); + _systemPtr->_systemStruct.atomSolvents.addRange( atomRange ); + _systemPtr->_systemStruct.atomIons.removeRange( atomRange ); break; case ChemDB::Atom::TYPE::ION: - _moleculePtr->_moleculeStruct.atomSolvents.removeRange( atomRange ); - _moleculePtr->_moleculeStruct.atomIons.addRange( atomRange ); + _systemPtr->_systemStruct.atomSolvents.removeRange( atomRange ); + _systemPtr->_systemStruct.atomIons.addRange( atomRange ); break; case ChemDB::Atom::TYPE::NORMAL: - _moleculePtr->_moleculeStruct.atomSolvents.removeRange( atomRange ); - _moleculePtr->_moleculeStruct.atomIons.removeRange( atomRange ); + _systemPtr->_systemStruct.atomSolvents.removeRange( atomRange ); + _systemPtr->_systemStruct.atomIons.removeRange( atomRange ); break; } } @@ -143,30 +143,30 @@ namespace VTX::App::Component::Chemistry Iterator::AtomContainer Residue::atoms() const { - return Iterator::AtomContainer( _moleculePtr, getIndexFirstAtom(), getAtomCount() ); + return Iterator::AtomContainer( _systemPtr, getIndexFirstAtom(), getAtomCount() ); } bool Residue::isVisible() const { const AtomIndexRange atomRange = AtomIndexRange( getIndexFirstAtom(), getAtomCount() ); - return _moleculePtr->_visibleAtomIds.intersectWith( atomRange ); + return _systemPtr->_visibleAtomIds.intersectWith( atomRange ); } bool Residue::isFullyVisible() const { const AtomIndexRange atomRange = AtomIndexRange( getIndexFirstAtom(), getAtomCount() ); - return _moleculePtr->_visibleAtomIds.contains( atomRange ); + return _systemPtr->_visibleAtomIds.contains( atomRange ); } void Residue::setVisible( const bool p_visible ) { const AtomIndexRange atomRange = AtomIndexRange( getIndexFirstAtom(), getAtomCount() ); - _moleculePtr->setVisible( atomRange, p_visible ); + _systemPtr->setVisible( atomRange, p_visible ); } void Residue::remove() { const AtomIndexRange atomRange = AtomIndexRange( getIndexFirstAtom(), getAtomCount() ); - _moleculePtr->remove( atomRange ); + _systemPtr->remove( atomRange ); } } // namespace VTX::App::Component::Chemistry diff --git a/lib/app/src/app/component/chemistry/molecule.cpp b/lib/app/src/app/component/chemistry/system.cpp similarity index 64% rename from lib/app/src/app/component/chemistry/molecule.cpp rename to lib/app/src/app/component/chemistry/system.cpp index 96ecf7075..1310ea1ea 100644 --- a/lib/app/src/app/component/chemistry/molecule.cpp +++ b/lib/app/src/app/component/chemistry/system.cpp @@ -1,4 +1,4 @@ -#include "app/component/chemistry/molecule.hpp" +#include "app/component/chemistry/system.hpp" #include "app/component/chemistry/atom.hpp" #include "app/component/chemistry/bond.hpp" #include "app/component/chemistry/chain.hpp" @@ -31,15 +31,15 @@ namespace VTX::App::Component::Chemistry { namespace ChemDB = VTX::Core::ChemDB; - Molecule::Molecule() + System::System() { _chains = std::vector>(); _residues = std::vector>(); _atoms = std::vector>(); _bonds = std::vector>(); }; - Molecule::Molecule( VTX::Core::Struct::Molecule & p_moleculeStruct ) { setMoleculeStruct( p_moleculeStruct ); } - Molecule::~Molecule() + System::System( VTX::Core::Struct::System & p_systemStruct ) { setSystemStruct( p_systemStruct ); } + System::~System() { if ( _atomUidRange.isValid() ) UID_SYSTEM().unregister( _atomUidRange ); @@ -48,17 +48,17 @@ namespace VTX::App::Component::Chemistry UID_SYSTEM().unregister( _residueUidRange ); }; - void Molecule::setMoleculeStruct( VTX::Core::Struct::Molecule & p_moleculeStruct ) + void System::setSystemStruct( VTX::Core::Struct::System & p_systemStruct ) { - _moleculeStruct = std::move( p_moleculeStruct ); + _systemStruct = std::move( p_systemStruct ); - initChains( _moleculeStruct.getChainCount() ); - initResidues( _moleculeStruct.getResidueCount() ); - initAtoms( _moleculeStruct.getAtomCount() ); - initBonds( _moleculeStruct.getBondCount() ); + initChains( _systemStruct.getChainCount() ); + initResidues( _systemStruct.getResidueCount() ); + initAtoms( _systemStruct.getAtomCount() ); + initBonds( _systemStruct.getBondCount() ); } - void Molecule::initChains( const size_t p_chainCount ) + void System::initChains( const size_t p_chainCount ) { _chains.resize( p_chainCount ); std::generate( @@ -70,7 +70,7 @@ namespace VTX::App::Component::Chemistry _realChainCount = p_chainCount; } - void Molecule::initResidues( const size_t p_residueCount ) + void System::initResidues( const size_t p_residueCount ) { _residues.resize( p_residueCount ); std::generate( @@ -82,7 +82,7 @@ namespace VTX::App::Component::Chemistry _realResidueCount = p_residueCount; } - void Molecule::initAtoms( const size_t p_atomCount ) + void System::initAtoms( const size_t p_atomCount ) { _atoms.resize( p_atomCount ); std::generate( @@ -98,7 +98,7 @@ namespace VTX::App::Component::Chemistry _realAtomCount = p_atomCount; } - void Molecule::initBonds( const size_t p_bondCount ) + void System::initBonds( const size_t p_bondCount ) { _bonds.resize( p_bondCount ); std::generate( @@ -108,32 +108,32 @@ namespace VTX::App::Component::Chemistry ); } - void Molecule::setName( const std::string & p_name ) + void System::setName( const std::string & p_name ) { Component::Scene::SceneItemComponent & sceneComponent = ECS_REGISTRY().getComponent( *this ); sceneComponent.setName( p_name ); - _moleculeStruct.name = p_name; + _systemStruct.name = p_name; } - const Atom * Molecule::getAtomFromUID( Core::UID::uid p_uid ) const + const Atom * System::getAtomFromUID( Core::UID::uid p_uid ) const { return getAtom( p_uid - _atomUidRange.getFirst() ); } - Atom * Molecule::getAtomFromUID( Core::UID::uid p_uid ) { return getAtom( p_uid - _atomUidRange.getFirst() ); } - const Residue * Molecule::getResidueFromUID( Core::UID::uid p_uid ) const + Atom * System::getAtomFromUID( Core::UID::uid p_uid ) { return getAtom( p_uid - _atomUidRange.getFirst() ); } + const Residue * System::getResidueFromUID( Core::UID::uid p_uid ) const { return getResidue( p_uid - _residueUidRange.getFirst() ); } - Residue * Molecule::getResidueFromUID( Core::UID::uid p_uid ) + Residue * System::getResidueFromUID( Core::UID::uid p_uid ) { return getResidue( p_uid - _residueUidRange.getFirst() ); } - bool Molecule::isVisible() const { return !_visibleAtomIds.isEmpty(); } - bool Molecule::isFullyVisible() const { return _visibleAtomIds.count() == atom_index_t( _atoms.size() ); } + bool System::isVisible() const { return !_visibleAtomIds.isEmpty(); } + bool System::isFullyVisible() const { return _visibleAtomIds.count() == atom_index_t( _atoms.size() ); } - void Molecule::setVisible( const bool p_visible ) + void System::setVisible( const bool p_visible ) { const AtomIndexRange atomRange = AtomIndexRange( 0, atom_index_t( _atoms.size() ) ); @@ -152,7 +152,7 @@ namespace VTX::App::Component::Chemistry onVisibilityChange( AtomIndexRangeList( { atomRange } ), applyMode ); } - void Molecule::setVisible( const atom_index_t & p_atomId, bool p_visible ) + void System::setVisible( const atom_index_t & p_atomId, bool p_visible ) { App::Core::VISIBILITY_APPLY_MODE applyMode; @@ -169,7 +169,7 @@ namespace VTX::App::Component::Chemistry onVisibilityChange( AtomIndexRangeList( { AtomIndexRange( p_atomId ) } ), applyMode ); } - void Molecule::setVisible( const AtomIndexRange & p_atomRange, bool p_visible ) + void System::setVisible( const AtomIndexRange & p_atomRange, bool p_visible ) { App::Core::VISIBILITY_APPLY_MODE applyMode; @@ -187,7 +187,7 @@ namespace VTX::App::Component::Chemistry onVisibilityChange( AtomIndexRangeList( { p_atomRange } ), applyMode ); } - void Molecule::setVisible( const AtomIndexRangeList & p_atomRange, bool p_visible ) + void System::setVisible( const AtomIndexRangeList & p_atomRange, bool p_visible ) { App::Core::VISIBILITY_APPLY_MODE applyMode; @@ -205,13 +205,13 @@ namespace VTX::App::Component::Chemistry onVisibilityChange( p_atomRange, applyMode ); } - void Molecule::setAtomVisibilities( const AtomIndexRangeList & p_visibility ) + void System::setAtomVisibilities( const AtomIndexRangeList & p_visibility ) { _visibleAtomIds = p_visibility; onVisibilityChange( _visibleAtomIds, App::Core::VISIBILITY_APPLY_MODE::SET ); } - void Molecule::remove( const atom_index_t & p_atomIndex ) + void System::remove( const atom_index_t & p_atomIndex ) { _activeAtomIds.removeValue( p_atomIndex ); _deleteTopologyPointers( p_atomIndex ); @@ -219,7 +219,7 @@ namespace VTX::App::Component::Chemistry onAtomRemoved( AtomIndexRangeList( p_atomIndex ) ); } - void Molecule::remove( const AtomIndexRange & p_atomRange ) + void System::remove( const AtomIndexRange & p_atomRange ) { _activeAtomIds.removeRange( p_atomRange ); _deleteTopologyPointers( p_atomRange ); @@ -227,7 +227,7 @@ namespace VTX::App::Component::Chemistry onAtomRemoved( AtomIndexRangeList( { p_atomRange } ) ); } - void Molecule::remove( const AtomIndexRangeList & p_atomRangeList ) + void System::remove( const AtomIndexRangeList & p_atomRangeList ) { Util::Algorithm::Range::substractInSitu( _activeAtomIds, p_atomRangeList ); @@ -242,22 +242,22 @@ namespace VTX::App::Component::Chemistry onAtomRemoved( p_atomRangeList ); } - void Molecule::_deleteTopologyPointers( const atom_index_t p_atomIndex ) + void System::_deleteTopologyPointers( const atom_index_t p_atomIndex ) { _internalDeleteAtom( p_atomIndex ); - const size_t residueIndex = _moleculeStruct.atomResidueIndexes[ p_atomIndex ]; + const size_t residueIndex = _systemStruct.atomResidueIndexes[ p_atomIndex ]; _refreshResidueRemovedState( residueIndex ); - const size_t chainIndex = _moleculeStruct.residueChainIndexes[ residueIndex ]; + const size_t chainIndex = _systemStruct.residueChainIndexes[ residueIndex ]; _refreshChainRemovedState( chainIndex ); } - void Molecule::_deleteTopologyPointers( const AtomIndexRange & p_atomRange ) + void System::_deleteTopologyPointers( const AtomIndexRange & p_atomRange ) { _internalDeleteAtoms( p_atomRange ); - const size_t firstResidueIndex = _moleculeStruct.atomResidueIndexes[ p_atomRange.getFirst() ]; - const size_t lastResidueIndex = _moleculeStruct.atomResidueIndexes[ p_atomRange.getLast() ]; + const size_t firstResidueIndex = _systemStruct.atomResidueIndexes[ p_atomRange.getFirst() ]; + const size_t lastResidueIndex = _systemStruct.atomResidueIndexes[ p_atomRange.getLast() ]; if ( firstResidueIndex == lastResidueIndex ) { @@ -275,8 +275,8 @@ namespace VTX::App::Component::Chemistry _refreshResidueRemovedState( lastResidueIndex ); } - const size_t firstChainIndex = _moleculeStruct.residueChainIndexes[ firstResidueIndex ]; - const size_t lastChainIndex = _moleculeStruct.residueChainIndexes[ lastResidueIndex ]; + const size_t firstChainIndex = _systemStruct.residueChainIndexes[ firstResidueIndex ]; + const size_t lastChainIndex = _systemStruct.residueChainIndexes[ lastResidueIndex ]; if ( firstChainIndex == lastChainIndex ) { @@ -295,7 +295,7 @@ namespace VTX::App::Component::Chemistry } } - void Molecule::_refreshResidueRemovedState( const size_t p_residueIndex ) + void System::_refreshResidueRemovedState( const size_t p_residueIndex ) { const Residue * const residue = getResidue( p_residueIndex ); @@ -310,37 +310,37 @@ namespace VTX::App::Component::Chemistry else { // Refresh first atom and count - while ( _atoms[ _moleculeStruct.residueFirstAtomIndexes[ p_residueIndex ] ] == nullptr ) + while ( _atoms[ _systemStruct.residueFirstAtomIndexes[ p_residueIndex ] ] == nullptr ) { - _moleculeStruct.residueFirstAtomIndexes[ p_residueIndex ]++; - _moleculeStruct.residueAtomCounts[ p_residueIndex ]--; + _systemStruct.residueFirstAtomIndexes[ p_residueIndex ]++; + _systemStruct.residueAtomCounts[ p_residueIndex ]--; } - atom_index_t lastAtom = _moleculeStruct.residueFirstAtomIndexes[ p_residueIndex ] - + _moleculeStruct.residueAtomCounts[ p_residueIndex ] - 1; + atom_index_t lastAtom = _systemStruct.residueFirstAtomIndexes[ p_residueIndex ] + + _systemStruct.residueAtomCounts[ p_residueIndex ] - 1; while ( _atoms[ lastAtom ] == nullptr ) { - _moleculeStruct.residueAtomCounts[ p_residueIndex ]--; + _systemStruct.residueAtomCounts[ p_residueIndex ]--; lastAtom--; } } } } - void Molecule::_refreshChainRemovedState( const size_t p_chainIndex ) + void System::_refreshChainRemovedState( const size_t p_chainIndex ) { const Chain * const chain = getChain( p_chainIndex ); if ( chain != nullptr ) { const atom_index_t firstAtomIndex - = _moleculeStruct.residueFirstAtomIndexes[ _moleculeStruct.chainFirstResidues[ p_chainIndex ] ]; + = _systemStruct.residueFirstAtomIndexes[ _systemStruct.chainFirstResidues[ p_chainIndex ] ]; - const size_t lastResidueIndex = _moleculeStruct.chainFirstResidues[ p_chainIndex ] - + _moleculeStruct.chainResidueCounts[ p_chainIndex ] - 1; + const size_t lastResidueIndex = _systemStruct.chainFirstResidues[ p_chainIndex ] + + _systemStruct.chainResidueCounts[ p_chainIndex ] - 1; - const atom_index_t lastAtomIndex = _moleculeStruct.residueFirstAtomIndexes[ lastResidueIndex ] - + _moleculeStruct.residueAtomCounts[ lastResidueIndex ] - 1; + const atom_index_t lastAtomIndex = _systemStruct.residueFirstAtomIndexes[ lastResidueIndex ] + + _systemStruct.residueAtomCounts[ lastResidueIndex ] - 1; const AtomIndexRange atomRange = AtomIndexRange::createFirstLast( firstAtomIndex, lastAtomIndex ); @@ -350,54 +350,54 @@ namespace VTX::App::Component::Chemistry } else { - while ( _residues[ _moleculeStruct.chainFirstResidues[ p_chainIndex ] ] == nullptr ) + while ( _residues[ _systemStruct.chainFirstResidues[ p_chainIndex ] ] == nullptr ) { - _moleculeStruct.chainFirstResidues[ p_chainIndex ]++; - _moleculeStruct.chainResidueCounts[ p_chainIndex ]--; + _systemStruct.chainFirstResidues[ p_chainIndex ]++; + _systemStruct.chainResidueCounts[ p_chainIndex ]--; } - size_t lastResidue = _moleculeStruct.chainFirstResidues[ p_chainIndex ] - + _moleculeStruct.chainResidueCounts[ p_chainIndex ] - 1; + size_t lastResidue = _systemStruct.chainFirstResidues[ p_chainIndex ] + + _systemStruct.chainResidueCounts[ p_chainIndex ] - 1; while ( _residues[ lastResidue ] == nullptr ) { - _moleculeStruct.chainResidueCounts[ p_chainIndex ]--; + _systemStruct.chainResidueCounts[ p_chainIndex ]--; lastResidue--; } } } } - void Molecule::_internalDeleteAtom( const atom_index_t p_index ) + void System::_internalDeleteAtom( const atom_index_t p_index ) { _atoms[ p_index ] = nullptr; _realAtomCount--; } - void Molecule::_internalDeleteAtoms( const AtomIndexRange & p_range ) + void System::_internalDeleteAtoms( const AtomIndexRange & p_range ) { for ( atom_index_t iAtom = p_range.getFirst(); iAtom <= p_range.getLast(); iAtom++ ) _atoms[ iAtom ] = nullptr; _realAtomCount -= p_range.getCount(); } - void Molecule::_internalDeleteResidue( const size_t p_index ) + void System::_internalDeleteResidue( const size_t p_index ) { _residues[ p_index ] = nullptr; _realResidueCount--; } - void Molecule::_internalDeleteResidues( const ResidueIndexRange & p_range ) + void System::_internalDeleteResidues( const ResidueIndexRange & p_range ) { for ( size_t iResidue = p_range.getFirst(); iResidue <= p_range.getLast(); iResidue++ ) _residues[ iResidue ] = nullptr; _realResidueCount -= p_range.getCount(); } - void Molecule::_internalDeleteChain( const size_t p_index ) + void System::_internalDeleteChain( const size_t p_index ) { _chains[ p_index ] = nullptr; _realChainCount--; } - void Molecule::_internalDeleteChains( const ChainIndexRange & p_range ) + void System::_internalDeleteChains( const ChainIndexRange & p_range ) { for ( size_t iChain = p_range.getFirst(); iChain <= p_range.getLast(); iChain++ ) _chains[ iChain ] = nullptr; @@ -405,7 +405,7 @@ namespace VTX::App::Component::Chemistry _realChainCount -= p_range.getCount(); } - void Molecule::_resizeTopologyVectors() + void System::_resizeTopologyVectors() { eraseEndingNullValues( _chains ); eraseEndingNullValues( _residues ); diff --git a/lib/app/src/app/component/chemistry/trajectory.cpp b/lib/app/src/app/component/chemistry/trajectory.cpp index fcf163af8..2af7c3fdd 100644 --- a/lib/app/src/app/component/chemistry/trajectory.cpp +++ b/lib/app/src/app/component/chemistry/trajectory.cpp @@ -1,5 +1,5 @@ #include "app/component/chemistry/trajectory.hpp" -#include "app/component/chemistry/molecule.hpp" +#include "app/component/chemistry/system.hpp" #include "app/component/scene/scene_item_component.hpp" #include "app/vtx_app.hpp" @@ -7,19 +7,19 @@ namespace VTX::App::Component::Chemistry { Trajectory::Trajectory() { - _moleculePtr = &ECS_REGISTRY().getComponent( *this ); + _systemPtr = &ECS_REGISTRY().getComponent( *this ); _referenceUpdateFunction(); } - Trajectory::Trajectory( Molecule * const p_molecule ) : _moleculePtr( p_molecule ) { _referenceUpdateFunction(); } + Trajectory::Trajectory( System * const p_system ) : _systemPtr( p_system ) { _referenceUpdateFunction(); } - size_t Trajectory::getCurrentFrame() const { return _moleculePtr->getTrajectory().currentFrameIndex; } + size_t Trajectory::getCurrentFrame() const { return _systemPtr->getTrajectory().currentFrameIndex; } void Trajectory::setCurrentFrame( const size_t p_frameIndex ) { - _moleculePtr->getTrajectory().currentFrameIndex = p_frameIndex; + _systemPtr->getTrajectory().currentFrameIndex = p_frameIndex; } - size_t Trajectory::getFrameCount() const { return _moleculePtr->getTrajectory().frames.size(); } + size_t Trajectory::getFrameCount() const { return _systemPtr->getTrajectory().frames.size(); } void Trajectory::setPlayer( App::Core::Player::BasePlayer * const p_player ) { @@ -28,11 +28,11 @@ namespace VTX::App::Component::Chemistry onFrameChange.clear(); _player = p_player; - _player->setCount( _moleculePtr->getTrajectory().getFrameCount() ); + _player->setCount( _systemPtr->getTrajectory().getFrameCount() ); _player->onFrameChange += [ this ]( const size_t p_frameIndex ) { - _moleculePtr->getTrajectory().currentFrameIndex = p_frameIndex; + _systemPtr->getTrajectory().currentFrameIndex = p_frameIndex; onFrameChange( p_frameIndex ); }; diff --git a/lib/app/src/app/component/render/proxy_molecule.cpp b/lib/app/src/app/component/render/proxy_system.cpp similarity index 66% rename from lib/app/src/app/component/render/proxy_molecule.cpp rename to lib/app/src/app/component/render/proxy_system.cpp index 6c230d111..f2d3df20b 100644 --- a/lib/app/src/app/component/render/proxy_molecule.cpp +++ b/lib/app/src/app/component/render/proxy_system.cpp @@ -1,5 +1,5 @@ -#include "app/component/render/proxy_molecule.hpp" -#include "app/application/selection/molecule_data.hpp" +#include "app/component/render/proxy_system.hpp" +#include "app/application/selection/system_data.hpp" #include "app/application/selection/selection.hpp" #include "app/application/selection/selection_manager.hpp" #include "app/application/system/ecs_system.hpp" @@ -15,26 +15,26 @@ namespace VTX::App::Component::Render { - ProxyMolecule::ProxyMolecule() {} - ProxyMolecule::~ProxyMolecule() { _removeFromRenderer(); } - void ProxyMolecule::setup( Renderer::Facade & p_renderer ) + ProxySystem::ProxySystem() {} + ProxySystem::~ProxySystem() { _removeFromRenderer(); } + void ProxySystem::setup( Renderer::Facade & p_renderer ) { _addInRenderer( p_renderer ); _setupCallbacks(); - ECS_REGISTRY().connectSignal( + ECS_REGISTRY().connectSignal( Core::ECS::SIGNAL::DESTROY, this ); } - void ProxyMolecule::_removeFromRenderer() { _proxy->onRemove(); } + void ProxySystem::_removeFromRenderer() { _proxy->onRemove(); } - void ProxyMolecule::_addInRenderer( Renderer::Facade & p_renderer ) + void ProxySystem::_addInRenderer( Renderer::Facade & p_renderer ) { - Component::Chemistry::Molecule & molComp = ECS_REGISTRY().getComponent( *this ); - VTX::Core::Struct::Molecule & molStruct = molComp._moleculeStruct; + Component::Chemistry::System & molComp = ECS_REGISTRY().getComponent( *this ); + VTX::Core::Struct::System & molStruct = molComp._systemStruct; // TODO: how to handle this? - IO::Util::SecondaryStructure::computeStride( molComp._moleculeStruct ); + IO::Util::SecondaryStructure::computeStride( molComp._systemStruct ); Component::Scene::Transform & transformComp = ECS_REGISTRY().getComponent( *this ); @@ -44,7 +44,7 @@ namespace VTX::App::Component::Render const std::vector residueColors = _generateResidueColors( molStruct ); const std::vector residueIds = _generateResidueUids( molComp ); - _proxy = std::make_unique( VTX::Renderer::Proxy::Molecule { + _proxy = std::make_unique( VTX::Renderer::Proxy::System { &transformComp.getTransform().get(), &molStruct.trajectory.getCurrentFrame(), @@ -62,16 +62,16 @@ namespace VTX::App::Component::Render residueColors, residueIds } ); - p_renderer.addProxyMolecule( *_proxy ); + p_renderer.addProxySystem( *_proxy ); } - void ProxyMolecule::_setupCallbacks() + void ProxySystem::_setupCallbacks() { _applyVisibilityCallbacks(); _applySelectionCallbacks(); _applyAtomPositionCallbacks(); } - std::vector ProxyMolecule::_generateAtomColors( const VTX::Core::Struct::Molecule & p_molStruct ) const + std::vector ProxySystem::_generateAtomColors( const VTX::Core::Struct::System & p_molStruct ) const { std::vector atomColors; @@ -85,7 +85,7 @@ namespace VTX::App::Component::Render return atomColors; } - std::vector ProxyMolecule::_generateAtomRadii( const VTX::Core::Struct::Molecule & p_molStruct ) const + std::vector ProxySystem::_generateAtomRadii( const VTX::Core::Struct::System & p_molStruct ) const { std::vector atomRadii; @@ -99,7 +99,7 @@ namespace VTX::App::Component::Render return atomRadii; } - std::vector ProxyMolecule::_generateAtomUids( const Component::Chemistry::Molecule & p_molComp ) const + std::vector ProxySystem::_generateAtomUids( const Component::Chemistry::System & p_molComp ) const { std::vector atomUids; const uint offset = uint( p_molComp._atomUidRange.getFirst() ); @@ -109,7 +109,7 @@ namespace VTX::App::Component::Render return atomUids; } - std::vector ProxyMolecule::_generateResidueColors( const VTX::Core::Struct::Molecule & p_molStruct ) const + std::vector ProxySystem::_generateResidueColors( const VTX::Core::Struct::System & p_molStruct ) const { std::vector residueColors; residueColors.resize( p_molStruct.getResidueCount(), 0 ); @@ -123,7 +123,7 @@ namespace VTX::App::Component::Render return residueColors; } - std::vector ProxyMolecule::_generateResidueUids( const Component::Chemistry::Molecule & p_molComp ) const + std::vector ProxySystem::_generateResidueUids( const Component::Chemistry::System & p_molComp ) const { std::vector residueUids; const uint offset = uint( p_molComp._residueUidRange.getFirst() ); @@ -136,7 +136,7 @@ namespace VTX::App::Component::Render return residueUids; } - void ProxyMolecule::_applyOnVisibility( + void ProxySystem::_applyOnVisibility( const Component::Chemistry::AtomIndexRangeList & p_rangeList, const App::Core::VISIBILITY_APPLY_MODE p_applyMode ) @@ -154,54 +154,54 @@ namespace VTX::App::Component::Render default: throw VTXException( - "Unhandled Component::Chemistry::VISIBILITY_APPLY_MODE in ProxyMolecule::onVisibilityChange " + "Unhandled Component::Chemistry::VISIBILITY_APPLY_MODE in ProxySystem::onVisibilityChange " "callback." ); } } - void ProxyMolecule::_applyVisibilityCallbacks() + void ProxySystem::_applyVisibilityCallbacks() { - Component::Chemistry::Molecule & molecule - = ECS_REGISTRY().getComponent( *this ); + Component::Chemistry::System & system + = ECS_REGISTRY().getComponent( *this ); - molecule.onVisibilityChange += [ this ]( + system.onVisibilityChange += [ this ]( const Component::Chemistry::AtomIndexRangeList & p_rangeList, App::Core::VISIBILITY_APPLY_MODE p_applyMode ) { - Component::Chemistry::Molecule & molecule - = ECS_REGISTRY().getComponent( *this ); + Component::Chemistry::System & system + = ECS_REGISTRY().getComponent( *this ); const Component::Chemistry::AtomIndexRangeList activeAtoms - = Util::Algorithm::Range::intersect( p_rangeList, molecule.getActiveAtoms() ); + = Util::Algorithm::Range::intersect( p_rangeList, system.getActiveAtoms() ); _applyOnVisibility( activeAtoms, p_applyMode ); }; - molecule.onAtomRemoved += [ this ]( const Component::Chemistry::AtomIndexRangeList & p_rangeList ) + system.onAtomRemoved += [ this ]( const Component::Chemistry::AtomIndexRangeList & p_rangeList ) { _applyOnVisibility( p_rangeList, App::Core::VISIBILITY_APPLY_MODE::HIDE ); }; } - void ProxyMolecule::_applySelectionCallbacks() + void ProxySystem::_applySelectionCallbacks() { Component::Scene::Selectable & selectableComponent = ECS_REGISTRY().getComponent( *this ); selectableComponent.onSelect += [ this ]( const Application::Selection::SelectionData & p_selectionData ) { - const Application::Selection::MoleculeData & castedSelectionData - = dynamic_cast( p_selectionData ); + const Application::Selection::SystemData & castedSelectionData + = dynamic_cast( p_selectionData ); _proxy->onAtomSelections( castedSelectionData.getAtomIds(), true ); }; selectableComponent.onDeselect += [ this ]( const Application::Selection::SelectionData & p_selectionData ) { - const Application::Selection::MoleculeData & castedSelectionData - = dynamic_cast( p_selectionData ); + const Application::Selection::SystemData & castedSelectionData + = dynamic_cast( p_selectionData ); _proxy->onAtomSelections( castedSelectionData.getAtomIds(), false ); }; } - void ProxyMolecule::_applyAtomPositionCallbacks() + void ProxySystem::_applyAtomPositionCallbacks() { if ( ECS_REGISTRY().hasComponent( *this ) ) { @@ -210,10 +210,10 @@ namespace VTX::App::Component::Render trajectoryComponent.onFrameChange += [ this ]( const size_t p_frameIndex ) { - Component::Chemistry::Molecule & moleculeComponent - = ECS_REGISTRY().getComponent( *this ); + Component::Chemistry::System & systemComponent + = ECS_REGISTRY().getComponent( *this ); - _proxy->atomPositions = &moleculeComponent.getTrajectory().getCurrentFrame(); + _proxy->atomPositions = &systemComponent.getTrajectory().getCurrentFrame(); _proxy->onAtomPositions(); }; } diff --git a/lib/app/src/app/core/network/network_system.cpp b/lib/app/src/app/core/network/network_system.cpp index da42e1726..cd27a5984 100644 --- a/lib/app/src/app/core/network/network_system.cpp +++ b/lib/app/src/app/core/network/network_system.cpp @@ -15,14 +15,14 @@ namespace VTX::App::Core::Network const FilePath cachePath = Filesystem::getCachePath( p_filename ); if ( std::filesystem::exists( cachePath ) ) { - VTX_INFO( "Loading molecule from cache: {}", cachePath.string() ); + VTX_INFO( "Loading system from cache: {}", cachePath.string() ); *p_data = Util::Filesystem::readPath( cachePath ); } else { if ( p_url.has_value() ) { - VTX_INFO( "Downloading molecule from: {}", p_url.value() ); + VTX_INFO( "Downloading system from: {}", p_url.value() ); downloadFile( p_url.value(), p_filename, p_data ); } else @@ -45,7 +45,7 @@ namespace VTX::App::Core::Network assert( 1 ); } - VTX_INFO( "Downloading molecule from: {}", p_url ); + VTX_INFO( "Downloading system from: {}", p_url ); // Download. Util::Network::httpRequestGet( p_url, p_data ); // Save to cache. diff --git a/lib/app/src/app/entity/molecule.cpp b/lib/app/src/app/entity/system.cpp similarity index 60% rename from lib/app/src/app/entity/molecule.cpp rename to lib/app/src/app/entity/system.cpp index d098417a1..c1eb5093a 100644 --- a/lib/app/src/app/entity/molecule.cpp +++ b/lib/app/src/app/entity/system.cpp @@ -1,11 +1,10 @@ -#include "app/entity/molecule.hpp" +#include "app/component/chemistry/system.hpp" #include "app/application/scene.hpp" -#include "app/application/selection/molecule_data.hpp" -#include "app/application/selection/molecule_granularity.hpp" -#include "app/component/chemistry/molecule.hpp" +#include "app/application/selection/system_data.hpp" +#include "app/application/selection/system_granularity.hpp" #include "app/component/chemistry/trajectory.hpp" -#include "app/component/io/molecule_metadata.hpp" -#include "app/component/render/proxy_molecule.hpp" +#include "app/component/io/system_metadata.hpp" +#include "app/component/render/proxy_system.hpp" #include "app/component/scene/aabb_component.hpp" #include "app/component/scene/pickable.hpp" #include "app/component/scene/scene_item_component.hpp" @@ -16,39 +15,40 @@ #include "app/core/player/players.hpp" #include "app/core/renderer/renderer_system.hpp" #include "app/core/settings/settings_system.hpp" -#include "app/serialization/io/reader/molecule_loader.hpp" +#include "app/entity/system.hpp" +#include "app/serialization/io/reader/system_loader.hpp" #include "app/settings.hpp" -#include +#include #include namespace VTX::App::Entity { - void Molecule::setup() + void System::setup() { // TODO: share with wiewpoint entity. auto & sceneItemComponent = ECS_REGISTRY().addComponent( *this ); // Add components. - auto & molecule = ECS_REGISTRY().addComponent( *this ); + auto & system = ECS_REGISTRY().addComponent( *this ); auto & aabb = ECS_REGISTRY().addComponent( *this ); auto & transform = ECS_REGISTRY().addComponent( *this ); - auto & proxy = ECS_REGISTRY().addComponent( *this ); + auto & proxy = ECS_REGISTRY().addComponent( *this ); auto & uid = ECS_REGISTRY().addComponent( *this ); auto & selectable = ECS_REGISTRY().addComponent( *this ); auto & pickable = ECS_REGISTRY().addComponent( *this ); - // Load molecule. - Serialization::IO::Reader::MoleculeLoader loader; - auto & metaData = ECS_REGISTRY().addComponent( *this ); + // Load system. + Serialization::IO::Reader::SystemLoader loader; + auto & metaData = ECS_REGISTRY().addComponent( *this ); if ( _buffer ) // Buffer. { VTX_DEBUG( "Path: {}", _path.string() ); - loader.readBuffer( *_buffer, _path, molecule ); + loader.readBuffer( *_buffer, _path, system ); } else // Filepath { - loader.readFile( _path, molecule ); + loader.readFile( _path, system ); metaData.path = _path; } @@ -56,15 +56,15 @@ namespace VTX::App::Entity const std::string & pdbId = chemfilesReader.getPdbIdCode(); metaData.pdbIDCode = pdbId; - molecule.setPdbIdCode( pdbId ); + system.setPdbIdCode( pdbId ); - const std::string moleculeName = pdbId == "" ? Util::Filesystem::getFileName( _path ) : pdbId; - molecule.setName( moleculeName ); + const std::string systemName = pdbId == "" ? Util::Filesystem::getFileName( _path ) : pdbId; + system.setName( systemName ); // UID. - uid.referenceUID( molecule.getAtomUIDs() ); + uid.referenceUID( system.getAtomUIDs() ); // Selectable. - selectable.setSelectionDataGenerator(); + selectable.setSelectionDataGenerator(); // AABB. aabb.init(); aabb.setAABBComputationFunction( @@ -73,7 +73,7 @@ namespace VTX::App::Entity Util::Math::AABB res; res.invalidate(); - for ( const auto & atomPtr : molecule.getAtoms() ) + for ( const auto & atomPtr : system.getAtoms() ) { if ( atomPtr != nullptr ) res.extend( atomPtr->getLocalPosition() ); @@ -86,9 +86,9 @@ namespace VTX::App::Entity proxy.setup( App::RENDERER_SYSTEM() ); // Trajectory. - if ( molecule.hasTrajectory() ) + if ( system.hasTrajectory() ) { - auto & trajectory = ECS_REGISTRY().addComponent( *this, &molecule ); + auto & trajectory = ECS_REGISTRY().addComponent( *this, &system ); // TODO: set from settings. auto * const defaultPlayMode @@ -106,57 +106,57 @@ namespace VTX::App::Entity ); std::unique_ptr res - = std::make_unique( selectable ); - auto & molData = dynamic_cast( *res ); + = std::make_unique( selectable ); + auto & molData = dynamic_cast( *res ); molData.clear(); if ( p_pickingInfo.hasOneValue() ) { // First UID is Atom and not the other one => Pick Atom - if ( molecule.getAtomUIDs().contains( p_pickingInfo.getFirst() ) ) + if ( system.getAtomUIDs().contains( p_pickingInfo.getFirst() ) ) { const Component::Chemistry::Atom * const atomPtr - = molecule.getAtomFromUID( p_pickingInfo.getFirst() ); + = system.getAtomFromUID( p_pickingInfo.getFirst() ); if ( atomPtr != nullptr ) { molData.set( - Application::Selection::MoleculeGranularity::getSelectionData( *atomPtr, granularity ) + Application::Selection::SystemGranularity::getSelectionData( *atomPtr, granularity ) ); } } - else if ( molecule.getResidueUIDs().contains( p_pickingInfo.getFirst() ) ) + else if ( system.getResidueUIDs().contains( p_pickingInfo.getFirst() ) ) { // First UID is Residue => Pick Residue const Component::Chemistry::Residue * const residuePtr - = molecule.getResidueFromUID( p_pickingInfo.getFirst() ); + = system.getResidueFromUID( p_pickingInfo.getFirst() ); if ( residuePtr != nullptr ) { - molData.set( Application::Selection::MoleculeGranularity::getSelectionData( - *residuePtr, granularity - ) ); + molData.set( + Application::Selection::SystemGranularity::getSelectionData( *residuePtr, granularity ) + ); } } } else if ( p_pickingInfo.hasTwoValues() ) { // Two atoms picked => Pick Bond - if ( ( molecule.getAtomUIDs().contains( p_pickingInfo.getFirst() ) - && molecule.getAtomUIDs().contains( p_pickingInfo.getSecond() ) ) ) + if ( ( system.getAtomUIDs().contains( p_pickingInfo.getFirst() ) + && system.getAtomUIDs().contains( p_pickingInfo.getSecond() ) ) ) { const Component::Chemistry::Atom * const firstAtomPtr - = molecule.getAtomFromUID( p_pickingInfo.getFirst() ); + = system.getAtomFromUID( p_pickingInfo.getFirst() ); const Component::Chemistry::Atom * const secondAtomPtr - = molecule.getAtomFromUID( p_pickingInfo.getSecond() ); + = system.getAtomFromUID( p_pickingInfo.getSecond() ); if ( firstAtomPtr != nullptr && secondAtomPtr != nullptr ) { - molData.set( Application::Selection::MoleculeGranularity::getSelectionData( + molData.set( Application::Selection::SystemGranularity::getSelectionData( *firstAtomPtr, granularity ) ); - molData.add( Application::Selection::MoleculeGranularity::getSelectionData( + molData.add( Application::Selection::SystemGranularity::getSelectionData( *secondAtomPtr, granularity ) ); } diff --git a/lib/app/src/app/helper/chemistry.cpp b/lib/app/src/app/helper/chemistry.cpp index 5230c7f34..02e89d9f4 100644 --- a/lib/app/src/app/helper/chemistry.cpp +++ b/lib/app/src/app/helper/chemistry.cpp @@ -2,21 +2,21 @@ #include "app/component/chemistry/atom.hpp" #include "app/component/chemistry/bond.hpp" #include "app/component/chemistry/chain.hpp" -#include "app/component/chemistry/molecule.hpp" #include "app/component/chemistry/residue.hpp" +#include "app/component/chemistry/system.hpp" #include #include namespace VTX::App::Helper::Chemistry { std::vector findChainsByName( - const Component::Chemistry::Molecule & p_molecule, - const std::string & p_chainName + const Component::Chemistry::System & p_system, + const std::string & p_chainName ) { std::vector res = std::vector(); - for ( const std::unique_ptr & chain : p_molecule.getChains() ) + for ( const std::unique_ptr & chain : p_system.getChains() ) { if ( chain != nullptr && chain->getName() == p_chainName ) res.emplace_back( chain.get() ); @@ -33,7 +33,7 @@ namespace VTX::App::Helper::Chemistry using namespace VTX::Core; std::vector res = std::vector(); - Component::Chemistry::Molecule & molecule = *( p_chain.getMoleculePtr() ); + Component::Chemistry::System & system = *( p_chain.getSystemPtr() ); const ChemDB::Residue::SYMBOL residueSymbol = ChemDB::Residue::getSymbolFromAnyName( p_residueName ); @@ -41,7 +41,7 @@ namespace VTX::App::Helper::Chemistry { for ( size_t iRes = p_chain.getIndexFirstResidue(); iRes <= p_chain.getIndexLastResidue(); iRes++ ) { - Component::Chemistry::Residue * const residue = molecule.getResidue( iRes ); + Component::Chemistry::Residue * const residue = system.getResidue( iRes ); if ( residue != nullptr && residue->getSymbol() == residueSymbol ) res.emplace_back( residue ); @@ -51,7 +51,7 @@ namespace VTX::App::Helper::Chemistry { for ( size_t iRes = p_chain.getIndexFirstResidue(); iRes <= p_chain.getIndexLastResidue(); iRes++ ) { - Component::Chemistry::Residue * const residue = molecule.getResidue( iRes ); + Component::Chemistry::Residue * const residue = system.getResidue( iRes ); if ( residue == nullptr || residue->getSymbol() != ChemDB::Residue::SYMBOL::UNKNOWN ) continue; diff --git a/lib/app/src/app/serialization/io/reader/molecule_loader.cpp b/lib/app/src/app/serialization/io/reader/molecule_loader.cpp deleted file mode 100644 index 4e3c9fad1..000000000 --- a/lib/app/src/app/serialization/io/reader/molecule_loader.cpp +++ /dev/null @@ -1,52 +0,0 @@ -#include "app/serialization/io/reader/molecule_loader.hpp" -#include "app/component/chemistry/atom.hpp" -#include "app/component/chemistry/bond.hpp" -#include "app/component/chemistry/chain.hpp" -#include "app/component/chemistry/molecule.hpp" -#include "app/component/chemistry/residue.hpp" -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include -#include - -namespace VTX::App::Serialization::IO::Reader -{ - namespace Core = VTX::Core; - namespace ChemDB = VTX::Core::ChemDB; - - void MoleculeLoader::readFile( const FilePath & p_path, App::Component::Chemistry::Molecule & p_molecule ) - { - _reader = VTX::IO::Reader::Molecule(); - Core::Struct::Molecule moleculeStruct = Core::Struct::Molecule(); - - _reader.readFile( p_path, moleculeStruct ); - VTX::Util::Chrono chrono = VTX::Util::Chrono(); - chrono.start(); - p_molecule.setMoleculeStruct( moleculeStruct ); - chrono.stop(); - VTX_INFO( "Build Molecule convenient structure : {}", Util::String::durationToStr( chrono.elapsedTime() ) ); - } - - void MoleculeLoader::readBuffer( - const std::string & p_buffer, - const FilePath & p_path, - App::Component::Chemistry::Molecule & p_molecule - ) - { - _reader = VTX::IO::Reader::Molecule(); - Core::Struct::Molecule moleculeStruct = Core::Struct::Molecule(); - - _reader.readBuffer( p_buffer, p_path, moleculeStruct ); - p_molecule.setMoleculeStruct( moleculeStruct ); - } - -} // namespace VTX::App::Serialization::IO::Reader diff --git a/lib/app/src/app/serialization/io/reader/system_loader.cpp b/lib/app/src/app/serialization/io/reader/system_loader.cpp new file mode 100644 index 000000000..c564f9f70 --- /dev/null +++ b/lib/app/src/app/serialization/io/reader/system_loader.cpp @@ -0,0 +1,52 @@ +#include "app/serialization/io/reader/system_loader.hpp" +#include "app/component/chemistry/atom.hpp" +#include "app/component/chemistry/bond.hpp" +#include "app/component/chemistry/chain.hpp" +#include "app/component/chemistry/residue.hpp" +#include "app/component/chemistry/system.hpp" +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +namespace VTX::App::Serialization::IO::Reader +{ + namespace Core = VTX::Core; + namespace ChemDB = VTX::Core::ChemDB; + + void SystemLoader::readFile( const FilePath & p_path, App::Component::Chemistry::System & p_system ) + { + _reader = VTX::IO::Reader::System(); + Core::Struct::System systemStruct = Core::Struct::System(); + + _reader.readFile( p_path, systemStruct ); + VTX::Util::Chrono chrono = VTX::Util::Chrono(); + chrono.start(); + p_system.setSystemStruct( systemStruct ); + chrono.stop(); + VTX_INFO( "Build System convenient structure : {}", Util::String::durationToStr( chrono.elapsedTime() ) ); + } + + void SystemLoader::readBuffer( + const std::string & p_buffer, + const FilePath & p_path, + App::Component::Chemistry::System & p_system + ) + { + _reader = VTX::IO::Reader::System(); + Core::Struct::System systemStruct = Core::Struct::System(); + + _reader.readBuffer( p_buffer, p_path, systemStruct ); + p_system.setSystemStruct( systemStruct ); + } + +} // namespace VTX::App::Serialization::IO::Reader diff --git a/lib/app/src/app/serialization/scene_serializers.cpp b/lib/app/src/app/serialization/scene_serializers.cpp index e8160b5b8..0ca0338cb 100644 --- a/lib/app/src/app/serialization/scene_serializers.cpp +++ b/lib/app/src/app/serialization/scene_serializers.cpp @@ -1,15 +1,15 @@ #include "app/serialization/scene_serializers.hpp" #include "app/application/scene.hpp" -#include "app/component/chemistry/molecule.hpp" +#include "app/component/chemistry/system.hpp" #include "app/component/chemistry/trajectory.hpp" -#include "app/component/io/molecule_metadata.hpp" +#include "app/component/io/system_metadata.hpp" #include "app/component/render/camera.hpp" #include "app/component/scene/scene_item_component.hpp" #include "app/component/scene/transform_component.hpp" #include "app/core/ecs/base_entity.hpp" #include "app/core/player/base_player.hpp" #include "app/core/player/players.hpp" -#include "app/serialization/io/reader/molecule_loader.hpp" +#include "app/serialization/io/reader/system_loader.hpp" #include "app/serialization/serialization_system.hpp" #include #include @@ -90,13 +90,13 @@ namespace VTX::App::Serialization p_component.setName( SERIALIZATION_SYSTEM().deserializeField( p_json, "NAME" ) ); } - // Chemistry::MoleculeComponent - Util::JSon::Object serialize( const Component::Chemistry::Molecule & p_component ) + // Chemistry::SystemComponent + Util::JSon::Object serialize( const Component::Chemistry::System & p_component ) { return { { "PDB_ID", p_component.getPdbIdCode() }, { "TRANSFORM", SERIALIZATION_SYSTEM().serialize( p_component.getTransform() ) } }; } - void deserialize( const Util::JSon::Object & p_json, Component::Chemistry::Molecule & p_component ) + void deserialize( const Util::JSon::Object & p_json, Component::Chemistry::System & p_component ) { p_component.setPdbIdCode( SERIALIZATION_SYSTEM().deserializeField( p_json, "PDB_ID" ) ); SERIALIZATION_SYSTEM().deserialize( p_json[ "TRANSFORM" ], p_component.getTransform() ); @@ -114,18 +114,18 @@ namespace VTX::App::Serialization ); } - // MoleculeMetadata - Util::JSon::Object serialize( const Component::IO::MoleculeMetadata & p_component ) + // SystemMetadata + Util::JSon::Object serialize( const Component::IO::SystemMetadata & p_component ) { - const Component::Chemistry::Molecule & moleculeComponent - = ECS_REGISTRY().getComponent( ECS_REGISTRY().getEntity( p_component ) ); + const Component::Chemistry::System & systemComponent + = ECS_REGISTRY().getComponent( ECS_REGISTRY().getEntity( p_component ) ); return { { "PATH", SERIALIZATION_SYSTEM().serialize( p_component.path ) }, { "PDB_ID", p_component.pdbIDCode }, { "SECONDARY_STRUCTURE_FROM_FILE", p_component.isSecondaryStructureLoadedFromFile }, - { "VISIBILITY", SERIALIZATION_SYSTEM().serialize( moleculeComponent.getAtomVisibilities() ) } }; + { "VISIBILITY", SERIALIZATION_SYSTEM().serialize( systemComponent.getAtomVisibilities() ) } }; } - void deserialize( const Util::JSon::Object & p_json, Component::IO::MoleculeMetadata & p_component ) + void deserialize( const Util::JSon::Object & p_json, Component::IO::SystemMetadata & p_component ) { p_component.path = SERIALIZATION_SYSTEM().deserializeField( p_json, "PATH" ); p_component.pdbIDCode @@ -133,18 +133,18 @@ namespace VTX::App::Serialization p_component.isSecondaryStructureLoadedFromFile = SERIALIZATION_SYSTEM().deserializeField( p_json, "SECONDARY_STRUCTURE_FROM_FILE", false ); - Serialization::IO::Reader::MoleculeLoader loader = Serialization::IO::Reader::MoleculeLoader(); + Serialization::IO::Reader::SystemLoader loader = Serialization::IO::Reader::SystemLoader(); const FilePath path = FilePath( p_component.path ); - Component::Chemistry::Molecule & moleculeComponent - = ECS_REGISTRY().getComponent( ECS_REGISTRY().getEntity( p_component ) ); + Component::Chemistry::System & systemComponent + = ECS_REGISTRY().getComponent( ECS_REGISTRY().getEntity( p_component ) ); - loader.readFile( path, moleculeComponent ); + loader.readFile( path, systemComponent ); const Component::Chemistry::AtomIndexRangeList visibilities = SERIALIZATION_SYSTEM().deserializeField( p_json, "VISIBILITY" ); - moleculeComponent.setAtomVisibilities( visibilities ); + systemComponent.setAtomVisibilities( visibilities ); } // TrajectoryComponent diff --git a/lib/app/src/app/vtx_app.cpp b/lib/app/src/app/vtx_app.cpp index 038018262..71f188590 100644 --- a/lib/app/src/app/vtx_app.cpp +++ b/lib/app/src/app/vtx_app.cpp @@ -6,7 +6,7 @@ #include "app/application/selection/selection_manager.hpp" #include "app/component/io/scene_file_info.hpp" #include "app/component/render/camera.hpp" -#include "app/component/render/proxy_molecule.hpp" +#include "app/component/render/proxy_system.hpp" #include "app/controller/camera/trackball.hpp" #include "app/core/action/action_system.hpp" #include "app/core/animation/animation_system.hpp" @@ -192,7 +192,7 @@ namespace VTX::App { case FILE_TYPE_ENUM::MOLECULE: case FILE_TYPE_ENUM::TRAJECTORY: - App::ACTION_SYSTEM().execute( arg ); + App::ACTION_SYSTEM().execute( arg ); break; case FILE_TYPE_ENUM::SCENE: @@ -209,17 +209,17 @@ namespace VTX::App VTX_ERROR( "Can't open file '{}' : {}.", arg, p_e.what() ); } } - // If argument is a molecule name. + // If argument is a system name. else if ( arg.size() == 4 ) { // Check only letter and number. if ( std::all_of( arg.begin(), arg.end(), []( const char c ) { return std::isalnum( c ); } ) ) { - App::ACTION_SYSTEM().execute( arg, arg + ".pdb" ); + App::ACTION_SYSTEM().execute( arg, arg + ".pdb" ); } else { - VTX_WARNING( "Argument '{}' is not a valid molecule name.", arg ); + VTX_WARNING( "Argument '{}' is not a valid system name.", arg ); } } else diff --git a/lib/app/test/actions.cpp b/lib/app/test/actions.cpp index c56fa9266..67e93c765 100644 --- a/lib/app/test/actions.cpp +++ b/lib/app/test/actions.cpp @@ -102,7 +102,7 @@ TEST_CASE( "VTX_APP - Action - Application", "[integration]" ) using namespace VTX::App; App::Fixture app; - Test::Util::App::loadTestMolecule(); + Test::Util::App::loadTestSystem(); std::filesystem::create_directory( Util::Filesystem::getExecutableDir() / "data/actions" ); const FilePath scenePath = Util::Filesystem::getExecutableDir() / "data/actions/scene.vtx"; diff --git a/lib/app/test/entt.cpp b/lib/app/test/entt.cpp index c75f198cb..25e3f54e8 100644 --- a/lib/app/test/entt.cpp +++ b/lib/app/test/entt.cpp @@ -1,18 +1,17 @@ #include "util/app.hpp" -// #include #include #include -#include #include -#include -#include +#include +#include +#include #include #include #include #include #include #include -#include +#include #include #include #include @@ -24,7 +23,7 @@ TEST_CASE( "VTX_APP - Views", "[integration]" ) using namespace VTX::App; App::Fixture app; - Test::Util::App::loadTestMolecule(); + Test::Util::App::loadTestSystem(); App::Core::ECS::View view1Element = SCENE().getAllSceneItems(); REQUIRE( view1Element.size() == 1 ); @@ -33,10 +32,10 @@ TEST_CASE( "VTX_APP - Views", "[integration]" ) = view1Element.getComponent( view1Element.front() ); REQUIRE( sceneItemComponent.getName() == App::Test::Util::App::MOLECULE_TEST_NAME ); - App::Core::ECS::View allMolecules = SCENE().getAllSceneItemsOfType(); - REQUIRE( allMolecules.size() == 1 ); + App::Core::ECS::View allSystems = SCENE().getAllSceneItemsOfType(); + REQUIRE( allSystems.size() == 1 ); - App::Core::ECS::BaseEntity molEntity = allMolecules.front(); + App::Core::ECS::BaseEntity molEntity = allSystems.front(); REQUIRE( molEntity != App::Core::ECS::INVALID_ENTITY ); REQUIRE( SCENE().getAllSceneItems().find( molEntity ) != SCENE().getAllSceneItems().end() ); @@ -57,7 +56,7 @@ TEST_CASE( "VTX_APP - Full sequence", "[integration]" ) bool checked = false; }; - const std::string moleculePathname = App::Test::Util::App::MOLECULE_TEST_NAME + ".mmtf"; + const std::string systemPathname = App::Test::Util::App::MOLECULE_TEST_NAME + ".mmtf"; App::Fixture app; @@ -65,24 +64,24 @@ TEST_CASE( "VTX_APP - Full sequence", "[integration]" ) SCENE().onSceneItemAdded += [ &addSceneItemTest ]( const Component::Scene::SceneItemComponent & p_sceneItem ) { addSceneItemTest.checked = !p_sceneItem.getName().empty(); }; - // Create Molecule - const FilePath moleculePath = App::Filesystem::getInternalDataDir() / moleculePathname; - Action::Scene::LoadMolecule openAction = Action::Scene::LoadMolecule( moleculePath ); + // Create System + const FilePath systemPath = App::Filesystem::getInternalDataDir() / systemPathname; + Action::Scene::LoadSystem openAction = Action::Scene::LoadSystem( systemPath ); openAction.execute(); REQUIRE( addSceneItemTest.checked ); - // Pick first Molecule + // Pick first System REQUIRE( SCENE().getItemCount() == 1 ); - App::Core::ECS::BaseEntity moleculeEntity = SCENE().getItem( 0 ); - REQUIRE( ECS_REGISTRY().isValid( moleculeEntity ) ); + App::Core::ECS::BaseEntity systemEntity = SCENE().getItem( 0 ); + REQUIRE( ECS_REGISTRY().isValid( systemEntity ) ); - moleculeEntity = SCENE().getItem( App::Test::Util::App::MOLECULE_TEST_NAME ); - REQUIRE( ECS_REGISTRY().isValid( moleculeEntity ) ); + systemEntity = SCENE().getItem( App::Test::Util::App::MOLECULE_TEST_NAME ); + REQUIRE( ECS_REGISTRY().isValid( systemEntity ) ); Component::Scene::SceneItemComponent & sceneItem - = ECS_REGISTRY().getComponent( moleculeEntity ); + = ECS_REGISTRY().getComponent( systemEntity ); CallbackTest renameTest = CallbackTest(); @@ -92,16 +91,16 @@ TEST_CASE( "VTX_APP - Full sequence", "[integration]" ) REQUIRE( sceneItem.getName() == "Zouzou" ); REQUIRE( renameTest.checked ); - const App::Core::ECS::View view = SCENE().getAllSceneItemsOfType(); + const App::Core::ECS::View view = SCENE().getAllSceneItemsOfType(); REQUIRE( view.size() == 1 ); - // const Component::Chemistry::Molecule & moleculeComponent - // = ECS_REGISTRY().getComponent( moleculeEntity ); + // const Component::Chemistry::System & systemComponent + // = ECS_REGISTRY().getComponent( systemEntity ); - // const Component::Render::ProxyMolecule & gpuProxyComponent - // = ECS_REGISTRY().getComponent( moleculeEntity ); + // const Component::Render::ProxySystem & gpuProxyComponent + // = ECS_REGISTRY().getComponent( systemEntity ); - // REQUIRE( gpuProxyComponent.getProxy().atomNames == &moleculeComponent.getMoleculeStruct().atomNames ); + // REQUIRE( gpuProxyComponent.getProxy().atomNames == &systemComponent.getSystemStruct().atomNames ); } TEST_CASE( "VTX_APP - Benchmark", "[.][perfs]" ) @@ -109,30 +108,30 @@ TEST_CASE( "VTX_APP - Benchmark", "[.][perfs]" ) using namespace VTX; using namespace VTX::App; - const std::string moleculePathname = App::Test::Util::App::MOLECULE_TEST_NAME + ".mmtf"; + const std::string systemPathname = App::Test::Util::App::MOLECULE_TEST_NAME + ".mmtf"; // Create Scene App::Fixture app; - // Create Molecule - const FilePath moleculePath = App::Filesystem::getInternalDataDir() / moleculePathname; + // Create System + const FilePath systemPath = App::Filesystem::getInternalDataDir() / systemPathname; - Action::Scene::LoadMolecule openAction = Action::Scene::LoadMolecule( moleculePath ); + Action::Scene::LoadSystem openAction = Action::Scene::LoadSystem( systemPath ); openAction.execute(); - BENCHMARK( "Open molecules" ) { openAction.execute(); }; + BENCHMARK( "Open systems" ) { openAction.execute(); }; int i = 0; BENCHMARK( "Get" ) { - App::Core::ECS::BaseEntity moleculeEntity = SCENE().getItem( i ); + App::Core::ECS::BaseEntity systemEntity = SCENE().getItem( i ); i++; }; - App::Core::ECS::BaseEntity moleculeEntity = SCENE().getItem( 0 ); - const Component::Chemistry::Molecule & molecule - = ECS_REGISTRY().getComponent( moleculeEntity ); + App::Core::ECS::BaseEntity systemEntity = SCENE().getItem( 0 ); + const Component::Chemistry::System & system + = ECS_REGISTRY().getComponent( systemEntity ); - const Component::Chemistry::Residue & residue = *molecule.getResidue( 0 ); + const Component::Chemistry::Residue & residue = *system.getResidue( 0 ); size_t sumAtomCount = 0; BENCHMARK( "Data access" ) @@ -143,6 +142,6 @@ TEST_CASE( "VTX_APP - Benchmark", "[.][perfs]" ) BENCHMARK( "View all" ) { - App::Core::ECS::View view = SCENE().getAllSceneItemsOfType(); + App::Core::ECS::View view = SCENE().getAllSceneItemsOfType(); }; } diff --git a/lib/app/test/molecule.cpp b/lib/app/test/molecule.cpp deleted file mode 100644 index e687ce553..000000000 --- a/lib/app/test/molecule.cpp +++ /dev/null @@ -1,328 +0,0 @@ -#include "util/app.hpp" -#include -#include -#include -#include -#include -#include -#include -#include - -TEST_CASE( "VTX_APP - Molecule - Remove", "[unit]" ) -{ - using namespace VTX; - using namespace VTX::App; - using namespace VTX::App::Component::Chemistry; - - App::Fixture app; - Test::Util::App::loadTestMolecule(); - - App::Core::ECS::BaseEntity molEntity = SCENE().getItem( App::Test::Util::App::MOLECULE_TEST_NAME ); - Molecule & moleculeComponent = ECS_REGISTRY().getComponent( molEntity ); - - atom_index_t expectedRemovedAtoms = 0; - bool callbackValidated = 0; - - moleculeComponent.onAtomRemoved += [ & ]( const AtomIndexRangeList & p_atoms ) - { callbackValidated = ( expectedRemovedAtoms == p_atoms.count() ); }; - - // Remove first atom of residue - { - const atom_index_t atomIndex = moleculeComponent.getResidue( 0 )->getIndexFirstAtom(); - Atom * const atom = moleculeComponent.getAtom( atomIndex ); - const Residue * const residue = atom->getResiduePtr(); - - expectedRemovedAtoms = 1; - atom->remove(); - - CHECK( callbackValidated ); - CHECK( moleculeComponent.getAtom( atomIndex ) == nullptr ); - CHECK( !moleculeComponent.getActiveAtoms().contains( atomIndex ) ); - CHECK( residue->getIndexFirstAtom() == ( atomIndex + 1 ) ); - } - // Remove last atom of residue - { - const atom_index_t atomIndex = moleculeComponent.getResidue( 0 )->getIndexLastAtom(); - Atom * const atom = moleculeComponent.getAtom( atomIndex ); - const Residue * const residue = atom->getResiduePtr(); - - atom->remove(); - - CHECK( moleculeComponent.getAtom( atomIndex ) == nullptr ); - CHECK( !moleculeComponent.getActiveAtoms().contains( atomIndex ) ); - CHECK( residue->getIndexLastAtom() == ( atomIndex - 1 ) ); - } - - // Remove first residue - { - const size_t residueIndex = 0; - Residue * const residue = moleculeComponent.getResidue( residueIndex ); - const AtomIndexRange residueAtomRange = residue->getAtomRange(); - const Chain * const chain = residue->getChainPtr(); - - expectedRemovedAtoms = residueAtomRange.getCount(); - residue->remove(); - - CHECK( callbackValidated == true ); - CHECK( moleculeComponent.getResidue( residueIndex ) == nullptr ); - CHECK( !moleculeComponent.getActiveAtoms().contains( residueAtomRange ) ); - - for ( atom_index_t i = residueAtomRange.getFirst(); i <= residueAtomRange.getLast(); i++ ) - { - CHECK( moleculeComponent.getAtom( i ) == nullptr ); - } - CHECK( chain->getIndexFirstResidue() == ( residueIndex + 1 ) ); - } - - // Remove last residue of chain - { - const Chain * const chain = moleculeComponent.getChain( 0 ); - const size_t residueIndex = chain->getIndexLastResidue(); - Residue * const residue = moleculeComponent.getResidue( residueIndex ); - const AtomIndexRange residueAtomRange = residue->getAtomRange(); - - residue->remove(); - - CHECK( moleculeComponent.getResidue( residueIndex ) == nullptr ); - CHECK( !moleculeComponent.getActiveAtoms().contains( residueAtomRange ) ); - - for ( atom_index_t i = residueAtomRange.getFirst(); i <= residueAtomRange.getLast(); i++ ) - { - CHECK( moleculeComponent.getAtom( i ) == nullptr ); - } - CHECK( chain->getIndexLastResidue() == ( residueIndex - 1 ) ); - } - - // Remove first chain - { - const size_t chainIndex = 0; - Chain * const chain = moleculeComponent.getChain( chainIndex ); - const ResidueIndexRange chainResidueRange = chain->getResidueRange(); - const AtomIndexRange chainAtomRange = chain->getAtomRange(); - - expectedRemovedAtoms = chainAtomRange.getCount(); - chain->remove(); - - CHECK( callbackValidated == true ); - CHECK( moleculeComponent.getChain( chainIndex ) == nullptr ); - CHECK( !moleculeComponent.getActiveAtoms().contains( chainAtomRange ) ); - - for ( atom_index_t i = chainAtomRange.getFirst(); i <= chainAtomRange.getLast(); i++ ) - { - CHECK( moleculeComponent.getAtom( i ) == nullptr ); - } - - for ( size_t i = chainResidueRange.getFirst(); i <= chainResidueRange.getLast(); i++ ) - { - CHECK( moleculeComponent.getResidue( i ) == nullptr ); - } - } - - // Remove last atom - { - const size_t defaultAtomSize = moleculeComponent.getAtoms().size(); - const atom_index_t atomIndex = atom_index_t( defaultAtomSize - 1 ); - Atom * const atom = moleculeComponent.getAtom( atomIndex ); - - atom->remove(); - - CHECK( moleculeComponent.getAtoms().size() == ( defaultAtomSize - 1 ) ); - } - - // Remove last residue - { - const size_t defaultResidueSize = moleculeComponent.getResidues().size(); - const size_t defaultAtomSize = moleculeComponent.getAtoms().size(); - - const size_t residueIndex = defaultResidueSize - 1; - Residue & residue = *moleculeComponent.getResidue( residueIndex ); - - const atom_index_t residueAtomCount = residue.getAtomCount(); - - residue.remove(); - - CHECK( moleculeComponent.getAtoms().size() == ( defaultAtomSize - residueAtomCount ) ); - CHECK( moleculeComponent.getResidues().size() == ( defaultResidueSize - 1 ) ); - } - - // Remove last chain - { - const size_t defaultRealChainCount = moleculeComponent.getRealChainCount(); - const size_t defaultRealResidueCount = moleculeComponent.getRealResidueCount(); - const size_t defaultRealAtomCount = moleculeComponent.getRealAtomCount(); - - const size_t defaultChainSize = moleculeComponent.getChains().size(); - const size_t defaultResidueSize = moleculeComponent.getResidues().size(); - const size_t defaultAtomSize = moleculeComponent.getAtoms().size(); - - const size_t chainIndex = defaultChainSize - 1; - Chain & chain = *moleculeComponent.getChain( chainIndex ); - - const size_t chainResidueCount = chain.getResidueCount(); - const atom_index_t chainAtomCount = chain.getIndexLastAtom() - chain.getIndexFirstAtom() + 1; - - chain.remove(); - - CHECK( moleculeComponent.getChains().size() == ( defaultChainSize - 1 ) ); - CHECK( moleculeComponent.getResidues().size() == ( defaultResidueSize - chainResidueCount ) ); - CHECK( moleculeComponent.getAtoms().size() == ( defaultAtomSize - chainAtomCount ) ); - - CHECK( moleculeComponent.getRealChainCount() == ( defaultRealChainCount - 1 ) ); - CHECK( moleculeComponent.getRealResidueCount() == ( defaultRealResidueCount - chainResidueCount ) ); - CHECK( moleculeComponent.getRealAtomCount() == ( defaultRealAtomCount - chainAtomCount ) ); - } -}; - -TEST_CASE( "VTX_APP - Molecule - Visibility", "[unit]" ) -{ - using namespace VTX; - using namespace VTX::App; - using namespace VTX::App::Component::Chemistry; - - App::Fixture app; - Test::Util::App::loadTestMolecule(); - - App::Core::ECS::BaseEntity molEntity = SCENE().getItem( App::Test::Util::App::MOLECULE_TEST_NAME ); - Molecule & moleculeComponent = ECS_REGISTRY().getComponent( molEntity ); - - atom_index_t expectedModifiedAtomCount = 0; - bool callbackValidated = 0; - - moleculeComponent.onVisibilityChange += - [ & ]( const AtomIndexRangeList & p_atoms, const App::Core::VISIBILITY_APPLY_MODE p_applyMode ) - { callbackValidated = ( expectedModifiedAtomCount == p_atoms.count() ); }; - - // Atom visibility - { - const atom_index_t atomIndex = 0; - Atom & atom = *( moleculeComponent.getAtom( atomIndex ) ); - const Residue & residue = *( atom.getConstResiduePtr() ); - - expectedModifiedAtomCount = 1; - - atom.setVisible( false ); - CHECK( callbackValidated ); - CHECK( atom.isVisible() == false ); - CHECK( residue.isVisible() ); - - atom.setVisible( true ); - CHECK( callbackValidated ); - CHECK( atom.isVisible() == true ); - CHECK( residue.isVisible() ); - } - - // Residues visibility - { - Residue & residue = *( moleculeComponent.getResidue( 0 ) ); - const AtomIndexRange atomRange = residue.getAtomRange(); - - expectedModifiedAtomCount = atomRange.getCount(); - - // From residue - { - residue.setVisible( false ); - CHECK( callbackValidated ); - CHECK( moleculeComponent.getAtom( atomRange.getFirst() )->isVisible() == false ); - CHECK( moleculeComponent.getAtom( atomRange.getLast() )->isVisible() == false ); - CHECK( moleculeComponent.getAtom( atomRange.getLast() + 1 )->isVisible() == true ); - CHECK( residue.isVisible() == false ); - - residue.setVisible( true ); - CHECK( callbackValidated ); - CHECK( moleculeComponent.getAtom( atomRange.getFirst() )->isVisible() == true ); - CHECK( moleculeComponent.getAtom( atomRange.getLast() )->isVisible() == true ); - CHECK( residue.isVisible() == true ); - } - - // From atoms - { - moleculeComponent.setVisible( atomRange, false ); - CHECK( callbackValidated ); - CHECK( moleculeComponent.getAtom( atomRange.getFirst() )->isVisible() == false ); - CHECK( moleculeComponent.getAtom( atomRange.getLast() )->isVisible() == false ); - CHECK( moleculeComponent.getAtom( atomRange.getLast() + 1 )->isVisible() == true ); - CHECK( residue.isVisible() == false ); - - moleculeComponent.setVisible( atomRange, true ); - CHECK( callbackValidated ); - CHECK( moleculeComponent.getAtom( atomRange.getFirst() )->isVisible() == true ); - CHECK( moleculeComponent.getAtom( atomRange.getLast() )->isVisible() == true ); - CHECK( residue.isVisible() == true ); - } - } - - // Chains visibility - { - Chain & chain = *( moleculeComponent.getChain( 0 ) ); - Residue & residue = *( moleculeComponent.getResidue( 0 ) ); - const AtomIndexRange atomRange = chain.getAtomRange(); - const ResidueIndexRange residueRange = chain.getResidueRange(); - - expectedModifiedAtomCount = atomRange.getCount(); - - // From chain - { - chain.setVisible( false ); - CHECK( callbackValidated ); - CHECK( moleculeComponent.getAtom( atomRange.getFirst() )->isVisible() == false ); - CHECK( moleculeComponent.getAtom( atomRange.getLast() )->isVisible() == false ); - CHECK( moleculeComponent.getAtom( atomRange.getLast() + 1 )->isVisible() == true ); - CHECK( moleculeComponent.getResidue( residueRange.getFirst() )->isVisible() == false ); - CHECK( moleculeComponent.getResidue( residueRange.getLast() )->isVisible() == false ); - CHECK( moleculeComponent.getResidue( residueRange.getLast() + 1 )->isVisible() == true ); - CHECK( chain.isVisible() == false ); - - chain.setVisible( true ); - CHECK( callbackValidated ); - CHECK( moleculeComponent.getAtom( atomRange.getFirst() )->isVisible() == true ); - CHECK( moleculeComponent.getAtom( atomRange.getLast() )->isVisible() == true ); - CHECK( moleculeComponent.getResidue( residueRange.getFirst() )->isVisible() == true ); - CHECK( moleculeComponent.getResidue( residueRange.getLast() )->isVisible() == true ); - CHECK( chain.isVisible() == true ); - } - - // From residues - { - for ( Residue & residue : chain.residues() ) - residue.setVisible( false ); - - CHECK( moleculeComponent.getAtom( atomRange.getFirst() )->isVisible() == false ); - CHECK( moleculeComponent.getAtom( atomRange.getLast() )->isVisible() == false ); - CHECK( moleculeComponent.getAtom( atomRange.getLast() + 1 )->isVisible() == true ); - CHECK( moleculeComponent.getResidue( residueRange.getFirst() )->isVisible() == false ); - CHECK( moleculeComponent.getResidue( residueRange.getLast() )->isVisible() == false ); - CHECK( moleculeComponent.getResidue( residueRange.getLast() + 1 )->isVisible() == true ); - CHECK( chain.isVisible() == false ); - - for ( Residue & residue : chain.residues() ) - residue.setVisible( true ); - CHECK( moleculeComponent.getAtom( atomRange.getFirst() )->isVisible() == true ); - CHECK( moleculeComponent.getAtom( atomRange.getLast() )->isVisible() == true ); - CHECK( moleculeComponent.getResidue( residueRange.getFirst() )->isVisible() == true ); - CHECK( moleculeComponent.getResidue( residueRange.getLast() )->isVisible() == true ); - CHECK( chain.isVisible() == true ); - } - - // From atoms - { - moleculeComponent.setVisible( atomRange, false ); - - CHECK( callbackValidated ); - CHECK( moleculeComponent.getAtom( atomRange.getFirst() )->isVisible() == false ); - CHECK( moleculeComponent.getAtom( atomRange.getLast() )->isVisible() == false ); - CHECK( moleculeComponent.getAtom( atomRange.getLast() + 1 )->isVisible() == true ); - CHECK( moleculeComponent.getResidue( residueRange.getFirst() )->isVisible() == false ); - CHECK( moleculeComponent.getResidue( residueRange.getLast() )->isVisible() == false ); - CHECK( moleculeComponent.getResidue( residueRange.getLast() + 1 )->isVisible() == true ); - CHECK( chain.isVisible() == false ); - - moleculeComponent.setVisible( atomRange, true ); - CHECK( callbackValidated ); - CHECK( moleculeComponent.getAtom( atomRange.getFirst() )->isVisible() == true ); - CHECK( moleculeComponent.getAtom( atomRange.getLast() )->isVisible() == true ); - CHECK( moleculeComponent.getResidue( residueRange.getFirst() )->isVisible() == true ); - CHECK( moleculeComponent.getResidue( residueRange.getLast() )->isVisible() == true ); - CHECK( chain.isVisible() == true ); - } - } -}; diff --git a/lib/app/test/scene.cpp b/lib/app/test/scene.cpp index 55e189f68..674e23a84 100644 --- a/lib/app/test/scene.cpp +++ b/lib/app/test/scene.cpp @@ -1,6 +1,6 @@ #include "util/app.hpp" #include -#include +#include #include #include #include @@ -12,16 +12,16 @@ TEST_CASE( "VTX_APP - Scene", "[unit]" ) App::Fixture app; - Test::Util::App::loadMolecule( "1AGA.mmtf" ); - SCENE().getComponentByName( "1AGA" ).setName( "1AGA_0" ); - Test::Util::App::loadMolecule( "1AGA.mmtf" ); - SCENE().getComponentByName( "1AGA" ).setName( "1AGA_1" ); - Test::Util::App::loadMolecule( "1AGA.mmtf" ); - SCENE().getComponentByName( "1AGA" ).setName( "1AGA_2" ); - Test::Util::App::loadMolecule( "1AGA.mmtf" ); - SCENE().getComponentByName( "1AGA" ).setName( "1AGA_3" ); - Test::Util::App::loadMolecule( "1AGA.mmtf" ); - SCENE().getComponentByName( "1AGA" ).setName( "1AGA_4" ); + Test::Util::App::loadSystem( "1AGA.mmtf" ); + SCENE().getComponentByName( "1AGA" ).setName( "1AGA_0" ); + Test::Util::App::loadSystem( "1AGA.mmtf" ); + SCENE().getComponentByName( "1AGA" ).setName( "1AGA_1" ); + Test::Util::App::loadSystem( "1AGA.mmtf" ); + SCENE().getComponentByName( "1AGA" ).setName( "1AGA_2" ); + Test::Util::App::loadSystem( "1AGA.mmtf" ); + SCENE().getComponentByName( "1AGA" ).setName( "1AGA_3" ); + Test::Util::App::loadSystem( "1AGA.mmtf" ); + SCENE().getComponentByName( "1AGA" ).setName( "1AGA_4" ); CHECK( SCENE().getItem( 0 ) == SCENE().getItem( "1AGA_0" ) ); CHECK( SCENE().getItem( 1 ) == SCENE().getItem( "1AGA_1" ) ); diff --git a/lib/app/test/selection.cpp b/lib/app/test/selection.cpp index 66d8fc53c..e5b7a559c 100644 --- a/lib/app/test/selection.cpp +++ b/lib/app/test/selection.cpp @@ -1,10 +1,10 @@ #include "util/app.hpp" #include -#include +#include #include #include #include -#include +#include #include #include #include @@ -25,15 +25,13 @@ TEST_CASE( "VTX_APP - Selection", "[unit]" ) App::Fixture app; - Test::Util::App::loadMolecule( "8OIT.mmtf" ); - const Component::Chemistry::Molecule & mol1 - = SCENE().getComponentByName( "8OIT" ); + Test::Util::App::loadSystem( "8OIT.mmtf" ); + const Component::Chemistry::System & mol1 = SCENE().getComponentByName( "8OIT" ); const Component::Scene::Selectable & selectableMol1 = SCENE().getComponentByName( "8OIT" ); - Test::Util::App::loadMolecule( "1AGA.mmtf" ); - const Component::Chemistry::Molecule & mol2 - = SCENE().getComponentByName( "1AGA" ); + Test::Util::App::loadSystem( "1AGA.mmtf" ); + const Component::Chemistry::System & mol2 = SCENE().getComponentByName( "1AGA" ); const Component::Scene::Selectable & selectableMol2 = SCENE().getComponentByName( "1AGA" ); VTX_INFO( "1AGA.mmtf loaded" ); @@ -74,8 +72,8 @@ TEST_CASE( "VTX_APP - Selection", "[unit]" ) CURRENT_SELECTION().clear(); - // std::vector molecules = { &mol1, &mol2 }; - // CURRENT_SELECTION().selectAll( molecules ); + // std::vector systems = { &mol1, &mol2 }; + // CURRENT_SELECTION().selectAll( systems ); // CHECK( CURRENT_SELECTION().areSelected( { &selectableMol1, &selectableMol2 } ) ); } catch ( const std::exception & e ) @@ -84,28 +82,28 @@ TEST_CASE( "VTX_APP - Selection", "[unit]" ) } } -TEST_CASE( "VTX_APP - Selection - Molecules", "[unit]" ) +TEST_CASE( "VTX_APP - Selection - Systems", "[unit]" ) { using namespace VTX; using namespace VTX::App; - using MoleculeData = Application::Selection::MoleculeData; + using SystemData = Application::Selection::SystemData; using AssignmentType = Application::Selection::AssignmentType; using IndexRange = Util::Math::Range; using AtomIndexRange = Util::Math::Range; App::Fixture app; - Test::Util::App::loadMolecule( "1AGA.mmtf" ); - const Component::Chemistry::Molecule & mol1 = SCENE().getComponentByName( "1AGA" ); - const Component::Scene::Selectable & selectableMol1 + Test::Util::App::loadSystem( "1AGA.mmtf" ); + const Component::Chemistry::System & mol1 = SCENE().getComponentByName( "1AGA" ); + const Component::Scene::Selectable & selectableMol1 = SCENE().getComponentByName( "1AGA" ); - MoleculeData & molSelData1 = CURRENT_SELECTION().select( selectableMol1 ); + SystemData & molSelData1 = CURRENT_SELECTION().select( selectableMol1 ); CHECK( CURRENT_SELECTION().isSelected( selectableMol1 ) ); CHECK( molSelData1.isFullySelected() ); - CHECK( molSelData1.getCurrentObjectType() == MoleculeData::CurrentObjectTypeEnum::Molecule ); - CHECK( &molSelData1.getCurrentObjectAsMolecule() == &mol1 ); + CHECK( molSelData1.getCurrentObjectType() == SystemData::CurrentObjectTypeEnum::System ); + CHECK( &molSelData1.getCurrentObjectAsSystem() == &mol1 ); molSelData1.clear(); molSelData1.selectFullChain( *mol1.getChain( 0 ) ); @@ -115,7 +113,7 @@ TEST_CASE( "VTX_APP - Selection - Molecules", "[unit]" ) CHECK( molSelData1.isResidueSelected( 0 ) ); CHECK( molSelData1.isResidueFullySelected( 0 ) ); CHECK( molSelData1.isAtomSelected( 0 ) ); - CHECK( molSelData1.getCurrentObjectType() == MoleculeData::CurrentObjectTypeEnum::Chain ); + CHECK( molSelData1.getCurrentObjectType() == SystemData::CurrentObjectTypeEnum::Chain ); CHECK( &molSelData1.getCurrentObjectAsChain() == mol1.getChain( 0 ) ); molSelData1.unselectAtom( *mol1.getAtom( 0 ) ); @@ -124,7 +122,7 @@ TEST_CASE( "VTX_APP - Selection - Molecules", "[unit]" ) CHECK( molSelData1.isResidueSelected( 0 ) ); CHECK( !molSelData1.isResidueFullySelected( 0 ) ); CHECK( !molSelData1.isAtomSelected( 0 ) ); - CHECK( molSelData1.getCurrentObjectType() == MoleculeData::CurrentObjectTypeEnum::Chain ); + CHECK( molSelData1.getCurrentObjectType() == SystemData::CurrentObjectTypeEnum::Chain ); CHECK( &molSelData1.getCurrentObjectAsChain() == mol1.getChain( 0 ) ); molSelData1.selectAtom( *mol1.getAtom( 0 ) ); @@ -135,7 +133,7 @@ TEST_CASE( "VTX_APP - Selection - Molecules", "[unit]" ) CHECK( molSelData1.isAtomSelected( 0 ) ); molSelData1.setCurrentObject( *mol1.getResidue( 0 ) ); - CHECK( molSelData1.getCurrentObjectType() == MoleculeData::CurrentObjectTypeEnum::Residue ); + CHECK( molSelData1.getCurrentObjectType() == SystemData::CurrentObjectTypeEnum::Residue ); CHECK( &molSelData1.getCurrentObjectAsResidue() == mol1.getResidue( 0 ) ); molSelData1.unselectChain( *mol1.getChain( 0 ) ); @@ -151,9 +149,9 @@ TEST_CASE( "VTX_APP - Selection - Molecules", "[unit]" ) mol1.getChain( 0 )->getIndexFirstAtom(), mol1.getChain( 0 )->getIndexLastAtom() ) ) ); - CHECK( molSelData1.getCurrentObjectType() == MoleculeData::CurrentObjectTypeEnum::None ); + CHECK( molSelData1.getCurrentObjectType() == SystemData::CurrentObjectTypeEnum::None ); - MoleculeData molData2 = MoleculeData( selectableMol1 ); + SystemData molData2 = SystemData( selectableMol1 ); molSelData1.clear(); molData2.clear(); @@ -187,17 +185,17 @@ TEST_CASE( "VTX_APP - Selection - Benchmark", "[.][perfs]" ) App::Fixture app; - Test::Util::App::loadMolecule( "7Y7A.mmtf" ); - const Component::Chemistry::Molecule & mol1 = SCENE().getComponentByName( "7Y7A" ); - const Component::Scene::Selectable & selectableMol1 + Test::Util::App::loadSystem( "7Y7A.mmtf" ); + const Component::Chemistry::System & mol1 = SCENE().getComponentByName( "7Y7A" ); + const Component::Scene::Selectable & selectableMol1 = SCENE().getComponentByName( "7Y7A" ); - BENCHMARK( "Select full molecule" ) { CURRENT_SELECTION().select( selectableMol1 ); }; + BENCHMARK( "Select full system" ) { CURRENT_SELECTION().select( selectableMol1 ); }; - BENCHMARK( "Select molecule worst case" ) + BENCHMARK( "Select system worst case" ) { - Application::Selection::MoleculeData & molData - = CURRENT_SELECTION().select( selectableMol1 ); + Application::Selection::SystemData & molData + = CURRENT_SELECTION().select( selectableMol1 ); const atom_index_t atomCount = atom_index_t( mol1.getAtoms().size() ); for ( atom_index_t i = 0; i < atomCount; i += 2 ) diff --git a/lib/app/test/serialization.cpp b/lib/app/test/serialization.cpp index 68d0e0b01..914ee91d3 100644 --- a/lib/app/test/serialization.cpp +++ b/lib/app/test/serialization.cpp @@ -3,7 +3,7 @@ #include #include #include -#include +#include #include #include #include @@ -291,18 +291,18 @@ TEST_CASE( "VTX_APP - Serialization - Scene", "[unit]" ) using CustomClass = Test::Util::Serialization::CustomClass; App::Fixture app; - Test::Util::App::loadTestTrajectoryMolecule(); + Test::Util::App::loadTestTrajectorySystem(); - const std::string moleculeName = App::Test::Util::App::MOLECULE_TRAJECTORY_TEST_NAME; + const std::string systemName = App::Test::Util::App::MOLECULE_TRAJECTORY_TEST_NAME; - App::Component::Chemistry::Molecule & molecule - = SCENE().getComponentByName( moleculeName ); + App::Component::Chemistry::System & system + = SCENE().getComponentByName( systemName ); - for ( atom_index_t i = molecule.getResidue( 1 )->getIndexFirstAtom(); - i <= molecule.getResidue( 1 )->getIndexLastAtom(); + for ( atom_index_t i = system.getResidue( 1 )->getIndexFirstAtom(); + i <= system.getResidue( 1 )->getIndexLastAtom(); i++ ) { - molecule.getAtom( i )->setVisible( false ); + system.getAtom( i )->setVisible( false ); } const FilePath jsonPath = Util::Filesystem::getExecutableDir() / "data/serialization/scene.vtx"; @@ -318,15 +318,15 @@ TEST_CASE( "VTX_APP - Serialization - Scene", "[unit]" ) CHECK( loadedScene.getItemCount() == 1 ); const App::Component::Scene::SceneItemComponent & sceneItemObj = loadedScene.getComponentByIndex( 0 ); - REQUIRE( sceneItemObj.getName() == moleculeName ); + REQUIRE( sceneItemObj.getName() == systemName ); - const App::Component::Chemistry::Molecule & loadedMolecule - = loadedScene.getComponentByName( moleculeName ); + const App::Component::Chemistry::System & loadedSystem + = loadedScene.getComponentByName( systemName ); - CHECK( loadedMolecule.getAtoms().size() == 263 ); - CHECK( !loadedMolecule.getAtom( loadedMolecule.getResidue( 1 )->getIndexFirstAtom() )->isVisible() ); - CHECK( !loadedMolecule.getAtom( loadedMolecule.getResidue( 1 )->getIndexLastAtom() )->isVisible() ); - // CHECK( molecule.getAtoms().size() == 113095 ); + CHECK( loadedSystem.getAtoms().size() == 263 ); + CHECK( !loadedSystem.getAtom( loadedSystem.getResidue( 1 )->getIndexFirstAtom() )->isVisible() ); + CHECK( !loadedSystem.getAtom( loadedSystem.getResidue( 1 )->getIndexLastAtom() )->isVisible() ); + // CHECK( system.getAtoms().size() == 113095 ); } TEST_CASE( "VTX_APP - Serialization - Settings", "[unit]" ) diff --git a/lib/app/test/system.cpp b/lib/app/test/system.cpp new file mode 100644 index 000000000..a917e93bd --- /dev/null +++ b/lib/app/test/system.cpp @@ -0,0 +1,328 @@ +#include "util/app.hpp" +#include +#include +#include +#include +#include +#include +#include +#include + +TEST_CASE( "VTX_APP - System - Remove", "[unit]" ) +{ + using namespace VTX; + using namespace VTX::App; + using namespace VTX::App::Component::Chemistry; + + App::Fixture app; + Test::Util::App::loadTestSystem(); + + App::Core::ECS::BaseEntity molEntity = SCENE().getItem( App::Test::Util::App::MOLECULE_TEST_NAME ); + System & systemComponent = ECS_REGISTRY().getComponent( molEntity ); + + atom_index_t expectedRemovedAtoms = 0; + bool callbackValidated = 0; + + systemComponent.onAtomRemoved += [ & ]( const AtomIndexRangeList & p_atoms ) + { callbackValidated = ( expectedRemovedAtoms == p_atoms.count() ); }; + + // Remove first atom of residue + { + const atom_index_t atomIndex = systemComponent.getResidue( 0 )->getIndexFirstAtom(); + Atom * const atom = systemComponent.getAtom( atomIndex ); + const Residue * const residue = atom->getResiduePtr(); + + expectedRemovedAtoms = 1; + atom->remove(); + + CHECK( callbackValidated ); + CHECK( systemComponent.getAtom( atomIndex ) == nullptr ); + CHECK( !systemComponent.getActiveAtoms().contains( atomIndex ) ); + CHECK( residue->getIndexFirstAtom() == ( atomIndex + 1 ) ); + } + // Remove last atom of residue + { + const atom_index_t atomIndex = systemComponent.getResidue( 0 )->getIndexLastAtom(); + Atom * const atom = systemComponent.getAtom( atomIndex ); + const Residue * const residue = atom->getResiduePtr(); + + atom->remove(); + + CHECK( systemComponent.getAtom( atomIndex ) == nullptr ); + CHECK( !systemComponent.getActiveAtoms().contains( atomIndex ) ); + CHECK( residue->getIndexLastAtom() == ( atomIndex - 1 ) ); + } + + // Remove first residue + { + const size_t residueIndex = 0; + Residue * const residue = systemComponent.getResidue( residueIndex ); + const AtomIndexRange residueAtomRange = residue->getAtomRange(); + const Chain * const chain = residue->getChainPtr(); + + expectedRemovedAtoms = residueAtomRange.getCount(); + residue->remove(); + + CHECK( callbackValidated == true ); + CHECK( systemComponent.getResidue( residueIndex ) == nullptr ); + CHECK( !systemComponent.getActiveAtoms().contains( residueAtomRange ) ); + + for ( atom_index_t i = residueAtomRange.getFirst(); i <= residueAtomRange.getLast(); i++ ) + { + CHECK( systemComponent.getAtom( i ) == nullptr ); + } + CHECK( chain->getIndexFirstResidue() == ( residueIndex + 1 ) ); + } + + // Remove last residue of chain + { + const Chain * const chain = systemComponent.getChain( 0 ); + const size_t residueIndex = chain->getIndexLastResidue(); + Residue * const residue = systemComponent.getResidue( residueIndex ); + const AtomIndexRange residueAtomRange = residue->getAtomRange(); + + residue->remove(); + + CHECK( systemComponent.getResidue( residueIndex ) == nullptr ); + CHECK( !systemComponent.getActiveAtoms().contains( residueAtomRange ) ); + + for ( atom_index_t i = residueAtomRange.getFirst(); i <= residueAtomRange.getLast(); i++ ) + { + CHECK( systemComponent.getAtom( i ) == nullptr ); + } + CHECK( chain->getIndexLastResidue() == ( residueIndex - 1 ) ); + } + + // Remove first chain + { + const size_t chainIndex = 0; + Chain * const chain = systemComponent.getChain( chainIndex ); + const ResidueIndexRange chainResidueRange = chain->getResidueRange(); + const AtomIndexRange chainAtomRange = chain->getAtomRange(); + + expectedRemovedAtoms = chainAtomRange.getCount(); + chain->remove(); + + CHECK( callbackValidated == true ); + CHECK( systemComponent.getChain( chainIndex ) == nullptr ); + CHECK( !systemComponent.getActiveAtoms().contains( chainAtomRange ) ); + + for ( atom_index_t i = chainAtomRange.getFirst(); i <= chainAtomRange.getLast(); i++ ) + { + CHECK( systemComponent.getAtom( i ) == nullptr ); + } + + for ( size_t i = chainResidueRange.getFirst(); i <= chainResidueRange.getLast(); i++ ) + { + CHECK( systemComponent.getResidue( i ) == nullptr ); + } + } + + // Remove last atom + { + const size_t defaultAtomSize = systemComponent.getAtoms().size(); + const atom_index_t atomIndex = atom_index_t( defaultAtomSize - 1 ); + Atom * const atom = systemComponent.getAtom( atomIndex ); + + atom->remove(); + + CHECK( systemComponent.getAtoms().size() == ( defaultAtomSize - 1 ) ); + } + + // Remove last residue + { + const size_t defaultResidueSize = systemComponent.getResidues().size(); + const size_t defaultAtomSize = systemComponent.getAtoms().size(); + + const size_t residueIndex = defaultResidueSize - 1; + Residue & residue = *systemComponent.getResidue( residueIndex ); + + const atom_index_t residueAtomCount = residue.getAtomCount(); + + residue.remove(); + + CHECK( systemComponent.getAtoms().size() == ( defaultAtomSize - residueAtomCount ) ); + CHECK( systemComponent.getResidues().size() == ( defaultResidueSize - 1 ) ); + } + + // Remove last chain + { + const size_t defaultRealChainCount = systemComponent.getRealChainCount(); + const size_t defaultRealResidueCount = systemComponent.getRealResidueCount(); + const size_t defaultRealAtomCount = systemComponent.getRealAtomCount(); + + const size_t defaultChainSize = systemComponent.getChains().size(); + const size_t defaultResidueSize = systemComponent.getResidues().size(); + const size_t defaultAtomSize = systemComponent.getAtoms().size(); + + const size_t chainIndex = defaultChainSize - 1; + Chain & chain = *systemComponent.getChain( chainIndex ); + + const size_t chainResidueCount = chain.getResidueCount(); + const atom_index_t chainAtomCount = chain.getIndexLastAtom() - chain.getIndexFirstAtom() + 1; + + chain.remove(); + + CHECK( systemComponent.getChains().size() == ( defaultChainSize - 1 ) ); + CHECK( systemComponent.getResidues().size() == ( defaultResidueSize - chainResidueCount ) ); + CHECK( systemComponent.getAtoms().size() == ( defaultAtomSize - chainAtomCount ) ); + + CHECK( systemComponent.getRealChainCount() == ( defaultRealChainCount - 1 ) ); + CHECK( systemComponent.getRealResidueCount() == ( defaultRealResidueCount - chainResidueCount ) ); + CHECK( systemComponent.getRealAtomCount() == ( defaultRealAtomCount - chainAtomCount ) ); + } +}; + +TEST_CASE( "VTX_APP - System - Visibility", "[unit]" ) +{ + using namespace VTX; + using namespace VTX::App; + using namespace VTX::App::Component::Chemistry; + + App::Fixture app; + Test::Util::App::loadTestSystem(); + + App::Core::ECS::BaseEntity molEntity = SCENE().getItem( App::Test::Util::App::MOLECULE_TEST_NAME ); + System & systemComponent = ECS_REGISTRY().getComponent( molEntity ); + + atom_index_t expectedModifiedAtomCount = 0; + bool callbackValidated = 0; + + systemComponent.onVisibilityChange += + [ & ]( const AtomIndexRangeList & p_atoms, const App::Core::VISIBILITY_APPLY_MODE p_applyMode ) + { callbackValidated = ( expectedModifiedAtomCount == p_atoms.count() ); }; + + // Atom visibility + { + const atom_index_t atomIndex = 0; + Atom & atom = *( systemComponent.getAtom( atomIndex ) ); + const Residue & residue = *( atom.getConstResiduePtr() ); + + expectedModifiedAtomCount = 1; + + atom.setVisible( false ); + CHECK( callbackValidated ); + CHECK( atom.isVisible() == false ); + CHECK( residue.isVisible() ); + + atom.setVisible( true ); + CHECK( callbackValidated ); + CHECK( atom.isVisible() == true ); + CHECK( residue.isVisible() ); + } + + // Residues visibility + { + Residue & residue = *( systemComponent.getResidue( 0 ) ); + const AtomIndexRange atomRange = residue.getAtomRange(); + + expectedModifiedAtomCount = atomRange.getCount(); + + // From residue + { + residue.setVisible( false ); + CHECK( callbackValidated ); + CHECK( systemComponent.getAtom( atomRange.getFirst() )->isVisible() == false ); + CHECK( systemComponent.getAtom( atomRange.getLast() )->isVisible() == false ); + CHECK( systemComponent.getAtom( atomRange.getLast() + 1 )->isVisible() == true ); + CHECK( residue.isVisible() == false ); + + residue.setVisible( true ); + CHECK( callbackValidated ); + CHECK( systemComponent.getAtom( atomRange.getFirst() )->isVisible() == true ); + CHECK( systemComponent.getAtom( atomRange.getLast() )->isVisible() == true ); + CHECK( residue.isVisible() == true ); + } + + // From atoms + { + systemComponent.setVisible( atomRange, false ); + CHECK( callbackValidated ); + CHECK( systemComponent.getAtom( atomRange.getFirst() )->isVisible() == false ); + CHECK( systemComponent.getAtom( atomRange.getLast() )->isVisible() == false ); + CHECK( systemComponent.getAtom( atomRange.getLast() + 1 )->isVisible() == true ); + CHECK( residue.isVisible() == false ); + + systemComponent.setVisible( atomRange, true ); + CHECK( callbackValidated ); + CHECK( systemComponent.getAtom( atomRange.getFirst() )->isVisible() == true ); + CHECK( systemComponent.getAtom( atomRange.getLast() )->isVisible() == true ); + CHECK( residue.isVisible() == true ); + } + } + + // Chains visibility + { + Chain & chain = *( systemComponent.getChain( 0 ) ); + Residue & residue = *( systemComponent.getResidue( 0 ) ); + const AtomIndexRange atomRange = chain.getAtomRange(); + const ResidueIndexRange residueRange = chain.getResidueRange(); + + expectedModifiedAtomCount = atomRange.getCount(); + + // From chain + { + chain.setVisible( false ); + CHECK( callbackValidated ); + CHECK( systemComponent.getAtom( atomRange.getFirst() )->isVisible() == false ); + CHECK( systemComponent.getAtom( atomRange.getLast() )->isVisible() == false ); + CHECK( systemComponent.getAtom( atomRange.getLast() + 1 )->isVisible() == true ); + CHECK( systemComponent.getResidue( residueRange.getFirst() )->isVisible() == false ); + CHECK( systemComponent.getResidue( residueRange.getLast() )->isVisible() == false ); + CHECK( systemComponent.getResidue( residueRange.getLast() + 1 )->isVisible() == true ); + CHECK( chain.isVisible() == false ); + + chain.setVisible( true ); + CHECK( callbackValidated ); + CHECK( systemComponent.getAtom( atomRange.getFirst() )->isVisible() == true ); + CHECK( systemComponent.getAtom( atomRange.getLast() )->isVisible() == true ); + CHECK( systemComponent.getResidue( residueRange.getFirst() )->isVisible() == true ); + CHECK( systemComponent.getResidue( residueRange.getLast() )->isVisible() == true ); + CHECK( chain.isVisible() == true ); + } + + // From residues + { + for ( Residue & residue : chain.residues() ) + residue.setVisible( false ); + + CHECK( systemComponent.getAtom( atomRange.getFirst() )->isVisible() == false ); + CHECK( systemComponent.getAtom( atomRange.getLast() )->isVisible() == false ); + CHECK( systemComponent.getAtom( atomRange.getLast() + 1 )->isVisible() == true ); + CHECK( systemComponent.getResidue( residueRange.getFirst() )->isVisible() == false ); + CHECK( systemComponent.getResidue( residueRange.getLast() )->isVisible() == false ); + CHECK( systemComponent.getResidue( residueRange.getLast() + 1 )->isVisible() == true ); + CHECK( chain.isVisible() == false ); + + for ( Residue & residue : chain.residues() ) + residue.setVisible( true ); + CHECK( systemComponent.getAtom( atomRange.getFirst() )->isVisible() == true ); + CHECK( systemComponent.getAtom( atomRange.getLast() )->isVisible() == true ); + CHECK( systemComponent.getResidue( residueRange.getFirst() )->isVisible() == true ); + CHECK( systemComponent.getResidue( residueRange.getLast() )->isVisible() == true ); + CHECK( chain.isVisible() == true ); + } + + // From atoms + { + systemComponent.setVisible( atomRange, false ); + + CHECK( callbackValidated ); + CHECK( systemComponent.getAtom( atomRange.getFirst() )->isVisible() == false ); + CHECK( systemComponent.getAtom( atomRange.getLast() )->isVisible() == false ); + CHECK( systemComponent.getAtom( atomRange.getLast() + 1 )->isVisible() == true ); + CHECK( systemComponent.getResidue( residueRange.getFirst() )->isVisible() == false ); + CHECK( systemComponent.getResidue( residueRange.getLast() )->isVisible() == false ); + CHECK( systemComponent.getResidue( residueRange.getLast() + 1 )->isVisible() == true ); + CHECK( chain.isVisible() == false ); + + systemComponent.setVisible( atomRange, true ); + CHECK( callbackValidated ); + CHECK( systemComponent.getAtom( atomRange.getFirst() )->isVisible() == true ); + CHECK( systemComponent.getAtom( atomRange.getLast() )->isVisible() == true ); + CHECK( systemComponent.getResidue( residueRange.getFirst() )->isVisible() == true ); + CHECK( systemComponent.getResidue( residueRange.getLast() )->isVisible() == true ); + CHECK( chain.isVisible() == true ); + } + } +}; diff --git a/lib/app/test/trajectories.cpp b/lib/app/test/trajectories.cpp index c43d800be..b74b21dd3 100644 --- a/lib/app/test/trajectories.cpp +++ b/lib/app/test/trajectories.cpp @@ -1,6 +1,6 @@ #include "util/app.hpp" #include -#include +#include #include #include #include @@ -20,11 +20,11 @@ TEST_CASE( "VTX_APP - Trajectory", "[integration]" ) using namespace VTX::App; App::Fixture app; - Test::Util::App::loadTestTrajectoryMolecule(); + Test::Util::App::loadTestTrajectorySystem(); App::Core::ECS::BaseEntity molEntity = SCENE().getItem( App::Test::Util::App::MOLECULE_TRAJECTORY_TEST_NAME ); - App::Component::Chemistry::Molecule & moleculeComponent - = ECS_REGISTRY().getComponent( molEntity ); + App::Component::Chemistry::System & systemComponent + = ECS_REGISTRY().getComponent( molEntity ); App::Component::Chemistry::Trajectory & trajectoryComponent = ECS_REGISTRY().getComponent( molEntity ); diff --git a/lib/app/test/util/app.cpp b/lib/app/test/util/app.cpp index a350c721d..84134aef4 100644 --- a/lib/app/test/util/app.cpp +++ b/lib/app/test/util/app.cpp @@ -11,16 +11,16 @@ namespace VTX::App::Test::Util { - void App::loadMolecule( const std::string & p_moleculePath ) + void App::loadSystem( const std::string & p_systemPath ) { - // Create Molecule - const FilePath moleculePath = VTX::App::Filesystem::getInternalDataDir() / p_moleculePath; - Action::Scene::LoadMolecule loadMoleculeAction = Action::Scene::LoadMolecule( moleculePath ); - loadMoleculeAction.execute(); + // Create System + const FilePath systemPath = VTX::App::Filesystem::getInternalDataDir() / p_systemPath; + Action::Scene::LoadSystem loadSystemAction = Action::Scene::LoadSystem( systemPath ); + loadSystemAction.execute(); } - void App::loadTestMolecule() { loadMolecule( MOLECULE_TEST_NAME_EXT ); } - void App::loadTestTrajectoryMolecule() { loadMolecule( MOLECULE_TRAJECTORY_TEST_NAME_EXT ); } + void App::loadTestSystem() { loadSystem( MOLECULE_TEST_NAME_EXT ); } + void App::loadTestTrajectorySystem() { loadSystem( MOLECULE_TRAJECTORY_TEST_NAME_EXT ); } bool App::checkItemOrder( const VTX::App::Application::Scene & p_scene, diff --git a/lib/app/test/util/app.hpp b/lib/app/test/util/app.hpp index 068c7cabd..9207c1228 100644 --- a/lib/app/test/util/app.hpp +++ b/lib/app/test/util/app.hpp @@ -20,9 +20,9 @@ namespace VTX::App::Test::Util inline static const std::string MOLECULE_TRAJECTORY_TEST_NAME = "1NIM"; inline static const std::string MOLECULE_TRAJECTORY_TEST_NAME_EXT = MOLECULE_TRAJECTORY_TEST_NAME + ".mmtf"; - static void loadMolecule( const std::string & p_moleculePath ); - static void loadTestMolecule(); - static void loadTestTrajectoryMolecule(); + static void loadSystem( const std::string & p_systemPath ); + static void loadTestSystem(); + static void loadTestTrajectorySystem(); static bool checkItemOrder( const VTX::App::Application::Scene & p_scene, diff --git a/lib/core/include/core/chemdb/color.hpp b/lib/core/include/core/chemdb/color.hpp index b9d393108..dea2e45e0 100644 --- a/lib/core/include/core/chemdb/color.hpp +++ b/lib/core/include/core/chemdb/color.hpp @@ -583,7 +583,7 @@ namespace VTX::Core::ChemDB::Color INHERITED }; static const std::vector COLOR_MODE_STRING { "Atom-Chain", "Atom-Object", "Atom-Custom", "Residue", - "Chain", "Molecule", "Custom", "Inherited" }; + "Chain", "System", "Custom", "Inherited" }; enum class COLOR_BLENDING_MODE : int { HARD, @@ -600,7 +600,7 @@ namespace VTX::Core::ChemDB::Color CUSTOM }; inline static const std::vector SECONDARY_STRUCTURE_COLOR_MODE_STRING { "JMOL", - "Molecule", + "System", "Chain", "Residue", "Custom" }; diff --git a/lib/core/include/core/struct/molecule.hpp b/lib/core/include/core/struct/system.hpp similarity index 59% rename from lib/core/include/core/struct/molecule.hpp rename to lib/core/include/core/struct/system.hpp index d8dd25b47..b388f2cc5 100644 --- a/lib/core/include/core/struct/molecule.hpp +++ b/lib/core/include/core/struct/system.hpp @@ -1,5 +1,5 @@ -#ifndef __VTX_CORE_STRUCT_MOLECULE__ -#define __VTX_CORE_STRUCT_MOLECULE__ +#ifndef __VTX_CORE_STRUCT_SYSTEM__ +#define __VTX_CORE_STRUCT_SYSTEM__ #include "core/chemdb/atom.hpp" #include "core/chemdb/bond.hpp" @@ -17,11 +17,11 @@ namespace VTX::Core::Struct { - struct Molecule + struct System { static const int CATEGORY_COUNT = int( ChemDB::Category::TYPE::COUNT ); - Molecule(); + System(); std::string name = "unknown"; Mat4f transform = MAT4F_ID; @@ -35,30 +35,42 @@ namespace VTX::Core::Struct Struct::Category & getCategory( const ChemDB::Category::TYPE p_categoryType ); const Struct::Category & getCategory( const ChemDB::Category::TYPE p_categoryType ) const; - // Chain data + // Chain data - all indexes are in sync std::vector chainNames; - std::vector chainFirstResidues; - std::vector chainResidueCounts; + /** + * @brief Indexes of the first of the residues that compose each chain. All residues with index between + * vector[N] and vector[N+1] are considered part of the chain N + */ + std::vector chainFirstResidues; + std::vector chainResidueCounts; void initChains( const size_t p_count ); void appendNewChain(); size_t getChainCount() const; - // Residue data - std::vector residueSymbols; - std::vector residueChainIndexes; - std::vector residueFirstAtomIndexes; - std::vector residueAtomCounts; + // Residue data - all indexes are in sync + std::vector residueSymbols; + std::vector residueChainIndexes; + /** + * @brief Indexes of the first of the atoms that compose each residues. All atoms with index between vector[N] + * and vector[N+1] are considered part of the residue N + */ + std::vector residueFirstAtomIndexes; + std::vector residueAtomCounts; + /** + * @brief Indexes of the first of the bond that compose each residues. All bonds with index between vector[N] + * and vector[N+1] are considered part of the residue N + */ std::vector residueFirstBondIndexes; std::vector residueBondCounts; std::vector residueOriginalIds; std::vector residueSecondaryStructureTypes; - std::vector residueUnknownNames; + std::vector residueUnknownNames; // TODO : migrate toward unordered_map void initResidues( const size_t p_count ); size_t getResidueCount() const; - // Atom data + // Atom data - all indexes are in sync std::vector atomSymbols; std::vector atomResidueIndexes; std::vector atomNames; @@ -68,7 +80,10 @@ namespace VTX::Core::Struct // Bond data std::vector bondOrders; - std::vector bondPairAtomIndexes; + /** + * @brief This vector works by associating atomidx at vector[N] with vector[N+1] where N is even. + */ + std::vector bondPairAtomIndexes; void initBonds( const size_t p_count ); size_t getBondCount() const; diff --git a/lib/core/include/core/struct/trajectory.hpp b/lib/core/include/core/struct/trajectory.hpp index 3721283ee..4bd78e60b 100644 --- a/lib/core/include/core/struct/trajectory.hpp +++ b/lib/core/include/core/struct/trajectory.hpp @@ -6,12 +6,15 @@ namespace VTX::Core::Struct { + /** + * @brief Each index is correlated with other vector's that contains atom's data + */ using Frame = std::vector; struct Trajectory { - void fillFrame( const size_t p_moleculeFrameIndex, const std::vector & p_atomPositions ) + void fillFrame( const size_t p_systemFrameIndex, const std::vector & p_atomPositions ) { - Frame & frame = frames[ p_moleculeFrameIndex ]; + Frame & frame = frames[ p_systemFrameIndex ]; frame.resize( p_atomPositions.size() ); std::copy( p_atomPositions.begin(), p_atomPositions.end(), frame.begin() ); diff --git a/lib/core/src/core/struct/molecule.cpp b/lib/core/src/core/struct/system.cpp similarity index 67% rename from lib/core/src/core/struct/molecule.cpp rename to lib/core/src/core/struct/system.cpp index 23f0bf360..dc444b8ff 100644 --- a/lib/core/src/core/struct/molecule.cpp +++ b/lib/core/src/core/struct/system.cpp @@ -1,10 +1,10 @@ -#include "core/struct/molecule.hpp" #include "core/chemdb/secondary_structure.hpp" +#include "core/struct/system.hpp" #include namespace VTX::Core::Struct { - Molecule::Molecule() + System::System() { for ( size_t i = 0; i < CATEGORY_COUNT; i++ ) { @@ -12,32 +12,32 @@ namespace VTX::Core::Struct } } // Categories - Struct::Category & Molecule::getCategory( const ChemDB::Category::TYPE p_categoryType ) + Struct::Category & System::getCategory( const ChemDB::Category::TYPE p_categoryType ) { return *( categories[ size_t( p_categoryType ) ] ); } - const Struct::Category & Molecule::getCategory( const ChemDB::Category::TYPE p_categoryType ) const + const Struct::Category & System::getCategory( const ChemDB::Category::TYPE p_categoryType ) const { return *( categories[ size_t( p_categoryType ) ] ); } // Chain data - void Molecule::initChains( const size_t p_count ) + void System::initChains( const size_t p_count ) { chainNames.resize( p_count ); chainFirstResidues.resize( p_count, INVALID_INDEX ); chainResidueCounts.resize( p_count, 0 ); } - void Molecule::appendNewChain() + void System::appendNewChain() { chainNames.emplace_back( "" ); chainFirstResidues.emplace_back( INVALID_INDEX ); chainResidueCounts.emplace_back( 0 ); } - size_t Molecule::getChainCount() const { return chainNames.size(); } + size_t System::getChainCount() const { return chainNames.size(); } // Residue data - void Molecule::initResidues( const size_t p_count ) + void System::initResidues( const size_t p_count ) { residueSymbols.resize( p_count, ChemDB::Residue::SYMBOL::UNKNOWN ); residueChainIndexes.resize( p_count, INVALID_INDEX ); @@ -49,10 +49,10 @@ namespace VTX::Core::Struct residueSecondaryStructureTypes.resize( p_count, ChemDB::SecondaryStructure::TYPE::UNKNOWN ); residueUnknownNames.resize( p_count ); } - size_t Molecule::getResidueCount() const { return residueSymbols.size(); } + size_t System::getResidueCount() const { return residueSymbols.size(); } // Atom data - void Molecule::initAtoms( const size_t p_count ) + void System::initAtoms( const size_t p_count ) { assert( p_count < std::numeric_limits::max() ); @@ -60,14 +60,14 @@ namespace VTX::Core::Struct atomResidueIndexes.resize( p_count, INVALID_INDEX ); atomNames.resize( p_count ); } - size_t Molecule::getAtomCount() const { return atomSymbols.size(); } + size_t System::getAtomCount() const { return atomSymbols.size(); } // Bond data - void Molecule::initBonds( const size_t p_count ) + void System::initBonds( const size_t p_count ) { bondOrders.resize( p_count, ChemDB::Bond::ORDER::UNKNOWN ); bondPairAtomIndexes.resize( p_count * 2, INVALID_ATOM_INDEX ); } - size_t Molecule::getBondCount() const { return bondOrders.size(); } + size_t System::getBondCount() const { return bondOrders.size(); } } // namespace VTX::Core::Struct diff --git a/lib/io/cmake/library.cmake b/lib/io/cmake/library.cmake index 3f8ae8023..7ce2276ec 100644 --- a/lib/io/cmake/library.cmake +++ b/lib/io/cmake/library.cmake @@ -17,7 +17,32 @@ if (NOT DEFINED _VTX_IO_CONAN) target_link_libraries(vtx_io PRIVATE vtx_util) target_link_libraries(vtx_io PRIVATE vtx_core) target_link_libraries(vtx_io_test PRIVATE vtx_util) - target_link_libraries(vtx_io_test PRIVATE vtx_core) + target_link_libraries(vtx_io_test PRIVATE vtx_core) + + # WIP + add_executable(vtx_io_new_process "${CMAKE_CURRENT_LIST_DIR}/../test/new_process/new_process.cpp") + target_include_directories(vtx_io_new_process PRIVATE "${CMAKE_CURRENT_LIST_DIR}/../test/include;") + configure_target(vtx_io_new_process) + + target_link_libraries(vtx_io_new_process PRIVATE vtx_util) + target_link_libraries(vtx_io_new_process PRIVATE vtx_core) + target_link_libraries(vtx_io_new_process PRIVATE LibArchive::LibArchive) + target_link_libraries(vtx_io_new_process PRIVATE vtx_io) + target_link_libraries(vtx_io_new_process PRIVATE Boost::headers) + + add_executable(vtx_io_pdb100 "${CMAKE_CURRENT_LIST_DIR}/../test/new_process/pdb100.cpp") + target_compile_definitions(vtx_io_pdb100 PRIVATE PDB_DATABASE_DIR="C:/Users/Valen/data/pdb100") + target_compile_definitions(vtx_io_pdb100 PRIVATE NUM_PROCESSES=24) + target_include_directories(vtx_io_pdb100 PRIVATE "${CMAKE_CURRENT_LIST_DIR}/../test/include;") + configure_target(vtx_io_pdb100) + target_link_libraries(vtx_io_pdb100 PRIVATE vtx_util) + target_link_libraries(vtx_io_pdb100 PRIVATE vtx_core) + target_link_libraries(vtx_io_pdb100 PRIVATE LibArchive::LibArchive) + target_link_libraries(vtx_io_pdb100 PRIVATE vtx_io) + target_link_libraries(vtx_io_pdb100 PRIVATE Boost::headers) + add_dependencies(vtx_io_pdb100 vtx_io_new_process ) + # !WIP + else() target_link_libraries(vtx_io PRIVATE vtx_util::vtx_util) target_link_libraries(vtx_io PRIVATE vtx_core::vtx_core) @@ -25,6 +50,10 @@ else() target_link_libraries(vtx_io_test PRIVATE vtx_core::vtx_core) endif() + + + + target_link_libraries(vtx_io PRIVATE chemfiles::chemfiles) target_link_libraries(vtx_io_test PRIVATE vtx_io) target_link_libraries(vtx_io_test PRIVATE Catch2::Catch2WithMain) diff --git a/lib/io/data/1idx.cif b/lib/io/data/1idx.cif new file mode 100644 index 000000000..6a5e97871 --- /dev/null +++ b/lib/io/data/1idx.cif @@ -0,0 +1,4722 @@ +data_1IDX +# +_entry.id 1IDX +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.392 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 1IDX pdb_00001idx 10.2210/pdb1idx/pdb +RCSB RCSB013191 ? ? +WWPDB D_1000013191 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2002-05-08 +2 'Structure model' 1 1 2008-04-27 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2022-02-23 +5 'Structure model' 1 4 2024-05-22 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Data collection' +4 4 'Structure model' 'Database references' +5 4 'Structure model' 'Derived calculations' +6 5 'Structure model' 'Data collection' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 4 'Structure model' database_2 +2 4 'Structure model' pdbx_nmr_software +3 4 'Structure model' pdbx_struct_assembly +4 4 'Structure model' pdbx_struct_oper_list +5 5 'Structure model' chem_comp_atom +6 5 'Structure model' chem_comp_bond +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 4 'Structure model' '_database_2.pdbx_DOI' +2 4 'Structure model' '_database_2.pdbx_database_accession' +3 4 'Structure model' '_pdbx_nmr_software.name' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 1IDX +_pdbx_database_status.recvd_initial_deposition_date 2001-04-05 +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.SG_entry . +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.status_code_sf ? +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.status_code_nmr_data ? +_pdbx_database_status.methods_development_category ? +# +loop_ +_pdbx_database_related.db_name +_pdbx_database_related.db_id +_pdbx_database_related.details +_pdbx_database_related.content_type +PDB 1II1 'Structural Basis for Poor Uracil Excision from Hairpin DNA: NMR Study' unspecified +PDB 1QE7 'Solution structure of a uracil containing hairpin DNA.' unspecified +PDB 1DGO 'Structural basis for Uracil DNA Glycosylase interaction with Uracil: NMR study' unspecified +BMRB 4536 'Structural basis for Uracil DNA Glycosylase interaction with Uracil: NMR study' unspecified +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Ghosh, M.' 1 +'Rumpal, N.' 2 +'Varshney, U.' 3 +'Chary, K.V.' 4 +# +_citation.id primary +_citation.title 'Structural basis for poor uracil excision from hairpin DNA. An NMR study.' +_citation.journal_abbrev Eur.J.Biochem. +_citation.journal_volume 269 +_citation.page_first 1886 +_citation.page_last 1894 +_citation.year 2002 +_citation.journal_id_ASTM EJBCAI +_citation.country IX +_citation.journal_id_ISSN 0014-2956 +_citation.journal_id_CSD 0262 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed 11952790 +_citation.pdbx_database_id_DOI 10.1046/j.1432-1033.2002.02837.x +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Ghosh, M.' 1 ? +primary 'Rumpal, N.' 2 ? +primary 'Varshney, U.' 3 ? +primary 'Chary, K.V.' 4 ? +# +_entity.id 1 +_entity.type polymer +_entity.src_method syn +_entity.pdbx_description "5'-D(*AP*GP*GP*AP*TP*CP*CP*TP*TP*UP*TP*GP*GP*AP*TP*CP*CP*T)-3'" +_entity.formula_weight 5483.537 +_entity.pdbx_number_of_molecules 1 +_entity.pdbx_ec ? +_entity.pdbx_mutation ? +_entity.pdbx_fragment ? +_entity.details 'Uracil containing hairpin DNA' +# +_entity_poly.entity_id 1 +_entity_poly.type polydeoxyribonucleotide +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code '(DA)(DG)(DG)(DA)(DT)(DC)(DC)(DT)(DT)(DU)(DT)(DG)(DG)(DA)(DT)(DC)(DC)(DT)' +_entity_poly.pdbx_seq_one_letter_code_can AGGATCCTTUTGGATCCT +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 DA n +1 2 DG n +1 3 DG n +1 4 DA n +1 5 DT n +1 6 DC n +1 7 DC n +1 8 DT n +1 9 DT n +1 10 DU n +1 11 DT n +1 12 DG n +1 13 DG n +1 14 DA n +1 15 DT n +1 16 DC n +1 17 DC n +1 18 DT n +# +_pdbx_entity_src_syn.entity_id 1 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num ? +_pdbx_entity_src_syn.pdbx_end_seq_num ? +_pdbx_entity_src_syn.organism_scientific ? +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id ? +_pdbx_entity_src_syn.details 'Custom made by Ransom Hill Biosciences, Inc., Ramona CA (USA)' +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +DA 'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.222 +DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.197 +DG 'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221 +DT 'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE" ? 'C10 H15 N2 O8 P' 322.208 +DU 'DNA linking' y "2'-DEOXYURIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O8 P' 308.182 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 DA 1 1 1 DA A A . n +A 1 2 DG 2 2 2 DG G A . n +A 1 3 DG 3 3 3 DG G A . n +A 1 4 DA 4 4 4 DA A A . n +A 1 5 DT 5 5 5 DT T A . n +A 1 6 DC 6 6 6 DC C A . n +A 1 7 DC 7 7 7 DC C A . n +A 1 8 DT 8 8 8 DT T A . n +A 1 9 DT 9 9 9 DT T A . n +A 1 10 DU 10 1 1 DU U A B n +A 1 11 DT 11 2 2 DT T A B n +A 1 12 DG 12 3 3 DG G A B n +A 1 13 DG 13 4 4 DG G A B n +A 1 14 DA 14 5 5 DA A A B n +A 1 15 DT 15 6 6 DT T A B n +A 1 16 DC 16 7 7 DC C A B n +A 1 17 DC 17 8 8 DC C A B n +A 1 18 DT 18 9 9 DT T A B n +# +_exptl.entry_id 1IDX +_exptl.method 'SOLUTION NMR' +_exptl.crystals_number ? +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews ? +_exptl_crystal.density_percent_sol ? +_exptl_crystal.description ? +# +_diffrn.id 1 +_diffrn.ambient_temp ? +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator ? +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type ? +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength . +_diffrn_radiation_wavelength.wt 1.0 +# +_database_PDB_matrix.entry_id 1IDX +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_struct.entry_id 1IDX +_struct.title 'Structural Basis for Poor Excision from Hairpin DNA: NMR Study' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1IDX +_struct_keywords.pdbx_keywords DNA +_struct_keywords.text 'Uracil, Hairpin DNA, Hairpin loop, Double helix, UDG-Uracil interaction, DNA' +# +_struct_asym.id A +_struct_asym.pdbx_blank_PDB_chainid_flag N +_struct_asym.pdbx_modified N +_struct_asym.entity_id 1 +_struct_asym.details ? +# +_struct_ref.id 1 +_struct_ref.entity_id 1 +_struct_ref.db_name PDB +_struct_ref.db_code 1IDX +_struct_ref.pdbx_db_accession 1IDX +_struct_ref.pdbx_db_isoform ? +_struct_ref.pdbx_seq_one_letter_code ? +_struct_ref.pdbx_align_begin ? +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1IDX +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 18 +_struct_ref_seq.pdbx_seq_align_end_ins_code B +_struct_ref_seq.pdbx_db_accession 1IDX +_struct_ref_seq.db_align_beg 1 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 9 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 9 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details monomeric +_pdbx_struct_assembly.oligomeric_count 1 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +_struct_biol.id 1 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +_struct_conn.pdbx_role +hydrog1 hydrog ? ? A DA 1 N1 ? ? ? 1_555 A DT 18 N3 ? B A DA 1 A DT 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog2 hydrog ? ? A DA 1 N6 ? ? ? 1_555 A DT 18 O4 ? B A DA 1 A DT 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog3 hydrog ? ? A DG 2 N1 ? ? ? 1_555 A DC 17 N3 ? B A DG 2 A DC 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog4 hydrog ? ? A DG 2 N2 ? ? ? 1_555 A DC 17 O2 ? B A DG 2 A DC 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog5 hydrog ? ? A DG 2 O6 ? ? ? 1_555 A DC 17 N4 ? B A DG 2 A DC 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog6 hydrog ? ? A DG 3 N1 ? ? ? 1_555 A DC 16 N3 ? B A DG 3 A DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog7 hydrog ? ? A DG 3 N2 ? ? ? 1_555 A DC 16 O2 ? B A DG 3 A DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog8 hydrog ? ? A DG 3 O6 ? ? ? 1_555 A DC 16 N4 ? B A DG 3 A DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog9 hydrog ? ? A DA 4 N1 ? ? ? 1_555 A DT 15 N3 ? B A DA 4 A DT 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog10 hydrog ? ? A DA 4 N6 ? ? ? 1_555 A DT 15 O4 ? B A DA 4 A DT 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog11 hydrog ? ? A DT 5 N3 ? ? ? 1_555 A DA 14 N1 ? B A DT 5 A DA 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog12 hydrog ? ? A DT 5 O4 ? ? ? 1_555 A DA 14 N6 ? B A DT 5 A DA 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog13 hydrog ? ? A DC 6 N3 ? ? ? 1_555 A DG 13 N1 ? B A DC 6 A DG 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog14 hydrog ? ? A DC 6 N4 ? ? ? 1_555 A DG 13 O6 ? B A DC 6 A DG 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog15 hydrog ? ? A DC 6 O2 ? ? ? 1_555 A DG 13 N2 ? B A DC 6 A DG 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog16 hydrog ? ? A DC 7 N3 ? ? ? 1_555 A DG 12 N1 ? B A DC 7 A DG 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog17 hydrog ? ? A DC 7 N4 ? ? ? 1_555 A DG 12 O6 ? B A DC 7 A DG 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog18 hydrog ? ? A DC 7 O2 ? ? ? 1_555 A DG 12 N2 ? B A DC 7 A DG 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog19 hydrog ? ? A DT 8 N3 ? ? ? 1_555 A DT 11 O2 ? B A DT 8 A DT 2 1_555 ? ? ? ? ? ? TYPE_16_PAIR ? ? ? +hydrog20 hydrog ? ? A DT 8 O4 ? ? ? 1_555 A DT 11 N3 ? B A DT 8 A DT 2 1_555 ? ? ? ? ? ? TYPE_16_PAIR ? ? ? +# +_struct_conn_type.id hydrog +_struct_conn_type.criteria ? +_struct_conn_type.reference ? +# +loop_ +_pdbx_validate_rmsd_bond.id +_pdbx_validate_rmsd_bond.PDB_model_num +_pdbx_validate_rmsd_bond.auth_atom_id_1 +_pdbx_validate_rmsd_bond.auth_asym_id_1 +_pdbx_validate_rmsd_bond.auth_comp_id_1 +_pdbx_validate_rmsd_bond.auth_seq_id_1 +_pdbx_validate_rmsd_bond.PDB_ins_code_1 +_pdbx_validate_rmsd_bond.label_alt_id_1 +_pdbx_validate_rmsd_bond.auth_atom_id_2 +_pdbx_validate_rmsd_bond.auth_asym_id_2 +_pdbx_validate_rmsd_bond.auth_comp_id_2 +_pdbx_validate_rmsd_bond.auth_seq_id_2 +_pdbx_validate_rmsd_bond.PDB_ins_code_2 +_pdbx_validate_rmsd_bond.label_alt_id_2 +_pdbx_validate_rmsd_bond.bond_value +_pdbx_validate_rmsd_bond.bond_target_value +_pdbx_validate_rmsd_bond.bond_deviation +_pdbx_validate_rmsd_bond.bond_standard_deviation +_pdbx_validate_rmsd_bond.linker_flag +1 1 N1 A DU 1 B ? C6 A DU 1 B ? 1.477 1.375 0.102 0.009 N +2 2 N1 A DU 1 B ? C6 A DU 1 B ? 1.478 1.375 0.103 0.009 N +3 3 N1 A DU 1 B ? C6 A DU 1 B ? 1.478 1.375 0.103 0.009 N +4 4 N1 A DU 1 B ? C6 A DU 1 B ? 1.476 1.375 0.101 0.009 N +5 5 N1 A DU 1 B ? C6 A DU 1 B ? 1.477 1.375 0.102 0.009 N +6 6 N1 A DU 1 B ? C6 A DU 1 B ? 1.478 1.375 0.103 0.009 N +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 110.63 108.30 2.33 0.30 N +2 1 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.80 117.00 -3.20 0.50 N +3 1 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.24 117.70 3.54 0.50 N +4 1 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 114.61 118.60 -3.99 0.60 N +5 1 "O4'" A DG 3 ? ? "C1'" A DG 3 ? ? N9 A DG 3 ? ? 110.20 108.30 1.90 0.30 N +6 1 "O4'" A DA 4 ? ? "C1'" A DA 4 ? ? N9 A DA 4 ? ? 111.47 108.30 3.17 0.30 N +7 1 C4 A DA 4 ? ? C5 A DA 4 ? ? C6 A DA 4 ? ? 113.71 117.00 -3.29 0.50 N +8 1 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.10 117.70 3.40 0.50 N +9 1 N1 A DA 4 ? ? C6 A DA 4 ? ? N6 A DA 4 ? ? 113.82 118.60 -4.78 0.60 N +10 1 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? N1 A DT 5 ? ? 110.62 108.30 2.32 0.30 N +11 1 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 119.11 122.90 -3.79 0.60 N +12 1 "O4'" A DC 6 ? ? "C1'" A DC 6 ? ? N1 A DC 6 ? ? 112.94 108.30 4.64 0.30 N +13 1 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 110.18 108.30 1.88 0.30 N +14 1 "O4'" A DT 8 ? ? "C1'" A DT 8 ? ? "C2'" A DT 8 ? ? 100.55 105.90 -5.35 0.80 N +15 1 "O4'" A DT 8 ? ? "C1'" A DT 8 ? ? N1 A DT 8 ? ? 111.11 108.30 2.81 0.30 N +16 1 N3 A DT 8 ? ? C2 A DT 8 ? ? O2 A DT 8 ? ? 117.46 122.30 -4.84 0.60 N +17 1 C6 A DT 8 ? ? C5 A DT 8 ? ? C7 A DT 8 ? ? 118.33 122.90 -4.57 0.60 N +18 1 C6 A DT 9 ? ? N1 A DT 9 ? ? C2 A DT 9 ? ? 116.01 121.30 -5.29 0.50 N +19 1 C2 A DT 9 ? ? N3 A DT 9 ? ? C4 A DT 9 ? ? 123.45 127.20 -3.75 0.60 N +20 1 C5 A DT 9 ? ? C6 A DT 9 ? ? N1 A DT 9 ? ? 118.34 123.70 -5.36 0.60 N +21 1 C6 A DT 9 ? ? N1 A DT 9 ? ? "C1'" A DT 9 ? ? 131.04 120.40 10.64 1.50 N +22 1 "O4'" A DU 1 B ? "C1'" A DU 1 B ? N1 A DU 1 B ? 110.93 108.30 2.63 0.30 N +23 1 N1 A DU 1 B ? C2 A DU 1 B ? N3 A DU 1 B ? 120.58 114.90 5.68 0.60 N +24 1 N3 A DU 1 B ? C2 A DU 1 B ? O2 A DU 1 B ? 116.22 122.20 -5.98 0.70 N +25 1 "O4'" A DT 2 B ? "C1'" A DT 2 B ? N1 A DT 2 B ? 111.40 108.30 3.10 0.30 N +26 1 N3 A DT 2 B ? C2 A DT 2 B ? O2 A DT 2 B ? 117.74 122.30 -4.56 0.60 N +27 1 C6 A DT 2 B ? C5 A DT 2 B ? C7 A DT 2 B ? 118.58 122.90 -4.32 0.60 N +28 1 "O4'" A DG 3 B ? "C1'" A DG 3 B ? "C2'" A DG 3 B ? 100.95 105.90 -4.95 0.80 N +29 1 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 115.01 108.30 6.71 0.30 N +30 1 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 110.19 108.30 1.89 0.30 N +31 1 "O4'" A DA 5 B ? "C1'" A DA 5 B ? "C2'" A DA 5 B ? 100.84 105.90 -5.06 0.80 N +32 1 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.54 117.70 3.84 0.50 N +33 1 "O4'" A DT 6 B ? "C1'" A DT 6 B ? N1 A DT 6 B ? 111.36 108.30 3.06 0.30 N +34 1 N3 A DT 6 B ? C2 A DT 6 B ? O2 A DT 6 B ? 118.35 122.30 -3.95 0.60 N +35 1 C6 A DT 6 B ? C5 A DT 6 B ? C7 A DT 6 B ? 119.13 122.90 -3.77 0.60 N +36 1 "O4'" A DC 7 B ? "C1'" A DC 7 B ? N1 A DC 7 B ? 111.42 108.30 3.12 0.30 N +37 1 "O4'" A DC 8 B ? "C1'" A DC 8 B ? N1 A DC 8 B ? 110.13 108.30 1.83 0.30 N +38 1 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.65 122.30 -3.65 0.60 N +39 1 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 119.01 122.90 -3.89 0.60 N +40 2 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 110.24 108.30 1.94 0.30 N +41 2 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.86 117.00 -3.14 0.50 N +42 2 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.16 117.70 3.46 0.50 N +43 2 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 114.50 118.60 -4.10 0.60 N +44 2 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? "C2'" A DG 2 ? ? 101.08 105.90 -4.82 0.80 N +45 2 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9 A DG 2 ? ? 112.61 108.30 4.31 0.30 N +46 2 C5 A DG 2 ? ? C6 A DG 2 ? ? N1 A DG 2 ? ? 114.54 111.50 3.04 0.50 N +47 2 "O4'" A DA 4 ? ? "C1'" A DA 4 ? ? N9 A DA 4 ? ? 112.18 108.30 3.88 0.30 N +48 2 C4 A DA 4 ? ? C5 A DA 4 ? ? C6 A DA 4 ? ? 113.84 117.00 -3.16 0.50 N +49 2 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.43 117.70 3.73 0.50 N +50 2 N1 A DA 4 ? ? C6 A DA 4 ? ? N6 A DA 4 ? ? 114.66 118.60 -3.94 0.60 N +51 2 N3 A DT 5 ? ? C2 A DT 5 ? ? O2 A DT 5 ? ? 118.21 122.30 -4.09 0.60 N +52 2 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 119.10 122.90 -3.80 0.60 N +53 2 "O4'" A DT 8 ? ? "C1'" A DT 8 ? ? "C2'" A DT 8 ? ? 100.45 105.90 -5.45 0.80 N +54 2 "O4'" A DT 8 ? ? "C1'" A DT 8 ? ? N1 A DT 8 ? ? 111.55 108.30 3.25 0.30 N +55 2 N3 A DT 8 ? ? C2 A DT 8 ? ? O2 A DT 8 ? ? 117.60 122.30 -4.70 0.60 N +56 2 C6 A DT 8 ? ? C5 A DT 8 ? ? C7 A DT 8 ? ? 118.38 122.90 -4.52 0.60 N +57 2 C6 A DT 9 ? ? N1 A DT 9 ? ? C2 A DT 9 ? ? 116.12 121.30 -5.18 0.50 N +58 2 C5 A DT 9 ? ? C6 A DT 9 ? ? N1 A DT 9 ? ? 118.54 123.70 -5.16 0.60 N +59 2 N3 A DT 9 ? ? C2 A DT 9 ? ? O2 A DT 9 ? ? 118.68 122.30 -3.62 0.60 N +60 2 C6 A DT 9 ? ? N1 A DT 9 ? ? "C1'" A DT 9 ? ? 130.91 120.40 10.51 1.50 N +61 2 "O4'" A DU 1 B ? "C1'" A DU 1 B ? N1 A DU 1 B ? 111.02 108.30 2.72 0.30 N +62 2 N1 A DU 1 B ? C2 A DU 1 B ? N3 A DU 1 B ? 120.76 114.90 5.86 0.60 N +63 2 N3 A DU 1 B ? C2 A DU 1 B ? O2 A DU 1 B ? 115.86 122.20 -6.34 0.70 N +64 2 "O4'" A DT 2 B ? "C1'" A DT 2 B ? N1 A DT 2 B ? 111.40 108.30 3.10 0.30 N +65 2 N3 A DT 2 B ? C2 A DT 2 B ? O2 A DT 2 B ? 118.20 122.30 -4.10 0.60 N +66 2 C6 A DT 2 B ? C5 A DT 2 B ? C7 A DT 2 B ? 119.01 122.90 -3.89 0.60 N +67 2 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 115.32 108.30 7.02 0.30 N +68 2 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 110.29 108.30 1.99 0.30 N +69 2 "O4'" A DA 5 B ? "C1'" A DA 5 B ? "C2'" A DA 5 B ? 100.65 105.90 -5.25 0.80 N +70 2 "O4'" A DA 5 B ? "C1'" A DA 5 B ? N9 A DA 5 B ? 111.18 108.30 2.88 0.30 N +71 2 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.56 117.70 3.86 0.50 N +72 2 N3 A DT 6 B ? C2 A DT 6 B ? O2 A DT 6 B ? 118.00 122.30 -4.30 0.60 N +73 2 C6 A DT 6 B ? C5 A DT 6 B ? C7 A DT 6 B ? 119.06 122.90 -3.84 0.60 N +74 2 "O4'" A DC 7 B ? "C1'" A DC 7 B ? N1 A DC 7 B ? 112.60 108.30 4.30 0.30 N +75 2 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.54 122.30 -3.76 0.60 N +76 2 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.95 122.90 -3.95 0.60 N +77 3 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? "C2'" A DA 1 ? ? 100.50 105.90 -5.40 0.80 N +78 3 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 114.58 108.30 6.28 0.30 N +79 3 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.55 117.00 -3.45 0.50 N +80 3 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.12 117.70 3.42 0.50 N +81 3 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 113.08 118.60 -5.52 0.60 N +82 3 "O4'" A DG 3 ? ? "C1'" A DG 3 ? ? N9 A DG 3 ? ? 110.52 108.30 2.22 0.30 N +83 3 C5 A DG 3 ? ? C6 A DG 3 ? ? N1 A DG 3 ? ? 114.53 111.50 3.03 0.50 N +84 3 C4 A DA 4 ? ? C5 A DA 4 ? ? C6 A DA 4 ? ? 113.87 117.00 -3.13 0.50 N +85 3 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.22 117.70 3.52 0.50 N +86 3 N1 A DA 4 ? ? C6 A DA 4 ? ? N6 A DA 4 ? ? 114.19 118.60 -4.41 0.60 N +87 3 N3 A DT 5 ? ? C2 A DT 5 ? ? O2 A DT 5 ? ? 118.50 122.30 -3.80 0.60 N +88 3 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 119.13 122.90 -3.77 0.60 N +89 3 "O4'" A DC 6 ? ? "C1'" A DC 6 ? ? N1 A DC 6 ? ? 112.03 108.30 3.73 0.30 N +90 3 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 110.82 108.30 2.52 0.30 N +91 3 "O4'" A DT 8 ? ? "C1'" A DT 8 ? ? "C2'" A DT 8 ? ? 100.01 105.90 -5.89 0.80 N +92 3 "O4'" A DT 8 ? ? "C1'" A DT 8 ? ? N1 A DT 8 ? ? 112.04 108.30 3.74 0.30 N +93 3 N3 A DT 8 ? ? C2 A DT 8 ? ? O2 A DT 8 ? ? 117.43 122.30 -4.87 0.60 N +94 3 C6 A DT 8 ? ? C5 A DT 8 ? ? C7 A DT 8 ? ? 118.61 122.90 -4.29 0.60 N +95 3 C6 A DT 9 ? ? N1 A DT 9 ? ? C2 A DT 9 ? ? 116.26 121.30 -5.04 0.50 N +96 3 C2 A DT 9 ? ? N3 A DT 9 ? ? C4 A DT 9 ? ? 123.50 127.20 -3.70 0.60 N +97 3 C5 A DT 9 ? ? C6 A DT 9 ? ? N1 A DT 9 ? ? 118.26 123.70 -5.44 0.60 N +98 3 C6 A DT 9 ? ? N1 A DT 9 ? ? "C1'" A DT 9 ? ? 130.47 120.40 10.07 1.50 N +99 3 "O4'" A DU 1 B ? "C1'" A DU 1 B ? N1 A DU 1 B ? 110.91 108.30 2.61 0.30 N +100 3 N1 A DU 1 B ? C2 A DU 1 B ? N3 A DU 1 B ? 120.55 114.90 5.65 0.60 N +101 3 N3 A DU 1 B ? C2 A DU 1 B ? O2 A DU 1 B ? 116.23 122.20 -5.97 0.70 N +102 3 "O4'" A DT 2 B ? "C1'" A DT 2 B ? N1 A DT 2 B ? 111.14 108.30 2.84 0.30 N +103 3 N3 A DT 2 B ? C2 A DT 2 B ? O2 A DT 2 B ? 117.90 122.30 -4.40 0.60 N +104 3 C6 A DT 2 B ? C5 A DT 2 B ? C7 A DT 2 B ? 118.62 122.90 -4.28 0.60 N +105 3 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 115.76 108.30 7.46 0.30 N +106 3 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 112.89 108.30 4.59 0.30 N +107 3 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.28 117.70 3.58 0.50 N +108 3 "O4'" A DT 6 B ? "C1'" A DT 6 B ? N1 A DT 6 B ? 111.42 108.30 3.12 0.30 N +109 3 N3 A DT 6 B ? C2 A DT 6 B ? O2 A DT 6 B ? 118.59 122.30 -3.71 0.60 N +110 3 C6 A DT 6 B ? C5 A DT 6 B ? C7 A DT 6 B ? 118.87 122.90 -4.03 0.60 N +111 3 "O4'" A DT 9 B ? "C1'" A DT 9 B ? N1 A DT 9 B ? 110.18 108.30 1.88 0.30 N +112 3 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.56 122.30 -3.74 0.60 N +113 3 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.79 122.90 -4.11 0.60 N +114 4 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 110.34 108.30 2.04 0.30 N +115 4 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.88 117.00 -3.12 0.50 N +116 4 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.15 117.70 3.45 0.50 N +117 4 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 114.69 118.60 -3.91 0.60 N +118 4 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9 A DG 2 ? ? 110.36 108.30 2.06 0.30 N +119 4 "O4'" A DA 4 ? ? "C1'" A DA 4 ? ? N9 A DA 4 ? ? 111.81 108.30 3.51 0.30 N +120 4 C4 A DA 4 ? ? C5 A DA 4 ? ? C6 A DA 4 ? ? 113.73 117.00 -3.27 0.50 N +121 4 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.07 117.70 3.37 0.50 N +122 4 N1 A DA 4 ? ? C6 A DA 4 ? ? N6 A DA 4 ? ? 114.06 118.60 -4.54 0.60 N +123 4 N3 A DT 5 ? ? C2 A DT 5 ? ? O2 A DT 5 ? ? 118.31 122.30 -3.99 0.60 N +124 4 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 119.10 122.90 -3.80 0.60 N +125 4 "O4'" A DC 6 ? ? "C1'" A DC 6 ? ? N1 A DC 6 ? ? 112.49 108.30 4.19 0.30 N +126 4 "O4'" A DT 8 ? ? "C1'" A DT 8 ? ? "C2'" A DT 8 ? ? 100.59 105.90 -5.31 0.80 N +127 4 "O4'" A DT 8 ? ? "C1'" A DT 8 ? ? N1 A DT 8 ? ? 111.39 108.30 3.09 0.30 N +128 4 N3 A DT 8 ? ? C2 A DT 8 ? ? O2 A DT 8 ? ? 117.49 122.30 -4.81 0.60 N +129 4 C6 A DT 8 ? ? C5 A DT 8 ? ? C7 A DT 8 ? ? 118.44 122.90 -4.46 0.60 N +130 4 C6 A DT 9 ? ? N1 A DT 9 ? ? C2 A DT 9 ? ? 116.13 121.30 -5.17 0.50 N +131 4 C5 A DT 9 ? ? C6 A DT 9 ? ? N1 A DT 9 ? ? 118.51 123.70 -5.19 0.60 N +132 4 C6 A DT 9 ? ? N1 A DT 9 ? ? "C1'" A DT 9 ? ? 130.86 120.40 10.46 1.50 N +133 4 "O4'" A DU 1 B ? "C1'" A DU 1 B ? N1 A DU 1 B ? 111.68 108.30 3.38 0.30 N +134 4 N1 A DU 1 B ? C2 A DU 1 B ? N3 A DU 1 B ? 120.46 114.90 5.56 0.60 N +135 4 N3 A DU 1 B ? C2 A DU 1 B ? O2 A DU 1 B ? 116.46 122.20 -5.74 0.70 N +136 4 "O4'" A DT 2 B ? "C1'" A DT 2 B ? N1 A DT 2 B ? 111.35 108.30 3.05 0.30 N +137 4 N3 A DT 2 B ? C2 A DT 2 B ? O2 A DT 2 B ? 117.91 122.30 -4.39 0.60 N +138 4 C6 A DT 2 B ? C5 A DT 2 B ? C7 A DT 2 B ? 118.59 122.90 -4.31 0.60 N +139 4 "O4'" A DG 3 B ? "C1'" A DG 3 B ? "C2'" A DG 3 B ? 100.66 105.90 -5.24 0.80 N +140 4 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 115.05 108.30 6.75 0.30 N +141 4 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 110.14 108.30 1.84 0.30 N +142 4 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.61 117.70 3.91 0.50 N +143 4 "O4'" A DT 6 B ? "C1'" A DT 6 B ? N1 A DT 6 B ? 112.12 108.30 3.82 0.30 N +144 4 N3 A DT 6 B ? C2 A DT 6 B ? O2 A DT 6 B ? 118.33 122.30 -3.97 0.60 N +145 4 C6 A DT 6 B ? C5 A DT 6 B ? C7 A DT 6 B ? 118.70 122.90 -4.20 0.60 N +146 4 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.60 122.30 -3.70 0.60 N +147 4 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.91 122.90 -3.99 0.60 N +148 5 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 110.63 108.30 2.33 0.30 N +149 5 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.80 117.00 -3.20 0.50 N +150 5 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.24 117.70 3.54 0.50 N +151 5 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 114.61 118.60 -3.99 0.60 N +152 5 "O4'" A DG 3 ? ? "C1'" A DG 3 ? ? N9 A DG 3 ? ? 110.20 108.30 1.90 0.30 N +153 5 "O4'" A DA 4 ? ? "C1'" A DA 4 ? ? N9 A DA 4 ? ? 111.47 108.30 3.17 0.30 N +154 5 C4 A DA 4 ? ? C5 A DA 4 ? ? C6 A DA 4 ? ? 113.71 117.00 -3.29 0.50 N +155 5 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.10 117.70 3.40 0.50 N +156 5 N1 A DA 4 ? ? C6 A DA 4 ? ? N6 A DA 4 ? ? 113.82 118.60 -4.78 0.60 N +157 5 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? N1 A DT 5 ? ? 110.62 108.30 2.32 0.30 N +158 5 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 119.11 122.90 -3.79 0.60 N +159 5 "O4'" A DC 6 ? ? "C1'" A DC 6 ? ? N1 A DC 6 ? ? 112.94 108.30 4.64 0.30 N +160 5 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 110.18 108.30 1.88 0.30 N +161 5 "O4'" A DT 8 ? ? "C1'" A DT 8 ? ? "C2'" A DT 8 ? ? 100.55 105.90 -5.35 0.80 N +162 5 "O4'" A DT 8 ? ? "C1'" A DT 8 ? ? N1 A DT 8 ? ? 111.11 108.30 2.81 0.30 N +163 5 N3 A DT 8 ? ? C2 A DT 8 ? ? O2 A DT 8 ? ? 117.46 122.30 -4.84 0.60 N +164 5 C6 A DT 8 ? ? C5 A DT 8 ? ? C7 A DT 8 ? ? 118.33 122.90 -4.57 0.60 N +165 5 C6 A DT 9 ? ? N1 A DT 9 ? ? C2 A DT 9 ? ? 116.01 121.30 -5.29 0.50 N +166 5 C2 A DT 9 ? ? N3 A DT 9 ? ? C4 A DT 9 ? ? 123.45 127.20 -3.75 0.60 N +167 5 C5 A DT 9 ? ? C6 A DT 9 ? ? N1 A DT 9 ? ? 118.34 123.70 -5.36 0.60 N +168 5 C6 A DT 9 ? ? N1 A DT 9 ? ? "C1'" A DT 9 ? ? 131.04 120.40 10.64 1.50 N +169 5 "O4'" A DU 1 B ? "C1'" A DU 1 B ? N1 A DU 1 B ? 110.93 108.30 2.63 0.30 N +170 5 N1 A DU 1 B ? C2 A DU 1 B ? N3 A DU 1 B ? 120.58 114.90 5.68 0.60 N +171 5 N3 A DU 1 B ? C2 A DU 1 B ? O2 A DU 1 B ? 116.22 122.20 -5.98 0.70 N +172 5 "O4'" A DT 2 B ? "C1'" A DT 2 B ? N1 A DT 2 B ? 111.40 108.30 3.10 0.30 N +173 5 N3 A DT 2 B ? C2 A DT 2 B ? O2 A DT 2 B ? 117.74 122.30 -4.56 0.60 N +174 5 C6 A DT 2 B ? C5 A DT 2 B ? C7 A DT 2 B ? 118.58 122.90 -4.32 0.60 N +175 5 "O4'" A DG 3 B ? "C1'" A DG 3 B ? "C2'" A DG 3 B ? 100.95 105.90 -4.95 0.80 N +176 5 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 115.01 108.30 6.71 0.30 N +177 5 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 110.19 108.30 1.89 0.30 N +178 5 "O4'" A DA 5 B ? "C1'" A DA 5 B ? "C2'" A DA 5 B ? 100.84 105.90 -5.06 0.80 N +179 5 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.54 117.70 3.84 0.50 N +180 5 "O4'" A DT 6 B ? "C1'" A DT 6 B ? N1 A DT 6 B ? 111.36 108.30 3.06 0.30 N +181 5 N3 A DT 6 B ? C2 A DT 6 B ? O2 A DT 6 B ? 118.35 122.30 -3.95 0.60 N +182 5 C6 A DT 6 B ? C5 A DT 6 B ? C7 A DT 6 B ? 119.13 122.90 -3.77 0.60 N +183 5 "O4'" A DC 7 B ? "C1'" A DC 7 B ? N1 A DC 7 B ? 111.42 108.30 3.12 0.30 N +184 5 "O4'" A DC 8 B ? "C1'" A DC 8 B ? N1 A DC 8 B ? 110.13 108.30 1.83 0.30 N +185 5 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.65 122.30 -3.65 0.60 N +186 5 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 119.01 122.90 -3.89 0.60 N +187 6 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 110.24 108.30 1.94 0.30 N +188 6 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.86 117.00 -3.14 0.50 N +189 6 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.16 117.70 3.46 0.50 N +190 6 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 114.50 118.60 -4.10 0.60 N +191 6 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? "C2'" A DG 2 ? ? 101.08 105.90 -4.82 0.80 N +192 6 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9 A DG 2 ? ? 112.61 108.30 4.31 0.30 N +193 6 C5 A DG 2 ? ? C6 A DG 2 ? ? N1 A DG 2 ? ? 114.54 111.50 3.04 0.50 N +194 6 "O4'" A DA 4 ? ? "C1'" A DA 4 ? ? N9 A DA 4 ? ? 112.18 108.30 3.88 0.30 N +195 6 C4 A DA 4 ? ? C5 A DA 4 ? ? C6 A DA 4 ? ? 113.84 117.00 -3.16 0.50 N +196 6 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.43 117.70 3.73 0.50 N +197 6 N1 A DA 4 ? ? C6 A DA 4 ? ? N6 A DA 4 ? ? 114.66 118.60 -3.94 0.60 N +198 6 N3 A DT 5 ? ? C2 A DT 5 ? ? O2 A DT 5 ? ? 118.21 122.30 -4.09 0.60 N +199 6 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 119.10 122.90 -3.80 0.60 N +200 6 "O4'" A DT 8 ? ? "C1'" A DT 8 ? ? "C2'" A DT 8 ? ? 100.45 105.90 -5.45 0.80 N +201 6 "O4'" A DT 8 ? ? "C1'" A DT 8 ? ? N1 A DT 8 ? ? 111.55 108.30 3.25 0.30 N +202 6 N3 A DT 8 ? ? C2 A DT 8 ? ? O2 A DT 8 ? ? 117.60 122.30 -4.70 0.60 N +203 6 C6 A DT 8 ? ? C5 A DT 8 ? ? C7 A DT 8 ? ? 118.38 122.90 -4.52 0.60 N +204 6 C6 A DT 9 ? ? N1 A DT 9 ? ? C2 A DT 9 ? ? 116.12 121.30 -5.18 0.50 N +205 6 C5 A DT 9 ? ? C6 A DT 9 ? ? N1 A DT 9 ? ? 118.54 123.70 -5.16 0.60 N +206 6 N3 A DT 9 ? ? C2 A DT 9 ? ? O2 A DT 9 ? ? 118.68 122.30 -3.62 0.60 N +207 6 C6 A DT 9 ? ? N1 A DT 9 ? ? "C1'" A DT 9 ? ? 130.91 120.40 10.51 1.50 N +208 6 "O4'" A DU 1 B ? "C1'" A DU 1 B ? N1 A DU 1 B ? 111.02 108.30 2.72 0.30 N +209 6 N1 A DU 1 B ? C2 A DU 1 B ? N3 A DU 1 B ? 120.76 114.90 5.86 0.60 N +210 6 N3 A DU 1 B ? C2 A DU 1 B ? O2 A DU 1 B ? 115.86 122.20 -6.34 0.70 N +211 6 "O4'" A DT 2 B ? "C1'" A DT 2 B ? N1 A DT 2 B ? 111.40 108.30 3.10 0.30 N +212 6 N3 A DT 2 B ? C2 A DT 2 B ? O2 A DT 2 B ? 118.20 122.30 -4.10 0.60 N +213 6 C6 A DT 2 B ? C5 A DT 2 B ? C7 A DT 2 B ? 119.01 122.90 -3.89 0.60 N +214 6 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 115.32 108.30 7.02 0.30 N +215 6 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 110.29 108.30 1.99 0.30 N +216 6 "O4'" A DA 5 B ? "C1'" A DA 5 B ? "C2'" A DA 5 B ? 100.65 105.90 -5.25 0.80 N +217 6 "O4'" A DA 5 B ? "C1'" A DA 5 B ? N9 A DA 5 B ? 111.18 108.30 2.88 0.30 N +218 6 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.56 117.70 3.86 0.50 N +219 6 N3 A DT 6 B ? C2 A DT 6 B ? O2 A DT 6 B ? 118.00 122.30 -4.30 0.60 N +220 6 C6 A DT 6 B ? C5 A DT 6 B ? C7 A DT 6 B ? 119.06 122.90 -3.84 0.60 N +221 6 "O4'" A DC 7 B ? "C1'" A DC 7 B ? N1 A DC 7 B ? 112.60 108.30 4.30 0.30 N +222 6 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.54 122.30 -3.76 0.60 N +223 6 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.95 122.90 -3.95 0.60 N +# +loop_ +_pdbx_validate_planes.id +_pdbx_validate_planes.PDB_model_num +_pdbx_validate_planes.auth_comp_id +_pdbx_validate_planes.auth_asym_id +_pdbx_validate_planes.auth_seq_id +_pdbx_validate_planes.PDB_ins_code +_pdbx_validate_planes.label_alt_id +_pdbx_validate_planes.rmsd +_pdbx_validate_planes.type +1 1 DG A 2 ? ? 0.082 'SIDE CHAIN' +2 1 DT A 8 ? ? 0.094 'SIDE CHAIN' +3 1 DT A 9 ? ? 0.420 'SIDE CHAIN' +4 1 DT A 2 B ? 0.073 'SIDE CHAIN' +5 1 DG A 3 B ? 0.062 'SIDE CHAIN' +6 2 DG A 2 ? ? 0.071 'SIDE CHAIN' +7 2 DT A 8 ? ? 0.086 'SIDE CHAIN' +8 2 DT A 9 ? ? 0.400 'SIDE CHAIN' +9 2 DT A 2 B ? 0.153 'SIDE CHAIN' +10 2 DG A 3 B ? 0.058 'SIDE CHAIN' +11 3 DA A 1 ? ? 0.061 'SIDE CHAIN' +12 3 DG A 2 ? ? 0.064 'SIDE CHAIN' +13 3 DT A 8 ? ? 0.080 'SIDE CHAIN' +14 3 DT A 9 ? ? 0.426 'SIDE CHAIN' +15 3 DT A 2 B ? 0.065 'SIDE CHAIN' +16 4 DG A 2 ? ? 0.076 'SIDE CHAIN' +17 4 DT A 8 ? ? 0.090 'SIDE CHAIN' +18 4 DT A 9 ? ? 0.406 'SIDE CHAIN' +19 4 DT A 2 B ? 0.076 'SIDE CHAIN' +20 4 DG A 3 B ? 0.065 'SIDE CHAIN' +21 4 DT A 6 B ? 0.081 'SIDE CHAIN' +22 5 DG A 2 ? ? 0.082 'SIDE CHAIN' +23 5 DT A 8 ? ? 0.094 'SIDE CHAIN' +24 5 DT A 9 ? ? 0.420 'SIDE CHAIN' +25 5 DT A 2 B ? 0.073 'SIDE CHAIN' +26 5 DG A 3 B ? 0.062 'SIDE CHAIN' +27 6 DG A 2 ? ? 0.071 'SIDE CHAIN' +28 6 DT A 8 ? ? 0.086 'SIDE CHAIN' +29 6 DT A 9 ? ? 0.400 'SIDE CHAIN' +30 6 DT A 2 B ? 0.153 'SIDE CHAIN' +31 6 DG A 3 B ? 0.058 'SIDE CHAIN' +# +_pdbx_nmr_ensemble.entry_id 1IDX +_pdbx_nmr_ensemble.conformers_calculated_total_number 200 +_pdbx_nmr_ensemble.conformers_submitted_total_number 6 +_pdbx_nmr_ensemble.conformer_selection_criteria +;structures with acceptable covalent geometry,structures with favorable non-bond energy,structures with the least restraint violations,structures with the lowest energy +; +_pdbx_nmr_ensemble.average_constraints_per_residue ? +_pdbx_nmr_ensemble.average_constraint_violations_per_residue ? +_pdbx_nmr_ensemble.maximum_distance_constraint_violation ? +_pdbx_nmr_ensemble.average_distance_constraint_violation ? +_pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation ? +_pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ? +_pdbx_nmr_ensemble.distance_constraint_violation_method ? +_pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation ? +_pdbx_nmr_ensemble.average_torsion_angle_constraint_violation ? +_pdbx_nmr_ensemble.torsion_angle_constraint_violation_method ? +# +_pdbx_nmr_representative.entry_id 1IDX +_pdbx_nmr_representative.conformer_id 1 +_pdbx_nmr_representative.selection_criteria 'fewest violations,lowest energy' +# +loop_ +_pdbx_nmr_sample_details.solution_id +_pdbx_nmr_sample_details.contents +_pdbx_nmr_sample_details.solvent_system +1 '2 mM oligo; no buffer; pH = 7.0; 305K; 99% D2O' '99% D2O' +2 '2 mM oligo; no buffer; pH = 7.0; 305K; 90% H2O + 10% D2O' '90% H2O/10% D2O' +# +loop_ +_pdbx_nmr_exptl_sample_conditions.conditions_id +_pdbx_nmr_exptl_sample_conditions.temperature +_pdbx_nmr_exptl_sample_conditions.pressure +_pdbx_nmr_exptl_sample_conditions.pH +_pdbx_nmr_exptl_sample_conditions.ionic_strength +_pdbx_nmr_exptl_sample_conditions.pressure_units +_pdbx_nmr_exptl_sample_conditions.temperature_units +1 305 1 7.0 ? atm K +2 295 1 7.0 ? atm K +# +loop_ +_pdbx_nmr_exptl.experiment_id +_pdbx_nmr_exptl.solution_id +_pdbx_nmr_exptl.conditions_id +_pdbx_nmr_exptl.type +1 1 1 '2D NOESY' +2 1 1 E-COSY +3 2 2 '2D NOESY' +# +_pdbx_nmr_details.entry_id 1IDX +_pdbx_nmr_details.text 'This structure was determined using 2D homonuclear techniques' +# +_pdbx_nmr_refine.entry_id 1IDX +_pdbx_nmr_refine.method 'Restrained molecular dynamics and Energy minimization' +_pdbx_nmr_refine.details +;The structures are based on a total of 196 restraints, 122 are NOE-derived distance constraints, 64 dihedral angle restraints, 10 distance restraints from hydrogen bonds. +; +_pdbx_nmr_refine.software_ordinal 1 +# +loop_ +_pdbx_nmr_software.name +_pdbx_nmr_software.version +_pdbx_nmr_software.classification +_pdbx_nmr_software.authors +_pdbx_nmr_software.ordinal +VNMR 6.1 collection varian 1 +Discover 97 'structure solution' MSI 2 +VNMR 6.1 'data analysis' varian 3 +UXNMR 3.0 collection Bruker 4 +Felix 97 processing MSI 5 +Felix 97 'data analysis' MSI 6 +Discover 97 refinement MSI 7 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +DA OP3 O N N 1 +DA P P N N 2 +DA OP1 O N N 3 +DA OP2 O N N 4 +DA "O5'" O N N 5 +DA "C5'" C N N 6 +DA "C4'" C N R 7 +DA "O4'" O N N 8 +DA "C3'" C N S 9 +DA "O3'" O N N 10 +DA "C2'" C N N 11 +DA "C1'" C N R 12 +DA N9 N Y N 13 +DA C8 C Y N 14 +DA N7 N Y N 15 +DA C5 C Y N 16 +DA C6 C Y N 17 +DA N6 N N N 18 +DA N1 N Y N 19 +DA C2 C Y N 20 +DA N3 N Y N 21 +DA C4 C Y N 22 +DA HOP3 H N N 23 +DA HOP2 H N N 24 +DA "H5'" H N N 25 +DA "H5''" H N N 26 +DA "H4'" H N N 27 +DA "H3'" H N N 28 +DA "HO3'" H N N 29 +DA "H2'" H N N 30 +DA "H2''" H N N 31 +DA "H1'" H N N 32 +DA H8 H N N 33 +DA H61 H N N 34 +DA H62 H N N 35 +DA H2 H N N 36 +DC OP3 O N N 37 +DC P P N N 38 +DC OP1 O N N 39 +DC OP2 O N N 40 +DC "O5'" O N N 41 +DC "C5'" C N N 42 +DC "C4'" C N R 43 +DC "O4'" O N N 44 +DC "C3'" C N S 45 +DC "O3'" O N N 46 +DC "C2'" C N N 47 +DC "C1'" C N R 48 +DC N1 N N N 49 +DC C2 C N N 50 +DC O2 O N N 51 +DC N3 N N N 52 +DC C4 C N N 53 +DC N4 N N N 54 +DC C5 C N N 55 +DC C6 C N N 56 +DC HOP3 H N N 57 +DC HOP2 H N N 58 +DC "H5'" H N N 59 +DC "H5''" H N N 60 +DC "H4'" H N N 61 +DC "H3'" H N N 62 +DC "HO3'" H N N 63 +DC "H2'" H N N 64 +DC "H2''" H N N 65 +DC "H1'" H N N 66 +DC H41 H N N 67 +DC H42 H N N 68 +DC H5 H N N 69 +DC H6 H N N 70 +DG OP3 O N N 71 +DG P P N N 72 +DG OP1 O N N 73 +DG OP2 O N N 74 +DG "O5'" O N N 75 +DG "C5'" C N N 76 +DG "C4'" C N R 77 +DG "O4'" O N N 78 +DG "C3'" C N S 79 +DG "O3'" O N N 80 +DG "C2'" C N N 81 +DG "C1'" C N R 82 +DG N9 N Y N 83 +DG C8 C Y N 84 +DG N7 N Y N 85 +DG C5 C Y N 86 +DG C6 C N N 87 +DG O6 O N N 88 +DG N1 N N N 89 +DG C2 C N N 90 +DG N2 N N N 91 +DG N3 N N N 92 +DG C4 C Y N 93 +DG HOP3 H N N 94 +DG HOP2 H N N 95 +DG "H5'" H N N 96 +DG "H5''" H N N 97 +DG "H4'" H N N 98 +DG "H3'" H N N 99 +DG "HO3'" H N N 100 +DG "H2'" H N N 101 +DG "H2''" H N N 102 +DG "H1'" H N N 103 +DG H8 H N N 104 +DG H1 H N N 105 +DG H21 H N N 106 +DG H22 H N N 107 +DT OP3 O N N 108 +DT P P N N 109 +DT OP1 O N N 110 +DT OP2 O N N 111 +DT "O5'" O N N 112 +DT "C5'" C N N 113 +DT "C4'" C N R 114 +DT "O4'" O N N 115 +DT "C3'" C N S 116 +DT "O3'" O N N 117 +DT "C2'" C N N 118 +DT "C1'" C N R 119 +DT N1 N N N 120 +DT C2 C N N 121 +DT O2 O N N 122 +DT N3 N N N 123 +DT C4 C N N 124 +DT O4 O N N 125 +DT C5 C N N 126 +DT C7 C N N 127 +DT C6 C N N 128 +DT HOP3 H N N 129 +DT HOP2 H N N 130 +DT "H5'" H N N 131 +DT "H5''" H N N 132 +DT "H4'" H N N 133 +DT "H3'" H N N 134 +DT "HO3'" H N N 135 +DT "H2'" H N N 136 +DT "H2''" H N N 137 +DT "H1'" H N N 138 +DT H3 H N N 139 +DT H71 H N N 140 +DT H72 H N N 141 +DT H73 H N N 142 +DT H6 H N N 143 +DU OP3 O N N 144 +DU P P N N 145 +DU OP1 O N N 146 +DU OP2 O N N 147 +DU "O5'" O N N 148 +DU "C5'" C N N 149 +DU "C4'" C N R 150 +DU "O4'" O N N 151 +DU "C3'" C N S 152 +DU "O3'" O N N 153 +DU "C2'" C N N 154 +DU "C1'" C N R 155 +DU N1 N N N 156 +DU C2 C N N 157 +DU O2 O N N 158 +DU N3 N N N 159 +DU C4 C N N 160 +DU O4 O N N 161 +DU C5 C N N 162 +DU C6 C N N 163 +DU HOP3 H N N 164 +DU HOP2 H N N 165 +DU "H5'" H N N 166 +DU "H5''" H N N 167 +DU "H4'" H N N 168 +DU "H3'" H N N 169 +DU "HO3'" H N N 170 +DU "H2'" H N N 171 +DU "H2''" H N N 172 +DU "H1'" H N N 173 +DU H3 H N N 174 +DU H5 H N N 175 +DU H6 H N N 176 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +DA OP3 P sing N N 1 +DA OP3 HOP3 sing N N 2 +DA P OP1 doub N N 3 +DA P OP2 sing N N 4 +DA P "O5'" sing N N 5 +DA OP2 HOP2 sing N N 6 +DA "O5'" "C5'" sing N N 7 +DA "C5'" "C4'" sing N N 8 +DA "C5'" "H5'" sing N N 9 +DA "C5'" "H5''" sing N N 10 +DA "C4'" "O4'" sing N N 11 +DA "C4'" "C3'" sing N N 12 +DA "C4'" "H4'" sing N N 13 +DA "O4'" "C1'" sing N N 14 +DA "C3'" "O3'" sing N N 15 +DA "C3'" "C2'" sing N N 16 +DA "C3'" "H3'" sing N N 17 +DA "O3'" "HO3'" sing N N 18 +DA "C2'" "C1'" sing N N 19 +DA "C2'" "H2'" sing N N 20 +DA "C2'" "H2''" sing N N 21 +DA "C1'" N9 sing N N 22 +DA "C1'" "H1'" sing N N 23 +DA N9 C8 sing Y N 24 +DA N9 C4 sing Y N 25 +DA C8 N7 doub Y N 26 +DA C8 H8 sing N N 27 +DA N7 C5 sing Y N 28 +DA C5 C6 sing Y N 29 +DA C5 C4 doub Y N 30 +DA C6 N6 sing N N 31 +DA C6 N1 doub Y N 32 +DA N6 H61 sing N N 33 +DA N6 H62 sing N N 34 +DA N1 C2 sing Y N 35 +DA C2 N3 doub Y N 36 +DA C2 H2 sing N N 37 +DA N3 C4 sing Y N 38 +DC OP3 P sing N N 39 +DC OP3 HOP3 sing N N 40 +DC P OP1 doub N N 41 +DC P OP2 sing N N 42 +DC P "O5'" sing N N 43 +DC OP2 HOP2 sing N N 44 +DC "O5'" "C5'" sing N N 45 +DC "C5'" "C4'" sing N N 46 +DC "C5'" "H5'" sing N N 47 +DC "C5'" "H5''" sing N N 48 +DC "C4'" "O4'" sing N N 49 +DC "C4'" "C3'" sing N N 50 +DC "C4'" "H4'" sing N N 51 +DC "O4'" "C1'" sing N N 52 +DC "C3'" "O3'" sing N N 53 +DC "C3'" "C2'" sing N N 54 +DC "C3'" "H3'" sing N N 55 +DC "O3'" "HO3'" sing N N 56 +DC "C2'" "C1'" sing N N 57 +DC "C2'" "H2'" sing N N 58 +DC "C2'" "H2''" sing N N 59 +DC "C1'" N1 sing N N 60 +DC "C1'" "H1'" sing N N 61 +DC N1 C2 sing N N 62 +DC N1 C6 sing N N 63 +DC C2 O2 doub N N 64 +DC C2 N3 sing N N 65 +DC N3 C4 doub N N 66 +DC C4 N4 sing N N 67 +DC C4 C5 sing N N 68 +DC N4 H41 sing N N 69 +DC N4 H42 sing N N 70 +DC C5 C6 doub N N 71 +DC C5 H5 sing N N 72 +DC C6 H6 sing N N 73 +DG OP3 P sing N N 74 +DG OP3 HOP3 sing N N 75 +DG P OP1 doub N N 76 +DG P OP2 sing N N 77 +DG P "O5'" sing N N 78 +DG OP2 HOP2 sing N N 79 +DG "O5'" "C5'" sing N N 80 +DG "C5'" "C4'" sing N N 81 +DG "C5'" "H5'" sing N N 82 +DG "C5'" "H5''" sing N N 83 +DG "C4'" "O4'" sing N N 84 +DG "C4'" "C3'" sing N N 85 +DG "C4'" "H4'" sing N N 86 +DG "O4'" "C1'" sing N N 87 +DG "C3'" "O3'" sing N N 88 +DG "C3'" "C2'" sing N N 89 +DG "C3'" "H3'" sing N N 90 +DG "O3'" "HO3'" sing N N 91 +DG "C2'" "C1'" sing N N 92 +DG "C2'" "H2'" sing N N 93 +DG "C2'" "H2''" sing N N 94 +DG "C1'" N9 sing N N 95 +DG "C1'" "H1'" sing N N 96 +DG N9 C8 sing Y N 97 +DG N9 C4 sing Y N 98 +DG C8 N7 doub Y N 99 +DG C8 H8 sing N N 100 +DG N7 C5 sing Y N 101 +DG C5 C6 sing N N 102 +DG C5 C4 doub Y N 103 +DG C6 O6 doub N N 104 +DG C6 N1 sing N N 105 +DG N1 C2 sing N N 106 +DG N1 H1 sing N N 107 +DG C2 N2 sing N N 108 +DG C2 N3 doub N N 109 +DG N2 H21 sing N N 110 +DG N2 H22 sing N N 111 +DG N3 C4 sing N N 112 +DT OP3 P sing N N 113 +DT OP3 HOP3 sing N N 114 +DT P OP1 doub N N 115 +DT P OP2 sing N N 116 +DT P "O5'" sing N N 117 +DT OP2 HOP2 sing N N 118 +DT "O5'" "C5'" sing N N 119 +DT "C5'" "C4'" sing N N 120 +DT "C5'" "H5'" sing N N 121 +DT "C5'" "H5''" sing N N 122 +DT "C4'" "O4'" sing N N 123 +DT "C4'" "C3'" sing N N 124 +DT "C4'" "H4'" sing N N 125 +DT "O4'" "C1'" sing N N 126 +DT "C3'" "O3'" sing N N 127 +DT "C3'" "C2'" sing N N 128 +DT "C3'" "H3'" sing N N 129 +DT "O3'" "HO3'" sing N N 130 +DT "C2'" "C1'" sing N N 131 +DT "C2'" "H2'" sing N N 132 +DT "C2'" "H2''" sing N N 133 +DT "C1'" N1 sing N N 134 +DT "C1'" "H1'" sing N N 135 +DT N1 C2 sing N N 136 +DT N1 C6 sing N N 137 +DT C2 O2 doub N N 138 +DT C2 N3 sing N N 139 +DT N3 C4 sing N N 140 +DT N3 H3 sing N N 141 +DT C4 O4 doub N N 142 +DT C4 C5 sing N N 143 +DT C5 C7 sing N N 144 +DT C5 C6 doub N N 145 +DT C7 H71 sing N N 146 +DT C7 H72 sing N N 147 +DT C7 H73 sing N N 148 +DT C6 H6 sing N N 149 +DU OP3 P sing N N 150 +DU OP3 HOP3 sing N N 151 +DU P OP1 doub N N 152 +DU P OP2 sing N N 153 +DU P "O5'" sing N N 154 +DU OP2 HOP2 sing N N 155 +DU "O5'" "C5'" sing N N 156 +DU "C5'" "C4'" sing N N 157 +DU "C5'" "H5'" sing N N 158 +DU "C5'" "H5''" sing N N 159 +DU "C4'" "O4'" sing N N 160 +DU "C4'" "C3'" sing N N 161 +DU "C4'" "H4'" sing N N 162 +DU "O4'" "C1'" sing N N 163 +DU "C3'" "O3'" sing N N 164 +DU "C3'" "C2'" sing N N 165 +DU "C3'" "H3'" sing N N 166 +DU "O3'" "HO3'" sing N N 167 +DU "C2'" "C1'" sing N N 168 +DU "C2'" "H2'" sing N N 169 +DU "C2'" "H2''" sing N N 170 +DU "C1'" N1 sing N N 171 +DU "C1'" "H1'" sing N N 172 +DU N1 C2 sing N N 173 +DU N1 C6 sing N N 174 +DU C2 O2 doub N N 175 +DU C2 N3 sing N N 176 +DU N3 C4 sing N N 177 +DU N3 H3 sing N N 178 +DU C4 O4 doub N N 179 +DU C4 C5 sing N N 180 +DU C5 C6 doub N N 181 +DU C5 H5 sing N N 182 +DU C6 H6 sing N N 183 +# +loop_ +_ndb_struct_conf_na.entry_id +_ndb_struct_conf_na.feature +1IDX 'double helix' +1IDX 'b-form double helix' +1IDX 'hairpin loop' +1IDX 'mismatched base pair' +# +loop_ +_ndb_struct_na_base_pair.model_number +_ndb_struct_na_base_pair.i_label_asym_id +_ndb_struct_na_base_pair.i_label_comp_id +_ndb_struct_na_base_pair.i_label_seq_id +_ndb_struct_na_base_pair.i_symmetry +_ndb_struct_na_base_pair.j_label_asym_id +_ndb_struct_na_base_pair.j_label_comp_id +_ndb_struct_na_base_pair.j_label_seq_id +_ndb_struct_na_base_pair.j_symmetry +_ndb_struct_na_base_pair.shear +_ndb_struct_na_base_pair.stretch +_ndb_struct_na_base_pair.stagger +_ndb_struct_na_base_pair.buckle +_ndb_struct_na_base_pair.propeller +_ndb_struct_na_base_pair.opening +_ndb_struct_na_base_pair.pair_number +_ndb_struct_na_base_pair.pair_name +_ndb_struct_na_base_pair.i_auth_asym_id +_ndb_struct_na_base_pair.i_auth_seq_id +_ndb_struct_na_base_pair.i_PDB_ins_code +_ndb_struct_na_base_pair.j_auth_asym_id +_ndb_struct_na_base_pair.j_auth_seq_id +_ndb_struct_na_base_pair.j_PDB_ins_code +_ndb_struct_na_base_pair.hbond_type_28 +_ndb_struct_na_base_pair.hbond_type_12 +1 A DA 1 1_555 A DT 18 1_555 0.024 -0.100 -0.201 -8.992 -16.415 0.917 1 A_DA1:DT9B_A A 1 ? A 9 B 20 1 +1 A DG 2 1_555 A DC 17 1_555 -0.394 -0.172 0.091 -1.732 -1.320 -0.526 2 A_DG2:DC8B_A A 2 ? A 8 B 19 1 +1 A DG 3 1_555 A DC 16 1_555 -0.471 -0.197 0.074 5.799 -6.145 -0.556 3 A_DG3:DC7B_A A 3 ? A 7 B 19 1 +1 A DA 4 1_555 A DT 15 1_555 -0.035 -0.110 -0.218 -3.990 -15.668 4.570 4 A_DA4:DT6B_A A 4 ? A 6 B 20 1 +1 A DT 5 1_555 A DA 14 1_555 0.034 -0.124 -0.249 -0.735 -11.333 -1.155 5 A_DT5:DA5B_A A 5 ? A 5 B 20 1 +1 A DC 6 1_555 A DG 13 1_555 0.419 -0.180 0.189 7.208 3.385 0.711 6 A_DC6:DG4B_A A 6 ? A 4 B 19 1 +1 A DC 7 1_555 A DG 12 1_555 0.558 -0.185 -0.808 26.964 -4.107 0.553 7 A_DC7:DG3B_A A 7 ? A 3 B 19 1 +1 A DT 8 1_555 A DT 11 1_555 -2.457 -1.989 -0.750 24.964 53.017 -3.111 8 A_DT8:DT2B_A A 8 ? A 2 B 16 1 +# +loop_ +_ndb_struct_na_base_pair_step.model_number +_ndb_struct_na_base_pair_step.i_label_asym_id_1 +_ndb_struct_na_base_pair_step.i_label_comp_id_1 +_ndb_struct_na_base_pair_step.i_label_seq_id_1 +_ndb_struct_na_base_pair_step.i_symmetry_1 +_ndb_struct_na_base_pair_step.j_label_asym_id_1 +_ndb_struct_na_base_pair_step.j_label_comp_id_1 +_ndb_struct_na_base_pair_step.j_label_seq_id_1 +_ndb_struct_na_base_pair_step.j_symmetry_1 +_ndb_struct_na_base_pair_step.i_label_asym_id_2 +_ndb_struct_na_base_pair_step.i_label_comp_id_2 +_ndb_struct_na_base_pair_step.i_label_seq_id_2 +_ndb_struct_na_base_pair_step.i_symmetry_2 +_ndb_struct_na_base_pair_step.j_label_asym_id_2 +_ndb_struct_na_base_pair_step.j_label_comp_id_2 +_ndb_struct_na_base_pair_step.j_label_seq_id_2 +_ndb_struct_na_base_pair_step.j_symmetry_2 +_ndb_struct_na_base_pair_step.shift +_ndb_struct_na_base_pair_step.slide +_ndb_struct_na_base_pair_step.rise +_ndb_struct_na_base_pair_step.tilt +_ndb_struct_na_base_pair_step.roll +_ndb_struct_na_base_pair_step.twist +_ndb_struct_na_base_pair_step.x_displacement +_ndb_struct_na_base_pair_step.y_displacement +_ndb_struct_na_base_pair_step.helical_rise +_ndb_struct_na_base_pair_step.inclination +_ndb_struct_na_base_pair_step.tip +_ndb_struct_na_base_pair_step.helical_twist +_ndb_struct_na_base_pair_step.step_number +_ndb_struct_na_base_pair_step.step_name +_ndb_struct_na_base_pair_step.i_auth_asym_id_1 +_ndb_struct_na_base_pair_step.i_auth_seq_id_1 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.j_auth_asym_id_1 +_ndb_struct_na_base_pair_step.j_auth_seq_id_1 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.i_auth_asym_id_2 +_ndb_struct_na_base_pair_step.i_auth_seq_id_2 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 +_ndb_struct_na_base_pair_step.j_auth_asym_id_2 +_ndb_struct_na_base_pair_step.j_auth_seq_id_2 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 +1 A DA 1 1_555 A DT 18 1_555 A DG 2 1_555 A DC 17 1_555 -0.004 -2.088 2.896 -1.728 5.725 29.434 -5.003 -0.286 2.451 11.123 +3.358 30.022 1 AA_DA1DG2:DC8BDT9B_AA A 1 ? A 9 B A 2 ? A 8 B +1 A DG 2 1_555 A DC 17 1_555 A DG 3 1_555 A DC 16 1_555 0.687 -1.782 2.894 0.888 7.976 30.670 -4.472 -1.124 2.385 14.765 +-1.644 31.678 2 AA_DG2DG3:DC7BDC8B_AA A 2 ? A 8 B A 3 ? A 7 B +1 A DG 3 1_555 A DC 16 1_555 A DA 4 1_555 A DT 15 1_555 0.421 -1.961 3.301 2.416 12.429 30.446 -5.374 -0.371 2.367 22.485 +-4.370 32.916 3 AA_DG3DA4:DT6BDC7B_AA A 3 ? A 7 B A 4 ? A 6 B +1 A DA 4 1_555 A DT 15 1_555 A DT 5 1_555 A DA 14 1_555 -0.613 -1.801 3.128 0.623 2.152 26.386 -4.464 1.492 2.959 4.704 +-1.363 26.479 4 AA_DA4DT5:DA5BDT6B_AA A 4 ? A 6 B A 5 ? A 5 B +1 A DT 5 1_555 A DA 14 1_555 A DC 6 1_555 A DG 13 1_555 -0.084 -2.055 3.022 -5.974 8.062 28.384 -5.354 -0.870 2.333 15.829 +11.729 30.071 5 AA_DT5DC6:DG4BDA5B_AA A 5 ? A 5 B A 6 ? A 4 B +1 A DC 6 1_555 A DG 13 1_555 A DC 7 1_555 A DG 12 1_555 -0.444 -2.087 2.685 4.074 6.587 27.220 -5.398 1.605 2.046 13.650 +-8.441 28.280 6 AA_DC6DC7:DG3BDG4B_AA A 6 ? A 4 B A 7 ? A 3 B +1 A DC 7 1_555 A DG 12 1_555 A DT 8 1_555 A DT 11 1_555 -0.638 -4.133 4.714 -21.740 -0.014 4.030 -10.770 -11.786 1.494 -0.052 +79.624 22.106 7 AA_DC7DT8:DT2BDG3B_AA A 7 ? A 3 B A 8 ? A 2 B +# +loop_ +_pdbx_nmr_spectrometer.spectrometer_id +_pdbx_nmr_spectrometer.type +_pdbx_nmr_spectrometer.manufacturer +_pdbx_nmr_spectrometer.model +_pdbx_nmr_spectrometer.field_strength +1 ? Varian UNITYPLUS 600 +2 ? Bruker AMX 500 +# +_atom_sites.entry_id 1IDX +_atom_sites.fract_transf_matrix[1][1] 1.000000 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 1.000000 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 1.000000 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +H +N +O +P +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 O "O5'" . DA A 1 1 ? 7.919 -10.818 1.488 1.00 0.00 ? 1 DA A "O5'" 1 +ATOM 2 C "C5'" . DA A 1 1 ? 8.637 -9.813 2.170 1.00 0.00 ? 1 DA A "C5'" 1 +ATOM 3 C "C4'" . DA A 1 1 ? 8.615 -8.522 1.340 1.00 0.00 ? 1 DA A "C4'" 1 +ATOM 4 O "O4'" . DA A 1 1 ? 7.261 -8.119 1.137 1.00 0.00 ? 1 DA A "O4'" 1 +ATOM 5 C "C3'" . DA A 1 1 ? 9.338 -7.361 2.051 1.00 0.00 ? 1 DA A "C3'" 1 +ATOM 6 O "O3'" . DA A 1 1 ? 10.138 -6.638 1.139 1.00 0.00 ? 1 DA A "O3'" 1 +ATOM 7 C "C2'" . DA A 1 1 ? 8.157 -6.522 2.517 1.00 0.00 ? 1 DA A "C2'" 1 +ATOM 8 C "C1'" . DA A 1 1 ? 7.198 -6.724 1.351 1.00 0.00 ? 1 DA A "C1'" 1 +ATOM 9 N N9 . DA A 1 1 ? 5.835 -6.319 1.736 1.00 0.00 ? 1 DA A N9 1 +ATOM 10 C C8 . DA A 1 1 ? 4.996 -6.913 2.644 1.00 0.00 ? 1 DA A C8 1 +ATOM 11 N N7 . DA A 1 1 ? 3.856 -6.300 2.807 1.00 0.00 ? 1 DA A N7 1 +ATOM 12 C C5 . DA A 1 1 ? 3.963 -5.202 1.944 1.00 0.00 ? 1 DA A C5 1 +ATOM 13 C C6 . DA A 1 1 ? 3.133 -4.112 1.597 1.00 0.00 ? 1 DA A C6 1 +ATOM 14 N N6 . DA A 1 1 ? 1.928 -3.912 2.094 1.00 0.00 ? 1 DA A N6 1 +ATOM 15 N N1 . DA A 1 1 ? 3.518 -3.208 0.687 1.00 0.00 ? 1 DA A N1 1 +ATOM 16 C C2 . DA A 1 1 ? 4.718 -3.351 0.134 1.00 0.00 ? 1 DA A C2 1 +ATOM 17 N N3 . DA A 1 1 ? 5.601 -4.318 0.361 1.00 0.00 ? 1 DA A N3 1 +ATOM 18 C C4 . DA A 1 1 ? 5.165 -5.212 1.288 1.00 0.00 ? 1 DA A C4 1 +ATOM 19 H "H5'" . DA A 1 1 ? 9.664 -10.146 2.321 1.00 0.00 ? 1 DA A "H5'" 1 +ATOM 20 H "H5''" . DA A 1 1 ? 8.170 -9.639 3.141 1.00 0.00 ? 1 DA A "H5''" 1 +ATOM 21 H "H4'" . DA A 1 1 ? 9.087 -8.716 0.374 1.00 0.00 ? 1 DA A "H4'" 1 +ATOM 22 H "H3'" . DA A 1 1 ? 9.927 -7.736 2.893 1.00 0.00 ? 1 DA A "H3'" 1 +ATOM 23 H "H2'" . DA A 1 1 ? 7.774 -6.944 3.446 1.00 0.00 ? 1 DA A "H2'" 1 +ATOM 24 H "H2''" . DA A 1 1 ? 8.384 -5.471 2.672 1.00 0.00 ? 1 DA A "H2''" 1 +ATOM 25 H "H1'" . DA A 1 1 ? 7.545 -6.221 0.442 1.00 0.00 ? 1 DA A "H1'" 1 +ATOM 26 H H8 . DA A 1 1 ? 5.259 -7.813 3.180 1.00 0.00 ? 1 DA A H8 1 +ATOM 27 H H61 . DA A 1 1 ? 1.427 -3.087 1.793 1.00 0.00 ? 1 DA A H61 1 +ATOM 28 H H62 . DA A 1 1 ? 1.603 -4.503 2.838 1.00 0.00 ? 1 DA A H62 1 +ATOM 29 H H2 . DA A 1 1 ? 5.003 -2.608 -0.594 1.00 0.00 ? 1 DA A H2 1 +ATOM 30 H "HO5'" . DA A 1 1 ? 7.112 -10.410 1.158 1.00 0.00 ? 1 DA A "HO5'" 1 +ATOM 31 P P . DG A 1 2 ? 11.183 -5.525 1.648 1.00 0.00 ? 2 DG A P 1 +ATOM 32 O OP1 . DG A 1 2 ? 12.273 -5.456 0.652 1.00 0.00 ? 2 DG A OP1 1 +ATOM 33 O OP2 . DG A 1 2 ? 11.498 -5.818 3.062 1.00 0.00 ? 2 DG A OP2 1 +ATOM 34 O "O5'" . DG A 1 2 ? 10.349 -4.146 1.588 1.00 0.00 ? 2 DG A "O5'" 1 +ATOM 35 C "C5'" . DG A 1 2 ? 10.115 -3.489 0.353 1.00 0.00 ? 2 DG A "C5'" 1 +ATOM 36 C "C4'" . DG A 1 2 ? 9.421 -2.126 0.521 1.00 0.00 ? 2 DG A "C4'" 1 +ATOM 37 O "O4'" . DG A 1 2 ? 8.054 -2.243 0.905 1.00 0.00 ? 2 DG A "O4'" 1 +ATOM 38 C "C3'" . DG A 1 2 ? 10.093 -1.177 1.539 1.00 0.00 ? 2 DG A "C3'" 1 +ATOM 39 O "O3'" . DG A 1 2 ? 10.330 0.070 0.908 1.00 0.00 ? 2 DG A "O3'" 1 +ATOM 40 C "C2'" . DG A 1 2 ? 9.008 -1.090 2.614 1.00 0.00 ? 2 DG A "C2'" 1 +ATOM 41 C "C1'" . DG A 1 2 ? 7.766 -1.135 1.735 1.00 0.00 ? 2 DG A "C1'" 1 +ATOM 42 N N9 . DG A 1 2 ? 6.519 -1.377 2.486 1.00 0.00 ? 2 DG A N9 1 +ATOM 43 C C8 . DG A 1 2 ? 6.195 -2.422 3.313 1.00 0.00 ? 2 DG A C8 1 +ATOM 44 N N7 . DG A 1 2 ? 4.939 -2.456 3.665 1.00 0.00 ? 2 DG A N7 1 +ATOM 45 C C5 . DG A 1 2 ? 4.399 -1.309 3.068 1.00 0.00 ? 2 DG A C5 1 +ATOM 46 C C6 . DG A 1 2 ? 3.070 -0.760 3.044 1.00 0.00 ? 2 DG A C6 1 +ATOM 47 O O6 . DG A 1 2 ? 2.036 -1.223 3.506 1.00 0.00 ? 2 DG A O6 1 +ATOM 48 N N1 . DG A 1 2 ? 2.963 0.454 2.390 1.00 0.00 ? 2 DG A N1 1 +ATOM 49 C C2 . DG A 1 2 ? 4.013 1.052 1.777 1.00 0.00 ? 2 DG A C2 1 +ATOM 50 N N2 . DG A 1 2 ? 3.785 2.186 1.179 1.00 0.00 ? 2 DG A N2 1 +ATOM 51 N N3 . DG A 1 2 ? 5.242 0.555 1.727 1.00 0.00 ? 2 DG A N3 1 +ATOM 52 C C4 . DG A 1 2 ? 5.379 -0.622 2.394 1.00 0.00 ? 2 DG A C4 1 +ATOM 53 H "H5'" . DG A 1 2 ? 9.505 -4.121 -0.296 1.00 0.00 ? 2 DG A "H5'" 1 +ATOM 54 H "H5''" . DG A 1 2 ? 11.069 -3.301 -0.144 1.00 0.00 ? 2 DG A "H5''" 1 +ATOM 55 H "H4'" . DG A 1 2 ? 9.426 -1.655 -0.464 1.00 0.00 ? 2 DG A "H4'" 1 +ATOM 56 H "H3'" . DG A 1 2 ? 11.022 -1.591 1.938 1.00 0.00 ? 2 DG A "H3'" 1 +ATOM 57 H "H2'" . DG A 1 2 ? 9.069 -1.972 3.253 1.00 0.00 ? 2 DG A "H2'" 1 +ATOM 58 H "H2''" . DG A 1 2 ? 9.061 -0.189 3.221 1.00 0.00 ? 2 DG A "H2''" 1 +ATOM 59 H "H1'" . DG A 1 2 ? 7.693 -0.226 1.133 1.00 0.00 ? 2 DG A "H1'" 1 +ATOM 60 H H8 . DG A 1 2 ? 6.906 -3.167 3.634 1.00 0.00 ? 2 DG A H8 1 +ATOM 61 H H1 . DG A 1 2 ? 2.039 0.869 2.341 1.00 0.00 ? 2 DG A H1 1 +ATOM 62 H H21 . DG A 1 2 ? 2.873 2.615 1.203 1.00 0.00 ? 2 DG A H21 1 +ATOM 63 H H22 . DG A 1 2 ? 4.590 2.612 0.760 1.00 0.00 ? 2 DG A H22 1 +ATOM 64 P P . DG A 1 3 ? 10.899 1.343 1.704 1.00 0.00 ? 3 DG A P 1 +ATOM 65 O OP1 . DG A 1 3 ? 11.703 2.156 0.767 1.00 0.00 ? 3 DG A OP1 1 +ATOM 66 O OP2 . DG A 1 3 ? 11.494 0.875 2.974 1.00 0.00 ? 3 DG A OP2 1 +ATOM 67 O "O5'" . DG A 1 3 ? 9.549 2.154 2.040 1.00 0.00 ? 3 DG A "O5'" 1 +ATOM 68 C "C5'" . DG A 1 3 ? 9.440 2.966 3.196 1.00 0.00 ? 3 DG A "C5'" 1 +ATOM 69 C "C4'" . DG A 1 3 ? 8.142 3.794 3.170 1.00 0.00 ? 3 DG A "C4'" 1 +ATOM 70 O "O4'" . DG A 1 3 ? 6.988 2.957 3.242 1.00 0.00 ? 3 DG A "O4'" 1 +ATOM 71 C "C3'" . DG A 1 3 ? 8.066 4.759 4.372 1.00 0.00 ? 3 DG A "C3'" 1 +ATOM 72 O "O3'" . DG A 1 3 ? 7.611 6.033 3.955 1.00 0.00 ? 3 DG A "O3'" 1 +ATOM 73 C "C2'" . DG A 1 3 ? 7.026 4.067 5.246 1.00 0.00 ? 3 DG A "C2'" 1 +ATOM 74 C "C1'" . DG A 1 3 ? 6.091 3.524 4.173 1.00 0.00 ? 3 DG A "C1'" 1 +ATOM 75 N N9 . DG A 1 3 ? 5.199 2.485 4.718 1.00 0.00 ? 3 DG A N9 1 +ATOM 76 C C8 . DG A 1 3 ? 5.542 1.287 5.285 1.00 0.00 ? 3 DG A C8 1 +ATOM 77 N N7 . DG A 1 3 ? 4.531 0.591 5.724 1.00 0.00 ? 3 DG A N7 1 +ATOM 78 C C5 . DG A 1 3 ? 3.426 1.398 5.432 1.00 0.00 ? 3 DG A C5 1 +ATOM 79 C C6 . DG A 1 3 ? 2.021 1.239 5.686 1.00 0.00 ? 3 DG A C6 1 +ATOM 80 O O6 . DG A 1 3 ? 1.438 0.310 6.229 1.00 0.00 ? 3 DG A O6 1 +ATOM 81 N N1 . DG A 1 3 ? 1.242 2.302 5.271 1.00 0.00 ? 3 DG A N1 1 +ATOM 82 C C2 . DG A 1 3 ? 1.751 3.379 4.627 1.00 0.00 ? 3 DG A C2 1 +ATOM 83 N N2 . DG A 1 3 ? 0.920 4.336 4.326 1.00 0.00 ? 3 DG A N2 1 +ATOM 84 N N3 . DG A 1 3 ? 3.040 3.571 4.376 1.00 0.00 ? 3 DG A N3 1 +ATOM 85 C C4 . DG A 1 3 ? 3.832 2.552 4.805 1.00 0.00 ? 3 DG A C4 1 +ATOM 86 H "H5'" . DG A 1 3 ? 10.285 3.658 3.229 1.00 0.00 ? 3 DG A "H5'" 1 +ATOM 87 H "H5''" . DG A 1 3 ? 9.459 2.344 4.094 1.00 0.00 ? 3 DG A "H5''" 1 +ATOM 88 H "H4'" . DG A 1 3 ? 8.117 4.362 2.238 1.00 0.00 ? 3 DG A "H4'" 1 +ATOM 89 H "H3'" . DG A 1 3 ? 9.032 4.826 4.878 1.00 0.00 ? 3 DG A "H3'" 1 +ATOM 90 H "H2'" . DG A 1 3 ? 7.506 3.259 5.798 1.00 0.00 ? 3 DG A "H2'" 1 +ATOM 91 H "H2''" . DG A 1 3 ? 6.514 4.732 5.939 1.00 0.00 ? 3 DG A "H2''" 1 +ATOM 92 H "H1'" . DG A 1 3 ? 5.529 4.335 3.702 1.00 0.00 ? 3 DG A "H1'" 1 +ATOM 93 H H8 . DG A 1 3 ? 6.566 0.956 5.375 1.00 0.00 ? 3 DG A H8 1 +ATOM 94 H H1 . DG A 1 3 ? 0.245 2.227 5.441 1.00 0.00 ? 3 DG A H1 1 +ATOM 95 H H21 . DG A 1 3 ? -0.047 4.284 4.605 1.00 0.00 ? 3 DG A H21 1 +ATOM 96 H H22 . DG A 1 3 ? 1.343 5.154 3.927 1.00 0.00 ? 3 DG A H22 1 +ATOM 97 P P . DA A 1 4 ? 7.672 7.310 4.932 1.00 0.00 ? 4 DA A P 1 +ATOM 98 O OP1 . DA A 1 4 ? 7.687 8.522 4.087 1.00 0.00 ? 4 DA A OP1 1 +ATOM 99 O OP2 . DA A 1 4 ? 8.758 7.081 5.909 1.00 0.00 ? 4 DA A OP2 1 +ATOM 100 O "O5'" . DA A 1 4 ? 6.266 7.258 5.717 1.00 0.00 ? 4 DA A "O5'" 1 +ATOM 101 C "C5'" . DA A 1 4 ? 5.093 7.840 5.171 1.00 0.00 ? 4 DA A "C5'" 1 +ATOM 102 C "C4'" . DA A 1 4 ? 3.863 7.607 6.065 1.00 0.00 ? 4 DA A "C4'" 1 +ATOM 103 O "O4'" . DA A 1 4 ? 3.514 6.232 6.135 1.00 0.00 ? 4 DA A "O4'" 1 +ATOM 104 C "C3'" . DA A 1 4 ? 4.037 8.070 7.524 1.00 0.00 ? 4 DA A "C3'" 1 +ATOM 105 O "O3'" . DA A 1 4 ? 3.473 9.357 7.700 1.00 0.00 ? 4 DA A "O3'" 1 +ATOM 106 C "C2'" . DA A 1 4 ? 3.248 7.012 8.303 1.00 0.00 ? 4 DA A "C2'" 1 +ATOM 107 C "C1'" . DA A 1 4 ? 2.639 6.118 7.230 1.00 0.00 ? 4 DA A "C1'" 1 +ATOM 108 N N9 . DA A 1 4 ? 2.548 4.726 7.705 1.00 0.00 ? 4 DA A N9 1 +ATOM 109 C C8 . DA A 1 4 ? 3.555 3.824 7.944 1.00 0.00 ? 4 DA A C8 1 +ATOM 110 N N7 . DA A 1 4 ? 3.137 2.670 8.392 1.00 0.00 ? 4 DA A N7 1 +ATOM 111 C C5 . DA A 1 4 ? 1.750 2.839 8.477 1.00 0.00 ? 4 DA A C5 1 +ATOM 112 C C6 . DA A 1 4 ? 0.656 2.035 8.873 1.00 0.00 ? 4 DA A C6 1 +ATOM 113 N N6 . DA A 1 4 ? 0.739 0.774 9.247 1.00 0.00 ? 4 DA A N6 1 +ATOM 114 N N1 . DA A 1 4 ? -0.587 2.527 8.905 1.00 0.00 ? 4 DA A N1 1 +ATOM 115 C C2 . DA A 1 4 ? -0.774 3.782 8.516 1.00 0.00 ? 4 DA A C2 1 +ATOM 116 N N3 . DA A 1 4 ? 0.143 4.638 8.087 1.00 0.00 ? 4 DA A N3 1 +ATOM 117 C C4 . DA A 1 4 ? 1.393 4.102 8.090 1.00 0.00 ? 4 DA A C4 1 +ATOM 118 H "H5'" . DA A 1 4 ? 4.889 7.418 4.184 1.00 0.00 ? 4 DA A "H5'" 1 +ATOM 119 H "H5''" . DA A 1 4 ? 5.237 8.918 5.069 1.00 0.00 ? 4 DA A "H5''" 1 +ATOM 120 H "H4'" . DA A 1 4 ? 3.018 8.138 5.618 1.00 0.00 ? 4 DA A "H4'" 1 +ATOM 121 H "H3'" . DA A 1 4 ? 5.092 8.048 7.810 1.00 0.00 ? 4 DA A "H3'" 1 +ATOM 122 H "H2'" . DA A 1 4 ? 3.950 6.467 8.934 1.00 0.00 ? 4 DA A "H2'" 1 +ATOM 123 H "H2''" . DA A 1 4 ? 2.450 7.405 8.917 1.00 0.00 ? 4 DA A "H2''" 1 +ATOM 124 H "H1'" . DA A 1 4 ? 1.658 6.520 6.935 1.00 0.00 ? 4 DA A "H1'" 1 +ATOM 125 H H8 . DA A 1 4 ? 4.605 4.045 7.794 1.00 0.00 ? 4 DA A H8 1 +ATOM 126 H H61 . DA A 1 4 ? -0.127 0.293 9.447 1.00 0.00 ? 4 DA A H61 1 +ATOM 127 H H62 . DA A 1 4 ? 1.627 0.306 9.180 1.00 0.00 ? 4 DA A H62 1 +ATOM 128 H H2 . DA A 1 4 ? -1.787 4.150 8.539 1.00 0.00 ? 4 DA A H2 1 +ATOM 129 P P . DT A 1 5 ? 3.584 10.151 9.099 1.00 0.00 ? 5 DT A P 1 +ATOM 130 O OP1 . DT A 1 5 ? 3.355 11.585 8.821 1.00 0.00 ? 5 DT A OP1 1 +ATOM 131 O OP2 . DT A 1 5 ? 4.825 9.721 9.775 1.00 0.00 ? 5 DT A OP2 1 +ATOM 132 O "O5'" . DT A 1 5 ? 2.333 9.607 9.957 1.00 0.00 ? 5 DT A "O5'" 1 +ATOM 133 C "C5'" . DT A 1 5 ? 1.001 9.996 9.656 1.00 0.00 ? 5 DT A "C5'" 1 +ATOM 134 C "C4'" . DT A 1 5 ? -0.029 9.235 10.511 1.00 0.00 ? 5 DT A "C4'" 1 +ATOM 135 O "O4'" . DT A 1 5 ? 0.015 7.836 10.263 1.00 0.00 ? 5 DT A "O4'" 1 +ATOM 136 C "C3'" . DT A 1 5 ? 0.158 9.402 12.029 1.00 0.00 ? 5 DT A "C3'" 1 +ATOM 137 O "O3'" . DT A 1 5 ? -0.689 10.420 12.527 1.00 0.00 ? 5 DT A "O3'" 1 +ATOM 138 C "C2'" . DT A 1 5 ? -0.240 8.024 12.571 1.00 0.00 ? 5 DT A "C2'" 1 +ATOM 139 C "C1'" . DT A 1 5 ? -0.643 7.213 11.342 1.00 0.00 ? 5 DT A "C1'" 1 +ATOM 140 N N1 . DT A 1 5 ? -0.185 5.807 11.493 1.00 0.00 ? 5 DT A N1 1 +ATOM 141 C C2 . DT A 1 5 ? -1.149 4.859 11.827 1.00 0.00 ? 5 DT A C2 1 +ATOM 142 O O2 . DT A 1 5 ? -2.333 5.110 11.992 1.00 0.00 ? 5 DT A O2 1 +ATOM 143 N N3 . DT A 1 5 ? -0.715 3.577 12.026 1.00 0.00 ? 5 DT A N3 1 +ATOM 144 C C4 . DT A 1 5 ? 0.595 3.172 12.033 1.00 0.00 ? 5 DT A C4 1 +ATOM 145 O O4 . DT A 1 5 ? 0.843 2.021 12.371 1.00 0.00 ? 5 DT A O4 1 +ATOM 146 C C5 . DT A 1 5 ? 1.576 4.202 11.692 1.00 0.00 ? 5 DT A C5 1 +ATOM 147 C C7 . DT A 1 5 ? 3.073 3.888 11.656 1.00 0.00 ? 5 DT A C7 1 +ATOM 148 C C6 . DT A 1 5 ? 1.161 5.473 11.448 1.00 0.00 ? 5 DT A C6 1 +ATOM 149 H "H5'" . DT A 1 5 ? 0.782 9.799 8.605 1.00 0.00 ? 5 DT A "H5'" 1 +ATOM 150 H "H5''" . DT A 1 5 ? 0.883 11.065 9.843 1.00 0.00 ? 5 DT A "H5''" 1 +ATOM 151 H "H4'" . DT A 1 5 ? -1.026 9.587 10.236 1.00 0.00 ? 5 DT A "H4'" 1 +ATOM 152 H "H3'" . DT A 1 5 ? 1.207 9.612 12.255 1.00 0.00 ? 5 DT A "H3'" 1 +ATOM 153 H "H2'" . DT A 1 5 ? 0.625 7.603 13.085 1.00 0.00 ? 5 DT A "H2'" 1 +ATOM 154 H "H2''" . DT A 1 5 ? -1.080 8.045 13.256 1.00 0.00 ? 5 DT A "H2''" 1 +ATOM 155 H "H1'" . DT A 1 5 ? -1.730 7.325 11.176 1.00 0.00 ? 5 DT A "H1'" 1 +ATOM 156 H H3 . DT A 1 5 ? -1.428 2.915 12.309 1.00 0.00 ? 5 DT A H3 1 +ATOM 157 H H71 . DT A 1 5 ? 3.243 2.819 11.513 1.00 0.00 ? 5 DT A H71 1 +ATOM 158 H H72 . DT A 1 5 ? 3.568 4.411 10.835 1.00 0.00 ? 5 DT A H72 1 +ATOM 159 H H73 . DT A 1 5 ? 3.537 4.193 12.595 1.00 0.00 ? 5 DT A H73 1 +ATOM 160 H H6 . DT A 1 5 ? 1.921 6.230 11.268 1.00 0.00 ? 5 DT A H6 1 +ATOM 161 P P . DC A 1 6 ? -0.655 10.870 14.074 1.00 0.00 ? 6 DC A P 1 +ATOM 162 O OP1 . DC A 1 6 ? -1.176 12.251 14.161 1.00 0.00 ? 6 DC A OP1 1 +ATOM 163 O OP2 . DC A 1 6 ? 0.681 10.549 14.620 1.00 0.00 ? 6 DC A OP2 1 +ATOM 164 O "O5'" . DC A 1 6 ? -1.734 9.892 14.765 1.00 0.00 ? 6 DC A "O5'" 1 +ATOM 165 C "C5'" . DC A 1 6 ? -1.416 9.109 15.906 1.00 0.00 ? 6 DC A "C5'" 1 +ATOM 166 C "C4'" . DC A 1 6 ? -2.637 8.269 16.320 1.00 0.00 ? 6 DC A "C4'" 1 +ATOM 167 O "O4'" . DC A 1 6 ? -2.935 7.257 15.354 1.00 0.00 ? 6 DC A "O4'" 1 +ATOM 168 C "C3'" . DC A 1 6 ? -2.442 7.552 17.662 1.00 0.00 ? 6 DC A "C3'" 1 +ATOM 169 O "O3'" . DC A 1 6 ? -2.878 8.330 18.757 1.00 0.00 ? 6 DC A "O3'" 1 +ATOM 170 C "C2'" . DC A 1 6 ? -3.379 6.368 17.474 1.00 0.00 ? 6 DC A "C2'" 1 +ATOM 171 C "C1'" . DC A 1 6 ? -3.267 6.036 15.992 1.00 0.00 ? 6 DC A "C1'" 1 +ATOM 172 N N1 . DC A 1 6 ? -2.254 4.970 15.767 1.00 0.00 ? 6 DC A N1 1 +ATOM 173 C C2 . DC A 1 6 ? -2.628 3.665 16.086 1.00 0.00 ? 6 DC A C2 1 +ATOM 174 O O2 . DC A 1 6 ? -3.741 3.420 16.531 1.00 0.00 ? 6 DC A O2 1 +ATOM 175 N N3 . DC A 1 6 ? -1.774 2.629 15.895 1.00 0.00 ? 6 DC A N3 1 +ATOM 176 C C4 . DC A 1 6 ? -0.579 2.890 15.399 1.00 0.00 ? 6 DC A C4 1 +ATOM 177 N N4 . DC A 1 6 ? 0.166 1.849 15.161 1.00 0.00 ? 6 DC A N4 1 +ATOM 178 C C5 . DC A 1 6 ? -0.123 4.202 15.080 1.00 0.00 ? 6 DC A C5 1 +ATOM 179 C C6 . DC A 1 6 ? -0.994 5.219 15.280 1.00 0.00 ? 6 DC A C6 1 +ATOM 180 H "H5'" . DC A 1 6 ? -1.157 9.773 16.733 1.00 0.00 ? 6 DC A "H5'" 1 +ATOM 181 H "H5''" . DC A 1 6 ? -0.567 8.453 15.706 1.00 0.00 ? 6 DC A "H5''" 1 +ATOM 182 H "H4'" . DC A 1 6 ? -3.509 8.922 16.398 1.00 0.00 ? 6 DC A "H4'" 1 +ATOM 183 H "H3'" . DC A 1 6 ? -1.405 7.214 17.743 1.00 0.00 ? 6 DC A "H3'" 1 +ATOM 184 H "H2'" . DC A 1 6 ? -3.147 5.539 18.136 1.00 0.00 ? 6 DC A "H2'" 1 +ATOM 185 H "H2''" . DC A 1 6 ? -4.403 6.692 17.662 1.00 0.00 ? 6 DC A "H2''" 1 +ATOM 186 H "H1'" . DC A 1 6 ? -4.235 5.715 15.601 1.00 0.00 ? 6 DC A "H1'" 1 +ATOM 187 H H41 . DC A 1 6 ? -0.282 0.977 15.402 1.00 0.00 ? 6 DC A H41 1 +ATOM 188 H H42 . DC A 1 6 ? 0.919 1.918 14.498 1.00 0.00 ? 6 DC A H42 1 +ATOM 189 H H5 . DC A 1 6 ? 0.870 4.401 14.712 1.00 0.00 ? 6 DC A H5 1 +ATOM 190 H H6 . DC A 1 6 ? -0.688 6.230 15.045 1.00 0.00 ? 6 DC A H6 1 +ATOM 191 P P . DC A 1 7 ? -2.440 7.975 20.264 1.00 0.00 ? 7 DC A P 1 +ATOM 192 O OP1 . DC A 1 7 ? -2.888 9.076 21.141 1.00 0.00 ? 7 DC A OP1 1 +ATOM 193 O OP2 . DC A 1 7 ? -1.015 7.584 20.234 1.00 0.00 ? 7 DC A OP2 1 +ATOM 194 O "O5'" . DC A 1 7 ? -3.288 6.663 20.641 1.00 0.00 ? 7 DC A "O5'" 1 +ATOM 195 C "C5'" . DC A 1 7 ? -4.700 6.691 20.758 1.00 0.00 ? 7 DC A "C5'" 1 +ATOM 196 C "C4'" . DC A 1 7 ? -5.260 5.287 21.055 1.00 0.00 ? 7 DC A "C4'" 1 +ATOM 197 O "O4'" . DC A 1 7 ? -4.758 4.341 20.113 1.00 0.00 ? 7 DC A "O4'" 1 +ATOM 198 C "C3'" . DC A 1 7 ? -4.915 4.773 22.466 1.00 0.00 ? 7 DC A "C3'" 1 +ATOM 199 O "O3'" . DC A 1 7 ? -5.999 4.012 22.969 1.00 0.00 ? 7 DC A "O3'" 1 +ATOM 200 C "C2'" . DC A 1 7 ? -3.739 3.856 22.170 1.00 0.00 ? 7 DC A "C2'" 1 +ATOM 201 C "C1'" . DC A 1 7 ? -4.170 3.272 20.827 1.00 0.00 ? 7 DC A "C1'" 1 +ATOM 202 N N1 . DC A 1 7 ? -3.005 2.736 20.079 1.00 0.00 ? 7 DC A N1 1 +ATOM 203 C C2 . DC A 1 7 ? -2.940 1.366 19.845 1.00 0.00 ? 7 DC A C2 1 +ATOM 204 O O2 . DC A 1 7 ? -3.838 0.612 20.192 1.00 0.00 ? 7 DC A O2 1 +ATOM 205 N N3 . DC A 1 7 ? -1.857 0.820 19.237 1.00 0.00 ? 7 DC A N3 1 +ATOM 206 C C4 . DC A 1 7 ? -0.897 1.623 18.815 1.00 0.00 ? 7 DC A C4 1 +ATOM 207 N N4 . DC A 1 7 ? 0.129 1.033 18.273 1.00 0.00 ? 7 DC A N4 1 +ATOM 208 C C5 . DC A 1 7 ? -0.902 3.031 19.026 1.00 0.00 ? 7 DC A C5 1 +ATOM 209 C C6 . DC A 1 7 ? -1.975 3.549 19.670 1.00 0.00 ? 7 DC A C6 1 +ATOM 210 H "H5'" . DC A 1 7 ? -5.142 7.043 19.825 1.00 0.00 ? 7 DC A "H5'" 1 +ATOM 211 H "H5''" . DC A 1 7 ? -5.002 7.373 21.555 1.00 0.00 ? 7 DC A "H5''" 1 +ATOM 212 H "H4'" . DC A 1 7 ? -6.346 5.344 20.954 1.00 0.00 ? 7 DC A "H4'" 1 +ATOM 213 H "H3'" . DC A 1 7 ? -4.637 5.602 23.122 1.00 0.00 ? 7 DC A "H3'" 1 +ATOM 214 H "H2'" . DC A 1 7 ? -2.835 4.460 22.088 1.00 0.00 ? 7 DC A "H2'" 1 +ATOM 215 H "H2''" . DC A 1 7 ? -3.608 3.083 22.925 1.00 0.00 ? 7 DC A "H2''" 1 +ATOM 216 H "H1'" . DC A 1 7 ? -4.959 2.538 21.003 1.00 0.00 ? 7 DC A "H1'" 1 +ATOM 217 H H41 . DC A 1 7 ? 0.066 0.025 18.243 1.00 0.00 ? 7 DC A H41 1 +ATOM 218 H H42 . DC A 1 7 ? 0.888 1.560 17.887 1.00 0.00 ? 7 DC A H42 1 +ATOM 219 H H5 . DC A 1 7 ? -0.094 3.674 18.714 1.00 0.00 ? 7 DC A H5 1 +ATOM 220 H H6 . DC A 1 7 ? -2.007 4.611 19.878 1.00 0.00 ? 7 DC A H6 1 +ATOM 221 P P . DT A 1 8 ? -6.239 3.783 24.545 1.00 0.00 ? 8 DT A P 1 +ATOM 222 O OP1 . DT A 1 8 ? -7.652 3.385 24.716 1.00 0.00 ? 8 DT A OP1 1 +ATOM 223 O OP2 . DT A 1 8 ? -5.734 4.979 25.253 1.00 0.00 ? 8 DT A OP2 1 +ATOM 224 O "O5'" . DT A 1 8 ? -5.325 2.515 24.962 1.00 0.00 ? 8 DT A "O5'" 1 +ATOM 225 C "C5'" . DT A 1 8 ? -4.190 2.645 25.809 1.00 0.00 ? 8 DT A "C5'" 1 +ATOM 226 C "C4'" . DT A 1 8 ? -3.762 1.282 26.387 1.00 0.00 ? 8 DT A "C4'" 1 +ATOM 227 O "O4'" . DT A 1 8 ? -3.267 0.377 25.395 1.00 0.00 ? 8 DT A "O4'" 1 +ATOM 228 C "C3'" . DT A 1 8 ? -2.651 1.421 27.452 1.00 0.00 ? 8 DT A "C3'" 1 +ATOM 229 O "O3'" . DT A 1 8 ? -2.979 0.852 28.708 1.00 0.00 ? 8 DT A "O3'" 1 +ATOM 230 C "C2'" . DT A 1 8 ? -1.514 0.643 26.801 1.00 0.00 ? 8 DT A "C2'" 1 +ATOM 231 C "C1'" . DT A 1 8 ? -2.273 -0.419 26.009 1.00 0.00 ? 8 DT A "C1'" 1 +ATOM 232 N N1 . DT A 1 8 ? -1.411 -1.102 24.978 1.00 0.00 ? 8 DT A N1 1 +ATOM 233 C C2 . DT A 1 8 ? -1.081 -2.432 25.260 1.00 0.00 ? 8 DT A C2 1 +ATOM 234 O O2 . DT A 1 8 ? -1.569 -3.088 26.165 1.00 0.00 ? 8 DT A O2 1 +ATOM 235 N N3 . DT A 1 8 ? -0.133 -3.039 24.480 1.00 0.00 ? 8 DT A N3 1 +ATOM 236 C C4 . DT A 1 8 ? 0.494 -2.465 23.410 1.00 0.00 ? 8 DT A C4 1 +ATOM 237 O O4 . DT A 1 8 ? 1.388 -3.105 22.875 1.00 0.00 ? 8 DT A O4 1 +ATOM 238 C C5 . DT A 1 8 ? 0.044 -1.117 23.064 1.00 0.00 ? 8 DT A C5 1 +ATOM 239 C C7 . DT A 1 8 ? 0.678 -0.344 21.905 1.00 0.00 ? 8 DT A C7 1 +ATOM 240 C C6 . DT A 1 8 ? -0.883 -0.482 23.834 1.00 0.00 ? 8 DT A C6 1 +ATOM 241 H "H5'" . DT A 1 8 ? -4.442 3.280 26.662 1.00 0.00 ? 8 DT A "H5'" 1 +ATOM 242 H "H5''" . DT A 1 8 ? -3.359 3.102 25.269 1.00 0.00 ? 8 DT A "H5''" 1 +ATOM 243 H "H4'" . DT A 1 8 ? -4.636 0.828 26.859 1.00 0.00 ? 8 DT A "H4'" 1 +ATOM 244 H "H3'" . DT A 1 8 ? -2.367 2.473 27.553 1.00 0.00 ? 8 DT A "H3'" 1 +ATOM 245 H "H2'" . DT A 1 8 ? -0.912 1.333 26.214 1.00 0.00 ? 8 DT A "H2'" 1 +ATOM 246 H "H2''" . DT A 1 8 ? -0.893 0.165 27.544 1.00 0.00 ? 8 DT A "H2''" 1 +ATOM 247 H "H1'" . DT A 1 8 ? -2.750 -1.103 26.753 1.00 0.00 ? 8 DT A "H1'" 1 +ATOM 248 H H3 . DT A 1 8 ? 0.118 -3.991 24.709 1.00 0.00 ? 8 DT A H3 1 +ATOM 249 H H71 . DT A 1 8 ? -0.091 0.025 21.227 1.00 0.00 ? 8 DT A H71 1 +ATOM 250 H H72 . DT A 1 8 ? 1.241 0.508 22.291 1.00 0.00 ? 8 DT A H72 1 +ATOM 251 H H73 . DT A 1 8 ? 1.366 -0.972 21.334 1.00 0.00 ? 8 DT A H73 1 +ATOM 252 H H6 . DT A 1 8 ? -1.159 0.502 23.439 1.00 0.00 ? 8 DT A H6 1 +ATOM 253 P P . DT A 1 9 ? -2.347 1.466 30.062 1.00 0.00 ? 9 DT A P 1 +ATOM 254 O OP1 . DT A 1 9 ? -3.056 2.739 30.307 1.00 0.00 ? 9 DT A OP1 1 +ATOM 255 O OP2 . DT A 1 9 ? -0.869 1.499 29.901 1.00 0.00 ? 9 DT A OP2 1 +ATOM 256 O "O5'" . DT A 1 9 ? -2.770 0.448 31.264 1.00 0.00 ? 9 DT A "O5'" 1 +ATOM 257 C "C5'" . DT A 1 9 ? -1.900 -0.535 31.825 1.00 0.00 ? 9 DT A "C5'" 1 +ATOM 258 C "C4'" . DT A 1 9 ? -1.769 -1.822 30.984 1.00 0.00 ? 9 DT A "C4'" 1 +ATOM 259 O "O4'" . DT A 1 9 ? -1.351 -1.451 29.686 1.00 0.00 ? 9 DT A "O4'" 1 +ATOM 260 C "C3'" . DT A 1 9 ? -0.717 -2.809 31.525 1.00 0.00 ? 9 DT A "C3'" 1 +ATOM 261 O "O3'" . DT A 1 9 ? -1.244 -3.896 32.266 1.00 0.00 ? 9 DT A "O3'" 1 +ATOM 262 C "C2'" . DT A 1 9 ? -0.087 -3.342 30.243 1.00 0.00 ? 9 DT A "C2'" 1 +ATOM 263 C "C1'" . DT A 1 9 ? -0.474 -2.395 29.125 1.00 0.00 ? 9 DT A "C1'" 1 +ATOM 264 N N1 . DT A 1 9 ? 0.759 -1.632 28.630 1.00 0.00 ? 9 DT A N1 1 +ATOM 265 C C2 . DT A 1 9 ? 1.099 -0.567 29.469 1.00 0.00 ? 9 DT A C2 1 +ATOM 266 O O2 . DT A 1 9 ? 1.202 -0.652 30.683 1.00 0.00 ? 9 DT A O2 1 +ATOM 267 N N3 . DT A 1 9 ? 1.379 0.616 28.855 1.00 0.00 ? 9 DT A N3 1 +ATOM 268 C C4 . DT A 1 9 ? 1.711 0.719 27.529 1.00 0.00 ? 9 DT A C4 1 +ATOM 269 O O4 . DT A 1 9 ? 1.762 1.826 27.009 1.00 0.00 ? 9 DT A O4 1 +ATOM 270 C C5 . DT A 1 9 ? 1.986 -0.571 26.881 1.00 0.00 ? 9 DT A C5 1 +ATOM 271 C C7 . DT A 1 9 ? 2.858 -0.644 25.625 1.00 0.00 ? 9 DT A C7 1 +ATOM 272 C C6 . DT A 1 9 ? 1.479 -1.721 27.421 1.00 0.00 ? 9 DT A C6 1 +ATOM 273 H "H5'" . DT A 1 9 ? -2.322 -0.826 32.788 1.00 0.00 ? 9 DT A "H5'" 1 +ATOM 274 H "H5''" . DT A 1 9 ? -0.921 -0.095 32.021 1.00 0.00 ? 9 DT A "H5''" 1 +ATOM 275 H "H4'" . DT A 1 9 ? -2.736 -2.322 30.905 1.00 0.00 ? 9 DT A "H4'" 1 +ATOM 276 H "H3'" . DT A 1 9 ? 0.023 -2.260 32.112 1.00 0.00 ? 9 DT A "H3'" 1 +ATOM 277 H "H2'" . DT A 1 9 ? 0.987 -3.393 30.369 1.00 0.00 ? 9 DT A "H2'" 1 +ATOM 278 H "H2''" . DT A 1 9 ? -0.476 -4.322 29.977 1.00 0.00 ? 9 DT A "H2''" 1 +ATOM 279 H "H1'" . DT A 1 9 ? -1.298 -2.860 28.538 1.00 0.00 ? 9 DT A "H1'" 1 +ATOM 280 H H3 . DT A 1 9 ? 0.740 1.312 29.256 1.00 0.00 ? 9 DT A H3 1 +ATOM 281 H H71 . DT A 1 9 ? 3.861 -0.980 25.895 1.00 0.00 ? 9 DT A H71 1 +ATOM 282 H H72 . DT A 1 9 ? 2.452 -1.336 24.890 1.00 0.00 ? 9 DT A H72 1 +ATOM 283 H H73 . DT A 1 9 ? 2.940 0.336 25.149 1.00 0.00 ? 9 DT A H73 1 +ATOM 284 H H6 . DT A 1 9 ? 1.932 -2.617 26.960 1.00 0.00 ? 9 DT A H6 1 +ATOM 285 P P . DU A 1 10 B -0.286 -4.835 33.171 1.00 0.00 ? 1 DU A P 1 +ATOM 286 O OP1 . DU A 1 10 B -1.090 -5.977 33.654 1.00 0.00 ? 1 DU A OP1 1 +ATOM 287 O OP2 . DU A 1 10 B 0.412 -3.964 34.139 1.00 0.00 ? 1 DU A OP2 1 +ATOM 288 O "O5'" . DU A 1 10 B 0.828 -5.430 32.164 1.00 0.00 ? 1 DU A "O5'" 1 +ATOM 289 C "C5'" . DU A 1 10 B 0.554 -6.528 31.307 1.00 0.00 ? 1 DU A "C5'" 1 +ATOM 290 C "C4'" . DU A 1 10 B 1.624 -6.669 30.198 1.00 0.00 ? 1 DU A "C4'" 1 +ATOM 291 O "O4'" . DU A 1 10 B 1.879 -5.415 29.555 1.00 0.00 ? 1 DU A "O4'" 1 +ATOM 292 C "C3'" . DU A 1 10 B 2.980 -7.264 30.618 1.00 0.00 ? 1 DU A "C3'" 1 +ATOM 293 O "O3'" . DU A 1 10 B 3.052 -8.567 30.024 1.00 0.00 ? 1 DU A "O3'" 1 +ATOM 294 C "C2'" . DU A 1 10 B 4.023 -6.285 30.051 1.00 0.00 ? 1 DU A "C2'" 1 +ATOM 295 C "C1'" . DU A 1 10 B 3.262 -5.176 29.342 1.00 0.00 ? 1 DU A "C1'" 1 +ATOM 296 N N1 . DU A 1 10 B 3.640 -3.844 29.811 1.00 0.00 ? 1 DU A N1 1 +ATOM 297 C C2 . DU A 1 10 B 4.151 -2.892 29.006 1.00 0.00 ? 1 DU A C2 1 +ATOM 298 O O2 . DU A 1 10 B 4.366 -3.067 27.813 1.00 0.00 ? 1 DU A O2 1 +ATOM 299 N N3 . DU A 1 10 B 4.451 -1.647 29.500 1.00 0.00 ? 1 DU A N3 1 +ATOM 300 C C4 . DU A 1 10 B 4.293 -1.255 30.806 1.00 0.00 ? 1 DU A C4 1 +ATOM 301 O O4 . DU A 1 10 B 4.655 -0.131 31.121 1.00 0.00 ? 1 DU A O4 1 +ATOM 302 C C5 . DU A 1 10 B 3.749 -2.267 31.692 1.00 0.00 ? 1 DU A C5 1 +ATOM 303 C C6 . DU A 1 10 B 3.434 -3.511 31.235 1.00 0.00 ? 1 DU A C6 1 +ATOM 304 H "H5'" . DU A 1 10 B -0.412 -6.396 30.816 1.00 0.00 ? 1 DU A "H5'" 1 +ATOM 305 H "H5''" . DU A 1 10 B 0.514 -7.451 31.888 1.00 0.00 ? 1 DU A "H5''" 1 +ATOM 306 H "H4'" . DU A 1 10 B 1.198 -7.314 29.415 1.00 0.00 ? 1 DU A "H4'" 1 +ATOM 307 H "H3'" . DU A 1 10 B 3.041 -7.311 31.718 1.00 0.00 ? 1 DU A "H3'" 1 +ATOM 308 H "H2'" . DU A 1 10 B 4.672 -5.909 30.853 1.00 0.00 ? 1 DU A "H2'" 1 +ATOM 309 H "H2''" . DU A 1 10 B 4.658 -6.775 29.306 1.00 0.00 ? 1 DU A "H2''" 1 +ATOM 310 H "H1'" . DU A 1 10 B 3.426 -5.282 28.260 1.00 0.00 ? 1 DU A "H1'" 1 +ATOM 311 H H3 . DU A 1 10 B 4.815 -0.971 28.859 1.00 0.00 ? 1 DU A H3 1 +ATOM 312 H H5 . DU A 1 10 B 3.593 -1.995 32.727 1.00 0.00 ? 1 DU A H5 1 +ATOM 313 H H6 . DU A 1 10 B 3.015 -4.247 31.913 1.00 0.00 ? 1 DU A H6 1 +ATOM 314 P P . DT A 1 11 B 4.388 -9.417 30.361 1.00 0.00 ? 2 DT A P 1 +ATOM 315 O OP1 . DT A 1 11 B 4.261 -9.939 31.737 1.00 0.00 ? 2 DT A OP1 1 +ATOM 316 O OP2 . DT A 1 11 B 5.605 -8.670 29.969 1.00 0.00 ? 2 DT A OP2 1 +ATOM 317 O "O5'" . DT A 1 11 B 4.220 -10.646 29.329 1.00 0.00 ? 2 DT A "O5'" 1 +ATOM 318 C "C5'" . DT A 1 11 B 4.299 -10.479 27.915 1.00 0.00 ? 2 DT A "C5'" 1 +ATOM 319 C "C4'" . DT A 1 11 B 3.098 -9.723 27.298 1.00 0.00 ? 2 DT A "C4'" 1 +ATOM 320 O "O4'" . DT A 1 11 B 3.291 -8.306 27.303 1.00 0.00 ? 2 DT A "O4'" 1 +ATOM 321 C "C3'" . DT A 1 11 B 2.807 -10.110 25.832 1.00 0.00 ? 2 DT A "C3'" 1 +ATOM 322 O "O3'" . DT A 1 11 B 1.442 -10.440 25.675 1.00 0.00 ? 2 DT A "O3'" 1 +ATOM 323 C "C2'" . DT A 1 11 B 3.160 -8.827 25.090 1.00 0.00 ? 2 DT A "C2'" 1 +ATOM 324 C "C1'" . DT A 1 11 B 2.744 -7.773 26.110 1.00 0.00 ? 2 DT A "C1'" 1 +ATOM 325 N N1 . DT A 1 11 B 3.341 -6.447 25.783 1.00 0.00 ? 2 DT A N1 1 +ATOM 326 C C2 . DT A 1 11 B 2.518 -5.499 25.168 1.00 0.00 ? 2 DT A C2 1 +ATOM 327 O O2 . DT A 1 11 B 1.305 -5.592 25.037 1.00 0.00 ? 2 DT A O2 1 +ATOM 328 N N3 . DT A 1 11 B 3.125 -4.368 24.694 1.00 0.00 ? 2 DT A N3 1 +ATOM 329 C C4 . DT A 1 11 B 4.451 -4.046 24.828 1.00 0.00 ? 2 DT A C4 1 +ATOM 330 O O4 . DT A 1 11 B 4.842 -3.002 24.323 1.00 0.00 ? 2 DT A O4 1 +ATOM 331 C C5 . DT A 1 11 B 5.259 -5.031 25.551 1.00 0.00 ? 2 DT A C5 1 +ATOM 332 C C7 . DT A 1 11 B 6.746 -4.801 25.825 1.00 0.00 ? 2 DT A C7 1 +ATOM 333 C C6 . DT A 1 11 B 4.687 -6.184 25.991 1.00 0.00 ? 2 DT A C6 1 +ATOM 334 H "H5'" . DT A 1 11 B 4.301 -11.495 27.518 1.00 0.00 ? 2 DT A "H5'" 1 +ATOM 335 H "H5''" . DT A 1 11 B 5.240 -10.009 27.621 1.00 0.00 ? 2 DT A "H5''" 1 +ATOM 336 H "H4'" . DT A 1 11 B 2.213 -9.960 27.894 1.00 0.00 ? 2 DT A "H4'" 1 +ATOM 337 H "H3'" . DT A 1 11 B 3.443 -10.937 25.506 1.00 0.00 ? 2 DT A "H3'" 1 +ATOM 338 H "H2'" . DT A 1 11 B 4.228 -8.826 24.880 1.00 0.00 ? 2 DT A "H2'" 1 +ATOM 339 H "H2''" . DT A 1 11 B 2.617 -8.714 24.157 1.00 0.00 ? 2 DT A "H2''" 1 +ATOM 340 H "H1'" . DT A 1 11 B 1.653 -7.744 26.207 1.00 0.00 ? 2 DT A "H1'" 1 +ATOM 341 H H3 . DT A 1 11 B 2.569 -3.775 24.100 1.00 0.00 ? 2 DT A H3 1 +ATOM 342 H H71 . DT A 1 11 B 6.924 -4.780 26.902 1.00 0.00 ? 2 DT A H71 1 +ATOM 343 H H72 . DT A 1 11 B 7.340 -5.602 25.380 1.00 0.00 ? 2 DT A H72 1 +ATOM 344 H H73 . DT A 1 11 B 7.081 -3.850 25.405 1.00 0.00 ? 2 DT A H73 1 +ATOM 345 H H6 . DT A 1 11 B 5.320 -6.895 26.509 1.00 0.00 ? 2 DT A H6 1 +ATOM 346 P P . DG A 1 12 B 0.863 -11.027 24.293 1.00 0.00 ? 3 DG A P 1 +ATOM 347 O OP1 . DG A 1 12 B -0.110 -12.086 24.631 1.00 0.00 ? 3 DG A OP1 1 +ATOM 348 O OP2 . DG A 1 12 B 2.005 -11.329 23.404 1.00 0.00 ? 3 DG A OP2 1 +ATOM 349 O "O5'" . DG A 1 12 B 0.057 -9.773 23.685 1.00 0.00 ? 3 DG A "O5'" 1 +ATOM 350 C "C5'" . DG A 1 12 B -0.960 -9.133 24.438 1.00 0.00 ? 3 DG A "C5'" 1 +ATOM 351 C "C4'" . DG A 1 12 B -1.750 -8.103 23.616 1.00 0.00 ? 3 DG A "C4'" 1 +ATOM 352 O "O4'" . DG A 1 12 B -0.939 -7.035 23.116 1.00 0.00 ? 3 DG A "O4'" 1 +ATOM 353 C "C3'" . DG A 1 12 B -2.527 -8.703 22.418 1.00 0.00 ? 3 DG A "C3'" 1 +ATOM 354 O "O3'" . DG A 1 12 B -3.902 -8.361 22.492 1.00 0.00 ? 3 DG A "O3'" 1 +ATOM 355 C "C2'" . DG A 1 12 B -1.842 -7.976 21.263 1.00 0.00 ? 3 DG A "C2'" 1 +ATOM 356 C "C1'" . DG A 1 12 B -1.570 -6.627 21.923 1.00 0.00 ? 3 DG A "C1'" 1 +ATOM 357 N N9 . DG A 1 12 B -0.806 -5.645 21.113 1.00 0.00 ? 3 DG A N9 1 +ATOM 358 C C8 . DG A 1 12 B 0.430 -5.730 20.521 1.00 0.00 ? 3 DG A C8 1 +ATOM 359 N N7 . DG A 1 12 B 0.810 -4.650 19.895 1.00 0.00 ? 3 DG A N7 1 +ATOM 360 C C5 . DG A 1 12 B -0.259 -3.770 20.075 1.00 0.00 ? 3 DG A C5 1 +ATOM 361 C C6 . DG A 1 12 B -0.495 -2.424 19.626 1.00 0.00 ? 3 DG A C6 1 +ATOM 362 O O6 . DG A 1 12 B 0.227 -1.691 18.961 1.00 0.00 ? 3 DG A O6 1 +ATOM 363 N N1 . DG A 1 12 B -1.715 -1.903 20.016 1.00 0.00 ? 3 DG A N1 1 +ATOM 364 C C2 . DG A 1 12 B -2.638 -2.615 20.703 1.00 0.00 ? 3 DG A C2 1 +ATOM 365 N N2 . DG A 1 12 B -3.836 -2.114 20.765 1.00 0.00 ? 3 DG A N2 1 +ATOM 366 N N3 . DG A 1 12 B -2.472 -3.867 21.108 1.00 0.00 ? 3 DG A N3 1 +ATOM 367 C C4 . DG A 1 12 B -1.255 -4.387 20.793 1.00 0.00 ? 3 DG A C4 1 +ATOM 368 H "H5'" . DG A 1 12 B -0.514 -8.622 25.293 1.00 0.00 ? 3 DG A "H5'" 1 +ATOM 369 H "H5''" . DG A 1 12 B -1.673 -9.872 24.811 1.00 0.00 ? 3 DG A "H5''" 1 +ATOM 370 H "H4'" . DG A 1 12 B -2.474 -7.656 24.302 1.00 0.00 ? 3 DG A "H4'" 1 +ATOM 371 H "H3'" . DG A 1 12 B -2.392 -9.786 22.355 1.00 0.00 ? 3 DG A "H3'" 1 +ATOM 372 H "H2'" . DG A 1 12 B -0.970 -8.560 20.999 1.00 0.00 ? 3 DG A "H2'" 1 +ATOM 373 H "H2''" . DG A 1 12 B -2.426 -7.872 20.366 1.00 0.00 ? 3 DG A "H2''" 1 +ATOM 374 H "H1'" . DG A 1 12 B -2.519 -6.167 22.206 1.00 0.00 ? 3 DG A "H1'" 1 +ATOM 375 H H8 . DG A 1 12 B 1.056 -6.601 20.534 1.00 0.00 ? 3 DG A H8 1 +ATOM 376 H H1 . DG A 1 12 B -1.917 -0.960 19.708 1.00 0.00 ? 3 DG A H1 1 +ATOM 377 H H21 . DG A 1 12 B -4.028 -1.197 20.391 1.00 0.00 ? 3 DG A H21 1 +ATOM 378 H H22 . DG A 1 12 B -4.551 -2.800 20.950 1.00 0.00 ? 3 DG A H22 1 +ATOM 379 P P . DG A 1 13 B -4.993 -8.983 21.480 1.00 0.00 ? 4 DG A P 1 +ATOM 380 O OP1 . DG A 1 13 B -5.913 -9.829 22.267 1.00 0.00 ? 4 DG A OP1 1 +ATOM 381 O OP2 . DG A 1 13 B -4.285 -9.552 20.313 1.00 0.00 ? 4 DG A OP2 1 +ATOM 382 O "O5'" . DG A 1 13 B -5.802 -7.680 20.978 1.00 0.00 ? 4 DG A "O5'" 1 +ATOM 383 C "C5'" . DG A 1 13 B -5.118 -6.573 20.422 1.00 0.00 ? 4 DG A "C5'" 1 +ATOM 384 C "C4'" . DG A 1 13 B -6.077 -5.472 19.941 1.00 0.00 ? 4 DG A "C4'" 1 +ATOM 385 O "O4'" . DG A 1 13 B -5.279 -4.324 19.666 1.00 0.00 ? 4 DG A "O4'" 1 +ATOM 386 C "C3'" . DG A 1 13 B -6.807 -5.834 18.635 1.00 0.00 ? 4 DG A "C3'" 1 +ATOM 387 O "O3'" . DG A 1 13 B -8.013 -5.093 18.533 1.00 0.00 ? 4 DG A "O3'" 1 +ATOM 388 C "C2'" . DG A 1 13 B -5.785 -5.335 17.622 1.00 0.00 ? 4 DG A "C2'" 1 +ATOM 389 C "C1'" . DG A 1 13 B -5.359 -4.024 18.286 1.00 0.00 ? 4 DG A "C1'" 1 +ATOM 390 N N9 . DG A 1 13 B -4.057 -3.518 17.797 1.00 0.00 ? 4 DG A N9 1 +ATOM 391 C C8 . DG A 1 13 B -2.859 -4.170 17.629 1.00 0.00 ? 4 DG A C8 1 +ATOM 392 N N7 . DG A 1 13 B -1.926 -3.438 17.083 1.00 0.00 ? 4 DG A N7 1 +ATOM 393 C C5 . DG A 1 13 B -2.539 -2.192 16.903 1.00 0.00 ? 4 DG A C5 1 +ATOM 394 C C6 . DG A 1 13 B -2.055 -0.930 16.410 1.00 0.00 ? 4 DG A C6 1 +ATOM 395 O O6 . DG A 1 13 B -0.956 -0.650 15.946 1.00 0.00 ? 4 DG A O6 1 +ATOM 396 N N1 . DG A 1 13 B -2.976 0.100 16.475 1.00 0.00 ? 4 DG A N1 1 +ATOM 397 C C2 . DG A 1 13 B -4.224 -0.063 16.974 1.00 0.00 ? 4 DG A C2 1 +ATOM 398 N N2 . DG A 1 13 B -5.019 0.966 16.938 1.00 0.00 ? 4 DG A N2 1 +ATOM 399 N N3 . DG A 1 13 B -4.721 -1.214 17.404 1.00 0.00 ? 4 DG A N3 1 +ATOM 400 C C4 . DG A 1 13 B -3.835 -2.241 17.353 1.00 0.00 ? 4 DG A C4 1 +ATOM 401 H "H5'" . DG A 1 13 B -4.477 -6.890 19.599 1.00 0.00 ? 4 DG A "H5'" 1 +ATOM 402 H "H5''" . DG A 1 13 B -4.494 -6.136 21.201 1.00 0.00 ? 4 DG A "H5''" 1 +ATOM 403 H "H4'" . DG A 1 13 B -6.792 -5.254 20.737 1.00 0.00 ? 4 DG A "H4'" 1 +ATOM 404 H "H3'" . DG A 1 13 B -6.994 -6.908 18.556 1.00 0.00 ? 4 DG A "H3'" 1 +ATOM 405 H "H2'" . DG A 1 13 B -4.971 -6.054 17.554 1.00 0.00 ? 4 DG A "H2'" 1 +ATOM 406 H "H2''" . DG A 1 13 B -6.218 -5.202 16.636 1.00 0.00 ? 4 DG A "H2''" 1 +ATOM 407 H "H1'" . DG A 1 13 B -6.147 -3.283 18.142 1.00 0.00 ? 4 DG A "H1'" 1 +ATOM 408 H H8 . DG A 1 13 B -2.672 -5.196 17.914 1.00 0.00 ? 4 DG A H8 1 +ATOM 409 H H1 . DG A 1 13 B -2.643 1.027 16.236 1.00 0.00 ? 4 DG A H1 1 +ATOM 410 H H21 . DG A 1 13 B -4.696 1.864 16.615 1.00 0.00 ? 4 DG A H21 1 +ATOM 411 H H22 . DG A 1 13 B -5.959 0.781 17.237 1.00 0.00 ? 4 DG A H22 1 +ATOM 412 P P . DA A 1 14 B -8.963 -5.173 17.232 1.00 0.00 ? 5 DA A P 1 +ATOM 413 O OP1 . DA A 1 14 B -10.361 -5.001 17.682 1.00 0.00 ? 5 DA A OP1 1 +ATOM 414 O OP2 . DA A 1 14 B -8.584 -6.374 16.458 1.00 0.00 ? 5 DA A OP2 1 +ATOM 415 O "O5'" . DA A 1 14 B -8.549 -3.866 16.369 1.00 0.00 ? 5 DA A "O5'" 1 +ATOM 416 C "C5'" . DA A 1 14 B -8.931 -2.564 16.788 1.00 0.00 ? 5 DA A "C5'" 1 +ATOM 417 C "C4'" . DA A 1 14 B -8.585 -1.455 15.774 1.00 0.00 ? 5 DA A "C4'" 1 +ATOM 418 O "O4'" . DA A 1 14 B -7.186 -1.226 15.630 1.00 0.00 ? 5 DA A "O4'" 1 +ATOM 419 C "C3'" . DA A 1 14 B -9.154 -1.651 14.353 1.00 0.00 ? 5 DA A "C3'" 1 +ATOM 420 O "O3'" . DA A 1 14 B -9.965 -0.550 13.987 1.00 0.00 ? 5 DA A "O3'" 1 +ATOM 421 C "C2'" . DA A 1 14 B -7.872 -1.717 13.525 1.00 0.00 ? 5 DA A "C2'" 1 +ATOM 422 C "C1'" . DA A 1 14 B -6.972 -0.766 14.310 1.00 0.00 ? 5 DA A "C1'" 1 +ATOM 423 N N9 . DA A 1 14 B -5.540 -0.903 13.962 1.00 0.00 ? 5 DA A N9 1 +ATOM 424 C C8 . DA A 1 14 B -4.772 -2.043 13.876 1.00 0.00 ? 5 DA A C8 1 +ATOM 425 N N7 . DA A 1 14 B -3.528 -1.835 13.551 1.00 0.00 ? 5 DA A N7 1 +ATOM 426 C C5 . DA A 1 14 B -3.467 -0.448 13.415 1.00 0.00 ? 5 DA A C5 1 +ATOM 427 C C6 . DA A 1 14 B -2.446 0.470 13.094 1.00 0.00 ? 5 DA A C6 1 +ATOM 428 N N6 . DA A 1 14 B -1.212 0.107 12.815 1.00 0.00 ? 5 DA A N6 1 +ATOM 429 N N1 . DA A 1 14 B -2.685 1.784 13.018 1.00 0.00 ? 5 DA A N1 1 +ATOM 430 C C2 . DA A 1 14 B -3.915 2.203 13.298 1.00 0.00 ? 5 DA A C2 1 +ATOM 431 N N3 . DA A 1 14 B -4.968 1.460 13.626 1.00 0.00 ? 5 DA A N3 1 +ATOM 432 C C4 . DA A 1 14 B -4.683 0.129 13.661 1.00 0.00 ? 5 DA A C4 1 +ATOM 433 H "H5'" . DA A 1 14 B -8.452 -2.328 17.741 1.00 0.00 ? 5 DA A "H5'" 1 +ATOM 434 H "H5''" . DA A 1 14 B -10.013 -2.533 16.933 1.00 0.00 ? 5 DA A "H5''" 1 +ATOM 435 H "H4'" . DA A 1 14 B -9.001 -0.532 16.184 1.00 0.00 ? 5 DA A "H4'" 1 +ATOM 436 H "H3'" . DA A 1 14 B -9.710 -2.589 14.285 1.00 0.00 ? 5 DA A "H3'" 1 +ATOM 437 H "H2'" . DA A 1 14 B -7.521 -2.747 13.550 1.00 0.00 ? 5 DA A "H2'" 1 +ATOM 438 H "H2''" . DA A 1 14 B -8.003 -1.401 12.491 1.00 0.00 ? 5 DA A "H2''" 1 +ATOM 439 H "H1'" . DA A 1 14 B -7.322 0.268 14.206 1.00 0.00 ? 5 DA A "H1'" 1 +ATOM 440 H H8 . DA A 1 14 B -5.129 -3.045 14.040 1.00 0.00 ? 5 DA A H8 1 +ATOM 441 H H61 . DA A 1 14 B -0.542 0.834 12.622 1.00 0.00 ? 5 DA A H61 1 +ATOM 442 H H62 . DA A 1 14 B -0.957 -0.861 12.911 1.00 0.00 ? 5 DA A H62 1 +ATOM 443 H H2 . DA A 1 14 B -4.081 3.268 13.244 1.00 0.00 ? 5 DA A H2 1 +ATOM 444 P P . DT A 1 15 B -10.744 -0.501 12.581 1.00 0.00 ? 6 DT A P 1 +ATOM 445 O OP1 . DT A 1 15 B -11.982 0.284 12.772 1.00 0.00 ? 6 DT A OP1 1 +ATOM 446 O OP2 . DT A 1 15 B -10.813 -1.873 12.035 1.00 0.00 ? 6 DT A OP2 1 +ATOM 447 O "O5'" . DT A 1 15 B -9.737 0.358 11.666 1.00 0.00 ? 6 DT A "O5'" 1 +ATOM 448 C "C5'" . DT A 1 15 B -9.609 1.759 11.843 1.00 0.00 ? 6 DT A "C5'" 1 +ATOM 449 C "C4'" . DT A 1 15 B -8.486 2.352 10.980 1.00 0.00 ? 6 DT A "C4'" 1 +ATOM 450 O "O4'" . DT A 1 15 B -7.220 1.800 11.313 1.00 0.00 ? 6 DT A "O4'" 1 +ATOM 451 C "C3'" . DT A 1 15 B -8.649 2.131 9.466 1.00 0.00 ? 6 DT A "C3'" 1 +ATOM 452 O "O3'" . DT A 1 15 B -9.259 3.258 8.862 1.00 0.00 ? 6 DT A "O3'" 1 +ATOM 453 C "C2'" . DT A 1 15 B -7.196 1.973 8.999 1.00 0.00 ? 6 DT A "C2'" 1 +ATOM 454 C "C1'" . DT A 1 15 B -6.360 2.161 10.262 1.00 0.00 ? 6 DT A "C1'" 1 +ATOM 455 N N1 . DT A 1 15 B -5.151 1.291 10.227 1.00 0.00 ? 6 DT A N1 1 +ATOM 456 C C2 . DT A 1 15 B -3.945 1.939 9.972 1.00 0.00 ? 6 DT A C2 1 +ATOM 457 O O2 . DT A 1 15 B -3.824 3.144 9.823 1.00 0.00 ? 6 DT A O2 1 +ATOM 458 N N3 . DT A 1 15 B -2.834 1.157 9.853 1.00 0.00 ? 6 DT A N3 1 +ATOM 459 C C4 . DT A 1 15 B -2.806 -0.209 9.860 1.00 0.00 ? 6 DT A C4 1 +ATOM 460 O O4 . DT A 1 15 B -1.745 -0.755 9.578 1.00 0.00 ? 6 DT A O4 1 +ATOM 461 C C5 . DT A 1 15 B -4.087 -0.855 10.158 1.00 0.00 ? 6 DT A C5 1 +ATOM 462 C C7 . DT A 1 15 B -4.196 -2.377 10.248 1.00 0.00 ? 6 DT A C7 1 +ATOM 463 C C6 . DT A 1 15 B -5.209 -0.098 10.325 1.00 0.00 ? 6 DT A C6 1 +ATOM 464 H "H5'" . DT A 1 15 B -9.385 1.985 12.889 1.00 0.00 ? 6 DT A "H5'" 1 +ATOM 465 H "H5''" . DT A 1 15 B -10.547 2.249 11.574 1.00 0.00 ? 6 DT A "H5''" 1 +ATOM 466 H "H4'" . DT A 1 15 B -8.444 3.426 11.179 1.00 0.00 ? 6 DT A "H4'" 1 +ATOM 467 H "H3'" . DT A 1 15 B -9.216 1.214 9.281 1.00 0.00 ? 6 DT A "H3'" 1 +ATOM 468 H "H2'" . DT A 1 15 B -7.082 0.975 8.575 1.00 0.00 ? 6 DT A "H2'" 1 +ATOM 469 H "H2''" . DT A 1 15 B -6.892 2.714 8.265 1.00 0.00 ? 6 DT A "H2''" 1 +ATOM 470 H "H1'" . DT A 1 15 B -6.148 3.244 10.377 1.00 0.00 ? 6 DT A "H1'" 1 +ATOM 471 H H3 . DT A 1 15 B -1.984 1.648 9.618 1.00 0.00 ? 6 DT A H3 1 +ATOM 472 H H71 . DT A 1 15 B -4.396 -2.794 9.260 1.00 0.00 ? 6 DT A H71 1 +ATOM 473 H H72 . DT A 1 15 B -3.264 -2.802 10.628 1.00 0.00 ? 6 DT A H72 1 +ATOM 474 H H73 . DT A 1 15 B -4.996 -2.681 10.926 1.00 0.00 ? 6 DT A H73 1 +ATOM 475 H H6 . DT A 1 15 B -6.138 -0.636 10.515 1.00 0.00 ? 6 DT A H6 1 +ATOM 476 P P . DC A 1 16 B -9.671 3.269 7.304 1.00 0.00 ? 7 DC A P 1 +ATOM 477 O OP1 . DC A 1 16 B -10.668 4.342 7.107 1.00 0.00 ? 7 DC A OP1 1 +ATOM 478 O OP2 . DC A 1 16 B -9.989 1.883 6.900 1.00 0.00 ? 7 DC A OP2 1 +ATOM 479 O "O5'" . DC A 1 16 B -8.316 3.708 6.551 1.00 0.00 ? 7 DC A "O5'" 1 +ATOM 480 C "C5'" . DC A 1 16 B -7.817 5.033 6.641 1.00 0.00 ? 7 DC A "C5'" 1 +ATOM 481 C "C4'" . DC A 1 16 B -6.427 5.163 5.993 1.00 0.00 ? 7 DC A "C4'" 1 +ATOM 482 O "O4'" . DC A 1 16 B -5.474 4.331 6.635 1.00 0.00 ? 7 DC A "O4'" 1 +ATOM 483 C "C3'" . DC A 1 16 B -6.386 4.784 4.503 1.00 0.00 ? 7 DC A "C3'" 1 +ATOM 484 O "O3'" . DC A 1 16 B -6.506 5.940 3.697 1.00 0.00 ? 7 DC A "O3'" 1 +ATOM 485 C "C2'" . DC A 1 16 B -5.010 4.119 4.354 1.00 0.00 ? 7 DC A "C2'" 1 +ATOM 486 C "C1'" . DC A 1 16 B -4.390 4.185 5.747 1.00 0.00 ? 7 DC A "C1'" 1 +ATOM 487 N N1 . DC A 1 16 B -3.613 2.958 6.039 1.00 0.00 ? 7 DC A N1 1 +ATOM 488 C C2 . DC A 1 16 B -2.265 2.941 5.694 1.00 0.00 ? 7 DC A C2 1 +ATOM 489 O O2 . DC A 1 16 B -1.738 3.903 5.151 1.00 0.00 ? 7 DC A O2 1 +ATOM 490 N N3 . DC A 1 16 B -1.500 1.849 5.954 1.00 0.00 ? 7 DC A N3 1 +ATOM 491 C C4 . DC A 1 16 B -2.077 0.801 6.514 1.00 0.00 ? 7 DC A C4 1 +ATOM 492 N N4 . DC A 1 16 B -1.289 -0.196 6.794 1.00 0.00 ? 7 DC A N4 1 +ATOM 493 C C5 . DC A 1 16 B -3.472 0.718 6.786 1.00 0.00 ? 7 DC A C5 1 +ATOM 494 C C6 . DC A 1 16 B -4.210 1.825 6.535 1.00 0.00 ? 7 DC A C6 1 +ATOM 495 H "H5'" . DC A 1 16 B -7.731 5.332 7.688 1.00 0.00 ? 7 DC A "H5'" 1 +ATOM 496 H "H5''" . DC A 1 16 B -8.503 5.718 6.138 1.00 0.00 ? 7 DC A "H5''" 1 +ATOM 497 H "H4'" . DC A 1 16 B -6.091 6.197 6.105 1.00 0.00 ? 7 DC A "H4'" 1 +ATOM 498 H "H3'" . DC A 1 16 B -7.176 4.062 4.281 1.00 0.00 ? 7 DC A "H3'" 1 +ATOM 499 H "H2'" . DC A 1 16 B -5.162 3.090 4.024 1.00 0.00 ? 7 DC A "H2'" 1 +ATOM 500 H "H2''" . DC A 1 16 B -4.356 4.630 3.650 1.00 0.00 ? 7 DC A "H2''" 1 +ATOM 501 H "H1'" . DC A 1 16 B -3.785 5.092 5.840 1.00 0.00 ? 7 DC A "H1'" 1 +ATOM 502 H H41 . DC A 1 16 B -0.323 0.007 6.592 1.00 0.00 ? 7 DC A H41 1 +ATOM 503 H H42 . DC A 1 16 B -1.573 -0.861 7.494 1.00 0.00 ? 7 DC A H42 1 +ATOM 504 H H5 . DC A 1 16 B -3.943 -0.175 7.162 1.00 0.00 ? 7 DC A H5 1 +ATOM 505 H H6 . DC A 1 16 B -5.278 1.812 6.719 1.00 0.00 ? 7 DC A H6 1 +ATOM 506 P P . DC A 1 17 B -6.515 5.847 2.092 1.00 0.00 ? 8 DC A P 1 +ATOM 507 O OP1 . DC A 1 17 B -7.279 6.993 1.556 1.00 0.00 ? 8 DC A OP1 1 +ATOM 508 O OP2 . DC A 1 17 B -6.883 4.468 1.704 1.00 0.00 ? 8 DC A OP2 1 +ATOM 509 O "O5'" . DC A 1 17 B -4.968 6.068 1.711 1.00 0.00 ? 8 DC A "O5'" 1 +ATOM 510 C "C5'" . DC A 1 17 B -4.446 5.593 0.485 1.00 0.00 ? 8 DC A "C5'" 1 +ATOM 511 C "C4'" . DC A 1 17 B -2.955 5.953 0.335 1.00 0.00 ? 8 DC A "C4'" 1 +ATOM 512 O "O4'" . DC A 1 17 B -2.177 5.320 1.350 1.00 0.00 ? 8 DC A "O4'" 1 +ATOM 513 C "C3'" . DC A 1 17 B -2.427 5.452 -1.020 1.00 0.00 ? 8 DC A "C3'" 1 +ATOM 514 O "O3'" . DC A 1 17 B -1.435 6.329 -1.519 1.00 0.00 ? 8 DC A "O3'" 1 +ATOM 515 C "C2'" . DC A 1 17 B -1.832 4.108 -0.617 1.00 0.00 ? 8 DC A "C2'" 1 +ATOM 516 C "C1'" . DC A 1 17 B -1.249 4.433 0.754 1.00 0.00 ? 8 DC A "C1'" 1 +ATOM 517 N N1 . DC A 1 17 B -1.125 3.199 1.570 1.00 0.00 ? 8 DC A N1 1 +ATOM 518 C C2 . DC A 1 17 B 0.118 2.576 1.658 1.00 0.00 ? 8 DC A C2 1 +ATOM 519 O O2 . DC A 1 17 B 1.109 3.060 1.131 1.00 0.00 ? 8 DC A O2 1 +ATOM 520 N N3 . DC A 1 17 B 0.260 1.405 2.334 1.00 0.00 ? 8 DC A N3 1 +ATOM 521 C C4 . DC A 1 17 B -0.810 0.878 2.906 1.00 0.00 ? 8 DC A C4 1 +ATOM 522 N N4 . DC A 1 17 B -0.617 -0.232 3.559 1.00 0.00 ? 8 DC A N4 1 +ATOM 523 C C5 . DC A 1 17 B -2.113 1.450 2.823 1.00 0.00 ? 8 DC A C5 1 +ATOM 524 C C6 . DC A 1 17 B -2.225 2.620 2.151 1.00 0.00 ? 8 DC A C6 1 +ATOM 525 H "H5'" . DC A 1 17 B -5.000 6.051 -0.337 1.00 0.00 ? 8 DC A "H5'" 1 +ATOM 526 H "H5''" . DC A 1 17 B -4.562 4.509 0.425 1.00 0.00 ? 8 DC A "H5''" 1 +ATOM 527 H "H4'" . DC A 1 17 B -2.853 7.037 0.408 1.00 0.00 ? 8 DC A "H4'" 1 +ATOM 528 H "H3'" . DC A 1 17 B -3.250 5.332 -1.729 1.00 0.00 ? 8 DC A "H3'" 1 +ATOM 529 H "H2'" . DC A 1 17 B -2.635 3.374 -0.543 1.00 0.00 ? 8 DC A "H2'" 1 +ATOM 530 H "H2''" . DC A 1 17 B -1.069 3.751 -1.302 1.00 0.00 ? 8 DC A "H2''" 1 +ATOM 531 H "H1'" . DC A 1 17 B -0.309 4.977 0.638 1.00 0.00 ? 8 DC A "H1'" 1 +ATOM 532 H H41 . DC A 1 17 B 0.337 -0.557 3.569 1.00 0.00 ? 8 DC A H41 1 +ATOM 533 H H42 . DC A 1 17 B -1.350 -0.646 4.100 1.00 0.00 ? 8 DC A H42 1 +ATOM 534 H H5 . DC A 1 17 B -2.979 0.995 3.274 1.00 0.00 ? 8 DC A H5 1 +ATOM 535 H H6 . DC A 1 17 B -3.192 3.102 2.054 1.00 0.00 ? 8 DC A H6 1 +ATOM 536 P P . DT A 1 18 B -0.982 6.291 -3.062 1.00 0.00 ? 9 DT A P 1 +ATOM 537 O OP1 . DT A 1 18 B -0.321 7.574 -3.379 1.00 0.00 ? 9 DT A OP1 1 +ATOM 538 O OP2 . DT A 1 18 B -2.136 5.841 -3.871 1.00 0.00 ? 9 DT A OP2 1 +ATOM 539 O "O5'" . DT A 1 18 B 0.129 5.131 -3.104 1.00 0.00 ? 9 DT A "O5'" 1 +ATOM 540 C "C5'" . DT A 1 18 B 1.493 5.402 -2.827 1.00 0.00 ? 9 DT A "C5'" 1 +ATOM 541 C "C4'" . DT A 1 18 B 2.335 4.119 -2.900 1.00 0.00 ? 9 DT A "C4'" 1 +ATOM 542 O "O4'" . DT A 1 18 B 2.001 3.219 -1.856 1.00 0.00 ? 9 DT A "O4'" 1 +ATOM 543 C "C3'" . DT A 1 18 B 2.139 3.324 -4.202 1.00 0.00 ? 9 DT A "C3'" 1 +ATOM 544 O "O3'" . DT A 1 18 B 3.202 3.551 -5.105 1.00 0.00 ? 9 DT A "O3'" 1 +ATOM 545 C "C2'" . DT A 1 18 B 2.177 1.865 -3.743 1.00 0.00 ? 9 DT A "C2'" 1 +ATOM 546 C "C1'" . DT A 1 18 B 2.483 1.957 -2.249 1.00 0.00 ? 9 DT A "C1'" 1 +ATOM 547 N N1 . DT A 1 18 B 1.774 0.889 -1.492 1.00 0.00 ? 9 DT A N1 1 +ATOM 548 C C2 . DT A 1 18 B 2.570 -0.108 -0.939 1.00 0.00 ? 9 DT A C2 1 +ATOM 549 O O2 . DT A 1 18 B 3.774 -0.211 -1.122 1.00 0.00 ? 9 DT A O2 1 +ATOM 550 N N3 . DT A 1 18 B 1.944 -1.041 -0.166 1.00 0.00 ? 9 DT A N3 1 +ATOM 551 C C4 . DT A 1 18 B 0.603 -1.098 0.100 1.00 0.00 ? 9 DT A C4 1 +ATOM 552 O O4 . DT A 1 18 B 0.212 -1.970 0.866 1.00 0.00 ? 9 DT A O4 1 +ATOM 553 C C5 . DT A 1 18 B -0.215 -0.112 -0.612 1.00 0.00 ? 9 DT A C5 1 +ATOM 554 C C7 . DT A 1 18 B -1.744 -0.160 -0.554 1.00 0.00 ? 9 DT A C7 1 +ATOM 555 C C6 . DT A 1 18 B 0.388 0.842 -1.377 1.00 0.00 ? 9 DT A C6 1 +ATOM 556 H "H5'" . DT A 1 18 B 1.600 5.840 -1.832 1.00 0.00 ? 9 DT A "H5'" 1 +ATOM 557 H "H5''" . DT A 1 18 B 1.884 6.106 -3.565 1.00 0.00 ? 9 DT A "H5''" 1 +ATOM 558 H "H4'" . DT A 1 18 B 3.389 4.386 -2.789 1.00 0.00 ? 9 DT A "H4'" 1 +ATOM 559 H "H3'" . DT A 1 18 B 1.188 3.543 -4.691 1.00 0.00 ? 9 DT A "H3'" 1 +ATOM 560 H "H2'" . DT A 1 18 B 1.196 1.429 -3.931 1.00 0.00 ? 9 DT A "H2'" 1 +ATOM 561 H "H2''" . DT A 1 18 B 2.924 1.265 -4.250 1.00 0.00 ? 9 DT A "H2''" 1 +ATOM 562 H "H1'" . DT A 1 18 B 3.586 1.973 -2.119 1.00 0.00 ? 9 DT A "H1'" 1 +ATOM 563 H H3 . DT A 1 18 B 2.529 -1.769 0.219 1.00 0.00 ? 9 DT A H3 1 +ATOM 564 H H71 . DT A 1 18 B -2.087 -0.966 0.098 1.00 0.00 ? 9 DT A H71 1 +ATOM 565 H H72 . DT A 1 18 B -2.147 0.776 -0.169 1.00 0.00 ? 9 DT A H72 1 +ATOM 566 H H73 . DT A 1 18 B -2.150 -0.331 -1.553 1.00 0.00 ? 9 DT A H73 1 +ATOM 567 H H6 . DT A 1 18 B -0.253 1.543 -1.910 1.00 0.00 ? 9 DT A H6 1 +ATOM 568 O "O5'" . DA A 1 1 ? 8.023 -10.510 -0.115 1.00 0.00 ? 1 DA A "O5'" 2 +ATOM 569 C "C5'" . DA A 1 1 ? 8.692 -9.659 0.792 1.00 0.00 ? 1 DA A "C5'" 2 +ATOM 570 C "C4'" . DA A 1 1 ? 8.731 -8.236 0.217 1.00 0.00 ? 1 DA A "C4'" 2 +ATOM 571 O "O4'" . DA A 1 1 ? 7.396 -7.785 -0.001 1.00 0.00 ? 1 DA A "O4'" 2 +ATOM 572 C "C3'" . DA A 1 1 ? 9.402 -7.239 1.182 1.00 0.00 ? 1 DA A "C3'" 2 +ATOM 573 O "O3'" . DA A 1 1 ? 10.268 -6.372 0.480 1.00 0.00 ? 1 DA A "O3'" 2 +ATOM 574 C "C2'" . DA A 1 1 ? 8.191 -6.486 1.716 1.00 0.00 ? 1 DA A "C2'" 2 +ATOM 575 C "C1'" . DA A 1 1 ? 7.311 -6.455 0.472 1.00 0.00 ? 1 DA A "C1'" 2 +ATOM 576 N N9 . DA A 1 1 ? 5.919 -6.130 0.833 1.00 0.00 ? 1 DA A N9 2 +ATOM 577 C C8 . DA A 1 1 ? 5.030 -6.881 1.559 1.00 0.00 ? 1 DA A C8 2 +ATOM 578 N N7 . DA A 1 1 ? 3.871 -6.313 1.748 1.00 0.00 ? 1 DA A N7 2 +ATOM 579 C C5 . DA A 1 1 ? 4.016 -5.079 1.101 1.00 0.00 ? 1 DA A C5 2 +ATOM 580 C C6 . DA A 1 1 ? 3.192 -3.948 0.899 1.00 0.00 ? 1 DA A C6 2 +ATOM 581 N N6 . DA A 1 1 ? 1.957 -3.838 1.348 1.00 0.00 ? 1 DA A N6 2 +ATOM 582 N N1 . DA A 1 1 ? 3.623 -2.893 0.193 1.00 0.00 ? 1 DA A N1 2 +ATOM 583 C C2 . DA A 1 1 ? 4.857 -2.933 -0.298 1.00 0.00 ? 1 DA A C2 2 +ATOM 584 N N3 . DA A 1 1 ? 5.739 -3.920 -0.186 1.00 0.00 ? 1 DA A N3 2 +ATOM 585 C C4 . DA A 1 1 ? 5.258 -4.967 0.537 1.00 0.00 ? 1 DA A C4 2 +ATOM 586 H "H5'" . DA A 1 1 ? 9.705 -10.030 0.950 1.00 0.00 ? 1 DA A "H5'" 2 +ATOM 587 H "H5''" . DA A 1 1 ? 8.157 -9.662 1.743 1.00 0.00 ? 1 DA A "H5''" 2 +ATOM 588 H "H4'" . DA A 1 1 ? 9.271 -8.254 -0.732 1.00 0.00 ? 1 DA A "H4'" 2 +ATOM 589 H "H3'" . DA A 1 1 ? 9.928 -7.774 1.977 1.00 0.00 ? 1 DA A "H3'" 2 +ATOM 590 H "H2'" . DA A 1 1 ? 7.751 -7.067 2.525 1.00 0.00 ? 1 DA A "H2'" 2 +ATOM 591 H "H2''" . DA A 1 1 ? 8.408 -5.484 2.076 1.00 0.00 ? 1 DA A "H2''" 2 +ATOM 592 H "H1'" . DA A 1 1 ? 7.714 -5.788 -0.296 1.00 0.00 ? 1 DA A "H1'" 2 +ATOM 593 H H8 . DA A 1 1 ? 5.269 -7.861 1.942 1.00 0.00 ? 1 DA A H8 2 +ATOM 594 H H61 . DA A 1 1 ? 1.464 -2.974 1.166 1.00 0.00 ? 1 DA A H61 2 +ATOM 595 H H62 . DA A 1 1 ? 1.595 -4.551 1.955 1.00 0.00 ? 1 DA A H62 2 +ATOM 596 H H2 . DA A 1 1 ? 5.178 -2.072 -0.862 1.00 0.00 ? 1 DA A H2 2 +ATOM 597 H "HO5'" . DA A 1 1 ? 7.245 -10.034 -0.420 1.00 0.00 ? 1 DA A "HO5'" 2 +ATOM 598 P P . DG A 1 2 ? 11.294 -5.407 1.260 1.00 0.00 ? 2 DG A P 2 +ATOM 599 O OP1 . DG A 1 2 ? 12.434 -5.150 0.354 1.00 0.00 ? 2 DG A OP1 2 +ATOM 600 O OP2 . DG A 1 2 ? 11.534 -5.991 2.596 1.00 0.00 ? 2 DG A OP2 2 +ATOM 601 O "O5'" . DG A 1 2 ? 10.471 -4.034 1.445 1.00 0.00 ? 2 DG A "O5'" 2 +ATOM 602 C "C5'" . DG A 1 2 ? 10.337 -3.116 0.372 1.00 0.00 ? 2 DG A "C5'" 2 +ATOM 603 C "C4'" . DG A 1 2 ? 9.539 -1.861 0.763 1.00 0.00 ? 2 DG A "C4'" 2 +ATOM 604 O "O4'" . DG A 1 2 ? 8.158 -2.149 0.985 1.00 0.00 ? 2 DG A "O4'" 2 +ATOM 605 C "C3'" . DG A 1 2 ? 10.060 -1.123 2.020 1.00 0.00 ? 2 DG A "C3'" 2 +ATOM 606 O "O3'" . DG A 1 2 ? 10.211 0.261 1.738 1.00 0.00 ? 2 DG A "O3'" 2 +ATOM 607 C "C2'" . DG A 1 2 ? 8.885 -1.339 2.972 1.00 0.00 ? 2 DG A "C2'" 2 +ATOM 608 C "C1'" . DG A 1 2 ? 7.735 -1.242 1.978 1.00 0.00 ? 2 DG A "C1'" 2 +ATOM 609 N N9 . DG A 1 2 ? 6.421 -1.597 2.548 1.00 0.00 ? 2 DG A N9 2 +ATOM 610 C C8 . DG A 1 2 ? 6.020 -2.746 3.179 1.00 0.00 ? 2 DG A C8 2 +ATOM 611 N N7 . DG A 1 2 ? 4.741 -2.792 3.439 1.00 0.00 ? 2 DG A N7 2 +ATOM 612 C C5 . DG A 1 2 ? 4.264 -1.553 2.988 1.00 0.00 ? 2 DG A C5 2 +ATOM 613 C C6 . DG A 1 2 ? 2.953 -0.961 2.963 1.00 0.00 ? 2 DG A C6 2 +ATOM 614 O O6 . DG A 1 2 ? 1.884 -1.444 3.313 1.00 0.00 ? 2 DG A O6 2 +ATOM 615 N N1 . DG A 1 2 ? 2.912 0.323 2.449 1.00 0.00 ? 2 DG A N1 2 +ATOM 616 C C2 . DG A 1 2 ? 4.016 0.975 2.015 1.00 0.00 ? 2 DG A C2 2 +ATOM 617 N N2 . DG A 1 2 ? 3.871 2.226 1.683 1.00 0.00 ? 2 DG A N2 2 +ATOM 618 N N3 . DG A 1 2 ? 5.241 0.465 2.011 1.00 0.00 ? 2 DG A N3 2 +ATOM 619 C C4 . DG A 1 2 ? 5.302 -0.806 2.491 1.00 0.00 ? 2 DG A C4 2 +ATOM 620 H "H5'" . DG A 1 2 ? 9.840 -3.598 -0.473 1.00 0.00 ? 2 DG A "H5'" 2 +ATOM 621 H "H5''" . DG A 1 2 ? 11.328 -2.788 0.051 1.00 0.00 ? 2 DG A "H5''" 2 +ATOM 622 H "H4'" . DG A 1 2 ? 9.590 -1.181 -0.091 1.00 0.00 ? 2 DG A "H4'" 2 +ATOM 623 H "H3'" . DG A 1 2 ? 10.987 -1.561 2.398 1.00 0.00 ? 2 DG A "H3'" 2 +ATOM 624 H "H2'" . DG A 1 2 ? 8.947 -2.338 3.405 1.00 0.00 ? 2 DG A "H2'" 2 +ATOM 625 H "H2''" . DG A 1 2 ? 8.832 -0.596 3.763 1.00 0.00 ? 2 DG A "H2''" 2 +ATOM 626 H "H1'" . DG A 1 2 ? 7.687 -0.251 1.526 1.00 0.00 ? 2 DG A "H1'" 2 +ATOM 627 H H8 . DG A 1 2 ? 6.692 -3.551 3.432 1.00 0.00 ? 2 DG A H8 2 +ATOM 628 H H1 . DG A 1 2 ? 2.009 0.781 2.412 1.00 0.00 ? 2 DG A H1 2 +ATOM 629 H H21 . DG A 1 2 ? 2.967 2.677 1.707 1.00 0.00 ? 2 DG A H21 2 +ATOM 630 H H22 . DG A 1 2 ? 4.738 2.724 1.572 1.00 0.00 ? 2 DG A H22 2 +ATOM 631 P P . DG A 1 3 ? 10.890 1.289 2.783 1.00 0.00 ? 3 DG A P 2 +ATOM 632 O OP1 . DG A 1 3 ? 12.141 1.782 2.171 1.00 0.00 ? 3 DG A OP1 2 +ATOM 633 O OP2 . DG A 1 3 ? 10.925 0.653 4.117 1.00 0.00 ? 3 DG A OP2 2 +ATOM 634 O "O5'" . DG A 1 3 ? 9.836 2.515 2.843 1.00 0.00 ? 3 DG A "O5'" 2 +ATOM 635 C "C5'" . DG A 1 3 ? 8.497 2.320 3.269 1.00 0.00 ? 3 DG A "C5'" 2 +ATOM 636 C "C4'" . DG A 1 3 ? 7.676 3.623 3.211 1.00 0.00 ? 3 DG A "C4'" 2 +ATOM 637 O "O4'" . DG A 1 3 ? 6.294 3.277 3.167 1.00 0.00 ? 3 DG A "O4'" 2 +ATOM 638 C "C3'" . DG A 1 3 ? 7.873 4.515 4.449 1.00 0.00 ? 3 DG A "C3'" 2 +ATOM 639 O "O3'" . DG A 1 3 ? 7.597 5.865 4.120 1.00 0.00 ? 3 DG A "O3'" 2 +ATOM 640 C "C2'" . DG A 1 3 ? 6.795 3.949 5.368 1.00 0.00 ? 3 DG A "C2'" 2 +ATOM 641 C "C1'" . DG A 1 3 ? 5.666 3.675 4.372 1.00 0.00 ? 3 DG A "C1'" 2 +ATOM 642 N N9 . DG A 1 3 ? 4.777 2.586 4.825 1.00 0.00 ? 3 DG A N9 2 +ATOM 643 C C8 . DG A 1 3 ? 5.105 1.321 5.241 1.00 0.00 ? 3 DG A C8 2 +ATOM 644 N N7 . DG A 1 3 ? 4.087 0.589 5.600 1.00 0.00 ? 3 DG A N7 2 +ATOM 645 C C5 . DG A 1 3 ? 2.992 1.439 5.414 1.00 0.00 ? 3 DG A C5 2 +ATOM 646 C C6 . DG A 1 3 ? 1.583 1.260 5.628 1.00 0.00 ? 3 DG A C6 2 +ATOM 647 O O6 . DG A 1 3 ? 0.986 0.275 6.045 1.00 0.00 ? 3 DG A O6 2 +ATOM 648 N N1 . DG A 1 3 ? 0.819 2.372 5.328 1.00 0.00 ? 3 DG A N1 2 +ATOM 649 C C2 . DG A 1 3 ? 1.342 3.508 4.806 1.00 0.00 ? 3 DG A C2 2 +ATOM 650 N N2 . DG A 1 3 ? 0.526 4.488 4.546 1.00 0.00 ? 3 DG A N2 2 +ATOM 651 N N3 . DG A 1 3 ? 2.634 3.717 4.598 1.00 0.00 ? 3 DG A N3 2 +ATOM 652 C C4 . DG A 1 3 ? 3.413 2.654 4.930 1.00 0.00 ? 3 DG A C4 2 +ATOM 653 H "H5'" . DG A 1 3 ? 8.468 1.898 4.275 1.00 0.00 ? 3 DG A "H5'" 2 +ATOM 654 H "H5''" . DG A 1 3 ? 8.028 1.615 2.586 1.00 0.00 ? 3 DG A "H5''" 2 +ATOM 655 H "H4'" . DG A 1 3 ? 7.943 4.162 2.300 1.00 0.00 ? 3 DG A "H4'" 2 +ATOM 656 H "H3'" . DG A 1 3 ? 8.881 4.401 4.856 1.00 0.00 ? 3 DG A "H3'" 2 +ATOM 657 H "H2'" . DG A 1 3 ? 7.172 3.034 5.822 1.00 0.00 ? 3 DG A "H2'" 2 +ATOM 658 H "H2''" . DG A 1 3 ? 6.488 4.633 6.157 1.00 0.00 ? 3 DG A "H2''" 2 +ATOM 659 H "H1'" . DG A 1 3 ? 5.117 4.600 4.186 1.00 0.00 ? 3 DG A "H1'" 2 +ATOM 660 H H8 . DG A 1 3 ? 6.117 0.953 5.276 1.00 0.00 ? 3 DG A H8 2 +ATOM 661 H H1 . DG A 1 3 ? -0.180 2.272 5.472 1.00 0.00 ? 3 DG A H1 2 +ATOM 662 H H21 . DG A 1 3 ? -0.445 4.424 4.809 1.00 0.00 ? 3 DG A H21 2 +ATOM 663 H H22 . DG A 1 3 ? 0.961 5.329 4.217 1.00 0.00 ? 3 DG A H22 2 +ATOM 664 P P . DA A 1 4 ? 7.805 7.055 5.184 1.00 0.00 ? 4 DA A P 2 +ATOM 665 O OP1 . DA A 1 4 ? 8.000 8.312 4.429 1.00 0.00 ? 4 DA A OP1 2 +ATOM 666 O OP2 . DA A 1 4 ? 8.821 6.620 6.165 1.00 0.00 ? 4 DA A OP2 2 +ATOM 667 O "O5'" . DA A 1 4 ? 6.382 7.138 5.937 1.00 0.00 ? 4 DA A "O5'" 2 +ATOM 668 C "C5'" . DA A 1 4 ? 5.280 7.824 5.364 1.00 0.00 ? 4 DA A "C5'" 2 +ATOM 669 C "C4'" . DA A 1 4 ? 3.994 7.628 6.187 1.00 0.00 ? 4 DA A "C4'" 2 +ATOM 670 O "O4'" . DA A 1 4 ? 3.595 6.264 6.212 1.00 0.00 ? 4 DA A "O4'" 2 +ATOM 671 C "C3'" . DA A 1 4 ? 4.102 8.062 7.661 1.00 0.00 ? 4 DA A "C3'" 2 +ATOM 672 O "O3'" . DA A 1 4 ? 3.572 9.363 7.843 1.00 0.00 ? 4 DA A "O3'" 2 +ATOM 673 C "C2'" . DA A 1 4 ? 3.238 7.016 8.368 1.00 0.00 ? 4 DA A "C2'" 2 +ATOM 674 C "C1'" . DA A 1 4 ? 2.656 6.159 7.254 1.00 0.00 ? 4 DA A "C1'" 2 +ATOM 675 N N9 . DA A 1 4 ? 2.494 4.770 7.719 1.00 0.00 ? 4 DA A N9 2 +ATOM 676 C C8 . DA A 1 4 ? 3.461 3.837 8.006 1.00 0.00 ? 4 DA A C8 2 +ATOM 677 N N7 . DA A 1 4 ? 2.988 2.700 8.440 1.00 0.00 ? 4 DA A N7 2 +ATOM 678 C C5 . DA A 1 4 ? 1.605 2.915 8.463 1.00 0.00 ? 4 DA A C5 2 +ATOM 679 C C6 . DA A 1 4 ? 0.475 2.144 8.815 1.00 0.00 ? 4 DA A C6 2 +ATOM 680 N N6 . DA A 1 4 ? 0.538 0.897 9.230 1.00 0.00 ? 4 DA A N6 2 +ATOM 681 N N1 . DA A 1 4 ? -0.761 2.659 8.778 1.00 0.00 ? 4 DA A N1 2 +ATOM 682 C C2 . DA A 1 4 ? -0.895 3.917 8.374 1.00 0.00 ? 4 DA A C2 2 +ATOM 683 N N3 . DA A 1 4 ? 0.067 4.750 7.993 1.00 0.00 ? 4 DA A N3 2 +ATOM 684 C C4 . DA A 1 4 ? 1.303 4.185 8.058 1.00 0.00 ? 4 DA A C4 2 +ATOM 685 H "H5'" . DA A 1 4 ? 5.096 7.458 4.351 1.00 0.00 ? 4 DA A "H5'" 2 +ATOM 686 H "H5''" . DA A 1 4 ? 5.500 8.892 5.315 1.00 0.00 ? 4 DA A "H5''" 2 +ATOM 687 H "H4'" . DA A 1 4 ? 3.196 8.199 5.705 1.00 0.00 ? 4 DA A "H4'" 2 +ATOM 688 H "H3'" . DA A 1 4 ? 5.139 8.002 8.004 1.00 0.00 ? 4 DA A "H3'" 2 +ATOM 689 H "H2'" . DA A 1 4 ? 3.897 6.440 9.018 1.00 0.00 ? 4 DA A "H2'" 2 +ATOM 690 H "H2''" . DA A 1 4 ? 2.415 7.417 8.942 1.00 0.00 ? 4 DA A "H2''" 2 +ATOM 691 H "H1'" . DA A 1 4 ? 1.705 6.595 6.914 1.00 0.00 ? 4 DA A "H1'" 2 +ATOM 692 H H8 . DA A 1 4 ? 4.524 4.017 7.896 1.00 0.00 ? 4 DA A H8 2 +ATOM 693 H H61 . DA A 1 4 ? -0.337 0.433 9.419 1.00 0.00 ? 4 DA A H61 2 +ATOM 694 H H62 . DA A 1 4 ? 1.428 0.429 9.251 1.00 0.00 ? 4 DA A H62 2 +ATOM 695 H H2 . DA A 1 4 ? -1.900 4.307 8.350 1.00 0.00 ? 4 DA A H2 2 +ATOM 696 P P . DT A 1 5 ? 3.552 10.089 9.286 1.00 0.00 ? 5 DT A P 2 +ATOM 697 O OP1 . DT A 1 5 ? 3.417 11.543 9.057 1.00 0.00 ? 5 DT A OP1 2 +ATOM 698 O OP2 . DT A 1 5 ? 4.684 9.568 10.080 1.00 0.00 ? 5 DT A OP2 2 +ATOM 699 O "O5'" . DT A 1 5 ? 2.185 9.572 9.973 1.00 0.00 ? 5 DT A "O5'" 2 +ATOM 700 C "C5'" . DT A 1 5 ? 0.921 9.857 9.396 1.00 0.00 ? 5 DT A "C5'" 2 +ATOM 701 C "C4'" . DT A 1 5 ? -0.236 9.162 10.138 1.00 0.00 ? 5 DT A "C4'" 2 +ATOM 702 O "O4'" . DT A 1 5 ? -0.116 7.741 10.107 1.00 0.00 ? 5 DT A "O4'" 2 +ATOM 703 C "C3'" . DT A 1 5 ? -0.399 9.577 11.614 1.00 0.00 ? 5 DT A "C3'" 2 +ATOM 704 O "O3'" . DT A 1 5 ? -1.743 9.943 11.873 1.00 0.00 ? 5 DT A "O3'" 2 +ATOM 705 C "C2'" . DT A 1 5 ? -0.022 8.286 12.336 1.00 0.00 ? 5 DT A "C2'" 2 +ATOM 706 C "C1'" . DT A 1 5 ? -0.562 7.247 11.354 1.00 0.00 ? 5 DT A "C1'" 2 +ATOM 707 N N1 . DT A 1 5 ? -0.001 5.882 11.576 1.00 0.00 ? 5 DT A N1 2 +ATOM 708 C C2 . DT A 1 5 ? -0.913 4.838 11.747 1.00 0.00 ? 5 DT A C2 2 +ATOM 709 O O2 . DT A 1 5 ? -2.125 4.978 11.795 1.00 0.00 ? 5 DT A O2 2 +ATOM 710 N N3 . DT A 1 5 ? -0.401 3.576 11.889 1.00 0.00 ? 5 DT A N3 2 +ATOM 711 C C4 . DT A 1 5 ? 0.931 3.252 11.910 1.00 0.00 ? 5 DT A C4 2 +ATOM 712 O O4 . DT A 1 5 ? 1.241 2.092 12.150 1.00 0.00 ? 5 DT A O4 2 +ATOM 713 C C5 . DT A 1 5 ? 1.851 4.365 11.683 1.00 0.00 ? 5 DT A C5 2 +ATOM 714 C C7 . DT A 1 5 ? 3.365 4.144 11.649 1.00 0.00 ? 5 DT A C7 2 +ATOM 715 C C6 . DT A 1 5 ? 1.363 5.626 11.535 1.00 0.00 ? 5 DT A C6 2 +ATOM 716 H "H5'" . DT A 1 5 ? 0.901 9.518 8.357 1.00 0.00 ? 5 DT A "H5'" 2 +ATOM 717 H "H5''" . DT A 1 5 ? 0.746 10.935 9.410 1.00 0.00 ? 5 DT A "H5''" 2 +ATOM 718 H "H4'" . DT A 1 5 ? -1.151 9.420 9.600 1.00 0.00 ? 5 DT A "H4'" 2 +ATOM 719 H "H3'" . DT A 1 5 ? 0.286 10.392 11.862 1.00 0.00 ? 5 DT A "H3'" 2 +ATOM 720 H "H2'" . DT A 1 5 ? 1.061 8.266 12.435 1.00 0.00 ? 5 DT A "H2'" 2 +ATOM 721 H "H2''" . DT A 1 5 ? -0.479 8.190 13.319 1.00 0.00 ? 5 DT A "H2''" 2 +ATOM 722 H "H1'" . DT A 1 5 ? -1.661 7.288 11.368 1.00 0.00 ? 5 DT A "H1'" 2 +ATOM 723 H H3 . DT A 1 5 ? -1.077 2.840 12.057 1.00 0.00 ? 5 DT A H3 2 +ATOM 724 H H71 . DT A 1 5 ? 3.601 3.092 11.476 1.00 0.00 ? 5 DT A H71 2 +ATOM 725 H H72 . DT A 1 5 ? 3.828 4.720 10.846 1.00 0.00 ? 5 DT A H72 2 +ATOM 726 H H73 . DT A 1 5 ? 3.806 4.451 12.599 1.00 0.00 ? 5 DT A H73 2 +ATOM 727 H H6 . DT A 1 5 ? 2.088 6.418 11.393 1.00 0.00 ? 5 DT A H6 2 +ATOM 728 P P . DC A 1 6 ? -2.197 10.573 13.282 1.00 0.00 ? 6 DC A P 2 +ATOM 729 O OP1 . DC A 1 6 ? -3.350 11.464 13.037 1.00 0.00 ? 6 DC A OP1 2 +ATOM 730 O OP2 . DC A 1 6 ? -0.993 11.101 13.960 1.00 0.00 ? 6 DC A OP2 2 +ATOM 731 O "O5'" . DC A 1 6 ? -2.722 9.298 14.115 1.00 0.00 ? 6 DC A "O5'" 2 +ATOM 732 C "C5'" . DC A 1 6 ? -2.339 9.088 15.463 1.00 0.00 ? 6 DC A "C5'" 2 +ATOM 733 C "C4'" . DC A 1 6 ? -3.114 7.914 16.087 1.00 0.00 ? 6 DC A "C4'" 2 +ATOM 734 O "O4'" . DC A 1 6 ? -2.802 6.683 15.433 1.00 0.00 ? 6 DC A "O4'" 2 +ATOM 735 C "C3'" . DC A 1 6 ? -2.751 7.735 17.576 1.00 0.00 ? 6 DC A "C3'" 2 +ATOM 736 O "O3'" . DC A 1 6 ? -3.907 7.514 18.360 1.00 0.00 ? 6 DC A "O3'" 2 +ATOM 737 C "C2'" . DC A 1 6 ? -1.894 6.476 17.523 1.00 0.00 ? 6 DC A "C2'" 2 +ATOM 738 C "C1'" . DC A 1 6 ? -2.610 5.696 16.424 1.00 0.00 ? 6 DC A "C1'" 2 +ATOM 739 N N1 . DC A 1 6 ? -1.761 4.602 15.890 1.00 0.00 ? 6 DC A N1 2 +ATOM 740 C C2 . DC A 1 6 ? -2.189 3.281 16.026 1.00 0.00 ? 6 DC A C2 2 +ATOM 741 O O2 . DC A 1 6 ? -3.301 3.006 16.457 1.00 0.00 ? 6 DC A O2 2 +ATOM 742 N N3 . DC A 1 6 ? -1.367 2.254 15.686 1.00 0.00 ? 6 DC A N3 2 +ATOM 743 C C4 . DC A 1 6 ? -0.179 2.538 15.186 1.00 0.00 ? 6 DC A C4 2 +ATOM 744 N N4 . DC A 1 6 ? 0.559 1.519 14.855 1.00 0.00 ? 6 DC A N4 2 +ATOM 745 C C5 . DC A 1 6 ? 0.295 3.864 14.980 1.00 0.00 ? 6 DC A C5 2 +ATOM 746 C C6 . DC A 1 6 ? -0.533 4.872 15.338 1.00 0.00 ? 6 DC A C6 2 +ATOM 747 H "H5'" . DC A 1 6 ? -2.563 9.987 16.044 1.00 0.00 ? 6 DC A "H5'" 2 +ATOM 748 H "H5''" . DC A 1 6 ? -1.267 8.889 15.525 1.00 0.00 ? 6 DC A "H5''" 2 +ATOM 749 H "H4'" . DC A 1 6 ? -4.182 8.115 15.987 1.00 0.00 ? 6 DC A "H4'" 2 +ATOM 750 H "H3'" . DC A 1 6 ? -2.185 8.592 17.953 1.00 0.00 ? 6 DC A "H3'" 2 +ATOM 751 H "H2'" . DC A 1 6 ? -0.882 6.760 17.237 1.00 0.00 ? 6 DC A "H2'" 2 +ATOM 752 H "H2''" . DC A 1 6 ? -1.867 5.941 18.469 1.00 0.00 ? 6 DC A "H2''" 2 +ATOM 753 H "H1'" . DC A 1 6 ? -3.587 5.364 16.783 1.00 0.00 ? 6 DC A "H1'" 2 +ATOM 754 H H41 . DC A 1 6 ? 0.146 0.624 15.065 1.00 0.00 ? 6 DC A H41 2 +ATOM 755 H H42 . DC A 1 6 ? 1.299 1.644 14.185 1.00 0.00 ? 6 DC A H42 2 +ATOM 756 H H5 . DC A 1 6 ? 1.274 4.081 14.585 1.00 0.00 ? 6 DC A H5 2 +ATOM 757 H H6 . DC A 1 6 ? -0.217 5.899 15.198 1.00 0.00 ? 6 DC A H6 2 +ATOM 758 P P . DC A 1 7 ? -3.849 7.550 19.968 1.00 0.00 ? 7 DC A P 2 +ATOM 759 O OP1 . DC A 1 7 ? -4.772 8.605 20.435 1.00 0.00 ? 7 DC A OP1 2 +ATOM 760 O OP2 . DC A 1 7 ? -2.430 7.571 20.383 1.00 0.00 ? 7 DC A OP2 2 +ATOM 761 O "O5'" . DC A 1 7 ? -4.459 6.119 20.371 1.00 0.00 ? 7 DC A "O5'" 2 +ATOM 762 C "C5'" . DC A 1 7 ? -5.831 5.826 20.170 1.00 0.00 ? 7 DC A "C5'" 2 +ATOM 763 C "C4'" . DC A 1 7 ? -6.155 4.362 20.515 1.00 0.00 ? 7 DC A "C4'" 2 +ATOM 764 O "O4'" . DC A 1 7 ? -5.393 3.492 19.685 1.00 0.00 ? 7 DC A "O4'" 2 +ATOM 765 C "C3'" . DC A 1 7 ? -5.868 3.989 21.983 1.00 0.00 ? 7 DC A "C3'" 2 +ATOM 766 O "O3'" . DC A 1 7 ? -6.852 3.079 22.443 1.00 0.00 ? 7 DC A "O3'" 2 +ATOM 767 C "C2'" . DC A 1 7 ? -4.529 3.279 21.853 1.00 0.00 ? 7 DC A "C2'" 2 +ATOM 768 C "C1'" . DC A 1 7 ? -4.720 2.570 20.515 1.00 0.00 ? 7 DC A "C1'" 2 +ATOM 769 N N1 . DC A 1 7 ? -3.416 2.215 19.905 1.00 0.00 ? 7 DC A N1 2 +ATOM 770 C C2 . DC A 1 7 ? -3.102 0.871 19.752 1.00 0.00 ? 7 DC A C2 2 +ATOM 771 O O2 . DC A 1 7 ? -3.898 -0.004 20.055 1.00 0.00 ? 7 DC A O2 2 +ATOM 772 N N3 . DC A 1 7 ? -1.891 0.494 19.272 1.00 0.00 ? 7 DC A N3 2 +ATOM 773 C C4 . DC A 1 7 ? -1.037 1.432 18.907 1.00 0.00 ? 7 DC A C4 2 +ATOM 774 N N4 . DC A 1 7 ? 0.116 0.998 18.482 1.00 0.00 ? 7 DC A N4 2 +ATOM 775 C C5 . DC A 1 7 ? -1.296 2.827 19.039 1.00 0.00 ? 7 DC A C5 2 +ATOM 776 C C6 . DC A 1 7 ? -2.506 3.178 19.541 1.00 0.00 ? 7 DC A C6 2 +ATOM 777 H "H5'" . DC A 1 7 ? -6.098 5.994 19.124 1.00 0.00 ? 7 DC A "H5'" 2 +ATOM 778 H "H5''" . DC A 1 7 ? -6.446 6.478 20.793 1.00 0.00 ? 7 DC A "H5''" 2 +ATOM 779 H "H4'" . DC A 1 7 ? -7.215 4.206 20.305 1.00 0.00 ? 7 DC A "H4'" 2 +ATOM 780 H "H3'" . DC A 1 7 ? -5.803 4.889 22.600 1.00 0.00 ? 7 DC A "H3'" 2 +ATOM 781 H "H2'" . DC A 1 7 ? -3.734 4.024 21.817 1.00 0.00 ? 7 DC A "H2'" 2 +ATOM 782 H "H2''" . DC A 1 7 ? -4.341 2.572 22.660 1.00 0.00 ? 7 DC A "H2''" 2 +ATOM 783 H "H1'" . DC A 1 7 ? -5.392 1.722 20.661 1.00 0.00 ? 7 DC A "H1'" 2 +ATOM 784 H H41 . DC A 1 7 ? 0.213 -0.007 18.494 1.00 0.00 ? 7 DC A H41 2 +ATOM 785 H H42 . DC A 1 7 ? 0.825 1.628 18.164 1.00 0.00 ? 7 DC A H42 2 +ATOM 786 H H5 . DC A 1 7 ? -0.578 3.583 18.768 1.00 0.00 ? 7 DC A H5 2 +ATOM 787 H H6 . DC A 1 7 ? -2.760 4.222 19.668 1.00 0.00 ? 7 DC A H6 2 +ATOM 788 P P . DT A 1 8 ? -7.159 2.857 24.009 1.00 0.00 ? 8 DT A P 2 +ATOM 789 O OP1 . DT A 1 8 ? -8.515 2.280 24.109 1.00 0.00 ? 8 DT A OP1 2 +ATOM 790 O OP2 . DT A 1 8 ? -6.859 4.125 24.708 1.00 0.00 ? 8 DT A OP2 2 +ATOM 791 O "O5'" . DT A 1 8 ? -6.114 1.732 24.519 1.00 0.00 ? 8 DT A "O5'" 2 +ATOM 792 C "C5'" . DT A 1 8 ? -5.094 2.021 25.466 1.00 0.00 ? 8 DT A "C5'" 2 +ATOM 793 C "C4'" . DT A 1 8 ? -4.531 0.735 26.104 1.00 0.00 ? 8 DT A "C4'" 2 +ATOM 794 O "O4'" . DT A 1 8 ? -3.829 -0.100 25.178 1.00 0.00 ? 8 DT A "O4'" 2 +ATOM 795 C "C3'" . DT A 1 8 ? -3.547 1.040 27.255 1.00 0.00 ? 8 DT A "C3'" 2 +ATOM 796 O "O3'" . DT A 1 8 ? -3.903 0.466 28.501 1.00 0.00 ? 8 DT A "O3'" 2 +ATOM 797 C "C2'" . DT A 1 8 ? -2.265 0.406 26.728 1.00 0.00 ? 8 DT A "C2'" 2 +ATOM 798 C "C1'" . DT A 1 8 ? -2.806 -0.755 25.900 1.00 0.00 ? 8 DT A "C1'" 2 +ATOM 799 N N1 . DT A 1 8 ? -1.755 -1.322 24.980 1.00 0.00 ? 8 DT A N1 2 +ATOM 800 C C2 . DT A 1 8 ? -1.230 -2.558 25.370 1.00 0.00 ? 8 DT A C2 2 +ATOM 801 O O2 . DT A 1 8 ? -1.658 -3.229 26.295 1.00 0.00 ? 8 DT A O2 2 +ATOM 802 N N3 . DT A 1 8 ? -0.144 -3.038 24.687 1.00 0.00 ? 8 DT A N3 2 +ATOM 803 C C4 . DT A 1 8 ? 0.495 -2.398 23.662 1.00 0.00 ? 8 DT A C4 2 +ATOM 804 O O4 . DT A 1 8 ? 1.525 -2.903 23.235 1.00 0.00 ? 8 DT A O4 2 +ATOM 805 C C5 . DT A 1 8 ? -0.126 -1.148 23.219 1.00 0.00 ? 8 DT A C5 2 +ATOM 806 C C7 . DT A 1 8 ? 0.498 -0.310 22.102 1.00 0.00 ? 8 DT A C7 2 +ATOM 807 C C6 . DT A 1 8 ? -1.219 -0.654 23.866 1.00 0.00 ? 8 DT A C6 2 +ATOM 808 H "H5'" . DT A 1 8 ? -5.513 2.615 26.282 1.00 0.00 ? 8 DT A "H5'" 2 +ATOM 809 H "H5''" . DT A 1 8 ? -4.290 2.591 24.999 1.00 0.00 ? 8 DT A "H5''" 2 +ATOM 810 H "H4'" . DT A 1 8 ? -5.370 0.166 26.510 1.00 0.00 ? 8 DT A "H4'" 2 +ATOM 811 H "H3'" . DT A 1 8 ? -3.409 2.123 27.340 1.00 0.00 ? 8 DT A "H3'" 2 +ATOM 812 H "H2'" . DT A 1 8 ? -1.706 1.157 26.176 1.00 0.00 ? 8 DT A "H2'" 2 +ATOM 813 H "H2''" . DT A 1 8 ? -1.657 0.016 27.530 1.00 0.00 ? 8 DT A "H2''" 2 +ATOM 814 H "H1'" . DT A 1 8 ? -3.263 -1.489 26.610 1.00 0.00 ? 8 DT A "H1'" 2 +ATOM 815 H H3 . DT A 1 8 ? 0.227 -3.938 24.964 1.00 0.00 ? 8 DT A H3 2 +ATOM 816 H H71 . DT A 1 8 ? -0.251 -0.060 21.350 1.00 0.00 ? 8 DT A H71 2 +ATOM 817 H H72 . DT A 1 8 ? 0.899 0.618 22.513 1.00 0.00 ? 8 DT A H72 2 +ATOM 818 H H73 . DT A 1 8 ? 1.314 -0.843 21.609 1.00 0.00 ? 8 DT A H73 2 +ATOM 819 H H6 . DT A 1 8 ? -1.610 0.263 23.408 1.00 0.00 ? 8 DT A H6 2 +ATOM 820 P P . DT A 1 9 ? -3.464 1.198 29.871 1.00 0.00 ? 9 DT A P 2 +ATOM 821 O OP1 . DT A 1 9 ? -4.342 2.379 30.007 1.00 0.00 ? 9 DT A OP1 2 +ATOM 822 O OP2 . DT A 1 9 ? -1.994 1.413 29.816 1.00 0.00 ? 9 DT A OP2 2 +ATOM 823 O "O5'" . DT A 1 9 ? -3.853 0.180 31.085 1.00 0.00 ? 9 DT A "O5'" 2 +ATOM 824 C "C5'" . DT A 1 9 ? -2.905 -0.616 31.796 1.00 0.00 ? 9 DT A "C5'" 2 +ATOM 825 C "C4'" . DT A 1 9 ? -2.531 -1.935 31.090 1.00 0.00 ? 9 DT A "C4'" 2 +ATOM 826 O "O4'" . DT A 1 9 ? -2.091 -1.628 29.782 1.00 0.00 ? 9 DT A "O4'" 2 +ATOM 827 C "C3'" . DT A 1 9 ? -1.385 -2.702 31.778 1.00 0.00 ? 9 DT A "C3'" 2 +ATOM 828 O "O3'" . DT A 1 9 ? -1.809 -3.745 32.639 1.00 0.00 ? 9 DT A "O3'" 2 +ATOM 829 C "C2'" . DT A 1 9 ? -0.600 -3.259 30.589 1.00 0.00 ? 9 DT A "C2'" 2 +ATOM 830 C "C1'" . DT A 1 9 ? -1.045 -2.474 29.367 1.00 0.00 ? 9 DT A "C1'" 2 +ATOM 831 N N1 . DT A 1 9 ? 0.093 -1.567 28.879 1.00 0.00 ? 9 DT A N1 2 +ATOM 832 C C2 . DT A 1 9 ? 0.217 -0.403 29.646 1.00 0.00 ? 9 DT A C2 2 +ATOM 833 O O2 . DT A 1 9 ? 0.207 -0.371 30.865 1.00 0.00 ? 9 DT A O2 2 +ATOM 834 N N3 . DT A 1 9 ? 0.412 0.758 28.964 1.00 0.00 ? 9 DT A N3 2 +ATOM 835 C C4 . DT A 1 9 ? 0.836 0.812 27.662 1.00 0.00 ? 9 DT A C4 2 +ATOM 836 O O4 . DT A 1 9 ? 0.809 1.882 27.067 1.00 0.00 ? 9 DT A O4 2 +ATOM 837 C C5 . DT A 1 9 ? 1.301 -0.475 27.131 1.00 0.00 ? 9 DT A C5 2 +ATOM 838 C C7 . DT A 1 9 ? 2.218 -0.507 25.908 1.00 0.00 ? 9 DT A C7 2 +ATOM 839 C C6 . DT A 1 9 ? 0.904 -1.641 27.727 1.00 0.00 ? 9 DT A C6 2 +ATOM 840 H "H5'" . DT A 1 9 ? -3.364 -0.887 32.748 1.00 0.00 ? 9 DT A "H5'" 2 +ATOM 841 H "H5''" . DT A 1 9 ? -2.019 -0.024 32.026 1.00 0.00 ? 9 DT A "H5''" 2 +ATOM 842 H "H4'" . DT A 1 9 ? -3.407 -2.582 31.011 1.00 0.00 ? 9 DT A "H4'" 2 +ATOM 843 H "H3'" . DT A 1 9 ? -0.771 -1.996 32.340 1.00 0.00 ? 9 DT A "H3'" 2 +ATOM 844 H "H2'" . DT A 1 9 ? 0.463 -3.149 30.772 1.00 0.00 ? 9 DT A "H2'" 2 +ATOM 845 H "H2''" . DT A 1 9 ? -0.822 -4.309 30.404 1.00 0.00 ? 9 DT A "H2''" 2 +ATOM 846 H "H1'" . DT A 1 9 ? -1.749 -3.106 28.776 1.00 0.00 ? 9 DT A "H1'" 2 +ATOM 847 H H3 . DT A 1 9 ? -0.324 1.401 29.274 1.00 0.00 ? 9 DT A H3 2 +ATOM 848 H H71 . DT A 1 9 ? 1.759 0.043 25.084 1.00 0.00 ? 9 DT A H71 2 +ATOM 849 H H72 . DT A 1 9 ? 3.163 -0.024 26.157 1.00 0.00 ? 9 DT A H72 2 +ATOM 850 H H73 . DT A 1 9 ? 2.439 -1.519 25.571 1.00 0.00 ? 9 DT A H73 2 +ATOM 851 H H6 . DT A 1 9 ? 1.492 -2.501 27.358 1.00 0.00 ? 9 DT A H6 2 +ATOM 852 P P . DU A 1 10 B -0.742 -4.554 33.547 1.00 0.00 ? 1 DU A P 2 +ATOM 853 O OP1 . DU A 1 10 B -1.467 -5.528 34.388 1.00 0.00 ? 1 DU A OP1 2 +ATOM 854 O OP2 . DU A 1 10 B 0.169 -3.574 34.176 1.00 0.00 ? 1 DU A OP2 2 +ATOM 855 O "O5'" . DU A 1 10 B 0.115 -5.384 32.467 1.00 0.00 ? 1 DU A "O5'" 2 +ATOM 856 C "C5'" . DU A 1 10 B 1.479 -5.714 32.671 1.00 0.00 ? 1 DU A "C5'" 2 +ATOM 857 C "C4'" . DU A 1 10 B 2.122 -6.031 31.308 1.00 0.00 ? 1 DU A "C4'" 2 +ATOM 858 O "O4'" . DU A 1 10 B 2.028 -4.905 30.416 1.00 0.00 ? 1 DU A "O4'" 2 +ATOM 859 C "C3'" . DU A 1 10 B 3.606 -6.419 31.332 1.00 0.00 ? 1 DU A "C3'" 2 +ATOM 860 O "O3'" . DU A 1 10 B 3.826 -7.476 30.392 1.00 0.00 ? 1 DU A "O3'" 2 +ATOM 861 C "C2'" . DU A 1 10 B 4.300 -5.095 30.969 1.00 0.00 ? 1 DU A "C2'" 2 +ATOM 862 C "C1'" . DU A 1 10 B 3.305 -4.389 30.059 1.00 0.00 ? 1 DU A "C1'" 2 +ATOM 863 N N1 . DU A 1 10 B 3.346 -2.931 30.216 1.00 0.00 ? 1 DU A N1 2 +ATOM 864 C C2 . DU A 1 10 B 3.737 -2.081 29.246 1.00 0.00 ? 1 DU A C2 2 +ATOM 865 O O2 . DU A 1 10 B 4.031 -2.440 28.117 1.00 0.00 ? 1 DU A O2 2 +ATOM 866 N N3 . DU A 1 10 B 3.826 -0.732 29.488 1.00 0.00 ? 1 DU A N3 2 +ATOM 867 C C4 . DU A 1 10 B 3.544 -0.122 30.682 1.00 0.00 ? 1 DU A C4 2 +ATOM 868 O O4 . DU A 1 10 B 3.754 1.078 30.787 1.00 0.00 ? 1 DU A O4 2 +ATOM 869 C C5 . DU A 1 10 B 3.036 -1.003 31.715 1.00 0.00 ? 1 DU A C5 2 +ATOM 870 C C6 . DU A 1 10 B 2.919 -2.344 31.504 1.00 0.00 ? 1 DU A C6 2 +ATOM 871 H "H5'" . DU A 1 10 B 1.540 -6.594 33.313 1.00 0.00 ? 1 DU A "H5'" 2 +ATOM 872 H "H5''" . DU A 1 10 B 2.035 -4.903 33.140 1.00 0.00 ? 1 DU A "H5''" 2 +ATOM 873 H "H4'" . DU A 1 10 B 1.538 -6.846 30.856 1.00 0.00 ? 1 DU A "H4'" 2 +ATOM 874 H "H3'" . DU A 1 10 B 3.881 -6.741 32.350 1.00 0.00 ? 1 DU A "H3'" 2 +ATOM 875 H "H2'" . DU A 1 10 B 4.501 -4.516 31.868 1.00 0.00 ? 1 DU A "H2'" 2 +ATOM 876 H "H2''" . DU A 1 10 B 5.254 -5.243 30.447 1.00 0.00 ? 1 DU A "H2''" 2 +ATOM 877 H "H1'" . DU A 1 10 B 3.485 -4.699 29.020 1.00 0.00 ? 1 DU A "H1'" 2 +ATOM 878 H H3 . DU A 1 10 B 4.139 -0.152 28.735 1.00 0.00 ? 1 DU A H3 2 +ATOM 879 H H5 . DU A 1 10 B 2.736 -0.553 32.652 1.00 0.00 ? 1 DU A H5 2 +ATOM 880 H H6 . DU A 1 10 B 2.482 -2.970 32.273 1.00 0.00 ? 1 DU A H6 2 +ATOM 881 P P . DT A 1 11 B 5.334 -8.051 30.427 1.00 0.00 ? 2 DT A P 2 +ATOM 882 O OP1 . DT A 1 11 B 5.670 -8.345 31.837 1.00 0.00 ? 2 DT A OP1 2 +ATOM 883 O OP2 . DT A 1 11 B 6.208 -7.151 29.641 1.00 0.00 ? 2 DT A OP2 2 +ATOM 884 O "O5'" . DT A 1 11 B 5.225 -9.455 29.641 1.00 0.00 ? 2 DT A "O5'" 2 +ATOM 885 C "C5'" . DT A 1 11 B 5.083 -9.530 28.230 1.00 0.00 ? 2 DT A "C5'" 2 +ATOM 886 C "C4'" . DT A 1 11 B 3.637 -9.323 27.728 1.00 0.00 ? 2 DT A "C4'" 2 +ATOM 887 O "O4'" . DT A 1 11 B 3.231 -7.959 27.850 1.00 0.00 ? 2 DT A "O4'" 2 +ATOM 888 C "C3'" . DT A 1 11 B 3.547 -9.683 26.235 1.00 0.00 ? 2 DT A "C3'" 2 +ATOM 889 O "O3'" . DT A 1 11 B 2.288 -10.254 25.950 1.00 0.00 ? 2 DT A "O3'" 2 +ATOM 890 C "C2'" . DT A 1 11 B 3.694 -8.304 25.611 1.00 0.00 ? 2 DT A "C2'" 2 +ATOM 891 C "C1'" . DT A 1 11 B 2.904 -7.432 26.580 1.00 0.00 ? 2 DT A "C1'" 2 +ATOM 892 N N1 . DT A 1 11 B 3.361 -6.025 26.443 1.00 0.00 ? 2 DT A N1 2 +ATOM 893 C C2 . DT A 1 11 B 2.629 -5.197 25.593 1.00 0.00 ? 2 DT A C2 2 +ATOM 894 O O2 . DT A 1 11 B 1.461 -5.375 25.275 1.00 0.00 ? 2 DT A O2 2 +ATOM 895 N N3 . DT A 1 11 B 3.270 -4.090 25.107 1.00 0.00 ? 2 DT A N3 2 +ATOM 896 C C4 . DT A 1 11 B 4.535 -3.679 25.450 1.00 0.00 ? 2 DT A C4 2 +ATOM 897 O O4 . DT A 1 11 B 4.985 -2.685 24.896 1.00 0.00 ? 2 DT A O4 2 +ATOM 898 C C5 . DT A 1 11 B 5.209 -4.508 26.454 1.00 0.00 ? 2 DT A C5 2 +ATOM 899 C C7 . DT A 1 11 B 6.591 -4.136 26.993 1.00 0.00 ? 2 DT A C7 2 +ATOM 900 C C6 . DT A 1 11 B 4.603 -5.636 26.914 1.00 0.00 ? 2 DT A C6 2 +ATOM 901 H "H5'" . DT A 1 11 B 5.375 -10.549 27.972 1.00 0.00 ? 2 DT A "H5'" 2 +ATOM 902 H "H5''" . DT A 1 11 B 5.772 -8.855 27.719 1.00 0.00 ? 2 DT A "H5''" 2 +ATOM 903 H "H4'" . DT A 1 11 B 2.973 -9.964 28.311 1.00 0.00 ? 2 DT A "H4'" 2 +ATOM 904 H "H3'" . DT A 1 11 B 4.353 -10.357 25.933 1.00 0.00 ? 2 DT A "H3'" 2 +ATOM 905 H "H2'" . DT A 1 11 B 4.753 -8.047 25.592 1.00 0.00 ? 2 DT A "H2'" 2 +ATOM 906 H "H2''" . DT A 1 11 B 3.303 -8.229 24.609 1.00 0.00 ? 2 DT A "H2''" 2 +ATOM 907 H "H1'" . DT A 1 11 B 1.828 -7.567 26.413 1.00 0.00 ? 2 DT A "H1'" 2 +ATOM 908 H H3 . DT A 1 11 B 2.785 -3.569 24.392 1.00 0.00 ? 2 DT A H3 2 +ATOM 909 H H71 . DT A 1 11 B 7.361 -4.512 26.318 1.00 0.00 ? 2 DT A H71 2 +ATOM 910 H H72 . DT A 1 11 B 6.685 -3.050 27.067 1.00 0.00 ? 2 DT A H72 2 +ATOM 911 H H73 . DT A 1 11 B 6.759 -4.560 27.987 1.00 0.00 ? 2 DT A H73 2 +ATOM 912 H H6 . DT A 1 11 B 5.110 -6.232 27.666 1.00 0.00 ? 2 DT A H6 2 +ATOM 913 P P . DG A 1 12 B 1.951 -10.886 24.509 1.00 0.00 ? 3 DG A P 2 +ATOM 914 O OP1 . DG A 1 12 B 1.149 -12.106 24.735 1.00 0.00 ? 3 DG A OP1 2 +ATOM 915 O OP2 . DG A 1 12 B 3.207 -10.961 23.732 1.00 0.00 ? 3 DG A OP2 2 +ATOM 916 O "O5'" . DG A 1 12 B 1.001 -9.774 23.839 1.00 0.00 ? 3 DG A "O5'" 2 +ATOM 917 C "C5'" . DG A 1 12 B -0.184 -9.348 24.490 1.00 0.00 ? 3 DG A "C5'" 2 +ATOM 918 C "C4'" . DG A 1 12 B -1.023 -8.395 23.626 1.00 0.00 ? 3 DG A "C4'" 2 +ATOM 919 O "O4'" . DG A 1 12 B -0.299 -7.233 23.204 1.00 0.00 ? 3 DG A "O4'" 2 +ATOM 920 C "C3'" . DG A 1 12 B -1.636 -9.051 22.363 1.00 0.00 ? 3 DG A "C3'" 2 +ATOM 921 O "O3'" . DG A 1 12 B -3.040 -8.849 22.328 1.00 0.00 ? 3 DG A "O3'" 2 +ATOM 922 C "C2'" . DG A 1 12 B -0.941 -8.237 21.274 1.00 0.00 ? 3 DG A "C2'" 2 +ATOM 923 C "C1'" . DG A 1 12 B -0.872 -6.878 21.967 1.00 0.00 ? 3 DG A "C1'" 2 +ATOM 924 N N9 . DG A 1 12 B -0.167 -5.800 21.226 1.00 0.00 ? 3 DG A N9 2 +ATOM 925 C C8 . DG A 1 12 B 1.102 -5.736 20.705 1.00 0.00 ? 3 DG A C8 2 +ATOM 926 N N7 . DG A 1 12 B 1.389 -4.611 20.107 1.00 0.00 ? 3 DG A N7 2 +ATOM 927 C C5 . DG A 1 12 B 0.214 -3.864 20.225 1.00 0.00 ? 3 DG A C5 2 +ATOM 928 C C6 . DG A 1 12 B -0.159 -2.555 19.758 1.00 0.00 ? 3 DG A C6 2 +ATOM 929 O O6 . DG A 1 12 B 0.506 -1.730 19.142 1.00 0.00 ? 3 DG A O6 2 +ATOM 930 N N1 . DG A 1 12 B -1.458 -2.195 20.063 1.00 0.00 ? 3 DG A N1 2 +ATOM 931 C C2 . DG A 1 12 B -2.319 -3.011 20.715 1.00 0.00 ? 3 DG A C2 2 +ATOM 932 N N2 . DG A 1 12 B -3.571 -2.667 20.719 1.00 0.00 ? 3 DG A N2 2 +ATOM 933 N N3 . DG A 1 12 B -2.023 -4.232 21.135 1.00 0.00 ? 3 DG A N3 2 +ATOM 934 C C4 . DG A 1 12 B -0.739 -4.600 20.887 1.00 0.00 ? 3 DG A C4 2 +ATOM 935 H "H5'" . DG A 1 12 B 0.074 -8.828 25.415 1.00 0.00 ? 3 DG A "H5'" 2 +ATOM 936 H "H5''" . DG A 1 12 B -0.808 -10.208 24.744 1.00 0.00 ? 3 DG A "H5''" 2 +ATOM 937 H "H4'" . DG A 1 12 B -1.843 -8.049 24.260 1.00 0.00 ? 3 DG A "H4'" 2 +ATOM 938 H "H3'" . DG A 1 12 B -1.385 -10.113 22.300 1.00 0.00 ? 3 DG A "H3'" 2 +ATOM 939 H "H2'" . DG A 1 12 B 0.008 -8.715 21.077 1.00 0.00 ? 3 DG A "H2'" 2 +ATOM 940 H "H2''" . DG A 1 12 B -1.464 -8.185 20.337 1.00 0.00 ? 3 DG A "H2''" 2 +ATOM 941 H "H1'" . DG A 1 12 B -1.884 -6.532 22.181 1.00 0.00 ? 3 DG A "H1'" 2 +ATOM 942 H H8 . DG A 1 12 B 1.823 -6.529 20.745 1.00 0.00 ? 3 DG A H8 2 +ATOM 943 H H1 . DG A 1 12 B -1.759 -1.283 19.742 1.00 0.00 ? 3 DG A H1 2 +ATOM 944 H H21 . DG A 1 12 B -3.858 -1.799 20.297 1.00 0.00 ? 3 DG A H21 2 +ATOM 945 H H22 . DG A 1 12 B -4.190 -3.452 20.839 1.00 0.00 ? 3 DG A H22 2 +ATOM 946 P P . DG A 1 13 B -3.982 -9.554 21.224 1.00 0.00 ? 4 DG A P 2 +ATOM 947 O OP1 . DG A 1 13 B -4.874 -10.500 21.926 1.00 0.00 ? 4 DG A OP1 2 +ATOM 948 O OP2 . DG A 1 13 B -3.132 -10.032 20.113 1.00 0.00 ? 4 DG A OP2 2 +ATOM 949 O "O5'" . DG A 1 13 B -4.874 -8.327 20.671 1.00 0.00 ? 4 DG A "O5'" 2 +ATOM 950 C "C5'" . DG A 1 13 B -4.262 -7.168 20.136 1.00 0.00 ? 4 DG A "C5'" 2 +ATOM 951 C "C4'" . DG A 1 13 B -5.290 -6.133 19.646 1.00 0.00 ? 4 DG A "C4'" 2 +ATOM 952 O "O4'" . DG A 1 13 B -4.584 -4.915 19.427 1.00 0.00 ? 4 DG A "O4'" 2 +ATOM 953 C "C3'" . DG A 1 13 B -5.944 -6.508 18.305 1.00 0.00 ? 4 DG A "C3'" 2 +ATOM 954 O "O3'" . DG A 1 13 B -7.192 -5.845 18.177 1.00 0.00 ? 4 DG A "O3'" 2 +ATOM 955 C "C2'" . DG A 1 13 B -4.921 -5.915 17.346 1.00 0.00 ? 4 DG A "C2'" 2 +ATOM 956 C "C1'" . DG A 1 13 B -4.616 -4.590 18.050 1.00 0.00 ? 4 DG A "C1'" 2 +ATOM 957 N N9 . DG A 1 13 B -3.328 -3.990 17.634 1.00 0.00 ? 4 DG A N9 2 +ATOM 958 C C8 . DG A 1 13 B -2.082 -4.562 17.544 1.00 0.00 ? 4 DG A C8 2 +ATOM 959 N N7 . DG A 1 13 B -1.168 -3.779 17.040 1.00 0.00 ? 4 DG A N7 2 +ATOM 960 C C5 . DG A 1 13 B -1.848 -2.579 16.806 1.00 0.00 ? 4 DG A C5 2 +ATOM 961 C C6 . DG A 1 13 B -1.418 -1.302 16.300 1.00 0.00 ? 4 DG A C6 2 +ATOM 962 O O6 . DG A 1 13 B -0.322 -0.970 15.866 1.00 0.00 ? 4 DG A O6 2 +ATOM 963 N N1 . DG A 1 13 B -2.396 -0.326 16.312 1.00 0.00 ? 4 DG A N1 2 +ATOM 964 C C2 . DG A 1 13 B -3.654 -0.551 16.754 1.00 0.00 ? 4 DG A C2 2 +ATOM 965 N N2 . DG A 1 13 B -4.482 0.453 16.695 1.00 0.00 ? 4 DG A N2 2 +ATOM 966 N N3 . DG A 1 13 B -4.106 -1.723 17.184 1.00 0.00 ? 4 DG A N3 2 +ATOM 967 C C4 . DG A 1 13 B -3.160 -2.700 17.195 1.00 0.00 ? 4 DG A C4 2 +ATOM 968 H "H5'" . DG A 1 13 B -3.580 -7.432 19.327 1.00 0.00 ? 4 DG A "H5'" 2 +ATOM 969 H "H5''" . DG A 1 13 B -3.689 -6.693 20.931 1.00 0.00 ? 4 DG A "H5''" 2 +ATOM 970 H "H4'" . DG A 1 13 B -6.046 -5.994 20.420 1.00 0.00 ? 4 DG A "H4'" 2 +ATOM 971 H "H3'" . DG A 1 13 B -6.055 -7.590 18.193 1.00 0.00 ? 4 DG A "H3'" 2 +ATOM 972 H "H2'" . DG A 1 13 B -4.053 -6.569 17.297 1.00 0.00 ? 4 DG A "H2'" 2 +ATOM 973 H "H2''" . DG A 1 13 B -5.326 -5.798 16.347 1.00 0.00 ? 4 DG A "H2''" 2 +ATOM 974 H "H1'" . DG A 1 13 B -5.442 -3.897 17.880 1.00 0.00 ? 4 DG A "H1'" 2 +ATOM 975 H H8 . DG A 1 13 B -1.848 -5.572 17.849 1.00 0.00 ? 4 DG A H8 2 +ATOM 976 H H1 . DG A 1 13 B -2.111 0.611 16.054 1.00 0.00 ? 4 DG A H1 2 +ATOM 977 H H21 . DG A 1 13 B -4.168 1.373 16.424 1.00 0.00 ? 4 DG A H21 2 +ATOM 978 H H22 . DG A 1 13 B -5.423 0.241 16.973 1.00 0.00 ? 4 DG A H22 2 +ATOM 979 P P . DA A 1 14 B -8.083 -5.941 16.837 1.00 0.00 ? 5 DA A P 2 +ATOM 980 O OP1 . DA A 1 14 B -9.504 -5.853 17.232 1.00 0.00 ? 5 DA A OP1 2 +ATOM 981 O OP2 . DA A 1 14 B -7.609 -7.101 16.054 1.00 0.00 ? 5 DA A OP2 2 +ATOM 982 O "O5'" . DA A 1 14 B -7.703 -4.593 16.021 1.00 0.00 ? 5 DA A "O5'" 2 +ATOM 983 C "C5'" . DA A 1 14 B -8.181 -3.322 16.440 1.00 0.00 ? 5 DA A "C5'" 2 +ATOM 984 C "C4'" . DA A 1 14 B -7.882 -2.187 15.440 1.00 0.00 ? 5 DA A "C4'" 2 +ATOM 985 O "O4'" . DA A 1 14 B -6.500 -1.836 15.363 1.00 0.00 ? 5 DA A "O4'" 2 +ATOM 986 C "C3'" . DA A 1 14 B -8.361 -2.447 13.995 1.00 0.00 ? 5 DA A "C3'" 2 +ATOM 987 O "O3'" . DA A 1 14 B -9.226 -1.419 13.547 1.00 0.00 ? 5 DA A "O3'" 2 +ATOM 988 C "C2'" . DA A 1 14 B -7.037 -2.413 13.241 1.00 0.00 ? 5 DA A "C2'" 2 +ATOM 989 C "C1'" . DA A 1 14 B -6.268 -1.371 14.049 1.00 0.00 ? 5 DA A "C1'" 2 +ATOM 990 N N9 . DA A 1 14 B -4.821 -1.378 13.726 1.00 0.00 ? 5 DA A N9 2 +ATOM 991 C C8 . DA A 1 14 B -3.946 -2.439 13.712 1.00 0.00 ? 5 DA A C8 2 +ATOM 992 N N7 . DA A 1 14 B -2.726 -2.133 13.371 1.00 0.00 ? 5 DA A N7 2 +ATOM 993 C C5 . DA A 1 14 B -2.799 -0.757 13.145 1.00 0.00 ? 5 DA A C5 2 +ATOM 994 C C6 . DA A 1 14 B -1.875 0.230 12.744 1.00 0.00 ? 5 DA A C6 2 +ATOM 995 N N6 . DA A 1 14 B -0.615 -0.029 12.461 1.00 0.00 ? 5 DA A N6 2 +ATOM 996 N N1 . DA A 1 14 B -2.239 1.509 12.589 1.00 0.00 ? 5 DA A N1 2 +ATOM 997 C C2 . DA A 1 14 B -3.506 1.822 12.842 1.00 0.00 ? 5 DA A C2 2 +ATOM 998 N N3 . DA A 1 14 B -4.484 1.002 13.223 1.00 0.00 ? 5 DA A N3 2 +ATOM 999 C C4 . DA A 1 14 B -4.067 -0.287 13.361 1.00 0.00 ? 5 DA A C4 2 +ATOM 1000 H "H5'" . DA A 1 14 B -7.747 -3.064 17.408 1.00 0.00 ? 5 DA A "H5'" 2 +ATOM 1001 H "H5''" . DA A 1 14 B -9.267 -3.363 16.552 1.00 0.00 ? 5 DA A "H5''" 2 +ATOM 1002 H "H4'" . DA A 1 14 B -8.401 -1.302 15.817 1.00 0.00 ? 5 DA A "H4'" 2 +ATOM 1003 H "H3'" . DA A 1 14 B -8.829 -3.430 13.908 1.00 0.00 ? 5 DA A "H3'" 2 +ATOM 1004 H "H2'" . DA A 1 14 B -6.594 -3.405 13.306 1.00 0.00 ? 5 DA A "H2'" 2 +ATOM 1005 H "H2''" . DA A 1 14 B -7.154 -2.133 12.199 1.00 0.00 ? 5 DA A "H2''" 2 +ATOM 1006 H "H1'" . DA A 1 14 B -6.710 -0.373 13.941 1.00 0.00 ? 5 DA A "H1'" 2 +ATOM 1007 H H8 . DA A 1 14 B -4.210 -3.458 13.937 1.00 0.00 ? 5 DA A H8 2 +ATOM 1008 H H61 . DA A 1 14 B -0.030 0.744 12.190 1.00 0.00 ? 5 DA A H61 2 +ATOM 1009 H H62 . DA A 1 14 B -0.278 -0.971 12.560 1.00 0.00 ? 5 DA A H62 2 +ATOM 1010 H H2 . DA A 1 14 B -3.777 2.858 12.714 1.00 0.00 ? 5 DA A H2 2 +ATOM 1011 P P . DT A 1 15 B -9.960 -1.488 12.112 1.00 0.00 ? 6 DT A P 2 +ATOM 1012 O OP1 . DT A 1 15 B -11.389 -1.171 12.316 1.00 0.00 ? 6 DT A OP1 2 +ATOM 1013 O OP2 . DT A 1 15 B -9.570 -2.746 11.440 1.00 0.00 ? 6 DT A OP2 2 +ATOM 1014 O "O5'" . DT A 1 15 B -9.285 -0.267 11.306 1.00 0.00 ? 6 DT A "O5'" 2 +ATOM 1015 C "C5'" . DT A 1 15 B -9.545 1.077 11.676 1.00 0.00 ? 6 DT A "C5'" 2 +ATOM 1016 C "C4'" . DT A 1 15 B -8.795 2.086 10.790 1.00 0.00 ? 6 DT A "C4'" 2 +ATOM 1017 O "O4'" . DT A 1 15 B -7.387 1.903 10.889 1.00 0.00 ? 6 DT A "O4'" 2 +ATOM 1018 C "C3'" . DT A 1 15 B -9.170 2.042 9.295 1.00 0.00 ? 6 DT A "C3'" 2 +ATOM 1019 O "O3'" . DT A 1 15 B -9.470 3.337 8.811 1.00 0.00 ? 6 DT A "O3'" 2 +ATOM 1020 C "C2'" . DT A 1 15 B -7.897 1.472 8.676 1.00 0.00 ? 6 DT A "C2'" 2 +ATOM 1021 C "C1'" . DT A 1 15 B -6.824 2.051 9.604 1.00 0.00 ? 6 DT A "C1'" 2 +ATOM 1022 N N1 . DT A 1 15 B -5.540 1.280 9.590 1.00 0.00 ? 6 DT A N1 2 +ATOM 1023 C C2 . DT A 1 15 B -4.371 2.012 9.370 1.00 0.00 ? 6 DT A C2 2 +ATOM 1024 O O2 . DT A 1 15 B -4.333 3.212 9.147 1.00 0.00 ? 6 DT A O2 2 +ATOM 1025 N N3 . DT A 1 15 B -3.188 1.323 9.384 1.00 0.00 ? 6 DT A N3 2 +ATOM 1026 C C4 . DT A 1 15 B -3.045 -0.020 9.604 1.00 0.00 ? 6 DT A C4 2 +ATOM 1027 O O4 . DT A 1 15 B -1.921 -0.498 9.544 1.00 0.00 ? 6 DT A O4 2 +ATOM 1028 C C5 . DT A 1 15 B -4.281 -0.743 9.883 1.00 0.00 ? 6 DT A C5 2 +ATOM 1029 C C7 . DT A 1 15 B -4.267 -2.248 10.163 1.00 0.00 ? 6 DT A C7 2 +ATOM 1030 C C6 . DT A 1 15 B -5.471 -0.085 9.868 1.00 0.00 ? 6 DT A C6 2 +ATOM 1031 H "H5'" . DT A 1 15 B -9.237 1.239 12.712 1.00 0.00 ? 6 DT A "H5'" 2 +ATOM 1032 H "H5''" . DT A 1 15 B -10.615 1.285 11.598 1.00 0.00 ? 6 DT A "H5''" 2 +ATOM 1033 H "H4'" . DT A 1 15 B -9.024 3.081 11.177 1.00 0.00 ? 6 DT A "H4'" 2 +ATOM 1034 H "H3'" . DT A 1 15 B -10.020 1.371 9.141 1.00 0.00 ? 6 DT A "H3'" 2 +ATOM 1035 H "H2'" . DT A 1 15 B -7.986 0.391 8.699 1.00 0.00 ? 6 DT A "H2'" 2 +ATOM 1036 H "H2''" . DT A 1 15 B -7.747 1.790 7.646 1.00 0.00 ? 6 DT A "H2''" 2 +ATOM 1037 H "H1'" . DT A 1 15 B -6.725 3.130 9.391 1.00 0.00 ? 6 DT A "H1'" 2 +ATOM 1038 H H3 . DT A 1 15 B -2.344 1.857 9.218 1.00 0.00 ? 6 DT A H3 2 +ATOM 1039 H H71 . DT A 1 15 B -4.457 -2.795 9.238 1.00 0.00 ? 6 DT A H71 2 +ATOM 1040 H H72 . DT A 1 15 B -3.298 -2.561 10.559 1.00 0.00 ? 6 DT A H72 2 +ATOM 1041 H H73 . DT A 1 15 B -5.031 -2.524 10.892 1.00 0.00 ? 6 DT A H73 2 +ATOM 1042 H H6 . DT A 1 15 B -6.338 -0.696 10.098 1.00 0.00 ? 6 DT A H6 2 +ATOM 1043 P P . DC A 1 16 B -10.028 3.574 7.318 1.00 0.00 ? 7 DC A P 2 +ATOM 1044 O OP1 . DC A 1 16 B -10.867 4.792 7.330 1.00 0.00 ? 7 DC A OP1 2 +ATOM 1045 O OP2 . DC A 1 16 B -10.583 2.299 6.815 1.00 0.00 ? 7 DC A OP2 2 +ATOM 1046 O "O5'" . DC A 1 16 B -8.683 3.897 6.502 1.00 0.00 ? 7 DC A "O5'" 2 +ATOM 1047 C "C5'" . DC A 1 16 B -8.016 5.136 6.670 1.00 0.00 ? 7 DC A "C5'" 2 +ATOM 1048 C "C4'" . DC A 1 16 B -6.616 5.124 6.041 1.00 0.00 ? 7 DC A "C4'" 2 +ATOM 1049 O "O4'" . DC A 1 16 B -5.806 4.106 6.610 1.00 0.00 ? 7 DC A "O4'" 2 +ATOM 1050 C "C3'" . DC A 1 16 B -6.579 4.877 4.524 1.00 0.00 ? 7 DC A "C3'" 2 +ATOM 1051 O "O3'" . DC A 1 16 B -6.536 6.107 3.826 1.00 0.00 ? 7 DC A "O3'" 2 +ATOM 1052 C "C2'" . DC A 1 16 B -5.278 4.078 4.348 1.00 0.00 ? 7 DC A "C2'" 2 +ATOM 1053 C "C1'" . DC A 1 16 B -4.699 3.984 5.754 1.00 0.00 ? 7 DC A "C1'" 2 +ATOM 1054 N N1 . DC A 1 16 B -3.971 2.710 5.944 1.00 0.00 ? 7 DC A N1 2 +ATOM 1055 C C2 . DC A 1 16 B -2.599 2.721 5.729 1.00 0.00 ? 7 DC A C2 2 +ATOM 1056 O O2 . DC A 1 16 B -2.016 3.739 5.386 1.00 0.00 ? 7 DC A O2 2 +ATOM 1057 N N3 . DC A 1 16 B -1.868 1.591 5.878 1.00 0.00 ? 7 DC A N3 2 +ATOM 1058 C C4 . DC A 1 16 B -2.492 0.483 6.220 1.00 0.00 ? 7 DC A C4 2 +ATOM 1059 N N4 . DC A 1 16 B -1.725 -0.563 6.328 1.00 0.00 ? 7 DC A N4 2 +ATOM 1060 C C5 . DC A 1 16 B -3.906 0.385 6.371 1.00 0.00 ? 7 DC A C5 2 +ATOM 1061 C C6 . DC A 1 16 B -4.616 1.531 6.222 1.00 0.00 ? 7 DC A C6 2 +ATOM 1062 H "H5'" . DC A 1 16 B -7.896 5.360 7.733 1.00 0.00 ? 7 DC A "H5'" 2 +ATOM 1063 H "H5''" . DC A 1 16 B -8.604 5.935 6.211 1.00 0.00 ? 7 DC A "H5''" 2 +ATOM 1064 H "H4'" . DC A 1 16 B -6.146 6.087 6.256 1.00 0.00 ? 7 DC A "H4'" 2 +ATOM 1065 H "H3'" . DC A 1 16 B -7.439 4.275 4.218 1.00 0.00 ? 7 DC A "H3'" 2 +ATOM 1066 H "H2'" . DC A 1 16 B -5.533 3.095 3.949 1.00 0.00 ? 7 DC A "H2'" 2 +ATOM 1067 H "H2''" . DC A 1 16 B -4.550 4.553 3.694 1.00 0.00 ? 7 DC A "H2''" 2 +ATOM 1068 H "H1'" . DC A 1 16 B -4.068 4.857 5.949 1.00 0.00 ? 7 DC A "H1'" 2 +ATOM 1069 H H41 . DC A 1 16 B -0.746 -0.328 6.243 1.00 0.00 ? 7 DC A H41 2 +ATOM 1070 H H42 . DC A 1 16 B -2.070 -1.423 6.708 1.00 0.00 ? 7 DC A H42 2 +ATOM 1071 H H5 . DC A 1 16 B -4.408 -0.543 6.593 1.00 0.00 ? 7 DC A H5 2 +ATOM 1072 H H6 . DC A 1 16 B -5.695 1.519 6.326 1.00 0.00 ? 7 DC A H6 2 +ATOM 1073 P P . DC A 1 17 B -6.424 6.162 2.223 1.00 0.00 ? 8 DC A P 2 +ATOM 1074 O OP1 . DC A 1 17 B -7.092 7.390 1.742 1.00 0.00 ? 8 DC A OP1 2 +ATOM 1075 O OP2 . DC A 1 17 B -6.819 4.845 1.679 1.00 0.00 ? 8 DC A OP2 2 +ATOM 1076 O "O5'" . DC A 1 17 B -4.840 6.338 1.989 1.00 0.00 ? 8 DC A "O5'" 2 +ATOM 1077 C "C5'" . DC A 1 17 B -4.241 5.986 0.757 1.00 0.00 ? 8 DC A "C5'" 2 +ATOM 1078 C "C4'" . DC A 1 17 B -2.734 6.306 0.752 1.00 0.00 ? 8 DC A "C4'" 2 +ATOM 1079 O "O4'" . DC A 1 17 B -2.034 5.507 1.706 1.00 0.00 ? 8 DC A "O4'" 2 +ATOM 1080 C "C3'" . DC A 1 17 B -2.132 5.991 -0.629 1.00 0.00 ? 8 DC A "C3'" 2 +ATOM 1081 O "O3'" . DC A 1 17 B -1.108 6.914 -0.946 1.00 0.00 ? 8 DC A "O3'" 2 +ATOM 1082 C "C2'" . DC A 1 17 B -1.576 4.593 -0.391 1.00 0.00 ? 8 DC A "C2'" 2 +ATOM 1083 C "C1'" . DC A 1 17 B -1.075 4.699 1.046 1.00 0.00 ? 8 DC A "C1'" 2 +ATOM 1084 N N1 . DC A 1 17 B -1.020 3.358 1.684 1.00 0.00 ? 8 DC A N1 2 +ATOM 1085 C C2 . DC A 1 17 B 0.208 2.707 1.790 1.00 0.00 ? 8 DC A C2 2 +ATOM 1086 O O2 . DC A 1 17 B 1.241 3.224 1.386 1.00 0.00 ? 8 DC A O2 2 +ATOM 1087 N N3 . DC A 1 17 B 0.290 1.469 2.347 1.00 0.00 ? 8 DC A N3 2 +ATOM 1088 C C4 . DC A 1 17 B -0.822 0.907 2.792 1.00 0.00 ? 8 DC A C4 2 +ATOM 1089 N N4 . DC A 1 17 B -0.691 -0.270 3.332 1.00 0.00 ? 8 DC A N4 2 +ATOM 1090 C C5 . DC A 1 17 B -2.110 1.504 2.675 1.00 0.00 ? 8 DC A C5 2 +ATOM 1091 C C6 . DC A 1 17 B -2.164 2.735 2.117 1.00 0.00 ? 8 DC A C6 2 +ATOM 1092 H "H5'" . DC A 1 17 B -4.720 6.558 -0.042 1.00 0.00 ? 8 DC A "H5'" 2 +ATOM 1093 H "H5''" . DC A 1 17 B -4.386 4.921 0.560 1.00 0.00 ? 8 DC A "H5''" 2 +ATOM 1094 H "H4'" . DC A 1 17 B -2.606 7.364 0.988 1.00 0.00 ? 8 DC A "H4'" 2 +ATOM 1095 H "H3'" . DC A 1 17 B -2.915 5.983 -1.391 1.00 0.00 ? 8 DC A "H3'" 2 +ATOM 1096 H "H2'" . DC A 1 17 B -2.388 3.871 -0.475 1.00 0.00 ? 8 DC A "H2'" 2 +ATOM 1097 H "H2''" . DC A 1 17 B -0.774 4.331 -1.076 1.00 0.00 ? 8 DC A "H2''" 2 +ATOM 1098 H "H1'" . DC A 1 17 B -0.122 5.234 1.070 1.00 0.00 ? 8 DC A "H1'" 2 +ATOM 1099 H H41 . DC A 1 17 B 0.251 -0.622 3.375 1.00 0.00 ? 8 DC A H41 2 +ATOM 1100 H H42 . DC A 1 17 B -1.464 -0.706 3.796 1.00 0.00 ? 8 DC A H42 2 +ATOM 1101 H H5 . DC A 1 17 B -3.010 1.017 3.011 1.00 0.00 ? 8 DC A H5 2 +ATOM 1102 H H6 . DC A 1 17 B -3.120 3.231 1.996 1.00 0.00 ? 8 DC A H6 2 +ATOM 1103 P P . DT A 1 18 B -0.594 7.106 -2.459 1.00 0.00 ? 9 DT A P 2 +ATOM 1104 O OP1 . DT A 1 18 B 0.118 8.399 -2.542 1.00 0.00 ? 9 DT A OP1 2 +ATOM 1105 O OP2 . DT A 1 18 B -1.725 6.831 -3.370 1.00 0.00 ? 9 DT A OP2 2 +ATOM 1106 O "O5'" . DT A 1 18 B 0.481 5.928 -2.641 1.00 0.00 ? 9 DT A "O5'" 2 +ATOM 1107 C "C5'" . DT A 1 18 B 1.845 6.112 -2.299 1.00 0.00 ? 9 DT A "C5'" 2 +ATOM 1108 C "C4'" . DT A 1 18 B 2.641 4.813 -2.496 1.00 0.00 ? 9 DT A "C4'" 2 +ATOM 1109 O "O4'" . DT A 1 18 B 2.249 3.819 -1.563 1.00 0.00 ? 9 DT A "O4'" 2 +ATOM 1110 C "C3'" . DT A 1 18 B 2.447 4.170 -3.880 1.00 0.00 ? 9 DT A "C3'" 2 +ATOM 1111 O "O3'" . DT A 1 18 B 3.537 4.455 -4.734 1.00 0.00 ? 9 DT A "O3'" 2 +ATOM 1112 C "C2'" . DT A 1 18 B 2.427 2.671 -3.578 1.00 0.00 ? 9 DT A "C2'" 2 +ATOM 1113 C "C1'" . DT A 1 18 B 2.710 2.594 -2.079 1.00 0.00 ? 9 DT A "C1'" 2 +ATOM 1114 N N1 . DT A 1 18 B 1.968 1.465 -1.454 1.00 0.00 ? 9 DT A N1 2 +ATOM 1115 C C2 . DT A 1 18 B 2.737 0.402 -0.994 1.00 0.00 ? 9 DT A C2 2 +ATOM 1116 O O2 . DT A 1 18 B 3.948 0.313 -1.133 1.00 0.00 ? 9 DT A O2 2 +ATOM 1117 N N3 . DT A 1 18 B 2.075 -0.618 -0.374 1.00 0.00 ? 9 DT A N3 2 +ATOM 1118 C C4 . DT A 1 18 B 0.726 -0.690 -0.158 1.00 0.00 ? 9 DT A C4 2 +ATOM 1119 O O4 . DT A 1 18 B 0.301 -1.658 0.460 1.00 0.00 ? 9 DT A O4 2 +ATOM 1120 C C5 . DT A 1 18 B -0.056 0.402 -0.743 1.00 0.00 ? 9 DT A C5 2 +ATOM 1121 C C7 . DT A 1 18 B -1.585 0.396 -0.695 1.00 0.00 ? 9 DT A C7 2 +ATOM 1122 C C6 . DT A 1 18 B 0.580 1.431 -1.369 1.00 0.00 ? 9 DT A C6 2 +ATOM 1123 H "H5'" . DT A 1 18 B 1.939 6.429 -1.257 1.00 0.00 ? 9 DT A "H5'" 2 +ATOM 1124 H "H5''" . DT A 1 18 B 2.281 6.880 -2.941 1.00 0.00 ? 9 DT A "H5''" 2 +ATOM 1125 H "H4'" . DT A 1 18 B 3.700 5.027 -2.335 1.00 0.00 ? 9 DT A "H4'" 2 +ATOM 1126 H "H3'" . DT A 1 18 B 1.515 4.473 -4.360 1.00 0.00 ? 9 DT A "H3'" 2 +ATOM 1127 H "H2'" . DT A 1 18 B 1.435 2.294 -3.823 1.00 0.00 ? 9 DT A "H2'" 2 +ATOM 1128 H "H2''" . DT A 1 18 B 3.161 2.099 -4.136 1.00 0.00 ? 9 DT A "H2''" 2 +ATOM 1129 H "H1'" . DT A 1 18 B 3.810 2.572 -1.933 1.00 0.00 ? 9 DT A "H1'" 2 +ATOM 1130 H H3 . DT A 1 18 B 2.643 -1.397 -0.071 1.00 0.00 ? 9 DT A H3 2 +ATOM 1131 H H71 . DT A 1 18 B -1.981 0.038 -1.646 1.00 0.00 ? 9 DT A H71 2 +ATOM 1132 H H72 . DT A 1 18 B -1.947 -0.260 0.100 1.00 0.00 ? 9 DT A H72 2 +ATOM 1133 H H73 . DT A 1 18 B -1.976 1.398 -0.508 1.00 0.00 ? 9 DT A H73 2 +ATOM 1134 H H6 . DT A 1 18 B -0.042 2.205 -1.818 1.00 0.00 ? 9 DT A H6 2 +ATOM 1135 O "O5'" . DA A 1 1 ? 9.671 -8.290 3.420 1.00 0.00 ? 1 DA A "O5'" 3 +ATOM 1136 C "C5'" . DA A 1 1 ? 8.298 -8.131 3.741 1.00 0.00 ? 1 DA A "C5'" 3 +ATOM 1137 C "C4'" . DA A 1 1 ? 7.517 -7.568 2.547 1.00 0.00 ? 1 DA A "C4'" 3 +ATOM 1138 O "O4'" . DA A 1 1 ? 6.098 -7.615 2.736 1.00 0.00 ? 1 DA A "O4'" 3 +ATOM 1139 C "C3'" . DA A 1 1 ? 7.870 -6.093 2.280 1.00 0.00 ? 1 DA A "C3'" 3 +ATOM 1140 O "O3'" . DA A 1 1 ? 8.237 -5.872 0.939 1.00 0.00 ? 1 DA A "O3'" 3 +ATOM 1141 C "C2'" . DA A 1 1 ? 6.545 -5.416 2.548 1.00 0.00 ? 1 DA A "C2'" 3 +ATOM 1142 C "C1'" . DA A 1 1 ? 5.574 -6.473 2.079 1.00 0.00 ? 1 DA A "C1'" 3 +ATOM 1143 N N9 . DA A 1 1 ? 4.242 -6.056 2.545 1.00 0.00 ? 1 DA A N9 3 +ATOM 1144 C C8 . DA A 1 1 ? 3.749 -6.074 3.820 1.00 0.00 ? 1 DA A C8 3 +ATOM 1145 N N7 . DA A 1 1 ? 2.626 -5.425 3.977 1.00 0.00 ? 1 DA A N7 3 +ATOM 1146 C C5 . DA A 1 1 ? 2.397 -4.883 2.706 1.00 0.00 ? 1 DA A C5 3 +ATOM 1147 C C6 . DA A 1 1 ? 1.436 -4.018 2.131 1.00 0.00 ? 1 DA A C6 3 +ATOM 1148 N N6 . DA A 1 1 ? 0.395 -3.501 2.752 1.00 0.00 ? 1 DA A N6 3 +ATOM 1149 N N1 . DA A 1 1 ? 1.529 -3.633 0.854 1.00 0.00 ? 1 DA A N1 3 +ATOM 1150 C C2 . DA A 1 1 ? 2.549 -4.081 0.133 1.00 0.00 ? 1 DA A C2 3 +ATOM 1151 N N3 . DA A 1 1 ? 3.519 -4.895 0.531 1.00 0.00 ? 1 DA A N3 3 +ATOM 1152 C C4 . DA A 1 1 ? 3.388 -5.255 1.837 1.00 0.00 ? 1 DA A C4 3 +ATOM 1153 H "H5'" . DA A 1 1 ? 8.196 -7.467 4.601 1.00 0.00 ? 1 DA A "H5'" 3 +ATOM 1154 H "H5''" . DA A 1 1 ? 7.898 -9.110 4.009 1.00 0.00 ? 1 DA A "H5''" 3 +ATOM 1155 H "H4'" . DA A 1 1 ? 7.756 -8.170 1.667 1.00 0.00 ? 1 DA A "H4'" 3 +ATOM 1156 H "H3'" . DA A 1 1 ? 8.592 -5.688 2.995 1.00 0.00 ? 1 DA A "H3'" 3 +ATOM 1157 H "H2'" . DA A 1 1 ? 6.436 -5.231 3.619 1.00 0.00 ? 1 DA A "H2'" 3 +ATOM 1158 H "H2''" . DA A 1 1 ? 6.400 -4.504 1.982 1.00 0.00 ? 1 DA A "H2''" 3 +ATOM 1159 H "H1'" . DA A 1 1 ? 5.604 -6.603 0.994 1.00 0.00 ? 1 DA A "H1'" 3 +ATOM 1160 H H8 . DA A 1 1 ? 4.279 -6.563 4.621 1.00 0.00 ? 1 DA A H8 3 +ATOM 1161 H H61 . DA A 1 1 ? -0.201 -2.898 2.199 1.00 0.00 ? 1 DA A H61 3 +ATOM 1162 H H62 . DA A 1 1 ? 0.285 -3.643 3.741 1.00 0.00 ? 1 DA A H62 3 +ATOM 1163 H H2 . DA A 1 1 ? 2.590 -3.751 -0.893 1.00 0.00 ? 1 DA A H2 3 +ATOM 1164 H "HO5'" . DA A 1 1 ? 9.976 -7.567 2.839 1.00 0.00 ? 1 DA A "HO5'" 3 +ATOM 1165 P P . DG A 1 2 ? 9.777 -5.931 0.511 1.00 0.00 ? 2 DG A P 3 +ATOM 1166 O OP1 . DG A 1 2 ? 9.862 -6.579 -0.813 1.00 0.00 ? 2 DG A OP1 3 +ATOM 1167 O OP2 . DG A 1 2 ? 10.524 -6.492 1.663 1.00 0.00 ? 2 DG A OP2 3 +ATOM 1168 O "O5'" . DG A 1 2 ? 10.120 -4.365 0.354 1.00 0.00 ? 2 DG A "O5'" 3 +ATOM 1169 C "C5'" . DG A 1 2 ? 10.368 -3.514 1.466 1.00 0.00 ? 2 DG A "C5'" 3 +ATOM 1170 C "C4'" . DG A 1 2 ? 9.988 -2.063 1.107 1.00 0.00 ? 2 DG A "C4'" 3 +ATOM 1171 O "O4'" . DG A 1 2 ? 8.565 -1.929 1.132 1.00 0.00 ? 2 DG A "O4'" 3 +ATOM 1172 C "C3'" . DG A 1 2 ? 10.542 -1.033 2.112 1.00 0.00 ? 2 DG A "C3'" 3 +ATOM 1173 O "O3'" . DG A 1 2 ? 10.841 0.172 1.428 1.00 0.00 ? 2 DG A "O3'" 3 +ATOM 1174 C "C2'" . DG A 1 2 ? 9.344 -0.871 3.039 1.00 0.00 ? 2 DG A "C2'" 3 +ATOM 1175 C "C1'" . DG A 1 2 ? 8.208 -0.885 2.020 1.00 0.00 ? 2 DG A "C1'" 3 +ATOM 1176 N N9 . DG A 1 2 ? 6.895 -1.180 2.630 1.00 0.00 ? 2 DG A N9 3 +ATOM 1177 C C8 . DG A 1 2 ? 6.519 -2.272 3.365 1.00 0.00 ? 2 DG A C8 3 +ATOM 1178 N N7 . DG A 1 2 ? 5.246 -2.327 3.646 1.00 0.00 ? 2 DG A N7 3 +ATOM 1179 C C5 . DG A 1 2 ? 4.744 -1.140 3.100 1.00 0.00 ? 2 DG A C5 3 +ATOM 1180 C C6 . DG A 1 2 ? 3.427 -0.566 3.082 1.00 0.00 ? 2 DG A C6 3 +ATOM 1181 O O6 . DG A 1 2 ? 2.375 -1.043 3.491 1.00 0.00 ? 2 DG A O6 3 +ATOM 1182 N N1 . DG A 1 2 ? 3.363 0.698 2.526 1.00 0.00 ? 2 DG A N1 3 +ATOM 1183 C C2 . DG A 1 2 ? 4.431 1.300 1.948 1.00 0.00 ? 2 DG A C2 3 +ATOM 1184 N N2 . DG A 1 2 ? 4.262 2.507 1.491 1.00 0.00 ? 2 DG A N2 3 +ATOM 1185 N N3 . DG A 1 2 ? 5.656 0.792 1.906 1.00 0.00 ? 2 DG A N3 3 +ATOM 1186 C C4 . DG A 1 2 ? 5.757 -0.424 2.507 1.00 0.00 ? 2 DG A C4 3 +ATOM 1187 H "H5'" . DG A 1 2 ? 11.431 -3.576 1.701 1.00 0.00 ? 2 DG A "H5'" 3 +ATOM 1188 H "H5''" . DG A 1 2 ? 9.800 -3.811 2.349 1.00 0.00 ? 2 DG A "H5''" 3 +ATOM 1189 H "H4'" . DG A 1 2 ? 10.369 -1.842 0.107 1.00 0.00 ? 2 DG A "H4'" 3 +ATOM 1190 H "H3'" . DG A 1 2 ? 11.424 -1.403 2.639 1.00 0.00 ? 2 DG A "H3'" 3 +ATOM 1191 H "H2'" . DG A 1 2 ? 9.305 -1.728 3.710 1.00 0.00 ? 2 DG A "H2'" 3 +ATOM 1192 H "H2''" . DG A 1 2 ? 9.372 0.042 3.626 1.00 0.00 ? 2 DG A "H2''" 3 +ATOM 1193 H "H1'" . DG A 1 2 ? 8.190 0.060 1.473 1.00 0.00 ? 2 DG A "H1'" 3 +ATOM 1194 H H8 . DG A 1 2 ? 7.208 -3.048 3.660 1.00 0.00 ? 2 DG A H8 3 +ATOM 1195 H H1 . DG A 1 2 ? 2.453 1.144 2.516 1.00 0.00 ? 2 DG A H1 3 +ATOM 1196 H H21 . DG A 1 2 ? 3.373 2.973 1.585 1.00 0.00 ? 2 DG A H21 3 +ATOM 1197 H H22 . DG A 1 2 ? 5.096 2.956 1.163 1.00 0.00 ? 2 DG A H22 3 +ATOM 1198 P P . DG A 1 3 ? 11.308 1.500 2.203 1.00 0.00 ? 3 DG A P 3 +ATOM 1199 O OP1 . DG A 1 3 ? 12.125 2.315 1.281 1.00 0.00 ? 3 DG A OP1 3 +ATOM 1200 O OP2 . DG A 1 3 ? 11.861 1.091 3.513 1.00 0.00 ? 3 DG A OP2 3 +ATOM 1201 O "O5'" . DG A 1 3 ? 9.910 2.266 2.454 1.00 0.00 ? 3 DG A "O5'" 3 +ATOM 1202 C "C5'" . DG A 1 3 ? 9.708 3.087 3.593 1.00 0.00 ? 3 DG A "C5'" 3 +ATOM 1203 C "C4'" . DG A 1 3 ? 8.367 3.845 3.515 1.00 0.00 ? 3 DG A "C4'" 3 +ATOM 1204 O "O4'" . DG A 1 3 ? 7.251 2.958 3.601 1.00 0.00 ? 3 DG A "O4'" 3 +ATOM 1205 C "C3'" . DG A 1 3 ? 8.219 4.848 4.679 1.00 0.00 ? 3 DG A "C3'" 3 +ATOM 1206 O "O3'" . DG A 1 3 ? 7.725 6.085 4.200 1.00 0.00 ? 3 DG A "O3'" 3 +ATOM 1207 C "C2'" . DG A 1 3 ? 7.181 4.149 5.551 1.00 0.00 ? 3 DG A "C2'" 3 +ATOM 1208 C "C1'" . DG A 1 3 ? 6.298 3.535 4.474 1.00 0.00 ? 3 DG A "C1'" 3 +ATOM 1209 N N9 . DG A 1 3 ? 5.418 2.495 5.039 1.00 0.00 ? 3 DG A N9 3 +ATOM 1210 C C8 . DG A 1 3 ? 5.780 1.316 5.632 1.00 0.00 ? 3 DG A C8 3 +ATOM 1211 N N7 . DG A 1 3 ? 4.781 0.595 6.053 1.00 0.00 ? 3 DG A N7 3 +ATOM 1212 C C5 . DG A 1 3 ? 3.663 1.373 5.738 1.00 0.00 ? 3 DG A C5 3 +ATOM 1213 C C6 . DG A 1 3 ? 2.261 1.181 5.978 1.00 0.00 ? 3 DG A C6 3 +ATOM 1214 O O6 . DG A 1 3 ? 1.699 0.229 6.500 1.00 0.00 ? 3 DG A O6 3 +ATOM 1215 N N1 . DG A 1 3 ? 1.461 2.233 5.576 1.00 0.00 ? 3 DG A N1 3 +ATOM 1216 C C2 . DG A 1 3 ? 1.953 3.337 4.964 1.00 0.00 ? 3 DG A C2 3 +ATOM 1217 N N2 . DG A 1 3 ? 1.104 4.296 4.722 1.00 0.00 ? 3 DG A N2 3 +ATOM 1218 N N3 . DG A 1 3 ? 3.241 3.558 4.722 1.00 0.00 ? 3 DG A N3 3 +ATOM 1219 C C4 . DG A 1 3 ? 4.050 2.543 5.130 1.00 0.00 ? 3 DG A C4 3 +ATOM 1220 H "H5'" . DG A 1 3 ? 10.512 3.825 3.643 1.00 0.00 ? 3 DG A "H5'" 3 +ATOM 1221 H "H5''" . DG A 1 3 ? 9.729 2.483 4.502 1.00 0.00 ? 3 DG A "H5''" 3 +ATOM 1222 H "H4'" . DG A 1 3 ? 8.331 4.377 2.562 1.00 0.00 ? 3 DG A "H4'" 3 +ATOM 1223 H "H3'" . DG A 1 3 ? 9.166 4.975 5.208 1.00 0.00 ? 3 DG A "H3'" 3 +ATOM 1224 H "H2'" . DG A 1 3 ? 7.675 3.378 6.143 1.00 0.00 ? 3 DG A "H2'" 3 +ATOM 1225 H "H2''" . DG A 1 3 ? 6.625 4.814 6.207 1.00 0.00 ? 3 DG A "H2''" 3 +ATOM 1226 H "H1'" . DG A 1 3 ? 5.728 4.305 3.950 1.00 0.00 ? 3 DG A "H1'" 3 +ATOM 1227 H H8 . DG A 1 3 ? 6.809 1.021 5.755 1.00 0.00 ? 3 DG A H8 3 +ATOM 1228 H H1 . DG A 1 3 ? 0.462 2.131 5.713 1.00 0.00 ? 3 DG A H1 3 +ATOM 1229 H H21 . DG A 1 3 ? 0.124 4.194 4.941 1.00 0.00 ? 3 DG A H21 3 +ATOM 1230 H H22 . DG A 1 3 ? 1.507 5.131 4.337 1.00 0.00 ? 3 DG A H22 3 +ATOM 1231 P P . DA A 1 4 ? 7.675 7.389 5.139 1.00 0.00 ? 4 DA A P 3 +ATOM 1232 O OP1 . DA A 1 4 ? 7.730 8.577 4.261 1.00 0.00 ? 4 DA A OP1 3 +ATOM 1233 O OP2 . DA A 1 4 ? 8.684 7.218 6.206 1.00 0.00 ? 4 DA A OP2 3 +ATOM 1234 O "O5'" . DA A 1 4 ? 6.213 7.322 5.814 1.00 0.00 ? 4 DA A "O5'" 3 +ATOM 1235 C "C5'" . DA A 1 4 ? 5.067 7.837 5.153 1.00 0.00 ? 4 DA A "C5'" 3 +ATOM 1236 C "C4'" . DA A 1 4 ? 3.796 7.702 6.013 1.00 0.00 ? 4 DA A "C4'" 3 +ATOM 1237 O "O4'" . DA A 1 4 ? 3.414 6.346 6.185 1.00 0.00 ? 4 DA A "O4'" 3 +ATOM 1238 C "C3'" . DA A 1 4 ? 3.937 8.285 7.430 1.00 0.00 ? 4 DA A "C3'" 3 +ATOM 1239 O "O3'" . DA A 1 4 ? 3.417 9.601 7.467 1.00 0.00 ? 4 DA A "O3'" 3 +ATOM 1240 C "C2'" . DA A 1 4 ? 3.114 7.306 8.277 1.00 0.00 ? 4 DA A "C2'" 3 +ATOM 1241 C "C1'" . DA A 1 4 ? 2.529 6.311 7.281 1.00 0.00 ? 4 DA A "C1'" 3 +ATOM 1242 N N9 . DA A 1 4 ? 2.489 4.953 7.856 1.00 0.00 ? 4 DA A N9 3 +ATOM 1243 C C8 . DA A 1 4 ? 3.538 4.114 8.144 1.00 0.00 ? 4 DA A C8 3 +ATOM 1244 N N7 . DA A 1 4 ? 3.176 2.951 8.615 1.00 0.00 ? 4 DA A N7 3 +ATOM 1245 C C5 . DA A 1 4 ? 1.780 3.046 8.668 1.00 0.00 ? 4 DA A C5 3 +ATOM 1246 C C6 . DA A 1 4 ? 0.727 2.186 9.059 1.00 0.00 ? 4 DA A C6 3 +ATOM 1247 N N6 . DA A 1 4 ? 0.887 0.939 9.452 1.00 0.00 ? 4 DA A N6 3 +ATOM 1248 N N1 . DA A 1 4 ? -0.547 2.596 9.040 1.00 0.00 ? 4 DA A N1 3 +ATOM 1249 C C2 . DA A 1 4 ? -0.799 3.828 8.611 1.00 0.00 ? 4 DA A C2 3 +ATOM 1250 N N3 . DA A 1 4 ? 0.079 4.732 8.189 1.00 0.00 ? 4 DA A N3 3 +ATOM 1251 C C4 . DA A 1 4 ? 1.360 4.276 8.238 1.00 0.00 ? 4 DA A C4 3 +ATOM 1252 H "H5'" . DA A 1 4 ? 4.912 7.315 4.207 1.00 0.00 ? 4 DA A "H5'" 3 +ATOM 1253 H "H5''" . DA A 1 4 ? 5.212 8.900 4.947 1.00 0.00 ? 4 DA A "H5''" 3 +ATOM 1254 H "H4'" . DA A 1 4 ? 2.978 8.207 5.494 1.00 0.00 ? 4 DA A "H4'" 3 +ATOM 1255 H "H3'" . DA A 1 4 ? 4.980 8.274 7.756 1.00 0.00 ? 4 DA A "H3'" 3 +ATOM 1256 H "H2'" . DA A 1 4 ? 3.802 6.823 8.970 1.00 0.00 ? 4 DA A "H2'" 3 +ATOM 1257 H "H2''" . DA A 1 4 ? 2.310 7.759 8.844 1.00 0.00 ? 4 DA A "H2''" 3 +ATOM 1258 H "H1'" . DA A 1 4 ? 1.539 6.661 6.949 1.00 0.00 ? 4 DA A "H1'" 3 +ATOM 1259 H H8 . DA A 1 4 ? 4.578 4.387 8.003 1.00 0.00 ? 4 DA A H8 3 +ATOM 1260 H H61 . DA A 1 4 ? 0.055 0.407 9.661 1.00 0.00 ? 4 DA A H61 3 +ATOM 1261 H H62 . DA A 1 4 ? 1.807 0.533 9.426 1.00 0.00 ? 4 DA A H62 3 +ATOM 1262 H H2 . DA A 1 4 ? -1.833 4.130 8.598 1.00 0.00 ? 4 DA A H2 3 +ATOM 1263 P P . DT A 1 5 ? 3.365 10.452 8.831 1.00 0.00 ? 5 DT A P 3 +ATOM 1264 O OP1 . DT A 1 5 ? 3.528 11.885 8.506 1.00 0.00 ? 5 DT A OP1 3 +ATOM 1265 O OP2 . DT A 1 5 ? 4.254 9.811 9.824 1.00 0.00 ? 5 DT A OP2 3 +ATOM 1266 O "O5'" . DT A 1 5 ? 1.848 10.223 9.304 1.00 0.00 ? 5 DT A "O5'" 3 +ATOM 1267 C "C5'" . DT A 1 5 ? 1.457 10.415 10.651 1.00 0.00 ? 5 DT A "C5'" 3 +ATOM 1268 C "C4'" . DT A 1 5 ? -0.037 10.087 10.826 1.00 0.00 ? 5 DT A "C4'" 3 +ATOM 1269 O "O4'" . DT A 1 5 ? -0.274 8.718 10.501 1.00 0.00 ? 5 DT A "O4'" 3 +ATOM 1270 C "C3'" . DT A 1 5 ? -0.479 10.289 12.288 1.00 0.00 ? 5 DT A "C3'" 3 +ATOM 1271 O "O3'" . DT A 1 5 ? -1.824 10.730 12.325 1.00 0.00 ? 5 DT A "O3'" 3 +ATOM 1272 C "C2'" . DT A 1 5 ? -0.344 8.869 12.824 1.00 0.00 ? 5 DT A "C2'" 3 +ATOM 1273 C "C1'" . DT A 1 5 ? -0.826 8.063 11.623 1.00 0.00 ? 5 DT A "C1'" 3 +ATOM 1274 N N1 . DT A 1 5 ? -0.311 6.669 11.681 1.00 0.00 ? 5 DT A N1 3 +ATOM 1275 C C2 . DT A 1 5 ? -1.247 5.657 11.885 1.00 0.00 ? 5 DT A C2 3 +ATOM 1276 O O2 . DT A 1 5 ? -2.449 5.837 11.999 1.00 0.00 ? 5 DT A O2 3 +ATOM 1277 N N3 . DT A 1 5 ? -0.766 4.382 11.988 1.00 0.00 ? 5 DT A N3 3 +ATOM 1278 C C4 . DT A 1 5 ? 0.552 4.015 11.945 1.00 0.00 ? 5 DT A C4 3 +ATOM 1279 O O4 . DT A 1 5 ? 0.828 2.837 12.128 1.00 0.00 ? 5 DT A O4 3 +ATOM 1280 C C5 . DT A 1 5 ? 1.499 5.102 11.701 1.00 0.00 ? 5 DT A C5 3 +ATOM 1281 C C7 . DT A 1 5 ? 3.005 4.837 11.635 1.00 0.00 ? 5 DT A C7 3 +ATOM 1282 C C6 . DT A 1 5 ? 1.045 6.380 11.580 1.00 0.00 ? 5 DT A C6 3 +ATOM 1283 H "H5'" . DT A 1 5 ? 1.628 11.457 10.932 1.00 0.00 ? 5 DT A "H5'" 3 +ATOM 1284 H "H5''" . DT A 1 5 ? 2.045 9.772 11.309 1.00 0.00 ? 5 DT A "H5''" 3 +ATOM 1285 H "H4'" . DT A 1 5 ? -0.613 10.732 10.160 1.00 0.00 ? 5 DT A "H4'" 3 +ATOM 1286 H "H3'" . DT A 1 5 ? 0.180 10.991 12.806 1.00 0.00 ? 5 DT A "H3'" 3 +ATOM 1287 H "H2'" . DT A 1 5 ? 0.706 8.674 13.043 1.00 0.00 ? 5 DT A "H2'" 3 +ATOM 1288 H "H2''" . DT A 1 5 ? -0.940 8.669 13.710 1.00 0.00 ? 5 DT A "H2''" 3 +ATOM 1289 H "H1'" . DT A 1 5 ? -1.923 8.148 11.554 1.00 0.00 ? 5 DT A "H1'" 3 +ATOM 1290 H H3 . DT A 1 5 ? -1.458 3.663 12.161 1.00 0.00 ? 5 DT A H3 3 +ATOM 1291 H H71 . DT A 1 5 ? 3.207 3.785 11.422 1.00 0.00 ? 5 DT A H71 3 +ATOM 1292 H H72 . DT A 1 5 ? 3.477 5.431 10.851 1.00 0.00 ? 5 DT A H72 3 +ATOM 1293 H H73 . DT A 1 5 ? 3.466 5.093 12.590 1.00 0.00 ? 5 DT A H73 3 +ATOM 1294 H H6 . DT A 1 5 ? 1.779 7.165 11.417 1.00 0.00 ? 5 DT A H6 3 +ATOM 1295 P P . DC A 1 6 ? -2.528 11.195 13.694 1.00 0.00 ? 6 DC A P 3 +ATOM 1296 O OP1 . DC A 1 6 ? -3.690 12.039 13.348 1.00 0.00 ? 6 DC A OP1 3 +ATOM 1297 O OP2 . DC A 1 6 ? -1.474 11.726 14.586 1.00 0.00 ? 6 DC A OP2 3 +ATOM 1298 O "O5'" . DC A 1 6 ? -3.078 9.815 14.316 1.00 0.00 ? 6 DC A "O5'" 3 +ATOM 1299 C "C5'" . DC A 1 6 ? -2.798 9.435 15.653 1.00 0.00 ? 6 DC A "C5'" 3 +ATOM 1300 C "C4'" . DC A 1 6 ? -3.412 8.059 15.962 1.00 0.00 ? 6 DC A "C4'" 3 +ATOM 1301 O "O4'" . DC A 1 6 ? -2.766 7.024 15.230 1.00 0.00 ? 6 DC A "O4'" 3 +ATOM 1302 C "C3'" . DC A 1 6 ? -3.224 7.660 17.431 1.00 0.00 ? 6 DC A "C3'" 3 +ATOM 1303 O "O3'" . DC A 1 6 ? -4.323 8.045 18.231 1.00 0.00 ? 6 DC A "O3'" 3 +ATOM 1304 C "C2'" . DC A 1 6 ? -3.075 6.136 17.368 1.00 0.00 ? 6 DC A "C2'" 3 +ATOM 1305 C "C1'" . DC A 1 6 ? -3.052 5.803 15.876 1.00 0.00 ? 6 DC A "C1'" 3 +ATOM 1306 N N1 . DC A 1 6 ? -2.029 4.768 15.588 1.00 0.00 ? 6 DC A N1 3 +ATOM 1307 C C2 . DC A 1 6 ? -2.381 3.437 15.796 1.00 0.00 ? 6 DC A C2 3 +ATOM 1308 O O2 . DC A 1 6 ? -3.524 3.124 16.102 1.00 0.00 ? 6 DC A O2 3 +ATOM 1309 N N3 . DC A 1 6 ? -1.456 2.449 15.675 1.00 0.00 ? 6 DC A N3 3 +ATOM 1310 C C4 . DC A 1 6 ? -0.224 2.785 15.344 1.00 0.00 ? 6 DC A C4 3 +ATOM 1311 N N4 . DC A 1 6 ? 0.628 1.801 15.289 1.00 0.00 ? 6 DC A N4 3 +ATOM 1312 C C5 . DC A 1 6 ? 0.211 4.129 15.165 1.00 0.00 ? 6 DC A C5 3 +ATOM 1313 C C6 . DC A 1 6 ? -0.727 5.096 15.294 1.00 0.00 ? 6 DC A C6 3 +ATOM 1314 H "H5'" . DC A 1 6 ? -3.235 10.169 16.334 1.00 0.00 ? 6 DC A "H5'" 3 +ATOM 1315 H "H5''" . DC A 1 6 ? -1.721 9.393 15.827 1.00 0.00 ? 6 DC A "H5''" 3 +ATOM 1316 H "H4'" . DC A 1 6 ? -4.476 8.065 15.714 1.00 0.00 ? 6 DC A "H4'" 3 +ATOM 1317 H "H3'" . DC A 1 6 ? -2.291 8.103 17.792 1.00 0.00 ? 6 DC A "H3'" 3 +ATOM 1318 H "H2'" . DC A 1 6 ? -2.153 5.854 17.877 1.00 0.00 ? 6 DC A "H2'" 3 +ATOM 1319 H "H2''" . DC A 1 6 ? -3.919 5.622 17.831 1.00 0.00 ? 6 DC A "H2''" 3 +ATOM 1320 H "H1'" . DC A 1 6 ? -4.048 5.496 15.543 1.00 0.00 ? 6 DC A "H1'" 3 +ATOM 1321 H H41 . DC A 1 6 ? 0.202 0.891 15.377 1.00 0.00 ? 6 DC A H41 3 +ATOM 1322 H H42 . DC A 1 6 ? 1.554 1.955 14.939 1.00 0.00 ? 6 DC A H42 3 +ATOM 1323 H H5 . DC A 1 6 ? 1.234 4.386 14.942 1.00 0.00 ? 6 DC A H5 3 +ATOM 1324 H H6 . DC A 1 6 ? -0.440 6.135 15.178 1.00 0.00 ? 6 DC A H6 3 +ATOM 1325 P P . DC A 1 7 ? -4.288 7.859 19.828 1.00 0.00 ? 7 DC A P 3 +ATOM 1326 O OP1 . DC A 1 7 ? -5.105 8.926 20.442 1.00 0.00 ? 7 DC A OP1 3 +ATOM 1327 O OP2 . DC A 1 7 ? -2.878 7.683 20.240 1.00 0.00 ? 7 DC A OP2 3 +ATOM 1328 O "O5'" . DC A 1 7 ? -5.043 6.461 20.061 1.00 0.00 ? 7 DC A "O5'" 3 +ATOM 1329 C "C5'" . DC A 1 7 ? -4.929 5.765 21.290 1.00 0.00 ? 7 DC A "C5'" 3 +ATOM 1330 C "C4'" . DC A 1 7 ? -5.791 4.488 21.283 1.00 0.00 ? 7 DC A "C4'" 3 +ATOM 1331 O "O4'" . DC A 1 7 ? -5.387 3.631 20.219 1.00 0.00 ? 7 DC A "O4'" 3 +ATOM 1332 C "C3'" . DC A 1 7 ? -5.613 3.699 22.592 1.00 0.00 ? 7 DC A "C3'" 3 +ATOM 1333 O "O3'" . DC A 1 7 ? -6.763 2.929 22.877 1.00 0.00 ? 7 DC A "O3'" 3 +ATOM 1334 C "C2'" . DC A 1 7 ? -4.476 2.764 22.209 1.00 0.00 ? 7 DC A "C2'" 3 +ATOM 1335 C "C1'" . DC A 1 7 ? -4.811 2.455 20.753 1.00 0.00 ? 7 DC A "C1'" 3 +ATOM 1336 N N1 . DC A 1 7 ? -3.580 2.089 20.014 1.00 0.00 ? 7 DC A N1 3 +ATOM 1337 C C2 . DC A 1 7 ? -3.197 0.752 20.022 1.00 0.00 ? 7 DC A C2 3 +ATOM 1338 O O2 . DC A 1 7 ? -3.887 -0.103 20.558 1.00 0.00 ? 7 DC A O2 3 +ATOM 1339 N N3 . DC A 1 7 ? -2.028 0.366 19.450 1.00 0.00 ? 7 DC A N3 3 +ATOM 1340 C C4 . DC A 1 7 ? -1.266 1.289 18.890 1.00 0.00 ? 7 DC A C4 3 +ATOM 1341 N N4 . DC A 1 7 ? -0.158 0.856 18.359 1.00 0.00 ? 7 DC A N4 3 +ATOM 1342 C C5 . DC A 1 7 ? -1.576 2.679 18.898 1.00 0.00 ? 7 DC A C5 3 +ATOM 1343 C C6 . DC A 1 7 ? -2.750 3.039 19.469 1.00 0.00 ? 7 DC A C6 3 +ATOM 1344 H "H5'" . DC A 1 7 ? -5.268 6.408 22.106 1.00 0.00 ? 7 DC A "H5'" 3 +ATOM 1345 H "H5''" . DC A 1 7 ? -3.885 5.499 21.466 1.00 0.00 ? 7 DC A "H5''" 3 +ATOM 1346 H "H4'" . DC A 1 7 ? -6.835 4.778 21.152 1.00 0.00 ? 7 DC A "H4'" 3 +ATOM 1347 H "H3'" . DC A 1 7 ? -5.339 4.365 23.414 1.00 0.00 ? 7 DC A "H3'" 3 +ATOM 1348 H "H2'" . DC A 1 7 ? -3.524 3.288 22.300 1.00 0.00 ? 7 DC A "H2'" 3 +ATOM 1349 H "H2''" . DC A 1 7 ? -4.468 1.855 22.807 1.00 0.00 ? 7 DC A "H2''" 3 +ATOM 1350 H "H1'" . DC A 1 7 ? -5.580 1.680 20.703 1.00 0.00 ? 7 DC A "H1'" 3 +ATOM 1351 H H41 . DC A 1 7 ? -0.037 -0.144 18.419 1.00 0.00 ? 7 DC A H41 3 +ATOM 1352 H H42 . DC A 1 7 ? 0.425 1.463 17.815 1.00 0.00 ? 7 DC A H42 3 +ATOM 1353 H H5 . DC A 1 7 ? -0.919 3.425 18.483 1.00 0.00 ? 7 DC A H5 3 +ATOM 1354 H H6 . DC A 1 7 ? -3.023 4.087 19.514 1.00 0.00 ? 7 DC A H6 3 +ATOM 1355 P P . DT A 1 8 ? -7.158 2.527 24.384 1.00 0.00 ? 8 DT A P 3 +ATOM 1356 O OP1 . DT A 1 8 ? -8.463 1.835 24.330 1.00 0.00 ? 8 DT A OP1 3 +ATOM 1357 O OP2 . DT A 1 8 ? -7.015 3.743 25.214 1.00 0.00 ? 8 DT A OP2 3 +ATOM 1358 O "O5'" . DT A 1 8 ? -6.050 1.450 24.864 1.00 0.00 ? 8 DT A "O5'" 3 +ATOM 1359 C "C5'" . DT A 1 8 ? -4.917 1.819 25.640 1.00 0.00 ? 8 DT A "C5'" 3 +ATOM 1360 C "C4'" . DT A 1 8 ? -4.193 0.573 26.186 1.00 0.00 ? 8 DT A "C4'" 3 +ATOM 1361 O "O4'" . DT A 1 8 ? -3.536 -0.204 25.179 1.00 0.00 ? 8 DT A "O4'" 3 +ATOM 1362 C "C3'" . DT A 1 8 ? -3.118 0.913 27.243 1.00 0.00 ? 8 DT A "C3'" 3 +ATOM 1363 O "O3'" . DT A 1 8 ? -3.351 0.349 28.521 1.00 0.00 ? 8 DT A "O3'" 3 +ATOM 1364 C "C2'" . DT A 1 8 ? -1.869 0.309 26.608 1.00 0.00 ? 8 DT A "C2'" 3 +ATOM 1365 C "C1'" . DT A 1 8 ? -2.454 -0.857 25.813 1.00 0.00 ? 8 DT A "C1'" 3 +ATOM 1366 N N1 . DT A 1 8 ? -1.481 -1.440 24.816 1.00 0.00 ? 8 DT A N1 3 +ATOM 1367 C C2 . DT A 1 8 ? -1.006 -2.719 25.129 1.00 0.00 ? 8 DT A C2 3 +ATOM 1368 O O2 . DT A 1 8 ? -1.439 -3.415 26.032 1.00 0.00 ? 8 DT A O2 3 +ATOM 1369 N N3 . DT A 1 8 ? 0.031 -3.220 24.388 1.00 0.00 ? 8 DT A N3 3 +ATOM 1370 C C4 . DT A 1 8 ? 0.614 -2.597 23.322 1.00 0.00 ? 8 DT A C4 3 +ATOM 1371 O O4 . DT A 1 8 ? 1.565 -3.155 22.791 1.00 0.00 ? 8 DT A O4 3 +ATOM 1372 C C5 . DT A 1 8 ? 0.041 -1.304 22.958 1.00 0.00 ? 8 DT A C5 3 +ATOM 1373 C C7 . DT A 1 8 ? 0.641 -0.473 21.821 1.00 0.00 ? 8 DT A C7 3 +ATOM 1374 C C6 . DT A 1 8 ? -0.978 -0.771 23.688 1.00 0.00 ? 8 DT A C6 3 +ATOM 1375 H "H5'" . DT A 1 8 ? -5.250 2.398 26.505 1.00 0.00 ? 8 DT A "H5'" 3 +ATOM 1376 H "H5''" . DT A 1 8 ? -4.224 2.429 25.061 1.00 0.00 ? 8 DT A "H5''" 3 +ATOM 1377 H "H4'" . DT A 1 8 ? -4.944 -0.061 26.664 1.00 0.00 ? 8 DT A "H4'" 3 +ATOM 1378 H "H3'" . DT A 1 8 ? -3.005 2.000 27.305 1.00 0.00 ? 8 DT A "H3'" 3 +ATOM 1379 H "H2'" . DT A 1 8 ? -1.370 1.078 26.025 1.00 0.00 ? 8 DT A "H2'" 3 +ATOM 1380 H "H2''" . DT A 1 8 ? -1.195 -0.070 27.365 1.00 0.00 ? 8 DT A "H2''" 3 +ATOM 1381 H "H1'" . DT A 1 8 ? -2.863 -1.590 26.550 1.00 0.00 ? 8 DT A "H1'" 3 +ATOM 1382 H H3 . DT A 1 8 ? 0.370 -4.143 24.625 1.00 0.00 ? 8 DT A H3 3 +ATOM 1383 H H71 . DT A 1 8 ? -0.139 -0.157 21.132 1.00 0.00 ? 8 DT A H71 3 +ATOM 1384 H H72 . DT A 1 8 ? 1.129 0.416 22.224 1.00 0.00 ? 8 DT A H72 3 +ATOM 1385 H H73 . DT A 1 8 ? 1.382 -1.042 21.256 1.00 0.00 ? 8 DT A H73 3 +ATOM 1386 H H6 . DT A 1 8 ? -1.343 0.171 23.266 1.00 0.00 ? 8 DT A H6 3 +ATOM 1387 P P . DT A 1 9 ? -2.784 1.084 29.843 1.00 0.00 ? 9 DT A P 3 +ATOM 1388 O OP1 . DT A 1 9 ? -3.630 2.278 30.047 1.00 0.00 ? 9 DT A OP1 3 +ATOM 1389 O OP2 . DT A 1 9 ? -1.320 1.277 29.670 1.00 0.00 ? 9 DT A OP2 3 +ATOM 1390 O "O5'" . DT A 1 9 ? -3.083 0.072 31.087 1.00 0.00 ? 9 DT A "O5'" 3 +ATOM 1391 C "C5'" . DT A 1 9 ? -2.109 -0.798 31.663 1.00 0.00 ? 9 DT A "C5'" 3 +ATOM 1392 C "C4'" . DT A 1 9 ? -1.843 -2.081 30.850 1.00 0.00 ? 9 DT A "C4'" 3 +ATOM 1393 O "O4'" . DT A 1 9 ? -1.460 -1.698 29.545 1.00 0.00 ? 9 DT A "O4'" 3 +ATOM 1394 C "C3'" . DT A 1 9 ? -0.696 -2.942 31.413 1.00 0.00 ? 9 DT A "C3'" 3 +ATOM 1395 O "O3'" . DT A 1 9 ? -1.110 -4.058 32.183 1.00 0.00 ? 9 DT A "O3'" 3 +ATOM 1396 C "C2'" . DT A 1 9 ? -0.014 -3.438 30.143 1.00 0.00 ? 9 DT A "C2'" 3 +ATOM 1397 C "C1'" . DT A 1 9 ? -0.491 -2.560 29.005 1.00 0.00 ? 9 DT A "C1'" 3 +ATOM 1398 N N1 . DT A 1 9 ? 0.667 -1.694 28.496 1.00 0.00 ? 9 DT A N1 3 +ATOM 1399 C C2 . DT A 1 9 ? 0.886 -0.573 29.301 1.00 0.00 ? 9 DT A C2 3 +ATOM 1400 O O2 . DT A 1 9 ? 1.005 -0.611 30.516 1.00 0.00 ? 9 DT A O2 3 +ATOM 1401 N N3 . DT A 1 9 ? 1.015 0.617 28.651 1.00 0.00 ? 9 DT A N3 3 +ATOM 1402 C C4 . DT A 1 9 ? 1.305 0.722 27.315 1.00 0.00 ? 9 DT A C4 3 +ATOM 1403 O O4 . DT A 1 9 ? 1.216 1.812 26.765 1.00 0.00 ? 9 DT A O4 3 +ATOM 1404 C C5 . DT A 1 9 ? 1.717 -0.543 26.692 1.00 0.00 ? 9 DT A C5 3 +ATOM 1405 C C7 . DT A 1 9 ? 2.515 -0.532 25.389 1.00 0.00 ? 9 DT A C7 3 +ATOM 1406 C C6 . DT A 1 9 ? 1.368 -1.731 27.275 1.00 0.00 ? 9 DT A C6 3 +ATOM 1407 H "H5'" . DT A 1 9 ? -2.490 -1.109 32.636 1.00 0.00 ? 9 DT A "H5'" 3 +ATOM 1408 H "H5''" . DT A 1 9 ? -1.182 -0.249 31.840 1.00 0.00 ? 9 DT A "H5''" 3 +ATOM 1409 H "H4'" . DT A 1 9 ? -2.752 -2.680 30.781 1.00 0.00 ? 9 DT A "H4'" 3 +ATOM 1410 H "H3'" . DT A 1 9 ? -0.018 -2.305 31.985 1.00 0.00 ? 9 DT A "H3'" 3 +ATOM 1411 H "H2'" . DT A 1 9 ? 1.060 -3.382 30.270 1.00 0.00 ? 9 DT A "H2'" 3 +ATOM 1412 H "H2''" . DT A 1 9 ? -0.305 -4.456 29.895 1.00 0.00 ? 9 DT A "H2''" 3 +ATOM 1413 H "H1'" . DT A 1 9 ? -1.258 -3.118 28.423 1.00 0.00 ? 9 DT A "H1'" 3 +ATOM 1414 H H3 . DT A 1 9 ? 0.299 1.243 29.039 1.00 0.00 ? 9 DT A H3 3 +ATOM 1415 H H71 . DT A 1 9 ? 1.991 0.061 24.638 1.00 0.00 ? 9 DT A H71 3 +ATOM 1416 H H72 . DT A 1 9 ? 3.487 -0.073 25.572 1.00 0.00 ? 9 DT A H72 3 +ATOM 1417 H H73 . DT A 1 9 ? 2.686 -1.530 24.987 1.00 0.00 ? 9 DT A H73 3 +ATOM 1418 H H6 . DT A 1 9 ? 1.937 -2.577 26.847 1.00 0.00 ? 9 DT A H6 3 +ATOM 1419 P P . DU A 1 10 B -0.059 -4.873 33.105 1.00 0.00 ? 1 DU A P 3 +ATOM 1420 O OP1 . DU A 1 10 B -0.747 -6.070 33.632 1.00 0.00 ? 1 DU A OP1 3 +ATOM 1421 O OP2 . DU A 1 10 B 0.563 -3.911 34.037 1.00 0.00 ? 1 DU A OP2 3 +ATOM 1422 O "O5'" . DU A 1 10 B 1.095 -5.393 32.102 1.00 0.00 ? 1 DU A "O5'" 3 +ATOM 1423 C "C5'" . DU A 1 10 B 0.911 -6.528 31.270 1.00 0.00 ? 1 DU A "C5'" 3 +ATOM 1424 C "C4'" . DU A 1 10 B 1.977 -6.596 30.151 1.00 0.00 ? 1 DU A "C4'" 3 +ATOM 1425 O "O4'" . DU A 1 10 B 2.119 -5.334 29.488 1.00 0.00 ? 1 DU A "O4'" 3 +ATOM 1426 C "C3'" . DU A 1 10 B 3.381 -7.068 30.564 1.00 0.00 ? 1 DU A "C3'" 3 +ATOM 1427 O "O3'" . DU A 1 10 B 3.557 -8.364 29.976 1.00 0.00 ? 1 DU A "O3'" 3 +ATOM 1428 C "C2'" . DU A 1 10 B 4.333 -6.009 29.981 1.00 0.00 ? 1 DU A "C2'" 3 +ATOM 1429 C "C1'" . DU A 1 10 B 3.475 -4.984 29.257 1.00 0.00 ? 1 DU A "C1'" 3 +ATOM 1430 N N1 . DU A 1 10 B 3.741 -3.613 29.690 1.00 0.00 ? 1 DU A N1 3 +ATOM 1431 C C2 . DU A 1 10 B 4.161 -2.642 28.857 1.00 0.00 ? 1 DU A C2 3 +ATOM 1432 O O2 . DU A 1 10 B 4.386 -2.829 27.668 1.00 0.00 ? 1 DU A O2 3 +ATOM 1433 N N3 . DU A 1 10 B 4.349 -1.362 29.316 1.00 0.00 ? 1 DU A N3 3 +ATOM 1434 C C4 . DU A 1 10 B 4.159 -0.950 30.611 1.00 0.00 ? 1 DU A C4 3 +ATOM 1435 O O4 . DU A 1 10 B 4.415 0.212 30.893 1.00 0.00 ? 1 DU A O4 3 +ATOM 1436 C C5 . DU A 1 10 B 3.715 -1.983 31.528 1.00 0.00 ? 1 DU A C5 3 +ATOM 1437 C C6 . DU A 1 10 B 3.513 -3.262 31.107 1.00 0.00 ? 1 DU A C6 3 +ATOM 1438 H "H5'" . DU A 1 10 B -0.068 -6.492 30.789 1.00 0.00 ? 1 DU A "H5'" 3 +ATOM 1439 H "H5''" . DU A 1 10 B 0.958 -7.439 31.869 1.00 0.00 ? 1 DU A "H5''" 3 +ATOM 1440 H "H4'" . DU A 1 10 B 1.598 -7.285 29.382 1.00 0.00 ? 1 DU A "H4'" 3 +ATOM 1441 H "H3'" . DU A 1 10 B 3.455 -7.103 31.664 1.00 0.00 ? 1 DU A "H3'" 3 +ATOM 1442 H "H2'" . DU A 1 10 B 4.946 -5.563 30.776 1.00 0.00 ? 1 DU A "H2'" 3 +ATOM 1443 H "H2''" . DU A 1 10 B 5.011 -6.450 29.245 1.00 0.00 ? 1 DU A "H2''" 3 +ATOM 1444 H "H1'" . DU A 1 10 B 3.638 -5.102 28.175 1.00 0.00 ? 1 DU A "H1'" 3 +ATOM 1445 H H3 . DU A 1 10 B 4.648 -0.674 28.654 1.00 0.00 ? 1 DU A H3 3 +ATOM 1446 H H5 . DU A 1 10 B 3.540 -1.698 32.557 1.00 0.00 ? 1 DU A H5 3 +ATOM 1447 H H6 . DU A 1 10 B 3.168 -4.015 31.809 1.00 0.00 ? 1 DU A H6 3 +ATOM 1448 P P . DT A 1 11 B 4.961 -9.098 30.306 1.00 0.00 ? 2 DT A P 3 +ATOM 1449 O OP1 . DT A 1 11 B 4.899 -9.596 31.697 1.00 0.00 ? 2 DT A OP1 3 +ATOM 1450 O OP2 . DT A 1 11 B 6.108 -8.269 29.874 1.00 0.00 ? 2 DT A OP2 3 +ATOM 1451 O "O5'" . DT A 1 11 B 4.867 -10.360 29.304 1.00 0.00 ? 2 DT A "O5'" 3 +ATOM 1452 C "C5'" . DT A 1 11 B 4.923 -10.221 27.887 1.00 0.00 ? 2 DT A "C5'" 3 +ATOM 1453 C "C4'" . DT A 1 11 B 3.675 -9.551 27.261 1.00 0.00 ? 2 DT A "C4'" 3 +ATOM 1454 O "O4'" . DT A 1 11 B 3.776 -8.126 27.250 1.00 0.00 ? 2 DT A "O4'" 3 +ATOM 1455 C "C3'" . DT A 1 11 B 3.420 -9.970 25.797 1.00 0.00 ? 2 DT A "C3'" 3 +ATOM 1456 O "O3'" . DT A 1 11 B 2.073 -10.358 25.619 1.00 0.00 ? 2 DT A "O3'" 3 +ATOM 1457 C "C2'" . DT A 1 11 B 3.698 -8.680 25.036 1.00 0.00 ? 2 DT A "C2'" 3 +ATOM 1458 C "C1'" . DT A 1 11 B 3.210 -7.646 26.044 1.00 0.00 ? 2 DT A "C1'" 3 +ATOM 1459 N N1 . DT A 1 11 B 3.732 -6.293 25.707 1.00 0.00 ? 2 DT A N1 3 +ATOM 1460 C C2 . DT A 1 11 B 2.865 -5.410 25.059 1.00 0.00 ? 2 DT A C2 3 +ATOM 1461 O O2 . DT A 1 11 B 1.665 -5.588 24.895 1.00 0.00 ? 2 DT A O2 3 +ATOM 1462 N N3 . DT A 1 11 B 3.410 -4.248 24.587 1.00 0.00 ? 2 DT A N3 3 +ATOM 1463 C C4 . DT A 1 11 B 4.707 -3.835 24.751 1.00 0.00 ? 2 DT A C4 3 +ATOM 1464 O O4 . DT A 1 11 B 5.037 -2.767 24.253 1.00 0.00 ? 2 DT A O4 3 +ATOM 1465 C C5 . DT A 1 11 B 5.563 -4.762 25.496 1.00 0.00 ? 2 DT A C5 3 +ATOM 1466 C C7 . DT A 1 11 B 7.028 -4.438 25.793 1.00 0.00 ? 2 DT A C7 3 +ATOM 1467 C C6 . DT A 1 11 B 5.055 -5.945 25.936 1.00 0.00 ? 2 DT A C6 3 +ATOM 1468 H "H5'" . DT A 1 11 B 4.981 -11.244 27.513 1.00 0.00 ? 2 DT A "H5'" 3 +ATOM 1469 H "H5''" . DT A 1 11 B 5.831 -9.703 27.573 1.00 0.00 ? 2 DT A "H5''" 3 +ATOM 1470 H "H4'" . DT A 1 11 B 2.805 -9.843 27.854 1.00 0.00 ? 2 DT A "H4'" 3 +ATOM 1471 H "H3'" . DT A 1 11 B 4.122 -10.751 25.492 1.00 0.00 ? 2 DT A "H3'" 3 +ATOM 1472 H "H2'" . DT A 1 11 B 4.766 -8.612 24.832 1.00 0.00 ? 2 DT A "H2'" 3 +ATOM 1473 H "H2''" . DT A 1 11 B 3.149 -8.601 24.101 1.00 0.00 ? 2 DT A "H2''" 3 +ATOM 1474 H "H1'" . DT A 1 11 B 2.118 -7.681 26.130 1.00 0.00 ? 2 DT A "H1'" 3 +ATOM 1475 H H3 . DT A 1 11 B 2.827 -3.697 23.980 1.00 0.00 ? 2 DT A H3 3 +ATOM 1476 H H71 . DT A 1 11 B 7.300 -3.455 25.402 1.00 0.00 ? 2 DT A H71 3 +ATOM 1477 H H72 . DT A 1 11 B 7.194 -4.433 26.872 1.00 0.00 ? 2 DT A H72 3 +ATOM 1478 H H73 . DT A 1 11 B 7.679 -5.185 25.335 1.00 0.00 ? 2 DT A H73 3 +ATOM 1479 H H6 . DT A 1 11 B 5.724 -6.614 26.466 1.00 0.00 ? 2 DT A H6 3 +ATOM 1480 P P . DG A 1 12 B 1.647 -11.364 24.443 1.00 0.00 ? 3 DG A P 3 +ATOM 1481 O OP1 . DG A 1 12 B 0.225 -11.714 24.637 1.00 0.00 ? 3 DG A OP1 3 +ATOM 1482 O OP2 . DG A 1 12 B 2.661 -12.438 24.379 1.00 0.00 ? 3 DG A OP2 3 +ATOM 1483 O "O5'" . DG A 1 12 B 1.783 -10.481 23.101 1.00 0.00 ? 3 DG A "O5'" 3 +ATOM 1484 C "C5'" . DG A 1 12 B 0.699 -10.298 22.203 1.00 0.00 ? 3 DG A "C5'" 3 +ATOM 1485 C "C4'" . DG A 1 12 B -0.300 -9.207 22.647 1.00 0.00 ? 3 DG A "C4'" 3 +ATOM 1486 O "O4'" . DG A 1 12 B 0.293 -7.910 22.471 1.00 0.00 ? 3 DG A "O4'" 3 +ATOM 1487 C "C3'" . DG A 1 12 B -1.565 -9.253 21.754 1.00 0.00 ? 3 DG A "C3'" 3 +ATOM 1488 O "O3'" . DG A 1 12 B -2.734 -8.915 22.476 1.00 0.00 ? 3 DG A "O3'" 3 +ATOM 1489 C "C2'" . DG A 1 12 B -1.203 -8.157 20.764 1.00 0.00 ? 3 DG A "C2'" 3 +ATOM 1490 C "C1'" . DG A 1 12 B -0.630 -7.135 21.737 1.00 0.00 ? 3 DG A "C1'" 3 +ATOM 1491 N N9 . DG A 1 12 B -0.065 -5.980 21.013 1.00 0.00 ? 3 DG A N9 3 +ATOM 1492 C C8 . DG A 1 12 B 1.032 -5.938 20.202 1.00 0.00 ? 3 DG A C8 3 +ATOM 1493 N N7 . DG A 1 12 B 1.186 -4.822 19.545 1.00 0.00 ? 3 DG A N7 3 +ATOM 1494 C C5 . DG A 1 12 B 0.085 -4.057 19.944 1.00 0.00 ? 3 DG A C5 3 +ATOM 1495 C C6 . DG A 1 12 B -0.366 -2.743 19.573 1.00 0.00 ? 3 DG A C6 3 +ATOM 1496 O O6 . DG A 1 12 B 0.172 -1.919 18.844 1.00 0.00 ? 3 DG A O6 3 +ATOM 1497 N N1 . DG A 1 12 B -1.572 -2.376 20.140 1.00 0.00 ? 3 DG A N1 3 +ATOM 1498 C C2 . DG A 1 12 B -2.248 -3.162 21.011 1.00 0.00 ? 3 DG A C2 3 +ATOM 1499 N N2 . DG A 1 12 B -3.349 -2.683 21.515 1.00 0.00 ? 3 DG A N2 3 +ATOM 1500 N N3 . DG A 1 12 B -1.842 -4.358 21.421 1.00 0.00 ? 3 DG A N3 3 +ATOM 1501 C C4 . DG A 1 12 B -0.681 -4.765 20.840 1.00 0.00 ? 3 DG A C4 3 +ATOM 1502 H "H5'" . DG A 1 12 B 0.184 -11.250 22.054 1.00 0.00 ? 3 DG A "H5'" 3 +ATOM 1503 H "H5''" . DG A 1 12 B 1.122 -10.006 21.241 1.00 0.00 ? 3 DG A "H5''" 3 +ATOM 1504 H "H4'" . DG A 1 12 B -0.583 -9.365 23.690 1.00 0.00 ? 3 DG A "H4'" 3 +ATOM 1505 H "H3'" . DG A 1 12 B -1.677 -10.226 21.268 1.00 0.00 ? 3 DG A "H3'" 3 +ATOM 1506 H "H2'" . DG A 1 12 B -0.513 -8.615 20.061 1.00 0.00 ? 3 DG A "H2'" 3 +ATOM 1507 H "H2''" . DG A 1 12 B -1.980 -7.690 20.188 1.00 0.00 ? 3 DG A "H2''" 3 +ATOM 1508 H "H1'" . DG A 1 12 B -1.404 -6.779 22.423 1.00 0.00 ? 3 DG A "H1'" 3 +ATOM 1509 H H8 . DG A 1 12 B 1.687 -6.778 20.095 1.00 0.00 ? 3 DG A H8 3 +ATOM 1510 H H1 . DG A 1 12 B -1.903 -1.443 19.920 1.00 0.00 ? 3 DG A H1 3 +ATOM 1511 H H21 . DG A 1 12 B -3.705 -1.791 21.209 1.00 0.00 ? 3 DG A H21 3 +ATOM 1512 H H22 . DG A 1 12 B -3.850 -3.306 22.121 1.00 0.00 ? 3 DG A H22 3 +ATOM 1513 P P . DG A 1 13 B -4.190 -9.012 21.800 1.00 0.00 ? 4 DG A P 3 +ATOM 1514 O OP1 . DG A 1 13 B -5.195 -9.131 22.876 1.00 0.00 ? 4 DG A OP1 3 +ATOM 1515 O OP2 . DG A 1 13 B -4.127 -10.045 20.742 1.00 0.00 ? 4 DG A OP2 3 +ATOM 1516 O "O5'" . DG A 1 13 B -4.405 -7.584 21.081 1.00 0.00 ? 4 DG A "O5'" 3 +ATOM 1517 C "C5'" . DG A 1 13 B -5.060 -7.497 19.826 1.00 0.00 ? 4 DG A "C5'" 3 +ATOM 1518 C "C4'" . DG A 1 13 B -5.442 -6.051 19.456 1.00 0.00 ? 4 DG A "C4'" 3 +ATOM 1519 O "O4'" . DG A 1 13 B -4.289 -5.239 19.204 1.00 0.00 ? 4 DG A "O4'" 3 +ATOM 1520 C "C3'" . DG A 1 13 B -6.288 -6.039 18.161 1.00 0.00 ? 4 DG A "C3'" 3 +ATOM 1521 O "O3'" . DG A 1 13 B -7.391 -5.152 18.276 1.00 0.00 ? 4 DG A "O3'" 3 +ATOM 1522 C "C2'" . DG A 1 13 B -5.278 -5.473 17.172 1.00 0.00 ? 4 DG A "C2'" 3 +ATOM 1523 C "C1'" . DG A 1 13 B -4.584 -4.455 18.068 1.00 0.00 ? 4 DG A "C1'" 3 +ATOM 1524 N N9 . DG A 1 13 B -3.380 -3.871 17.445 1.00 0.00 ? 4 DG A N9 3 +ATOM 1525 C C8 . DG A 1 13 B -2.211 -4.482 17.072 1.00 0.00 ? 4 DG A C8 3 +ATOM 1526 N N7 . DG A 1 13 B -1.338 -3.678 16.528 1.00 0.00 ? 4 DG A N7 3 +ATOM 1527 C C5 . DG A 1 13 B -1.974 -2.430 16.548 1.00 0.00 ? 4 DG A C5 3 +ATOM 1528 C C6 . DG A 1 13 B -1.570 -1.123 16.101 1.00 0.00 ? 4 DG A C6 3 +ATOM 1529 O O6 . DG A 1 13 B -0.535 -0.781 15.540 1.00 0.00 ? 4 DG A O6 3 +ATOM 1530 N N1 . DG A 1 13 B -2.496 -0.125 16.344 1.00 0.00 ? 4 DG A N1 3 +ATOM 1531 C C2 . DG A 1 13 B -3.716 -0.370 16.876 1.00 0.00 ? 4 DG A C2 3 +ATOM 1532 N N2 . DG A 1 13 B -4.567 0.616 16.867 1.00 0.00 ? 4 DG A N2 3 +ATOM 1533 N N3 . DG A 1 13 B -4.154 -1.568 17.245 1.00 0.00 ? 4 DG A N3 3 +ATOM 1534 C C4 . DG A 1 13 B -3.228 -2.553 17.095 1.00 0.00 ? 4 DG A C4 3 +ATOM 1535 H "H5'" . DG A 1 13 B -5.986 -8.077 19.871 1.00 0.00 ? 4 DG A "H5'" 3 +ATOM 1536 H "H5''" . DG A 1 13 B -4.423 -7.916 19.045 1.00 0.00 ? 4 DG A "H5''" 3 +ATOM 1537 H "H4'" . DG A 1 13 B -6.019 -5.624 20.279 1.00 0.00 ? 4 DG A "H4'" 3 +ATOM 1538 H "H3'" . DG A 1 13 B -6.619 -7.041 17.874 1.00 0.00 ? 4 DG A "H3'" 3 +ATOM 1539 H "H2'" . DG A 1 13 B -4.583 -6.249 16.852 1.00 0.00 ? 4 DG A "H2'" 3 +ATOM 1540 H "H2''" . DG A 1 13 B -5.764 -5.045 16.306 1.00 0.00 ? 4 DG A "H2''" 3 +ATOM 1541 H "H1'" . DG A 1 13 B -5.276 -3.661 18.354 1.00 0.00 ? 4 DG A "H1'" 3 +ATOM 1542 H H8 . DG A 1 13 B -2.027 -5.537 17.199 1.00 0.00 ? 4 DG A H8 3 +ATOM 1543 H H1 . DG A 1 13 B -2.233 0.814 16.073 1.00 0.00 ? 4 DG A H1 3 +ATOM 1544 H H21 . DG A 1 13 B -4.299 1.530 16.538 1.00 0.00 ? 4 DG A H21 3 +ATOM 1545 H H22 . DG A 1 13 B -5.527 0.327 16.983 1.00 0.00 ? 4 DG A H22 3 +ATOM 1546 P P . DA A 1 14 B -8.561 -5.102 17.162 1.00 0.00 ? 5 DA A P 3 +ATOM 1547 O OP1 . DA A 1 14 B -9.812 -5.545 17.811 1.00 0.00 ? 5 DA A OP1 3 +ATOM 1548 O OP2 . DA A 1 14 B -8.080 -5.804 15.952 1.00 0.00 ? 5 DA A OP2 3 +ATOM 1549 O "O5'" . DA A 1 14 B -8.705 -3.534 16.796 1.00 0.00 ? 5 DA A "O5'" 3 +ATOM 1550 C "C5'" . DA A 1 14 B -7.619 -2.784 16.277 1.00 0.00 ? 5 DA A "C5'" 3 +ATOM 1551 C "C4'" . DA A 1 14 B -8.055 -1.361 15.876 1.00 0.00 ? 5 DA A "C4'" 3 +ATOM 1552 O "O4'" . DA A 1 14 B -6.885 -0.572 15.665 1.00 0.00 ? 5 DA A "O4'" 3 +ATOM 1553 C "C3'" . DA A 1 14 B -8.857 -1.332 14.562 1.00 0.00 ? 5 DA A "C3'" 3 +ATOM 1554 O "O3'" . DA A 1 14 B -9.716 -0.204 14.555 1.00 0.00 ? 5 DA A "O3'" 3 +ATOM 1555 C "C2'" . DA A 1 14 B -7.717 -1.171 13.559 1.00 0.00 ? 5 DA A "C2'" 3 +ATOM 1556 C "C1'" . DA A 1 14 B -6.806 -0.193 14.301 1.00 0.00 ? 5 DA A "C1'" 3 +ATOM 1557 N N9 . DA A 1 14 B -5.396 -0.305 13.869 1.00 0.00 ? 5 DA A N9 3 +ATOM 1558 C C8 . DA A 1 14 B -4.580 -1.413 13.864 1.00 0.00 ? 5 DA A C8 3 +ATOM 1559 N N7 . DA A 1 14 B -3.348 -1.177 13.515 1.00 0.00 ? 5 DA A N7 3 +ATOM 1560 C C5 . DA A 1 14 B -3.348 0.199 13.280 1.00 0.00 ? 5 DA A C5 3 +ATOM 1561 C C6 . DA A 1 14 B -2.363 1.141 12.918 1.00 0.00 ? 5 DA A C6 3 +ATOM 1562 N N6 . DA A 1 14 B -1.099 0.826 12.721 1.00 0.00 ? 5 DA A N6 3 +ATOM 1563 N N1 . DA A 1 14 B -2.671 2.430 12.725 1.00 0.00 ? 5 DA A N1 3 +ATOM 1564 C C2 . DA A 1 14 B -3.934 2.801 12.911 1.00 0.00 ? 5 DA A C2 3 +ATOM 1565 N N3 . DA A 1 14 B -4.955 2.032 13.275 1.00 0.00 ? 5 DA A N3 3 +ATOM 1566 C C4 . DA A 1 14 B -4.597 0.731 13.451 1.00 0.00 ? 5 DA A C4 3 +ATOM 1567 H "H5'" . DA A 1 14 B -7.176 -3.287 15.415 1.00 0.00 ? 5 DA A "H5'" 3 +ATOM 1568 H "H5''" . DA A 1 14 B -6.862 -2.697 17.056 1.00 0.00 ? 5 DA A "H5''" 3 +ATOM 1569 H "H4'" . DA A 1 14 B -8.640 -0.937 16.694 1.00 0.00 ? 5 DA A "H4'" 3 +ATOM 1570 H "H3'" . DA A 1 14 B -9.419 -2.258 14.417 1.00 0.00 ? 5 DA A "H3'" 3 +ATOM 1571 H "H2'" . DA A 1 14 B -7.249 -2.142 13.410 1.00 0.00 ? 5 DA A "H2'" 3 +ATOM 1572 H "H2''" . DA A 1 14 B -8.029 -0.787 12.593 1.00 0.00 ? 5 DA A "H2''" 3 +ATOM 1573 H "H1'" . DA A 1 14 B -7.196 0.826 14.194 1.00 0.00 ? 5 DA A "H1'" 3 +ATOM 1574 H H8 . DA A 1 14 B -4.891 -2.407 14.136 1.00 0.00 ? 5 DA A H8 3 +ATOM 1575 H H61 . DA A 1 14 B -0.465 1.561 12.451 1.00 0.00 ? 5 DA A H61 3 +ATOM 1576 H H62 . DA A 1 14 B -0.796 -0.113 12.921 1.00 0.00 ? 5 DA A H62 3 +ATOM 1577 H H2 . DA A 1 14 B -4.156 3.844 12.755 1.00 0.00 ? 5 DA A H2 3 +ATOM 1578 P P . DT A 1 15 B -10.720 0.099 13.334 1.00 0.00 ? 6 DT A P 3 +ATOM 1579 O OP1 . DT A 1 15 B -11.795 0.988 13.822 1.00 0.00 ? 6 DT A OP1 3 +ATOM 1580 O OP2 . DT A 1 15 B -11.064 -1.188 12.690 1.00 0.00 ? 6 DT A OP2 3 +ATOM 1581 O "O5'" . DT A 1 15 B -9.796 0.946 12.323 1.00 0.00 ? 6 DT A "O5'" 3 +ATOM 1582 C "C5'" . DT A 1 15 B -9.740 0.656 10.936 1.00 0.00 ? 6 DT A "C5'" 3 +ATOM 1583 C "C4'" . DT A 1 15 B -8.617 1.472 10.275 1.00 0.00 ? 6 DT A "C4'" 3 +ATOM 1584 O "O4'" . DT A 1 15 B -7.340 1.099 10.783 1.00 0.00 ? 6 DT A "O4'" 3 +ATOM 1585 C "C3'" . DT A 1 15 B -8.517 1.221 8.761 1.00 0.00 ? 6 DT A "C3'" 3 +ATOM 1586 O "O3'" . DT A 1 15 B -9.199 2.210 8.017 1.00 0.00 ? 6 DT A "O3'" 3 +ATOM 1587 C "C2'" . DT A 1 15 B -7.007 1.274 8.505 1.00 0.00 ? 6 DT A "C2'" 3 +ATOM 1588 C "C1'" . DT A 1 15 B -6.394 1.588 9.866 1.00 0.00 ? 6 DT A "C1'" 3 +ATOM 1589 N N1 . DT A 1 15 B -5.090 0.883 10.002 1.00 0.00 ? 6 DT A N1 3 +ATOM 1590 C C2 . DT A 1 15 B -3.954 1.655 9.776 1.00 0.00 ? 6 DT A C2 3 +ATOM 1591 O O2 . DT A 1 15 B -3.970 2.853 9.541 1.00 0.00 ? 6 DT A O2 3 +ATOM 1592 N N3 . DT A 1 15 B -2.750 1.010 9.803 1.00 0.00 ? 6 DT A N3 3 +ATOM 1593 C C4 . DT A 1 15 B -2.562 -0.337 9.955 1.00 0.00 ? 6 DT A C4 3 +ATOM 1594 O O4 . DT A 1 15 B -1.421 -0.770 9.846 1.00 0.00 ? 6 DT A O4 3 +ATOM 1595 C C5 . DT A 1 15 B -3.781 -1.115 10.178 1.00 0.00 ? 6 DT A C5 3 +ATOM 1596 C C7 . DT A 1 15 B -3.728 -2.630 10.377 1.00 0.00 ? 6 DT A C7 3 +ATOM 1597 C C6 . DT A 1 15 B -4.991 -0.493 10.188 1.00 0.00 ? 6 DT A C6 3 +ATOM 1598 H "H5'" . DT A 1 15 B -10.693 0.913 10.471 1.00 0.00 ? 6 DT A "H5'" 3 +ATOM 1599 H "H5''" . DT A 1 15 B -9.540 -0.405 10.767 1.00 0.00 ? 6 DT A "H5''" 3 +ATOM 1600 H "H4'" . DT A 1 15 B -8.783 2.535 10.466 1.00 0.00 ? 6 DT A "H4'" 3 +ATOM 1601 H "H3'" . DT A 1 15 B -8.908 0.225 8.535 1.00 0.00 ? 6 DT A "H3'" 3 +ATOM 1602 H "H2'" . DT A 1 15 B -6.692 0.303 8.122 1.00 0.00 ? 6 DT A "H2'" 3 +ATOM 1603 H "H2''" . DT A 1 15 B -6.706 2.049 7.810 1.00 0.00 ? 6 DT A "H2''" 3 +ATOM 1604 H "H1'" . DT A 1 15 B -6.344 2.691 9.988 1.00 0.00 ? 6 DT A "H1'" 3 +ATOM 1605 H H3 . DT A 1 15 B -1.941 1.587 9.614 1.00 0.00 ? 6 DT A H3 3 +ATOM 1606 H H71 . DT A 1 15 B -3.873 -3.138 9.422 1.00 0.00 ? 6 DT A H71 3 +ATOM 1607 H H72 . DT A 1 15 B -2.761 -2.923 10.790 1.00 0.00 ? 6 DT A H72 3 +ATOM 1608 H H73 . DT A 1 15 B -4.497 -2.963 11.077 1.00 0.00 ? 6 DT A H73 3 +ATOM 1609 H H6 . DT A 1 15 B -5.861 -1.136 10.317 1.00 0.00 ? 6 DT A H6 3 +ATOM 1610 P P . DC A 1 16 B -9.369 2.084 6.420 1.00 0.00 ? 7 DC A P 3 +ATOM 1611 O OP1 . DC A 1 16 B -10.511 2.930 6.015 1.00 0.00 ? 7 DC A OP1 3 +ATOM 1612 O OP2 . DC A 1 16 B -9.355 0.647 6.070 1.00 0.00 ? 7 DC A OP2 3 +ATOM 1613 O "O5'" . DC A 1 16 B -8.024 2.750 5.831 1.00 0.00 ? 7 DC A "O5'" 3 +ATOM 1614 C "C5'" . DC A 1 16 B -7.791 4.145 5.933 1.00 0.00 ? 7 DC A "C5'" 3 +ATOM 1615 C "C4'" . DC A 1 16 B -6.463 4.554 5.273 1.00 0.00 ? 7 DC A "C4'" 3 +ATOM 1616 O "O4'" . DC A 1 16 B -5.341 4.027 5.982 1.00 0.00 ? 7 DC A "O4'" 3 +ATOM 1617 C "C3'" . DC A 1 16 B -6.341 4.096 3.805 1.00 0.00 ? 7 DC A "C3'" 3 +ATOM 1618 O "O3'" . DC A 1 16 B -5.850 5.155 3.005 1.00 0.00 ? 7 DC A "O3'" 3 +ATOM 1619 C "C2'" . DC A 1 16 B -5.300 2.989 3.931 1.00 0.00 ? 7 DC A "C2'" 3 +ATOM 1620 C "C1'" . DC A 1 16 B -4.408 3.568 5.026 1.00 0.00 ? 7 DC A "C1'" 3 +ATOM 1621 N N1 . DC A 1 16 B -3.532 2.534 5.631 1.00 0.00 ? 7 DC A N1 3 +ATOM 1622 C C2 . DC A 1 16 B -2.148 2.699 5.574 1.00 0.00 ? 7 DC A C2 3 +ATOM 1623 O O2 . DC A 1 16 B -1.638 3.699 5.085 1.00 0.00 ? 7 DC A O2 3 +ATOM 1624 N N3 . DC A 1 16 B -1.319 1.734 6.051 1.00 0.00 ? 7 DC A N3 3 +ATOM 1625 C C4 . DC A 1 16 B -1.856 0.663 6.608 1.00 0.00 ? 7 DC A C4 3 +ATOM 1626 N N4 . DC A 1 16 B -1.016 -0.220 7.063 1.00 0.00 ? 7 DC A N4 3 +ATOM 1627 C C5 . DC A 1 16 B -3.259 0.446 6.714 1.00 0.00 ? 7 DC A C5 3 +ATOM 1628 C C6 . DC A 1 16 B -4.064 1.411 6.215 1.00 0.00 ? 7 DC A C6 3 +ATOM 1629 H "H5'" . DC A 1 16 B -7.769 4.447 6.983 1.00 0.00 ? 7 DC A "H5'" 3 +ATOM 1630 H "H5''" . DC A 1 16 B -8.596 4.689 5.432 1.00 0.00 ? 7 DC A "H5''" 3 +ATOM 1631 H "H4'" . DC A 1 16 B -6.402 5.644 5.316 1.00 0.00 ? 7 DC A "H4'" 3 +ATOM 1632 H "H3'" . DC A 1 16 B -7.295 3.723 3.421 1.00 0.00 ? 7 DC A "H3'" 3 +ATOM 1633 H "H2'" . DC A 1 16 B -5.810 2.080 4.249 1.00 0.00 ? 7 DC A "H2'" 3 +ATOM 1634 H "H2''" . DC A 1 16 B -4.761 2.800 3.006 1.00 0.00 ? 7 DC A "H2''" 3 +ATOM 1635 H "H1'" . DC A 1 16 B -3.864 4.429 4.631 1.00 0.00 ? 7 DC A "H1'" 3 +ATOM 1636 H H41 . DC A 1 16 B -0.053 0.040 6.940 1.00 0.00 ? 7 DC A H41 3 +ATOM 1637 H H42 . DC A 1 16 B -1.312 -0.930 7.709 1.00 0.00 ? 7 DC A H42 3 +ATOM 1638 H H5 . DC A 1 16 B -3.682 -0.442 7.152 1.00 0.00 ? 7 DC A H5 3 +ATOM 1639 H H6 . DC A 1 16 B -5.139 1.289 6.267 1.00 0.00 ? 7 DC A H6 3 +ATOM 1640 P P . DC A 1 17 B -5.783 5.047 1.402 1.00 0.00 ? 8 DC A P 3 +ATOM 1641 O OP1 . DC A 1 17 B -6.540 6.182 0.833 1.00 0.00 ? 8 DC A OP1 3 +ATOM 1642 O OP2 . DC A 1 17 B -6.108 3.662 1.002 1.00 0.00 ? 8 DC A OP2 3 +ATOM 1643 O "O5'" . DC A 1 17 B -4.220 5.284 1.112 1.00 0.00 ? 8 DC A "O5'" 3 +ATOM 1644 C "C5'" . DC A 1 17 B -3.611 6.544 1.336 1.00 0.00 ? 8 DC A "C5'" 3 +ATOM 1645 C "C4'" . DC A 1 17 B -2.120 6.524 0.956 1.00 0.00 ? 8 DC A "C4'" 3 +ATOM 1646 O "O4'" . DC A 1 17 B -1.413 5.612 1.791 1.00 0.00 ? 8 DC A "O4'" 3 +ATOM 1647 C "C3'" . DC A 1 17 B -1.881 6.107 -0.508 1.00 0.00 ? 8 DC A "C3'" 3 +ATOM 1648 O "O3'" . DC A 1 17 B -0.799 6.849 -1.045 1.00 0.00 ? 8 DC A "O3'" 3 +ATOM 1649 C "C2'" . DC A 1 17 B -1.518 4.637 -0.333 1.00 0.00 ? 8 DC A "C2'" 3 +ATOM 1650 C "C1'" . DC A 1 17 B -0.723 4.693 0.970 1.00 0.00 ? 8 DC A "C1'" 3 +ATOM 1651 N N1 . DC A 1 17 B -0.671 3.377 1.656 1.00 0.00 ? 8 DC A N1 3 +ATOM 1652 C C2 . DC A 1 17 B 0.572 2.827 1.954 1.00 0.00 ? 8 DC A C2 3 +ATOM 1653 O O2 . DC A 1 17 B 1.612 3.399 1.666 1.00 0.00 ? 8 DC A O2 3 +ATOM 1654 N N3 . DC A 1 17 B 0.664 1.626 2.580 1.00 0.00 ? 8 DC A N3 3 +ATOM 1655 C C4 . DC A 1 17 B -0.449 1.031 2.968 1.00 0.00 ? 8 DC A C4 3 +ATOM 1656 N N4 . DC A 1 17 B -0.298 -0.126 3.546 1.00 0.00 ? 8 DC A N4 3 +ATOM 1657 C C5 . DC A 1 17 B -1.750 1.538 2.691 1.00 0.00 ? 8 DC A C5 3 +ATOM 1658 C C6 . DC A 1 17 B -1.817 2.723 2.037 1.00 0.00 ? 8 DC A C6 3 +ATOM 1659 H "H5'" . DC A 1 17 B -3.700 6.820 2.389 1.00 0.00 ? 8 DC A "H5'" 3 +ATOM 1660 H "H5''" . DC A 1 17 B -4.107 7.309 0.734 1.00 0.00 ? 8 DC A "H5''" 3 +ATOM 1661 H "H4'" . DC A 1 17 B -1.726 7.528 1.120 1.00 0.00 ? 8 DC A "H4'" 3 +ATOM 1662 H "H3'" . DC A 1 17 B -2.787 6.240 -1.106 1.00 0.00 ? 8 DC A "H3'" 3 +ATOM 1663 H "H2'" . DC A 1 17 B -2.439 4.065 -0.233 1.00 0.00 ? 8 DC A "H2'" 3 +ATOM 1664 H "H2''" . DC A 1 17 B -0.933 4.233 -1.153 1.00 0.00 ? 8 DC A "H2''" 3 +ATOM 1665 H "H1'" . DC A 1 17 B 0.258 5.120 0.752 1.00 0.00 ? 8 DC A "H1'" 3 +ATOM 1666 H H41 . DC A 1 17 B 0.660 -0.418 3.653 1.00 0.00 ? 8 DC A H41 3 +ATOM 1667 H H42 . DC A 1 17 B -1.089 -0.661 3.846 1.00 0.00 ? 8 DC A H42 3 +ATOM 1668 H H5 . DC A 1 17 B -2.651 1.019 2.972 1.00 0.00 ? 8 DC A H5 3 +ATOM 1669 H H6 . DC A 1 17 B -2.784 3.152 1.808 1.00 0.00 ? 8 DC A H6 3 +ATOM 1670 P P . DT A 1 18 B -0.414 6.782 -2.606 1.00 0.00 ? 9 DT A P 3 +ATOM 1671 O OP1 . DT A 1 18 B 0.443 7.945 -2.920 1.00 0.00 ? 9 DT A OP1 3 +ATOM 1672 O OP2 . DT A 1 18 B -1.652 6.550 -3.380 1.00 0.00 ? 9 DT A OP2 3 +ATOM 1673 O "O5'" . DT A 1 18 B 0.491 5.458 -2.702 1.00 0.00 ? 9 DT A "O5'" 3 +ATOM 1674 C "C5'" . DT A 1 18 B 1.840 5.448 -2.265 1.00 0.00 ? 9 DT A "C5'" 3 +ATOM 1675 C "C4'" . DT A 1 18 B 2.403 4.018 -2.242 1.00 0.00 ? 9 DT A "C4'" 3 +ATOM 1676 O "O4'" . DT A 1 18 B 1.772 3.218 -1.253 1.00 0.00 ? 9 DT A "O4'" 3 +ATOM 1677 C "C3'" . DT A 1 18 B 2.212 3.247 -3.558 1.00 0.00 ? 9 DT A "C3'" 3 +ATOM 1678 O "O3'" . DT A 1 18 B 3.389 3.266 -4.340 1.00 0.00 ? 9 DT A "O3'" 3 +ATOM 1679 C "C2'" . DT A 1 18 B 1.938 1.815 -3.094 1.00 0.00 ? 9 DT A "C2'" 3 +ATOM 1680 C "C1'" . DT A 1 18 B 2.081 1.883 -1.574 1.00 0.00 ? 9 DT A "C1'" 3 +ATOM 1681 N N1 . DT A 1 18 B 1.123 0.959 -0.906 1.00 0.00 ? 9 DT A N1 3 +ATOM 1682 C C2 . DT A 1 18 B 1.672 -0.147 -0.263 1.00 0.00 ? 9 DT A C2 3 +ATOM 1683 O O2 . DT A 1 18 B 2.863 -0.422 -0.252 1.00 0.00 ? 9 DT A O2 3 +ATOM 1684 N N3 . DT A 1 18 B 0.801 -0.996 0.354 1.00 0.00 ? 9 DT A N3 3 +ATOM 1685 C C4 . DT A 1 18 B -0.561 -0.883 0.385 1.00 0.00 ? 9 DT A C4 3 +ATOM 1686 O O4 . DT A 1 18 B -1.186 -1.728 1.015 1.00 0.00 ? 9 DT A O4 3 +ATOM 1687 C C5 . DT A 1 18 B -1.103 0.256 -0.361 1.00 0.00 ? 9 DT A C5 3 +ATOM 1688 C C7 . DT A 1 18 B -2.611 0.490 -0.471 1.00 0.00 ? 9 DT A C7 3 +ATOM 1689 C C6 . DT A 1 18 B -0.257 1.127 -0.979 1.00 0.00 ? 9 DT A C6 3 +ATOM 1690 H "H5'" . DT A 1 18 B 1.922 5.865 -1.258 1.00 0.00 ? 9 DT A "H5'" 3 +ATOM 1691 H "H5''" . DT A 1 18 B 2.443 6.053 -2.945 1.00 0.00 ? 9 DT A "H5''" 3 +ATOM 1692 H "H4'" . DT A 1 18 B 3.467 4.072 -2.002 1.00 0.00 ? 9 DT A "H4'" 3 +ATOM 1693 H "H3'" . DT A 1 18 B 1.372 3.623 -4.144 1.00 0.00 ? 9 DT A "H3'" 3 +ATOM 1694 H "H2'" . DT A 1 18 B 0.924 1.553 -3.396 1.00 0.00 ? 9 DT A "H2'" 3 +ATOM 1695 H "H2''" . DT A 1 18 B 2.621 1.082 -3.508 1.00 0.00 ? 9 DT A "H2''" 3 +ATOM 1696 H "H1'" . DT A 1 18 B 3.148 1.719 -1.314 1.00 0.00 ? 9 DT A "H1'" 3 +ATOM 1697 H H3 . DT A 1 18 B 1.190 -1.845 0.737 1.00 0.00 ? 9 DT A H3 3 +ATOM 1698 H H71 . DT A 1 18 B -2.858 1.544 -0.331 1.00 0.00 ? 9 DT A H71 3 +ATOM 1699 H H72 . DT A 1 18 B -2.966 0.186 -1.455 1.00 0.00 ? 9 DT A H72 3 +ATOM 1700 H H73 . DT A 1 18 B -3.154 -0.082 0.285 1.00 0.00 ? 9 DT A H73 3 +ATOM 1701 H H6 . DT A 1 18 B -0.711 1.933 -1.555 1.00 0.00 ? 9 DT A H6 3 +ATOM 1702 O "O5'" . DA A 1 1 ? 7.940 -10.721 1.225 1.00 0.00 ? 1 DA A "O5'" 4 +ATOM 1703 C "C5'" . DA A 1 1 ? 8.652 -9.721 1.922 1.00 0.00 ? 1 DA A "C5'" 4 +ATOM 1704 C "C4'" . DA A 1 1 ? 8.630 -8.421 1.107 1.00 0.00 ? 1 DA A "C4'" 4 +ATOM 1705 O "O4'" . DA A 1 1 ? 7.276 -8.020 0.902 1.00 0.00 ? 1 DA A "O4'" 4 +ATOM 1706 C "C3'" . DA A 1 1 ? 9.346 -7.266 1.835 1.00 0.00 ? 1 DA A "C3'" 4 +ATOM 1707 O "O3'" . DA A 1 1 ? 10.155 -6.534 0.939 1.00 0.00 ? 1 DA A "O3'" 4 +ATOM 1708 C "C2'" . DA A 1 1 ? 8.161 -6.433 2.302 1.00 0.00 ? 1 DA A "C2'" 4 +ATOM 1709 C "C1'" . DA A 1 1 ? 7.204 -6.627 1.131 1.00 0.00 ? 1 DA A "C1'" 4 +ATOM 1710 N N9 . DA A 1 1 ? 5.836 -6.242 1.521 1.00 0.00 ? 1 DA A N9 4 +ATOM 1711 C C8 . DA A 1 1 ? 5.004 -6.856 2.422 1.00 0.00 ? 1 DA A C8 4 +ATOM 1712 N N7 . DA A 1 1 ? 3.855 -6.262 2.590 1.00 0.00 ? 1 DA A N7 4 +ATOM 1713 C C5 . DA A 1 1 ? 3.947 -5.155 1.736 1.00 0.00 ? 1 DA A C5 4 +ATOM 1714 C C6 . DA A 1 1 ? 3.099 -4.074 1.400 1.00 0.00 ? 1 DA A C6 4 +ATOM 1715 N N6 . DA A 1 1 ? 1.894 -3.896 1.902 1.00 0.00 ? 1 DA A N6 4 +ATOM 1716 N N1 . DA A 1 1 ? 3.470 -3.157 0.497 1.00 0.00 ? 1 DA A N1 4 +ATOM 1717 C C2 . DA A 1 1 ? 4.672 -3.277 -0.058 1.00 0.00 ? 1 DA A C2 4 +ATOM 1718 N N3 . DA A 1 1 ? 5.570 -4.232 0.162 1.00 0.00 ? 1 DA A N3 4 +ATOM 1719 C C4 . DA A 1 1 ? 5.148 -5.141 1.081 1.00 0.00 ? 1 DA A C4 4 +ATOM 1720 H "H5'" . DA A 1 1 ? 9.679 -10.053 2.075 1.00 0.00 ? 1 DA A "H5'" 4 +ATOM 1721 H "H5''" . DA A 1 1 ? 8.180 -9.560 2.893 1.00 0.00 ? 1 DA A "H5''" 4 +ATOM 1722 H "H4'" . DA A 1 1 ? 9.107 -8.602 0.141 1.00 0.00 ? 1 DA A "H4'" 4 +ATOM 1723 H "H3'" . DA A 1 1 ? 9.927 -7.649 2.678 1.00 0.00 ? 1 DA A "H3'" 4 +ATOM 1724 H "H2'" . DA A 1 1 ? 7.779 -6.861 3.228 1.00 0.00 ? 1 DA A "H2'" 4 +ATOM 1725 H "H2''" . DA A 1 1 ? 8.384 -5.382 2.463 1.00 0.00 ? 1 DA A "H2''" 4 +ATOM 1726 H "H1'" . DA A 1 1 ? 7.547 -6.112 0.228 1.00 0.00 ? 1 DA A "H1'" 4 +ATOM 1727 H H8 . DA A 1 1 ? 5.278 -7.757 2.949 1.00 0.00 ? 1 DA A H8 4 +ATOM 1728 H H61 . DA A 1 1 ? 1.382 -3.071 1.618 1.00 0.00 ? 1 DA A H61 4 +ATOM 1729 H H62 . DA A 1 1 ? 1.580 -4.499 2.641 1.00 0.00 ? 1 DA A H62 4 +ATOM 1730 H H2 . DA A 1 1 ? 4.945 -2.525 -0.779 1.00 0.00 ? 1 DA A H2 4 +ATOM 1731 H "HO5'" . DA A 1 1 ? 7.135 -10.311 0.896 1.00 0.00 ? 1 DA A "HO5'" 4 +ATOM 1732 P P . DG A 1 2 ? 11.203 -5.434 1.471 1.00 0.00 ? 2 DG A P 4 +ATOM 1733 O OP1 . DG A 1 2 ? 12.303 -5.360 0.487 1.00 0.00 ? 2 DG A OP1 4 +ATOM 1734 O OP2 . DG A 1 2 ? 11.501 -5.743 2.885 1.00 0.00 ? 2 DG A OP2 4 +ATOM 1735 O "O5'" . DG A 1 2 ? 10.376 -4.051 1.415 1.00 0.00 ? 2 DG A "O5'" 4 +ATOM 1736 C "C5'" . DG A 1 2 ? 10.159 -3.384 0.183 1.00 0.00 ? 2 DG A "C5'" 4 +ATOM 1737 C "C4'" . DG A 1 2 ? 9.432 -2.039 0.351 1.00 0.00 ? 2 DG A "C4'" 4 +ATOM 1738 O "O4'" . DG A 1 2 ? 8.067 -2.195 0.730 1.00 0.00 ? 2 DG A "O4'" 4 +ATOM 1739 C "C3'" . DG A 1 2 ? 10.074 -1.073 1.373 1.00 0.00 ? 2 DG A "C3'" 4 +ATOM 1740 O "O3'" . DG A 1 2 ? 10.272 0.183 0.746 1.00 0.00 ? 2 DG A "O3'" 4 +ATOM 1741 C "C2'" . DG A 1 2 ? 8.984 -1.020 2.445 1.00 0.00 ? 2 DG A "C2'" 4 +ATOM 1742 C "C1'" . DG A 1 2 ? 7.749 -1.096 1.560 1.00 0.00 ? 2 DG A "C1'" 4 +ATOM 1743 N N9 . DG A 1 2 ? 6.502 -1.358 2.303 1.00 0.00 ? 2 DG A N9 4 +ATOM 1744 C C8 . DG A 1 2 ? 6.190 -2.394 3.145 1.00 0.00 ? 2 DG A C8 4 +ATOM 1745 N N7 . DG A 1 2 ? 4.934 -2.437 3.497 1.00 0.00 ? 2 DG A N7 4 +ATOM 1746 C C5 . DG A 1 2 ? 4.381 -1.305 2.883 1.00 0.00 ? 2 DG A C5 4 +ATOM 1747 C C6 . DG A 1 2 ? 3.048 -0.765 2.854 1.00 0.00 ? 2 DG A C6 4 +ATOM 1748 O O6 . DG A 1 2 ? 2.019 -1.224 3.332 1.00 0.00 ? 2 DG A O6 4 +ATOM 1749 N N1 . DG A 1 2 ? 2.931 0.433 2.173 1.00 0.00 ? 2 DG A N1 4 +ATOM 1750 C C2 . DG A 1 2 ? 3.975 1.028 1.548 1.00 0.00 ? 2 DG A C2 4 +ATOM 1751 N N2 . DG A 1 2 ? 3.749 2.164 0.953 1.00 0.00 ? 2 DG A N2 4 +ATOM 1752 N N3 . DG A 1 2 ? 5.208 0.544 1.510 1.00 0.00 ? 2 DG A N3 4 +ATOM 1753 C C4 . DG A 1 2 ? 5.353 -0.620 2.197 1.00 0.00 ? 2 DG A C4 4 +ATOM 1754 H "H5'" . DG A 1 2 ? 9.575 -4.019 -0.487 1.00 0.00 ? 2 DG A "H5'" 4 +ATOM 1755 H "H5''" . DG A 1 2 ? 11.120 -3.173 -0.290 1.00 0.00 ? 2 DG A "H5''" 4 +ATOM 1756 H "H4'" . DG A 1 2 ? 9.429 -1.566 -0.634 1.00 0.00 ? 2 DG A "H4'" 4 +ATOM 1757 H "H3'" . DG A 1 2 ? 11.014 -1.460 1.773 1.00 0.00 ? 2 DG A "H3'" 4 +ATOM 1758 H "H2'" . DG A 1 2 ? 9.065 -1.901 3.082 1.00 0.00 ? 2 DG A "H2'" 4 +ATOM 1759 H "H2''" . DG A 1 2 ? 9.009 -0.119 3.055 1.00 0.00 ? 2 DG A "H2''" 4 +ATOM 1760 H "H1'" . DG A 1 2 ? 7.661 -0.189 0.955 1.00 0.00 ? 2 DG A "H1'" 4 +ATOM 1761 H H8 . DG A 1 2 ? 6.911 -3.124 3.480 1.00 0.00 ? 2 DG A H8 4 +ATOM 1762 H H1 . DG A 1 2 ? 2.005 0.843 2.130 1.00 0.00 ? 2 DG A H1 4 +ATOM 1763 H H21 . DG A 1 2 ? 2.837 2.593 0.976 1.00 0.00 ? 2 DG A H21 4 +ATOM 1764 H H22 . DG A 1 2 ? 4.556 2.592 0.540 1.00 0.00 ? 2 DG A H22 4 +ATOM 1765 P P . DG A 1 3 ? 10.800 1.474 1.543 1.00 0.00 ? 3 DG A P 4 +ATOM 1766 O OP1 . DG A 1 3 ? 11.619 2.286 0.619 1.00 0.00 ? 3 DG A OP1 4 +ATOM 1767 O OP2 . DG A 1 3 ? 11.367 1.029 2.834 1.00 0.00 ? 3 DG A OP2 4 +ATOM 1768 O "O5'" . DG A 1 3 ? 9.432 2.275 1.834 1.00 0.00 ? 3 DG A "O5'" 4 +ATOM 1769 C "C5'" . DG A 1 3 ? 9.292 3.112 2.969 1.00 0.00 ? 3 DG A "C5'" 4 +ATOM 1770 C "C4'" . DG A 1 3 ? 8.006 3.959 2.889 1.00 0.00 ? 3 DG A "C4'" 4 +ATOM 1771 O "O4'" . DG A 1 3 ? 6.838 3.139 2.928 1.00 0.00 ? 3 DG A "O4'" 4 +ATOM 1772 C "C3'" . DG A 1 3 ? 7.908 4.933 4.084 1.00 0.00 ? 3 DG A "C3'" 4 +ATOM 1773 O "O3'" . DG A 1 3 ? 7.461 6.206 3.654 1.00 0.00 ? 3 DG A "O3'" 4 +ATOM 1774 C "C2'" . DG A 1 3 ? 6.851 4.246 4.940 1.00 0.00 ? 3 DG A "C2'" 4 +ATOM 1775 C "C1'" . DG A 1 3 ? 5.931 3.701 3.855 1.00 0.00 ? 3 DG A "C1'" 4 +ATOM 1776 N N9 . DG A 1 3 ? 5.045 2.653 4.393 1.00 0.00 ? 3 DG A N9 4 +ATOM 1777 C C8 . DG A 1 3 ? 5.401 1.457 4.956 1.00 0.00 ? 3 DG A C8 4 +ATOM 1778 N N7 . DG A 1 3 ? 4.399 0.753 5.403 1.00 0.00 ? 3 DG A N7 4 +ATOM 1779 C C5 . DG A 1 3 ? 3.287 1.554 5.123 1.00 0.00 ? 3 DG A C5 4 +ATOM 1780 C C6 . DG A 1 3 ? 1.888 1.388 5.401 1.00 0.00 ? 3 DG A C6 4 +ATOM 1781 O O6 . DG A 1 3 ? 1.319 0.452 5.945 1.00 0.00 ? 3 DG A O6 4 +ATOM 1782 N N1 . DG A 1 3 ? 1.098 2.455 5.015 1.00 0.00 ? 3 DG A N1 4 +ATOM 1783 C C2 . DG A 1 3 ? 1.590 3.533 4.358 1.00 0.00 ? 3 DG A C2 4 +ATOM 1784 N N2 . DG A 1 3 ? 0.743 4.473 4.050 1.00 0.00 ? 3 DG A N2 4 +ATOM 1785 N N3 . DG A 1 3 ? 2.873 3.727 4.079 1.00 0.00 ? 3 DG A N3 4 +ATOM 1786 C C4 . DG A 1 3 ? 3.678 2.711 4.493 1.00 0.00 ? 3 DG A C4 4 +ATOM 1787 H "H5'" . DG A 1 3 ? 10.143 3.795 3.018 1.00 0.00 ? 3 DG A "H5'" 4 +ATOM 1788 H "H5''" . DG A 1 3 ? 9.274 2.505 3.877 1.00 0.00 ? 3 DG A "H5''" 4 +ATOM 1789 H "H4'" . DG A 1 3 ? 8.024 4.521 1.953 1.00 0.00 ? 3 DG A "H4'" 4 +ATOM 1790 H "H3'" . DG A 1 3 ? 8.865 5.002 4.607 1.00 0.00 ? 3 DG A "H3'" 4 +ATOM 1791 H "H2'" . DG A 1 3 ? 7.322 3.440 5.503 1.00 0.00 ? 3 DG A "H2'" 4 +ATOM 1792 H "H2''" . DG A 1 3 ? 6.329 4.913 5.622 1.00 0.00 ? 3 DG A "H2''" 4 +ATOM 1793 H "H1'" . DG A 1 3 ? 5.368 4.509 3.382 1.00 0.00 ? 3 DG A "H1'" 4 +ATOM 1794 H H8 . DG A 1 3 ? 6.428 1.137 5.039 1.00 0.00 ? 3 DG A H8 4 +ATOM 1795 H H1 . DG A 1 3 ? 0.106 2.382 5.214 1.00 0.00 ? 3 DG A H1 4 +ATOM 1796 H H21 . DG A 1 3 ? -0.226 4.406 4.323 1.00 0.00 ? 3 DG A H21 4 +ATOM 1797 H H22 . DG A 1 3 ? 1.145 5.287 3.624 1.00 0.00 ? 3 DG A H22 4 +ATOM 1798 P P . DA A 1 4 ? 7.525 7.492 4.622 1.00 0.00 ? 4 DA A P 4 +ATOM 1799 O OP1 . DA A 1 4 ? 7.522 8.698 3.767 1.00 0.00 ? 4 DA A OP1 4 +ATOM 1800 O OP2 . DA A 1 4 ? 8.625 7.278 5.586 1.00 0.00 ? 4 DA A OP2 4 +ATOM 1801 O "O5'" . DA A 1 4 ? 6.131 7.441 5.428 1.00 0.00 ? 4 DA A "O5'" 4 +ATOM 1802 C "C5'" . DA A 1 4 ? 4.955 8.041 4.908 1.00 0.00 ? 4 DA A "C5'" 4 +ATOM 1803 C "C4'" . DA A 1 4 ? 3.727 7.767 5.794 1.00 0.00 ? 4 DA A "C4'" 4 +ATOM 1804 O "O4'" . DA A 1 4 ? 3.404 6.383 5.821 1.00 0.00 ? 4 DA A "O4'" 4 +ATOM 1805 C "C3'" . DA A 1 4 ? 3.889 8.189 7.266 1.00 0.00 ? 4 DA A "C3'" 4 +ATOM 1806 O "O3'" . DA A 1 4 ? 3.311 9.461 7.495 1.00 0.00 ? 4 DA A "O3'" 4 +ATOM 1807 C "C2'" . DA A 1 4 ? 3.110 7.098 8.005 1.00 0.00 ? 4 DA A "C2'" 4 +ATOM 1808 C "C1'" . DA A 1 4 ? 2.529 6.216 6.909 1.00 0.00 ? 4 DA A "C1'" 4 +ATOM 1809 N N9 . DA A 1 4 ? 2.489 4.819 7.369 1.00 0.00 ? 4 DA A N9 4 +ATOM 1810 C C8 . DA A 1 4 ? 3.532 3.953 7.587 1.00 0.00 ? 4 DA A C8 4 +ATOM 1811 N N7 . DA A 1 4 ? 3.168 2.797 8.074 1.00 0.00 ? 4 DA A N7 4 +ATOM 1812 C C5 . DA A 1 4 ? 1.782 2.932 8.220 1.00 0.00 ? 4 DA A C5 4 +ATOM 1813 C C6 . DA A 1 4 ? 0.733 2.111 8.694 1.00 0.00 ? 4 DA A C6 4 +ATOM 1814 N N6 . DA A 1 4 ? 0.872 0.858 9.079 1.00 0.00 ? 4 DA A N6 4 +ATOM 1815 N N1 . DA A 1 4 ? -0.519 2.574 8.785 1.00 0.00 ? 4 DA A N1 4 +ATOM 1816 C C2 . DA A 1 4 ? -0.760 3.814 8.379 1.00 0.00 ? 4 DA A C2 4 +ATOM 1817 N N3 . DA A 1 4 ? 0.111 4.681 7.878 1.00 0.00 ? 4 DA A N3 4 +ATOM 1818 C C4 . DA A 1 4 ? 1.372 4.176 7.825 1.00 0.00 ? 4 DA A C4 4 +ATOM 1819 H "H5'" . DA A 1 4 ? 4.749 7.656 3.906 1.00 0.00 ? 4 DA A "H5'" 4 +ATOM 1820 H "H5''" . DA A 1 4 ? 5.096 9.122 4.845 1.00 0.00 ? 4 DA A "H5''" 4 +ATOM 1821 H "H4'" . DA A 1 4 ? 2.875 8.298 5.362 1.00 0.00 ? 4 DA A "H4'" 4 +ATOM 1822 H "H3'" . DA A 1 4 ? 4.943 8.170 7.557 1.00 0.00 ? 4 DA A "H3'" 4 +ATOM 1823 H "H2'" . DA A 1 4 ? 3.811 6.560 8.645 1.00 0.00 ? 4 DA A "H2'" 4 +ATOM 1824 H "H2''" . DA A 1 4 ? 2.288 7.462 8.602 1.00 0.00 ? 4 DA A "H2''" 4 +ATOM 1825 H "H1'" . DA A 1 4 ? 1.535 6.592 6.621 1.00 0.00 ? 4 DA A "H1'" 4 +ATOM 1826 H H8 . DA A 1 4 ? 4.568 4.204 7.397 1.00 0.00 ? 4 DA A H8 4 +ATOM 1827 H H61 . DA A 1 4 ? 0.034 0.361 9.344 1.00 0.00 ? 4 DA A H61 4 +ATOM 1828 H H62 . DA A 1 4 ? 1.769 0.415 8.979 1.00 0.00 ? 4 DA A H62 4 +ATOM 1829 H H2 . DA A 1 4 ? -1.781 4.155 8.450 1.00 0.00 ? 4 DA A H2 4 +ATOM 1830 P P . DT A 1 5 ? 3.346 10.165 8.947 1.00 0.00 ? 5 DT A P 4 +ATOM 1831 O OP1 . DT A 1 5 ? 3.201 11.622 8.744 1.00 0.00 ? 5 DT A OP1 4 +ATOM 1832 O OP2 . DT A 1 5 ? 4.510 9.636 9.689 1.00 0.00 ? 5 DT A OP2 4 +ATOM 1833 O "O5'" . DT A 1 5 ? 2.008 9.635 9.681 1.00 0.00 ? 5 DT A "O5'" 4 +ATOM 1834 C "C5'" . DT A 1 5 ? 0.720 9.964 9.185 1.00 0.00 ? 5 DT A "C5'" 4 +ATOM 1835 C "C4'" . DT A 1 5 ? -0.414 9.371 10.042 1.00 0.00 ? 5 DT A "C4'" 4 +ATOM 1836 O "O4'" . DT A 1 5 ? -0.418 7.943 10.023 1.00 0.00 ? 5 DT A "O4'" 4 +ATOM 1837 C "C3'" . DT A 1 5 ? -0.394 9.812 11.521 1.00 0.00 ? 5 DT A "C3'" 4 +ATOM 1838 O "O3'" . DT A 1 5 ? -1.674 10.289 11.898 1.00 0.00 ? 5 DT A "O3'" 4 +ATOM 1839 C "C2'" . DT A 1 5 ? -0.049 8.496 12.214 1.00 0.00 ? 5 DT A "C2'" 4 +ATOM 1840 C "C1'" . DT A 1 5 ? -0.779 7.501 11.316 1.00 0.00 ? 5 DT A "C1'" 4 +ATOM 1841 N N1 . DT A 1 5 ? -0.311 6.099 11.518 1.00 0.00 ? 5 DT A N1 4 +ATOM 1842 C C2 . DT A 1 5 ? -1.260 5.155 11.916 1.00 0.00 ? 5 DT A C2 4 +ATOM 1843 O O2 . DT A 1 5 ? -2.425 5.411 12.177 1.00 0.00 ? 5 DT A O2 4 +ATOM 1844 N N3 . DT A 1 5 ? -0.834 3.859 12.048 1.00 0.00 ? 5 DT A N3 4 +ATOM 1845 C C4 . DT A 1 5 ? 0.449 3.417 11.851 1.00 0.00 ? 5 DT A C4 4 +ATOM 1846 O O4 . DT A 1 5 ? 0.692 2.234 12.042 1.00 0.00 ? 5 DT A O4 4 +ATOM 1847 C C5 . DT A 1 5 ? 1.415 4.439 11.452 1.00 0.00 ? 5 DT A C5 4 +ATOM 1848 C C7 . DT A 1 5 ? 2.894 4.095 11.254 1.00 0.00 ? 5 DT A C7 4 +ATOM 1849 C C6 . DT A 1 5 ? 1.010 5.729 11.302 1.00 0.00 ? 5 DT A C6 4 +ATOM 1850 H "H5'" . DT A 1 5 ? 0.610 9.592 8.164 1.00 0.00 ? 5 DT A "H5'" 4 +ATOM 1851 H "H5''" . DT A 1 5 ? 0.599 11.050 9.172 1.00 0.00 ? 5 DT A "H5''" 4 +ATOM 1852 H "H4'" . DT A 1 5 ? -1.352 9.700 9.590 1.00 0.00 ? 5 DT A "H4'" 4 +ATOM 1853 H "H3'" . DT A 1 5 ? 0.373 10.571 11.694 1.00 0.00 ? 5 DT A "H3'" 4 +ATOM 1854 H "H2'" . DT A 1 5 ? 1.033 8.376 12.184 1.00 0.00 ? 5 DT A "H2'" 4 +ATOM 1855 H "H2''" . DT A 1 5 ? -0.388 8.437 13.246 1.00 0.00 ? 5 DT A "H2''" 4 +ATOM 1856 H "H1'" . DT A 1 5 ? -1.865 7.634 11.439 1.00 0.00 ? 5 DT A "H1'" 4 +ATOM 1857 H H3 . DT A 1 5 ? -1.527 3.183 12.351 1.00 0.00 ? 5 DT A H3 4 +ATOM 1858 H H71 . DT A 1 5 ? 3.029 3.023 11.097 1.00 0.00 ? 5 DT A H71 4 +ATOM 1859 H H72 . DT A 1 5 ? 3.312 4.610 10.388 1.00 0.00 ? 5 DT A H72 4 +ATOM 1860 H H73 . DT A 1 5 ? 3.460 4.390 12.139 1.00 0.00 ? 5 DT A H73 4 +ATOM 1861 H H6 . DT A 1 5 ? 1.764 6.452 11.012 1.00 0.00 ? 5 DT A H6 4 +ATOM 1862 P P . DC A 1 6 ? -1.962 10.895 13.360 1.00 0.00 ? 6 DC A P 4 +ATOM 1863 O OP1 . DC A 1 6 ? -3.113 11.816 13.259 1.00 0.00 ? 6 DC A OP1 4 +ATOM 1864 O OP2 . DC A 1 6 ? -0.681 11.375 13.923 1.00 0.00 ? 6 DC A OP2 4 +ATOM 1865 O "O5'" . DC A 1 6 ? -2.431 9.597 14.188 1.00 0.00 ? 6 DC A "O5'" 4 +ATOM 1866 C "C5'" . DC A 1 6 ? -1.941 9.322 15.489 1.00 0.00 ? 6 DC A "C5'" 4 +ATOM 1867 C "C4'" . DC A 1 6 ? -2.558 8.014 16.008 1.00 0.00 ? 6 DC A "C4'" 4 +ATOM 1868 O "O4'" . DC A 1 6 ? -2.095 6.895 15.262 1.00 0.00 ? 6 DC A "O4'" 4 +ATOM 1869 C "C3'" . DC A 1 6 ? -2.158 7.698 17.456 1.00 0.00 ? 6 DC A "C3'" 4 +ATOM 1870 O "O3'" . DC A 1 6 ? -3.090 8.196 18.394 1.00 0.00 ? 6 DC A "O3'" 4 +ATOM 1871 C "C2'" . DC A 1 6 ? -2.119 6.167 17.474 1.00 0.00 ? 6 DC A "C2'" 4 +ATOM 1872 C "C1'" . DC A 1 6 ? -2.368 5.745 16.027 1.00 0.00 ? 6 DC A "C1'" 4 +ATOM 1873 N N1 . DC A 1 6 ? -1.492 4.605 15.669 1.00 0.00 ? 6 DC A N1 4 +ATOM 1874 C C2 . DC A 1 6 ? -1.932 3.328 16.008 1.00 0.00 ? 6 DC A C2 4 +ATOM 1875 O O2 . DC A 1 6 ? -3.052 3.144 16.465 1.00 0.00 ? 6 DC A O2 4 +ATOM 1876 N N3 . DC A 1 6 ? -1.122 2.252 15.848 1.00 0.00 ? 6 DC A N3 4 +ATOM 1877 C C4 . DC A 1 6 ? 0.087 2.447 15.354 1.00 0.00 ? 6 DC A C4 4 +ATOM 1878 N N4 . DC A 1 6 ? 0.830 1.383 15.254 1.00 0.00 ? 6 DC A N4 4 +ATOM 1879 C C5 . DC A 1 6 ? 0.613 3.731 15.032 1.00 0.00 ? 6 DC A C5 4 +ATOM 1880 C C6 . DC A 1 6 ? -0.213 4.790 15.203 1.00 0.00 ? 6 DC A C6 4 +ATOM 1881 H "H5'" . DC A 1 6 ? -2.224 10.133 16.164 1.00 0.00 ? 6 DC A "H5'" 4 +ATOM 1882 H "H5''" . DC A 1 6 ? -0.852 9.230 15.484 1.00 0.00 ? 6 DC A "H5''" 4 +ATOM 1883 H "H4'" . DC A 1 6 ? -3.647 8.070 15.933 1.00 0.00 ? 6 DC A "H4'" 4 +ATOM 1884 H "H3'" . DC A 1 6 ? -1.155 8.096 17.633 1.00 0.00 ? 6 DC A "H3'" 4 +ATOM 1885 H "H2'" . DC A 1 6 ? -1.145 5.848 17.847 1.00 0.00 ? 6 DC A "H2'" 4 +ATOM 1886 H "H2''" . DC A 1 6 ? -2.911 5.743 18.091 1.00 0.00 ? 6 DC A "H2''" 4 +ATOM 1887 H "H1'" . DC A 1 6 ? -3.426 5.513 15.878 1.00 0.00 ? 6 DC A "H1'" 4 +ATOM 1888 H H41 . DC A 1 6 ? 0.359 0.533 15.526 1.00 0.00 ? 6 DC A H41 4 +ATOM 1889 H H42 . DC A 1 6 ? 1.730 1.420 14.817 1.00 0.00 ? 6 DC A H42 4 +ATOM 1890 H H5 . DC A 1 6 ? 1.619 3.875 14.673 1.00 0.00 ? 6 DC A H5 4 +ATOM 1891 H H6 . DC A 1 6 ? 0.146 5.789 14.985 1.00 0.00 ? 6 DC A H6 4 +ATOM 1892 P P . DC A 1 7 ? -2.810 8.103 19.978 1.00 0.00 ? 7 DC A P 4 +ATOM 1893 O OP1 . DC A 1 7 ? -3.570 9.183 20.639 1.00 0.00 ? 7 DC A OP1 4 +ATOM 1894 O OP2 . DC A 1 7 ? -1.349 7.995 20.180 1.00 0.00 ? 7 DC A OP2 4 +ATOM 1895 O "O5'" . DC A 1 7 ? -3.472 6.697 20.398 1.00 0.00 ? 7 DC A "O5'" 4 +ATOM 1896 C "C5'" . DC A 1 7 ? -4.871 6.490 20.297 1.00 0.00 ? 7 DC A "C5'" 4 +ATOM 1897 C "C4'" . DC A 1 7 ? -5.270 5.060 20.702 1.00 0.00 ? 7 DC A "C4'" 4 +ATOM 1898 O "O4'" . DC A 1 7 ? -4.605 4.105 19.881 1.00 0.00 ? 7 DC A "O4'" 4 +ATOM 1899 C "C3'" . DC A 1 7 ? -4.959 4.715 22.172 1.00 0.00 ? 7 DC A "C3'" 4 +ATOM 1900 O "O3'" . DC A 1 7 ? -6.025 3.955 22.715 1.00 0.00 ? 7 DC A "O3'" 4 +ATOM 1901 C "C2'" . DC A 1 7 ? -3.717 3.847 22.025 1.00 0.00 ? 7 DC A "C2'" 4 +ATOM 1902 C "C1'" . DC A 1 7 ? -4.042 3.121 20.723 1.00 0.00 ? 7 DC A "C1'" 4 +ATOM 1903 N N1 . DC A 1 7 ? -2.818 2.577 20.089 1.00 0.00 ? 7 DC A N1 4 +ATOM 1904 C C2 . DC A 1 7 ? -2.685 1.198 19.979 1.00 0.00 ? 7 DC A C2 4 +ATOM 1905 O O2 . DC A 1 7 ? -3.554 0.439 20.380 1.00 0.00 ? 7 DC A O2 4 +ATOM 1906 N N3 . DC A 1 7 ? -1.570 0.654 19.432 1.00 0.00 ? 7 DC A N3 4 +ATOM 1907 C C4 . DC A 1 7 ? -0.637 1.462 18.962 1.00 0.00 ? 7 DC A C4 4 +ATOM 1908 N N4 . DC A 1 7 ? 0.421 0.872 18.484 1.00 0.00 ? 7 DC A N4 4 +ATOM 1909 C C5 . DC A 1 7 ? -0.704 2.882 19.062 1.00 0.00 ? 7 DC A C5 4 +ATOM 1910 C C6 . DC A 1 7 ? -1.816 3.401 19.636 1.00 0.00 ? 7 DC A C6 4 +ATOM 1911 H "H5'" . DC A 1 7 ? -5.194 6.652 19.266 1.00 0.00 ? 7 DC A "H5'" 4 +ATOM 1912 H "H5''" . DC A 1 7 ? -5.402 7.195 20.940 1.00 0.00 ? 7 DC A "H5''" 4 +ATOM 1913 H "H4'" . DC A 1 7 ? -6.345 4.968 20.534 1.00 0.00 ? 7 DC A "H4'" 4 +ATOM 1914 H "H3'" . DC A 1 7 ? -4.760 5.625 22.743 1.00 0.00 ? 7 DC A "H3'" 4 +ATOM 1915 H "H2'" . DC A 1 7 ? -2.840 4.486 21.932 1.00 0.00 ? 7 DC A "H2'" 4 +ATOM 1916 H "H2''" . DC A 1 7 ? -3.584 3.152 22.854 1.00 0.00 ? 7 DC A "H2''" 4 +ATOM 1917 H "H1'" . DC A 1 7 ? -4.817 2.375 20.913 1.00 0.00 ? 7 DC A "H1'" 4 +ATOM 1918 H H41 . DC A 1 7 ? 0.391 -0.136 18.527 1.00 0.00 ? 7 DC A H41 4 +ATOM 1919 H H42 . DC A 1 7 ? 1.164 1.396 18.066 1.00 0.00 ? 7 DC A H42 4 +ATOM 1920 H H5 . DC A 1 7 ? 0.084 3.529 18.714 1.00 0.00 ? 7 DC A H5 4 +ATOM 1921 H H6 . DC A 1 7 ? -1.912 4.474 19.753 1.00 0.00 ? 7 DC A H6 4 +ATOM 1922 P P . DT A 1 8 ? -6.249 3.796 24.301 1.00 0.00 ? 8 DT A P 4 +ATOM 1923 O OP1 . DT A 1 8 ? -7.680 3.497 24.515 1.00 0.00 ? 8 DT A OP1 4 +ATOM 1924 O OP2 . DT A 1 8 ? -5.648 4.974 24.962 1.00 0.00 ? 8 DT A OP2 4 +ATOM 1925 O "O5'" . DT A 1 8 ? -5.408 2.485 24.734 1.00 0.00 ? 8 DT A "O5'" 4 +ATOM 1926 C "C5'" . DT A 1 8 ? -4.362 2.551 25.695 1.00 0.00 ? 8 DT A "C5'" 4 +ATOM 1927 C "C4'" . DT A 1 8 ? -4.015 1.158 26.256 1.00 0.00 ? 8 DT A "C4'" 4 +ATOM 1928 O "O4'" . DT A 1 8 ? -3.444 0.285 25.276 1.00 0.00 ? 8 DT A "O4'" 4 +ATOM 1929 C "C3'" . DT A 1 8 ? -3.002 1.242 27.419 1.00 0.00 ? 8 DT A "C3'" 4 +ATOM 1930 O "O3'" . DT A 1 8 ? -3.439 0.631 28.620 1.00 0.00 ? 8 DT A "O3'" 4 +ATOM 1931 C "C2'" . DT A 1 8 ? -1.820 0.476 26.839 1.00 0.00 ? 8 DT A "C2'" 4 +ATOM 1932 C "C1'" . DT A 1 8 ? -2.515 -0.545 25.944 1.00 0.00 ? 8 DT A "C1'" 4 +ATOM 1933 N N1 . DT A 1 8 ? -1.553 -1.183 24.976 1.00 0.00 ? 8 DT A N1 4 +ATOM 1934 C C2 . DT A 1 8 ? -1.194 -2.500 25.279 1.00 0.00 ? 8 DT A C2 4 +ATOM 1935 O O2 . DT A 1 8 ? -1.725 -3.179 26.142 1.00 0.00 ? 8 DT A O2 4 +ATOM 1936 N N3 . DT A 1 8 ? -0.158 -3.061 24.582 1.00 0.00 ? 8 DT A N3 4 +ATOM 1937 C C4 . DT A 1 8 ? 0.549 -2.445 23.588 1.00 0.00 ? 8 DT A C4 4 +ATOM 1938 O O4 . DT A 1 8 ? 1.500 -3.052 23.115 1.00 0.00 ? 8 DT A O4 4 +ATOM 1939 C C5 . DT A 1 8 ? 0.089 -1.105 23.223 1.00 0.00 ? 8 DT A C5 4 +ATOM 1940 C C7 . DT A 1 8 ? 0.805 -0.293 22.142 1.00 0.00 ? 8 DT A C7 4 +ATOM 1941 C C6 . DT A 1 8 ? -0.936 -0.518 23.904 1.00 0.00 ? 8 DT A C6 4 +ATOM 1942 H "H5'" . DT A 1 8 ? -4.686 3.158 26.544 1.00 0.00 ? 8 DT A "H5'" 4 +ATOM 1943 H "H5''" . DT A 1 8 ? -3.475 3.010 25.256 1.00 0.00 ? 8 DT A "H5''" 4 +ATOM 1944 H "H4'" . DT A 1 8 ? -4.936 0.704 26.629 1.00 0.00 ? 8 DT A "H4'" 4 +ATOM 1945 H "H3'" . DT A 1 8 ? -2.717 2.286 27.585 1.00 0.00 ? 8 DT A "H3'" 4 +ATOM 1946 H "H2'" . DT A 1 8 ? -1.165 1.179 26.331 1.00 0.00 ? 8 DT A "H2'" 4 +ATOM 1947 H "H2''" . DT A 1 8 ? -1.269 -0.042 27.610 1.00 0.00 ? 8 DT A "H2''" 4 +ATOM 1948 H "H1'" . DT A 1 8 ? -3.062 -1.256 26.611 1.00 0.00 ? 8 DT A "H1'" 4 +ATOM 1949 H H3 . DT A 1 8 ? 0.105 -4.005 24.821 1.00 0.00 ? 8 DT A H3 4 +ATOM 1950 H H71 . DT A 1 8 ? 0.090 0.060 21.401 1.00 0.00 ? 8 DT A H71 4 +ATOM 1951 H H72 . DT A 1 8 ? 1.300 0.570 22.589 1.00 0.00 ? 8 DT A H72 4 +ATOM 1952 H H73 . DT A 1 8 ? 1.560 -0.891 21.627 1.00 0.00 ? 8 DT A H73 4 +ATOM 1953 H H6 . DT A 1 8 ? -1.209 0.469 23.507 1.00 0.00 ? 8 DT A H6 4 +ATOM 1954 P P . DT A 1 9 ? -2.912 1.188 30.041 1.00 0.00 ? 9 DT A P 4 +ATOM 1955 O OP1 . DT A 1 9 ? -3.620 2.464 30.271 1.00 0.00 ? 9 DT A OP1 4 +ATOM 1956 O OP2 . DT A 1 9 ? -1.426 1.201 29.999 1.00 0.00 ? 9 DT A OP2 4 +ATOM 1957 O "O5'" . DT A 1 9 ? -3.449 0.139 31.171 1.00 0.00 ? 9 DT A "O5'" 4 +ATOM 1958 C "C5'" . DT A 1 9 ? -2.633 -0.850 31.797 1.00 0.00 ? 9 DT A "C5'" 4 +ATOM 1959 C "C4'" . DT A 1 9 ? -2.433 -2.131 30.962 1.00 0.00 ? 9 DT A "C4'" 4 +ATOM 1960 O "O4'" . DT A 1 9 ? -1.916 -1.757 29.702 1.00 0.00 ? 9 DT A "O4'" 4 +ATOM 1961 C "C3'" . DT A 1 9 ? -1.422 -3.118 31.581 1.00 0.00 ? 9 DT A "C3'" 4 +ATOM 1962 O "O3'" . DT A 1 9 ? -2.014 -4.188 32.297 1.00 0.00 ? 9 DT A "O3'" 4 +ATOM 1963 C "C2'" . DT A 1 9 ? -0.678 -3.645 30.356 1.00 0.00 ? 9 DT A "C2'" 4 +ATOM 1964 C "C1'" . DT A 1 9 ? -0.998 -2.703 29.211 1.00 0.00 ? 9 DT A "C1'" 4 +ATOM 1965 N N1 . DT A 1 9 ? 0.261 -1.926 28.807 1.00 0.00 ? 9 DT A N1 4 +ATOM 1966 C C2 . DT A 1 9 ? 0.540 -0.867 29.679 1.00 0.00 ? 9 DT A C2 4 +ATOM 1967 O O2 . DT A 1 9 ? 0.528 -0.951 30.897 1.00 0.00 ? 9 DT A O2 4 +ATOM 1968 N N3 . DT A 1 9 ? 0.890 0.315 29.102 1.00 0.00 ? 9 DT A N3 4 +ATOM 1969 C C4 . DT A 1 9 ? 1.316 0.432 27.805 1.00 0.00 ? 9 DT A C4 4 +ATOM 1970 O O4 . DT A 1 9 ? 1.424 1.544 27.306 1.00 0.00 ? 9 DT A O4 4 +ATOM 1971 C C5 . DT A 1 9 ? 1.612 -0.852 27.157 1.00 0.00 ? 9 DT A C5 4 +ATOM 1972 C C7 . DT A 1 9 ? 2.516 -0.896 25.922 1.00 0.00 ? 9 DT A C7 4 +ATOM 1973 C C6 . DT A 1 9 ? 1.061 -2.004 27.649 1.00 0.00 ? 9 DT A C6 4 +ATOM 1974 H "H5'" . DT A 1 9 ? -3.138 -1.147 32.717 1.00 0.00 ? 9 DT A "H5'" 4 +ATOM 1975 H "H5''" . DT A 1 9 ? -1.675 -0.414 32.084 1.00 0.00 ? 9 DT A "H5''" 4 +ATOM 1976 H "H4'" . DT A 1 9 ? -3.388 -2.635 30.805 1.00 0.00 ? 9 DT A "H4'" 4 +ATOM 1977 H "H3'" . DT A 1 9 ? -0.732 -2.569 32.223 1.00 0.00 ? 9 DT A "H3'" 4 +ATOM 1978 H "H2'" . DT A 1 9 ? 0.386 -3.658 30.570 1.00 0.00 ? 9 DT A "H2'" 4 +ATOM 1979 H "H2''" . DT A 1 9 ? -1.010 -4.643 30.073 1.00 0.00 ? 9 DT A "H2''" 4 +ATOM 1980 H "H1'" . DT A 1 9 ? -1.777 -3.179 28.573 1.00 0.00 ? 9 DT A "H1'" 4 +ATOM 1981 H H3 . DT A 1 9 ? 0.234 1.016 29.468 1.00 0.00 ? 9 DT A H3 4 +ATOM 1982 H H71 . DT A 1 9 ? 2.098 -0.265 25.136 1.00 0.00 ? 9 DT A H71 4 +ATOM 1983 H H72 . DT A 1 9 ? 3.503 -0.509 26.179 1.00 0.00 ? 9 DT A H72 4 +ATOM 1984 H H73 . DT A 1 9 ? 2.646 -1.904 25.527 1.00 0.00 ? 9 DT A H73 4 +ATOM 1985 H H6 . DT A 1 9 ? 1.537 -2.898 27.210 1.00 0.00 ? 9 DT A H6 4 +ATOM 1986 P P . DU A 1 10 B -1.104 -5.239 33.125 1.00 0.00 ? 1 DU A P 4 +ATOM 1987 O OP1 . DU A 1 10 B -1.991 -6.234 33.763 1.00 0.00 ? 1 DU A OP1 4 +ATOM 1988 O OP2 . DU A 1 10 B -0.158 -4.464 33.956 1.00 0.00 ? 1 DU A OP2 4 +ATOM 1989 O "O5'" . DU A 1 10 B -0.246 -6.002 31.989 1.00 0.00 ? 1 DU A "O5'" 4 +ATOM 1990 C "C5'" . DU A 1 10 B 1.105 -6.385 32.193 1.00 0.00 ? 1 DU A "C5'" 4 +ATOM 1991 C "C4'" . DU A 1 10 B 1.810 -6.617 30.839 1.00 0.00 ? 1 DU A "C4'" 4 +ATOM 1992 O "O4'" . DU A 1 10 B 1.819 -5.403 30.079 1.00 0.00 ? 1 DU A "O4'" 4 +ATOM 1993 C "C3'" . DU A 1 10 B 3.273 -7.079 30.973 1.00 0.00 ? 1 DU A "C3'" 4 +ATOM 1994 O "O3'" . DU A 1 10 B 3.365 -8.378 30.374 1.00 0.00 ? 1 DU A "O3'" 4 +ATOM 1995 C "C2'" . DU A 1 10 B 4.088 -6.028 30.199 1.00 0.00 ? 1 DU A "C2'" 4 +ATOM 1996 C "C1'" . DU A 1 10 B 3.095 -5.079 29.559 1.00 0.00 ? 1 DU A "C1'" 4 +ATOM 1997 N N1 . DU A 1 10 B 3.434 -3.678 29.795 1.00 0.00 ? 1 DU A N1 4 +ATOM 1998 C C2 . DU A 1 10 B 3.949 -2.867 28.851 1.00 0.00 ? 1 DU A C2 4 +ATOM 1999 O O2 . DU A 1 10 B 4.177 -3.235 27.707 1.00 0.00 ? 1 DU A O2 4 +ATOM 2000 N N3 . DU A 1 10 B 4.234 -1.556 29.140 1.00 0.00 ? 1 DU A N3 4 +ATOM 2001 C C4 . DU A 1 10 B 4.041 -0.953 30.357 1.00 0.00 ? 1 DU A C4 4 +ATOM 2002 O O4 . DU A 1 10 B 4.374 0.216 30.485 1.00 0.00 ? 1 DU A O4 4 +ATOM 2003 C C5 . DU A 1 10 B 3.483 -1.809 31.387 1.00 0.00 ? 1 DU A C5 4 +ATOM 2004 C C6 . DU A 1 10 B 3.186 -3.115 31.137 1.00 0.00 ? 1 DU A C6 4 +ATOM 2005 H "H5'" . DU A 1 10 B 1.133 -7.305 32.779 1.00 0.00 ? 1 DU A "H5'" 4 +ATOM 2006 H "H5''" . DU A 1 10 B 1.661 -5.611 32.725 1.00 0.00 ? 1 DU A "H5''" 4 +ATOM 2007 H "H4'" . DU A 1 10 B 1.228 -7.353 30.263 1.00 0.00 ? 1 DU A "H4'" 4 +ATOM 2008 H "H3'" . DU A 1 10 B 3.564 -7.105 32.036 1.00 0.00 ? 1 DU A "H3'" 4 +ATOM 2009 H "H2'" . DU A 1 10 B 4.750 -5.496 30.896 1.00 0.00 ? 1 DU A "H2'" 4 +ATOM 2010 H "H2''" . DU A 1 10 B 4.699 -6.478 29.411 1.00 0.00 ? 1 DU A "H2''" 4 +ATOM 2011 H "H1'" . DU A 1 10 B 3.048 -5.307 28.481 1.00 0.00 ? 1 DU A "H1'" 4 +ATOM 2012 H H3 . DU A 1 10 B 4.605 -0.993 28.400 1.00 0.00 ? 1 DU A H3 4 +ATOM 2013 H H5 . DU A 1 10 B 3.301 -1.370 32.358 1.00 0.00 ? 1 DU A H5 4 +ATOM 2014 H H6 . DU A 1 10 B 2.758 -3.736 31.917 1.00 0.00 ? 1 DU A H6 4 +ATOM 2015 P P . DT A 1 11 B 4.804 -9.099 30.552 1.00 0.00 ? 2 DT A P 4 +ATOM 2016 O OP1 . DT A 1 11 B 4.919 -9.514 31.967 1.00 0.00 ? 2 DT A OP1 4 +ATOM 2017 O OP2 . DT A 1 11 B 5.879 -8.284 29.943 1.00 0.00 ? 2 DT A OP2 4 +ATOM 2018 O "O5'" . DT A 1 11 B 4.616 -10.419 29.646 1.00 0.00 ? 2 DT A "O5'" 4 +ATOM 2019 C "C5'" . DT A 1 11 B 4.575 -10.372 28.223 1.00 0.00 ? 2 DT A "C5'" 4 +ATOM 2020 C "C4'" . DT A 1 11 B 3.315 -9.685 27.647 1.00 0.00 ? 2 DT A "C4'" 4 +ATOM 2021 O "O4'" . DT A 1 11 B 3.464 -8.264 27.588 1.00 0.00 ? 2 DT A "O4'" 4 +ATOM 2022 C "C3'" . DT A 1 11 B 2.982 -10.148 26.212 1.00 0.00 ? 2 DT A "C3'" 4 +ATOM 2023 O "O3'" . DT A 1 11 B 1.615 -10.489 26.106 1.00 0.00 ? 2 DT A "O3'" 4 +ATOM 2024 C "C2'" . DT A 1 11 B 3.310 -8.903 25.399 1.00 0.00 ? 2 DT A "C2'" 4 +ATOM 2025 C "C1'" . DT A 1 11 B 2.909 -7.799 26.371 1.00 0.00 ? 2 DT A "C1'" 4 +ATOM 2026 N N1 . DT A 1 11 B 3.504 -6.494 25.967 1.00 0.00 ? 2 DT A N1 4 +ATOM 2027 C C2 . DT A 1 11 B 2.676 -5.579 25.310 1.00 0.00 ? 2 DT A C2 4 +ATOM 2028 O O2 . DT A 1 11 B 1.458 -5.664 25.225 1.00 0.00 ? 2 DT A O2 4 +ATOM 2029 N N3 . DT A 1 11 B 3.283 -4.494 24.741 1.00 0.00 ? 2 DT A N3 4 +ATOM 2030 C C4 . DT A 1 11 B 4.610 -4.164 24.847 1.00 0.00 ? 2 DT A C4 4 +ATOM 2031 O O4 . DT A 1 11 B 4.992 -3.140 24.296 1.00 0.00 ? 2 DT A O4 4 +ATOM 2032 C C5 . DT A 1 11 B 5.427 -5.110 25.611 1.00 0.00 ? 2 DT A C5 4 +ATOM 2033 C C7 . DT A 1 11 B 6.921 -4.875 25.842 1.00 0.00 ? 2 DT A C7 4 +ATOM 2034 C C6 . DT A 1 11 B 4.855 -6.228 26.135 1.00 0.00 ? 2 DT A C6 4 +ATOM 2035 H "H5'" . DT A 1 11 B 4.566 -11.416 27.911 1.00 0.00 ? 2 DT A "H5'" 4 +ATOM 2036 H "H5''" . DT A 1 11 B 5.478 -9.913 27.815 1.00 0.00 ? 2 DT A "H5''" 4 +ATOM 2037 H "H4'" . DT A 1 11 B 2.470 -9.930 28.294 1.00 0.00 ? 2 DT A "H4'" 4 +ATOM 2038 H "H3'" . DT A 1 11 B 3.611 -10.989 25.911 1.00 0.00 ? 2 DT A "H3'" 4 +ATOM 2039 H "H2'" . DT A 1 11 B 4.373 -8.909 25.165 1.00 0.00 ? 2 DT A "H2'" 4 +ATOM 2040 H "H2''" . DT A 1 11 B 2.747 -8.844 24.474 1.00 0.00 ? 2 DT A "H2''" 4 +ATOM 2041 H "H1'" . DT A 1 11 B 1.819 -7.764 26.478 1.00 0.00 ? 2 DT A "H1'" 4 +ATOM 2042 H H3 . DT A 1 11 B 2.710 -3.903 24.160 1.00 0.00 ? 2 DT A H3 4 +ATOM 2043 H H71 . DT A 1 11 B 7.125 -4.824 26.913 1.00 0.00 ? 2 DT A H71 4 +ATOM 2044 H H72 . DT A 1 11 B 7.500 -5.692 25.408 1.00 0.00 ? 2 DT A H72 4 +ATOM 2045 H H73 . DT A 1 11 B 7.247 -3.939 25.385 1.00 0.00 ? 2 DT A H73 4 +ATOM 2046 H H6 . DT A 1 11 B 5.493 -6.911 26.684 1.00 0.00 ? 2 DT A H6 4 +ATOM 2047 P P . DG A 1 12 B 1.007 -11.145 24.767 1.00 0.00 ? 3 DG A P 4 +ATOM 2048 O OP1 . DG A 1 12 B 0.012 -12.157 25.176 1.00 0.00 ? 3 DG A OP1 4 +ATOM 2049 O OP2 . DG A 1 12 B 2.134 -11.531 23.890 1.00 0.00 ? 3 DG A OP2 4 +ATOM 2050 O "O5'" . DG A 1 12 B 0.226 -9.913 24.084 1.00 0.00 ? 3 DG A "O5'" 4 +ATOM 2051 C "C5'" . DG A 1 12 B -0.793 -9.224 24.789 1.00 0.00 ? 3 DG A "C5'" 4 +ATOM 2052 C "C4'" . DG A 1 12 B -1.543 -8.208 23.914 1.00 0.00 ? 3 DG A "C4'" 4 +ATOM 2053 O "O4'" . DG A 1 12 B -0.704 -7.167 23.401 1.00 0.00 ? 3 DG A "O4'" 4 +ATOM 2054 C "C3'" . DG A 1 12 B -2.306 -8.826 22.716 1.00 0.00 ? 3 DG A "C3'" 4 +ATOM 2055 O "O3'" . DG A 1 12 B -3.678 -8.467 22.758 1.00 0.00 ? 3 DG A "O3'" 4 +ATOM 2056 C "C2'" . DG A 1 12 B -1.594 -8.129 21.558 1.00 0.00 ? 3 DG A "C2'" 4 +ATOM 2057 C "C1'" . DG A 1 12 B -1.320 -6.770 22.196 1.00 0.00 ? 3 DG A "C1'" 4 +ATOM 2058 N N9 . DG A 1 12 B -0.543 -5.799 21.382 1.00 0.00 ? 3 DG A N9 4 +ATOM 2059 C C8 . DG A 1 12 B 0.689 -5.898 20.783 1.00 0.00 ? 3 DG A C8 4 +ATOM 2060 N N7 . DG A 1 12 B 1.080 -4.819 20.160 1.00 0.00 ? 3 DG A N7 4 +ATOM 2061 C C5 . DG A 1 12 B 0.018 -3.929 20.342 1.00 0.00 ? 3 DG A C5 4 +ATOM 2062 C C6 . DG A 1 12 B -0.207 -2.580 19.895 1.00 0.00 ? 3 DG A C6 4 +ATOM 2063 O O6 . DG A 1 12 B 0.527 -1.846 19.244 1.00 0.00 ? 3 DG A O6 4 +ATOM 2064 N N1 . DG A 1 12 B -1.431 -2.058 20.268 1.00 0.00 ? 3 DG A N1 4 +ATOM 2065 C C2 . DG A 1 12 B -2.359 -2.764 20.956 1.00 0.00 ? 3 DG A C2 4 +ATOM 2066 N N2 . DG A 1 12 B -3.556 -2.262 21.018 1.00 0.00 ? 3 DG A N2 4 +ATOM 2067 N N3 . DG A 1 12 B -2.197 -4.013 21.369 1.00 0.00 ? 3 DG A N3 4 +ATOM 2068 C C4 . DG A 1 12 B -0.983 -4.539 21.057 1.00 0.00 ? 3 DG A C4 4 +ATOM 2069 H "H5'" . DG A 1 12 B -0.356 -8.692 25.636 1.00 0.00 ? 3 DG A "H5'" 4 +ATOM 2070 H "H5''" . DG A 1 12 B -1.529 -9.935 25.172 1.00 0.00 ? 3 DG A "H5''" 4 +ATOM 2071 H "H4'" . DG A 1 12 B -2.273 -7.727 24.570 1.00 0.00 ? 3 DG A "H4'" 4 +ATOM 2072 H "H3'" . DG A 1 12 B -2.180 -9.911 22.677 1.00 0.00 ? 3 DG A "H3'" 4 +ATOM 2073 H "H2'" . DG A 1 12 B -0.721 -8.721 21.320 1.00 0.00 ? 3 DG A "H2'" 4 +ATOM 2074 H "H2''" . DG A 1 12 B -2.168 -8.042 20.653 1.00 0.00 ? 3 DG A "H2''" 4 +ATOM 2075 H "H1'" . DG A 1 12 B -2.268 -6.300 22.465 1.00 0.00 ? 3 DG A "H1'" 4 +ATOM 2076 H H8 . DG A 1 12 B 1.306 -6.774 20.784 1.00 0.00 ? 3 DG A H8 4 +ATOM 2077 H H1 . DG A 1 12 B -1.630 -1.115 19.956 1.00 0.00 ? 3 DG A H1 4 +ATOM 2078 H H21 . DG A 1 12 B -3.749 -1.353 20.630 1.00 0.00 ? 3 DG A H21 4 +ATOM 2079 H H22 . DG A 1 12 B -4.268 -2.952 21.197 1.00 0.00 ? 3 DG A H22 4 +ATOM 2080 P P . DG A 1 13 B -4.759 -9.089 21.734 1.00 0.00 ? 4 DG A P 4 +ATOM 2081 O OP1 . DG A 1 13 B -5.702 -9.916 22.515 1.00 0.00 ? 4 DG A OP1 4 +ATOM 2082 O OP2 . DG A 1 13 B -4.039 -9.679 20.585 1.00 0.00 ? 4 DG A OP2 4 +ATOM 2083 O "O5'" . DG A 1 13 B -5.546 -7.782 21.205 1.00 0.00 ? 4 DG A "O5'" 4 +ATOM 2084 C "C5'" . DG A 1 13 B -4.844 -6.697 20.627 1.00 0.00 ? 4 DG A "C5'" 4 +ATOM 2085 C "C4'" . DG A 1 13 B -5.785 -5.576 20.154 1.00 0.00 ? 4 DG A "C4'" 4 +ATOM 2086 O "O4'" . DG A 1 13 B -4.972 -4.439 19.878 1.00 0.00 ? 4 DG A "O4'" 4 +ATOM 2087 C "C3'" . DG A 1 13 B -6.531 -5.917 18.852 1.00 0.00 ? 4 DG A "C3'" 4 +ATOM 2088 O "O3'" . DG A 1 13 B -7.720 -5.147 18.762 1.00 0.00 ? 4 DG A "O3'" 4 +ATOM 2089 C "C2'" . DG A 1 13 B -5.505 -5.438 17.833 1.00 0.00 ? 4 DG A "C2'" 4 +ATOM 2090 C "C1'" . DG A 1 13 B -5.041 -4.140 18.496 1.00 0.00 ? 4 DG A "C1'" 4 +ATOM 2091 N N9 . DG A 1 13 B -3.722 -3.679 18.008 1.00 0.00 ? 4 DG A N9 4 +ATOM 2092 C C8 . DG A 1 13 B -2.543 -4.372 17.868 1.00 0.00 ? 4 DG A C8 4 +ATOM 2093 N N7 . DG A 1 13 B -1.582 -3.684 17.315 1.00 0.00 ? 4 DG A N7 4 +ATOM 2094 C C5 . DG A 1 13 B -2.153 -2.424 17.100 1.00 0.00 ? 4 DG A C5 4 +ATOM 2095 C C6 . DG A 1 13 B -1.624 -1.196 16.572 1.00 0.00 ? 4 DG A C6 4 +ATOM 2096 O O6 . DG A 1 13 B -0.518 -0.975 16.093 1.00 0.00 ? 4 DG A O6 4 +ATOM 2097 N N1 . DG A 1 13 B -2.500 -0.128 16.627 1.00 0.00 ? 4 DG A N1 4 +ATOM 2098 C C2 . DG A 1 13 B -3.758 -0.234 17.118 1.00 0.00 ? 4 DG A C2 4 +ATOM 2099 N N2 . DG A 1 13 B -4.508 0.829 17.072 1.00 0.00 ? 4 DG A N2 4 +ATOM 2100 N N3 . DG A 1 13 B -4.304 -1.358 17.563 1.00 0.00 ? 4 DG A N3 4 +ATOM 2101 C C4 . DG A 1 13 B -3.453 -2.418 17.543 1.00 0.00 ? 4 DG A C4 4 +ATOM 2102 H "H5'" . DG A 1 13 B -4.224 -7.038 19.796 1.00 0.00 ? 4 DG A "H5'" 4 +ATOM 2103 H "H5''" . DG A 1 13 B -4.197 -6.268 21.391 1.00 0.00 ? 4 DG A "H5''" 4 +ATOM 2104 H "H4'" . DG A 1 13 B -6.490 -5.347 20.956 1.00 0.00 ? 4 DG A "H4'" 4 +ATOM 2105 H "H3'" . DG A 1 13 B -6.743 -6.986 18.772 1.00 0.00 ? 4 DG A "H3'" 4 +ATOM 2106 H "H2'" . DG A 1 13 B -4.710 -6.176 17.757 1.00 0.00 ? 4 DG A "H2'" 4 +ATOM 2107 H "H2''" . DG A 1 13 B -5.940 -5.291 16.850 1.00 0.00 ? 4 DG A "H2''" 4 +ATOM 2108 H "H1'" . DG A 1 13 B -5.805 -3.373 18.349 1.00 0.00 ? 4 DG A "H1'" 4 +ATOM 2109 H H8 . DG A 1 13 B -2.393 -5.396 18.176 1.00 0.00 ? 4 DG A H8 4 +ATOM 2110 H H1 . DG A 1 13 B -2.130 0.771 16.341 1.00 0.00 ? 4 DG A H1 4 +ATOM 2111 H H21 . DG A 1 13 B -4.148 1.708 16.734 1.00 0.00 ? 4 DG A H21 4 +ATOM 2112 H H22 . DG A 1 13 B -5.456 0.689 17.371 1.00 0.00 ? 4 DG A H22 4 +ATOM 2113 P P . DA A 1 14 B -8.686 -5.208 17.473 1.00 0.00 ? 5 DA A P 4 +ATOM 2114 O OP1 . DA A 1 14 B -10.079 -5.057 17.945 1.00 0.00 ? 5 DA A OP1 4 +ATOM 2115 O OP2 . DA A 1 14 B -8.308 -6.388 16.667 1.00 0.00 ? 5 DA A OP2 4 +ATOM 2116 O "O5'" . DA A 1 14 B -8.291 -3.878 16.635 1.00 0.00 ? 5 DA A "O5'" 4 +ATOM 2117 C "C5'" . DA A 1 14 B -8.689 -2.589 17.080 1.00 0.00 ? 5 DA A "C5'" 4 +ATOM 2118 C "C4'" . DA A 1 14 B -8.396 -1.463 16.068 1.00 0.00 ? 5 DA A "C4'" 4 +ATOM 2119 O "O4'" . DA A 1 14 B -7.008 -1.173 15.924 1.00 0.00 ? 5 DA A "O4'" 4 +ATOM 2120 C "C3'" . DA A 1 14 B -8.958 -1.694 14.648 1.00 0.00 ? 5 DA A "C3'" 4 +ATOM 2121 O "O3'" . DA A 1 14 B -9.796 -0.620 14.263 1.00 0.00 ? 5 DA A "O3'" 4 +ATOM 2122 C "C2'" . DA A 1 14 B -7.674 -1.735 13.825 1.00 0.00 ? 5 DA A "C2'" 4 +ATOM 2123 C "C1'" . DA A 1 14 B -6.812 -0.737 14.593 1.00 0.00 ? 5 DA A "C1'" 4 +ATOM 2124 N N9 . DA A 1 14 B -5.379 -0.832 14.238 1.00 0.00 ? 5 DA A N9 4 +ATOM 2125 C C8 . DA A 1 14 B -4.574 -1.947 14.176 1.00 0.00 ? 5 DA A C8 4 +ATOM 2126 N N7 . DA A 1 14 B -3.349 -1.709 13.805 1.00 0.00 ? 5 DA A N7 4 +ATOM 2127 C C5 . DA A 1 14 B -3.340 -0.325 13.622 1.00 0.00 ? 5 DA A C5 4 +ATOM 2128 C C6 . DA A 1 14 B -2.362 0.613 13.238 1.00 0.00 ? 5 DA A C6 4 +ATOM 2129 N N6 . DA A 1 14 B -1.132 0.269 12.925 1.00 0.00 ? 5 DA A N6 4 +ATOM 2130 N N1 . DA A 1 14 B -2.645 1.919 13.130 1.00 0.00 ? 5 DA A N1 4 +ATOM 2131 C C2 . DA A 1 14 B -3.878 2.307 13.444 1.00 0.00 ? 5 DA A C2 4 +ATOM 2132 N N3 . DA A 1 14 B -4.893 1.540 13.831 1.00 0.00 ? 5 DA A N3 4 +ATOM 2133 C C4 . DA A 1 14 B -4.565 0.220 13.892 1.00 0.00 ? 5 DA A C4 4 +ATOM 2134 H "H5'" . DA A 1 14 B -8.191 -2.355 18.023 1.00 0.00 ? 5 DA A "H5'" 4 +ATOM 2135 H "H5''" . DA A 1 14 B -9.768 -2.583 17.252 1.00 0.00 ? 5 DA A "H5''" 4 +ATOM 2136 H "H4'" . DA A 1 14 B -8.855 -0.560 16.476 1.00 0.00 ? 5 DA A "H4'" 4 +ATOM 2137 H "H3'" . DA A 1 14 B -9.489 -2.647 14.589 1.00 0.00 ? 5 DA A "H3'" 4 +ATOM 2138 H "H2'" . DA A 1 14 B -7.288 -2.752 13.875 1.00 0.00 ? 5 DA A "H2'" 4 +ATOM 2139 H "H2''" . DA A 1 14 B -7.809 -1.448 12.783 1.00 0.00 ? 5 DA A "H2''" 4 +ATOM 2140 H "H1'" . DA A 1 14 B -7.199 0.282 14.467 1.00 0.00 ? 5 DA A "H1'" 4 +ATOM 2141 H H8 . DA A 1 14 B -4.892 -2.953 14.392 1.00 0.00 ? 5 DA A H8 4 +ATOM 2142 H H61 . DA A 1 14 B -0.498 1.003 12.657 1.00 0.00 ? 5 DA A H61 4 +ATOM 2143 H H62 . DA A 1 14 B -0.850 -0.690 13.035 1.00 0.00 ? 5 DA A H62 4 +ATOM 2144 H H2 . DA A 1 14 B -4.080 3.363 13.365 1.00 0.00 ? 5 DA A H2 4 +ATOM 2145 P P . DT A 1 15 B -10.559 -0.606 12.846 1.00 0.00 ? 6 DT A P 4 +ATOM 2146 O OP1 . DT A 1 15 B -11.804 0.175 13.007 1.00 0.00 ? 6 DT A OP1 4 +ATOM 2147 O OP2 . DT A 1 15 B -10.614 -1.989 12.329 1.00 0.00 ? 6 DT A OP2 4 +ATOM 2148 O "O5'" . DT A 1 15 B -9.549 0.241 11.921 1.00 0.00 ? 6 DT A "O5'" 4 +ATOM 2149 C "C5'" . DT A 1 15 B -9.428 1.645 12.076 1.00 0.00 ? 6 DT A "C5'" 4 +ATOM 2150 C "C4'" . DT A 1 15 B -8.312 2.239 11.202 1.00 0.00 ? 6 DT A "C4'" 4 +ATOM 2151 O "O4'" . DT A 1 15 B -7.036 1.715 11.544 1.00 0.00 ? 6 DT A "O4'" 4 +ATOM 2152 C "C3'" . DT A 1 15 B -8.464 1.993 9.691 1.00 0.00 ? 6 DT A "C3'" 4 +ATOM 2153 O "O3'" . DT A 1 15 B -9.105 3.084 9.057 1.00 0.00 ? 6 DT A "O3'" 4 +ATOM 2154 C "C2'" . DT A 1 15 B -7.005 1.878 9.233 1.00 0.00 ? 6 DT A "C2'" 4 +ATOM 2155 C "C1'" . DT A 1 15 B -6.178 2.096 10.497 1.00 0.00 ? 6 DT A "C1'" 4 +ATOM 2156 N N1 . DT A 1 15 B -4.945 1.261 10.450 1.00 0.00 ? 6 DT A N1 4 +ATOM 2157 C C2 . DT A 1 15 B -3.769 1.939 10.139 1.00 0.00 ? 6 DT A C2 4 +ATOM 2158 O O2 . DT A 1 15 B -3.678 3.150 10.012 1.00 0.00 ? 6 DT A O2 4 +ATOM 2159 N N3 . DT A 1 15 B -2.652 1.181 9.938 1.00 0.00 ? 6 DT A N3 4 +ATOM 2160 C C4 . DT A 1 15 B -2.598 -0.183 9.918 1.00 0.00 ? 6 DT A C4 4 +ATOM 2161 O O4 . DT A 1 15 B -1.551 -0.701 9.546 1.00 0.00 ? 6 DT A O4 4 +ATOM 2162 C C5 . DT A 1 15 B -3.843 -0.859 10.289 1.00 0.00 ? 6 DT A C5 4 +ATOM 2163 C C7 . DT A 1 15 B -3.928 -2.385 10.358 1.00 0.00 ? 6 DT A C7 4 +ATOM 2164 C C6 . DT A 1 15 B -4.967 -0.129 10.536 1.00 0.00 ? 6 DT A C6 4 +ATOM 2165 H "H5'" . DT A 1 15 B -9.204 1.888 13.117 1.00 0.00 ? 6 DT A "H5'" 4 +ATOM 2166 H "H5''" . DT A 1 15 B -10.370 2.125 11.801 1.00 0.00 ? 6 DT A "H5''" 4 +ATOM 2167 H "H4'" . DT A 1 15 B -8.290 3.317 11.383 1.00 0.00 ? 6 DT A "H4'" 4 +ATOM 2168 H "H3'" . DT A 1 15 B -8.999 1.055 9.519 1.00 0.00 ? 6 DT A "H3'" 4 +ATOM 2169 H "H2'" . DT A 1 15 B -6.859 0.887 8.804 1.00 0.00 ? 6 DT A "H2'" 4 +ATOM 2170 H "H2''" . DT A 1 15 B -6.720 2.633 8.507 1.00 0.00 ? 6 DT A "H2''" 4 +ATOM 2171 H "H1'" . DT A 1 15 B -5.995 3.184 10.610 1.00 0.00 ? 6 DT A "H1'" 4 +ATOM 2172 H H3 . DT A 1 15 B -1.832 1.693 9.644 1.00 0.00 ? 6 DT A H3 4 +ATOM 2173 H H71 . DT A 1 15 B -2.945 -2.842 10.229 1.00 0.00 ? 6 DT A H71 4 +ATOM 2174 H H72 . DT A 1 15 B -4.317 -2.699 11.328 1.00 0.00 ? 6 DT A H72 4 +ATOM 2175 H H73 . DT A 1 15 B -4.590 -2.759 9.575 1.00 0.00 ? 6 DT A H73 4 +ATOM 2176 H H6 . DT A 1 15 B -5.872 -0.692 10.770 1.00 0.00 ? 6 DT A H6 4 +ATOM 2177 P P . DC A 1 16 B -9.448 3.061 7.482 1.00 0.00 ? 7 DC A P 4 +ATOM 2178 O OP1 . DC A 1 16 B -10.561 4.004 7.245 1.00 0.00 ? 7 DC A OP1 4 +ATOM 2179 O OP2 . DC A 1 16 B -9.568 1.652 7.051 1.00 0.00 ? 7 DC A OP2 4 +ATOM 2180 O "O5'" . DC A 1 16 B -8.126 3.677 6.793 1.00 0.00 ? 7 DC A "O5'" 4 +ATOM 2181 C "C5'" . DC A 1 16 B -7.745 5.024 7.015 1.00 0.00 ? 7 DC A "C5'" 4 +ATOM 2182 C "C4'" . DC A 1 16 B -6.480 5.401 6.223 1.00 0.00 ? 7 DC A "C4'" 4 +ATOM 2183 O "O4'" . DC A 1 16 B -5.332 4.690 6.683 1.00 0.00 ? 7 DC A "O4'" 4 +ATOM 2184 C "C3'" . DC A 1 16 B -6.604 5.147 4.708 1.00 0.00 ? 7 DC A "C3'" 4 +ATOM 2185 O "O3'" . DC A 1 16 B -6.160 6.285 3.994 1.00 0.00 ? 7 DC A "O3'" 4 +ATOM 2186 C "C2'" . DC A 1 16 B -5.659 3.962 4.525 1.00 0.00 ? 7 DC A "C2'" 4 +ATOM 2187 C "C1'" . DC A 1 16 B -4.582 4.297 5.549 1.00 0.00 ? 7 DC A "C1'" 4 +ATOM 2188 N N1 . DC A 1 16 B -3.757 3.108 5.878 1.00 0.00 ? 7 DC A N1 4 +ATOM 2189 C C2 . DC A 1 16 B -2.418 3.085 5.493 1.00 0.00 ? 7 DC A C2 4 +ATOM 2190 O O2 . DC A 1 16 B -1.920 4.006 4.860 1.00 0.00 ? 7 DC A O2 4 +ATOM 2191 N N3 . DC A 1 16 B -1.627 2.024 5.805 1.00 0.00 ? 7 DC A N3 4 +ATOM 2192 C C4 . DC A 1 16 B -2.160 1.021 6.480 1.00 0.00 ? 7 DC A C4 4 +ATOM 2193 N N4 . DC A 1 16 B -1.355 0.036 6.759 1.00 0.00 ? 7 DC A N4 4 +ATOM 2194 C C5 . DC A 1 16 B -3.533 0.961 6.853 1.00 0.00 ? 7 DC A C5 4 +ATOM 2195 C C6 . DC A 1 16 B -4.299 2.030 6.535 1.00 0.00 ? 7 DC A C6 4 +ATOM 2196 H "H5'" . DC A 1 16 B -7.554 5.190 8.078 1.00 0.00 ? 7 DC A "H5'" 4 +ATOM 2197 H "H5''" . DC A 1 16 B -8.550 5.691 6.699 1.00 0.00 ? 7 DC A "H5''" 4 +ATOM 2198 H "H4'" . DC A 1 16 B -6.300 6.464 6.396 1.00 0.00 ? 7 DC A "H4'" 4 +ATOM 2199 H "H3'" . DC A 1 16 B -7.631 4.893 4.431 1.00 0.00 ? 7 DC A "H3'" 4 +ATOM 2200 H "H2'" . DC A 1 16 B -6.195 3.049 4.787 1.00 0.00 ? 7 DC A "H2'" 4 +ATOM 2201 H "H2''" . DC A 1 16 B -5.259 3.881 3.515 1.00 0.00 ? 7 DC A "H2''" 4 +ATOM 2202 H "H1'" . DC A 1 16 B -4.000 5.158 5.210 1.00 0.00 ? 7 DC A "H1'" 4 +ATOM 2203 H H41 . DC A 1 16 B -0.407 0.216 6.474 1.00 0.00 ? 7 DC A H41 4 +ATOM 2204 H H42 . DC A 1 16 B -1.591 -0.611 7.493 1.00 0.00 ? 7 DC A H42 4 +ATOM 2205 H H5 . DC A 1 16 B -3.969 0.110 7.348 1.00 0.00 ? 7 DC A H5 4 +ATOM 2206 H H6 . DC A 1 16 B -5.351 2.033 6.792 1.00 0.00 ? 7 DC A H6 4 +ATOM 2207 P P . DC A 1 17 B -6.264 6.373 2.394 1.00 0.00 ? 8 DC A P 4 +ATOM 2208 O OP1 . DC A 1 17 B -6.767 7.713 2.027 1.00 0.00 ? 8 DC A OP1 4 +ATOM 2209 O OP2 . DC A 1 17 B -6.956 5.164 1.896 1.00 0.00 ? 8 DC A OP2 4 +ATOM 2210 O "O5'" . DC A 1 17 B -4.726 6.279 1.940 1.00 0.00 ? 8 DC A "O5'" 4 +ATOM 2211 C "C5'" . DC A 1 17 B -4.377 5.826 0.646 1.00 0.00 ? 8 DC A "C5'" 4 +ATOM 2212 C "C4'" . DC A 1 17 B -2.876 6.030 0.372 1.00 0.00 ? 8 DC A "C4'" 4 +ATOM 2213 O "O4'" . DC A 1 17 B -2.089 5.287 1.298 1.00 0.00 ? 8 DC A "O4'" 4 +ATOM 2214 C "C3'" . DC A 1 17 B -2.517 5.528 -1.038 1.00 0.00 ? 8 DC A "C3'" 4 +ATOM 2215 O "O3'" . DC A 1 17 B -1.513 6.341 -1.614 1.00 0.00 ? 8 DC A "O3'" 4 +ATOM 2216 C "C2'" . DC A 1 17 B -1.997 4.129 -0.727 1.00 0.00 ? 8 DC A "C2'" 4 +ATOM 2217 C "C1'" . DC A 1 17 B -1.277 4.367 0.597 1.00 0.00 ? 8 DC A "C1'" 4 +ATOM 2218 N N1 . DC A 1 17 B -1.167 3.114 1.386 1.00 0.00 ? 8 DC A N1 4 +ATOM 2219 C C2 . DC A 1 17 B 0.073 2.489 1.478 1.00 0.00 ? 8 DC A C2 4 +ATOM 2220 O O2 . DC A 1 17 B 1.058 2.947 0.919 1.00 0.00 ? 8 DC A O2 4 +ATOM 2221 N N3 . DC A 1 17 B 0.222 1.343 2.193 1.00 0.00 ? 8 DC A N3 4 +ATOM 2222 C C4 . DC A 1 17 B -0.840 0.840 2.800 1.00 0.00 ? 8 DC A C4 4 +ATOM 2223 N N4 . DC A 1 17 B -0.633 -0.232 3.510 1.00 0.00 ? 8 DC A N4 4 +ATOM 2224 C C5 . DC A 1 17 B -2.141 1.414 2.719 1.00 0.00 ? 8 DC A C5 4 +ATOM 2225 C C6 . DC A 1 17 B -2.260 2.561 2.009 1.00 0.00 ? 8 DC A C6 4 +ATOM 2226 H "H5'" . DC A 1 17 B -4.939 6.393 -0.101 1.00 0.00 ? 8 DC A "H5'" 4 +ATOM 2227 H "H5''" . DC A 1 17 B -4.629 4.768 0.546 1.00 0.00 ? 8 DC A "H5''" 4 +ATOM 2228 H "H4'" . DC A 1 17 B -2.651 7.094 0.466 1.00 0.00 ? 8 DC A "H4'" 4 +ATOM 2229 H "H3'" . DC A 1 17 B -3.409 5.494 -1.668 1.00 0.00 ? 8 DC A "H3'" 4 +ATOM 2230 H "H2'" . DC A 1 17 B -2.845 3.455 -0.602 1.00 0.00 ? 8 DC A "H2'" 4 +ATOM 2231 H "H2''" . DC A 1 17 B -1.327 3.746 -1.494 1.00 0.00 ? 8 DC A "H2''" 4 +ATOM 2232 H "H1'" . DC A 1 17 B -0.320 4.859 0.409 1.00 0.00 ? 8 DC A "H1'" 4 +ATOM 2233 H H41 . DC A 1 17 B 0.324 -0.549 3.524 1.00 0.00 ? 8 DC A H41 4 +ATOM 2234 H H42 . DC A 1 17 B -1.350 -0.602 4.101 1.00 0.00 ? 8 DC A H42 4 +ATOM 2235 H H5 . DC A 1 17 B -2.999 0.983 3.208 1.00 0.00 ? 8 DC A H5 4 +ATOM 2236 H H6 . DC A 1 17 B -3.227 3.047 1.933 1.00 0.00 ? 8 DC A H6 4 +ATOM 2237 P P . DT A 1 18 B -1.173 6.265 -3.185 1.00 0.00 ? 9 DT A P 4 +ATOM 2238 O OP1 . DT A 1 18 B -0.533 7.538 -3.580 1.00 0.00 ? 9 DT A OP1 4 +ATOM 2239 O OP2 . DT A 1 18 B -2.382 5.799 -3.898 1.00 0.00 ? 9 DT A OP2 4 +ATOM 2240 O "O5'" . DT A 1 18 B -0.071 5.101 -3.275 1.00 0.00 ? 9 DT A "O5'" 4 +ATOM 2241 C "C5'" . DT A 1 18 B 1.309 5.370 -3.085 1.00 0.00 ? 9 DT A "C5'" 4 +ATOM 2242 C "C4'" . DT A 1 18 B 2.138 4.079 -3.184 1.00 0.00 ? 9 DT A "C4'" 4 +ATOM 2243 O "O4'" . DT A 1 18 B 1.856 3.201 -2.106 1.00 0.00 ? 9 DT A "O4'" 4 +ATOM 2244 C "C3'" . DT A 1 18 B 1.860 3.266 -4.459 1.00 0.00 ? 9 DT A "C3'" 4 +ATOM 2245 O "O3'" . DT A 1 18 B 2.877 3.462 -5.421 1.00 0.00 ? 9 DT A "O3'" 4 +ATOM 2246 C "C2'" . DT A 1 18 B 1.903 1.815 -3.977 1.00 0.00 ? 9 DT A "C2'" 4 +ATOM 2247 C "C1'" . DT A 1 18 B 2.296 1.926 -2.505 1.00 0.00 ? 9 DT A "C1'" 4 +ATOM 2248 N N1 . DT A 1 18 B 1.615 0.881 -1.693 1.00 0.00 ? 9 DT A N1 4 +ATOM 2249 C C2 . DT A 1 18 B 2.427 -0.112 -1.155 1.00 0.00 ? 9 DT A C2 4 +ATOM 2250 O O2 . DT A 1 18 B 3.624 -0.219 -1.374 1.00 0.00 ? 9 DT A O2 4 +ATOM 2251 N N3 . DT A 1 18 B 1.825 -1.036 -0.352 1.00 0.00 ? 9 DT A N3 4 +ATOM 2252 C C4 . DT A 1 18 B 0.495 -1.078 -0.027 1.00 0.00 ? 9 DT A C4 4 +ATOM 2253 O O4 . DT A 1 18 B 0.127 -1.948 0.751 1.00 0.00 ? 9 DT A O4 4 +ATOM 2254 C C5 . DT A 1 18 B -0.340 -0.077 -0.698 1.00 0.00 ? 9 DT A C5 4 +ATOM 2255 C C7 . DT A 1 18 B -1.862 -0.077 -0.537 1.00 0.00 ? 9 DT A C7 4 +ATOM 2256 C C6 . DT A 1 18 B 0.237 0.858 -1.503 1.00 0.00 ? 9 DT A C6 4 +ATOM 2257 H "H5'" . DT A 1 18 B 1.477 5.825 -2.106 1.00 0.00 ? 9 DT A "H5'" 4 +ATOM 2258 H "H5''" . DT A 1 18 B 1.658 6.057 -3.858 1.00 0.00 ? 9 DT A "H5''" 4 +ATOM 2259 H "H4'" . DT A 1 18 B 3.198 4.340 -3.137 1.00 0.00 ? 9 DT A "H4'" 4 +ATOM 2260 H "H3'" . DT A 1 18 B 0.888 3.490 -4.901 1.00 0.00 ? 9 DT A "H3'" 4 +ATOM 2261 H "H2'" . DT A 1 18 B 0.907 1.392 -4.100 1.00 0.00 ? 9 DT A "H2'" 4 +ATOM 2262 H "H2''" . DT A 1 18 B 2.609 1.193 -4.515 1.00 0.00 ? 9 DT A "H2''" 4 +ATOM 2263 H "H1'" . DT A 1 18 B 3.405 1.927 -2.439 1.00 0.00 ? 9 DT A "H1'" 4 +ATOM 2264 H H3 . DT A 1 18 B 2.424 -1.758 0.022 1.00 0.00 ? 9 DT A H3 4 +ATOM 2265 H H71 . DT A 1 18 B -2.321 -0.570 -1.394 1.00 0.00 ? 9 DT A H71 4 +ATOM 2266 H H72 . DT A 1 18 B -2.157 -0.611 0.369 1.00 0.00 ? 9 DT A H72 4 +ATOM 2267 H H73 . DT A 1 18 B -2.249 0.941 -0.470 1.00 0.00 ? 9 DT A H73 4 +ATOM 2268 H H6 . DT A 1 18 B -0.424 1.566 -2.001 1.00 0.00 ? 9 DT A H6 4 +ATOM 2269 O "O5'" . DA A 1 1 ? 7.919 -10.818 1.488 1.00 0.00 ? 1 DA A "O5'" 5 +ATOM 2270 C "C5'" . DA A 1 1 ? 8.637 -9.813 2.170 1.00 0.00 ? 1 DA A "C5'" 5 +ATOM 2271 C "C4'" . DA A 1 1 ? 8.615 -8.522 1.340 1.00 0.00 ? 1 DA A "C4'" 5 +ATOM 2272 O "O4'" . DA A 1 1 ? 7.261 -8.119 1.137 1.00 0.00 ? 1 DA A "O4'" 5 +ATOM 2273 C "C3'" . DA A 1 1 ? 9.338 -7.361 2.051 1.00 0.00 ? 1 DA A "C3'" 5 +ATOM 2274 O "O3'" . DA A 1 1 ? 10.138 -6.638 1.139 1.00 0.00 ? 1 DA A "O3'" 5 +ATOM 2275 C "C2'" . DA A 1 1 ? 8.157 -6.522 2.517 1.00 0.00 ? 1 DA A "C2'" 5 +ATOM 2276 C "C1'" . DA A 1 1 ? 7.198 -6.724 1.351 1.00 0.00 ? 1 DA A "C1'" 5 +ATOM 2277 N N9 . DA A 1 1 ? 5.835 -6.319 1.736 1.00 0.00 ? 1 DA A N9 5 +ATOM 2278 C C8 . DA A 1 1 ? 4.996 -6.913 2.644 1.00 0.00 ? 1 DA A C8 5 +ATOM 2279 N N7 . DA A 1 1 ? 3.856 -6.300 2.807 1.00 0.00 ? 1 DA A N7 5 +ATOM 2280 C C5 . DA A 1 1 ? 3.963 -5.202 1.944 1.00 0.00 ? 1 DA A C5 5 +ATOM 2281 C C6 . DA A 1 1 ? 3.133 -4.112 1.597 1.00 0.00 ? 1 DA A C6 5 +ATOM 2282 N N6 . DA A 1 1 ? 1.928 -3.912 2.094 1.00 0.00 ? 1 DA A N6 5 +ATOM 2283 N N1 . DA A 1 1 ? 3.518 -3.208 0.687 1.00 0.00 ? 1 DA A N1 5 +ATOM 2284 C C2 . DA A 1 1 ? 4.718 -3.351 0.134 1.00 0.00 ? 1 DA A C2 5 +ATOM 2285 N N3 . DA A 1 1 ? 5.601 -4.318 0.361 1.00 0.00 ? 1 DA A N3 5 +ATOM 2286 C C4 . DA A 1 1 ? 5.165 -5.212 1.288 1.00 0.00 ? 1 DA A C4 5 +ATOM 2287 H "H5'" . DA A 1 1 ? 9.664 -10.146 2.321 1.00 0.00 ? 1 DA A "H5'" 5 +ATOM 2288 H "H5''" . DA A 1 1 ? 8.170 -9.639 3.141 1.00 0.00 ? 1 DA A "H5''" 5 +ATOM 2289 H "H4'" . DA A 1 1 ? 9.087 -8.716 0.374 1.00 0.00 ? 1 DA A "H4'" 5 +ATOM 2290 H "H3'" . DA A 1 1 ? 9.927 -7.736 2.893 1.00 0.00 ? 1 DA A "H3'" 5 +ATOM 2291 H "H2'" . DA A 1 1 ? 7.774 -6.944 3.446 1.00 0.00 ? 1 DA A "H2'" 5 +ATOM 2292 H "H2''" . DA A 1 1 ? 8.384 -5.471 2.672 1.00 0.00 ? 1 DA A "H2''" 5 +ATOM 2293 H "H1'" . DA A 1 1 ? 7.545 -6.221 0.442 1.00 0.00 ? 1 DA A "H1'" 5 +ATOM 2294 H H8 . DA A 1 1 ? 5.259 -7.813 3.180 1.00 0.00 ? 1 DA A H8 5 +ATOM 2295 H H61 . DA A 1 1 ? 1.427 -3.087 1.793 1.00 0.00 ? 1 DA A H61 5 +ATOM 2296 H H62 . DA A 1 1 ? 1.603 -4.503 2.838 1.00 0.00 ? 1 DA A H62 5 +ATOM 2297 H H2 . DA A 1 1 ? 5.003 -2.608 -0.594 1.00 0.00 ? 1 DA A H2 5 +ATOM 2298 H "HO5'" . DA A 1 1 ? 7.112 -10.410 1.158 1.00 0.00 ? 1 DA A "HO5'" 5 +ATOM 2299 P P . DG A 1 2 ? 11.183 -5.525 1.648 1.00 0.00 ? 2 DG A P 5 +ATOM 2300 O OP1 . DG A 1 2 ? 12.273 -5.456 0.652 1.00 0.00 ? 2 DG A OP1 5 +ATOM 2301 O OP2 . DG A 1 2 ? 11.498 -5.818 3.062 1.00 0.00 ? 2 DG A OP2 5 +ATOM 2302 O "O5'" . DG A 1 2 ? 10.349 -4.146 1.588 1.00 0.00 ? 2 DG A "O5'" 5 +ATOM 2303 C "C5'" . DG A 1 2 ? 10.115 -3.489 0.353 1.00 0.00 ? 2 DG A "C5'" 5 +ATOM 2304 C "C4'" . DG A 1 2 ? 9.421 -2.126 0.521 1.00 0.00 ? 2 DG A "C4'" 5 +ATOM 2305 O "O4'" . DG A 1 2 ? 8.054 -2.243 0.905 1.00 0.00 ? 2 DG A "O4'" 5 +ATOM 2306 C "C3'" . DG A 1 2 ? 10.093 -1.177 1.539 1.00 0.00 ? 2 DG A "C3'" 5 +ATOM 2307 O "O3'" . DG A 1 2 ? 10.330 0.070 0.908 1.00 0.00 ? 2 DG A "O3'" 5 +ATOM 2308 C "C2'" . DG A 1 2 ? 9.008 -1.090 2.614 1.00 0.00 ? 2 DG A "C2'" 5 +ATOM 2309 C "C1'" . DG A 1 2 ? 7.766 -1.135 1.735 1.00 0.00 ? 2 DG A "C1'" 5 +ATOM 2310 N N9 . DG A 1 2 ? 6.519 -1.377 2.486 1.00 0.00 ? 2 DG A N9 5 +ATOM 2311 C C8 . DG A 1 2 ? 6.195 -2.422 3.313 1.00 0.00 ? 2 DG A C8 5 +ATOM 2312 N N7 . DG A 1 2 ? 4.939 -2.456 3.665 1.00 0.00 ? 2 DG A N7 5 +ATOM 2313 C C5 . DG A 1 2 ? 4.399 -1.309 3.068 1.00 0.00 ? 2 DG A C5 5 +ATOM 2314 C C6 . DG A 1 2 ? 3.070 -0.760 3.044 1.00 0.00 ? 2 DG A C6 5 +ATOM 2315 O O6 . DG A 1 2 ? 2.036 -1.223 3.506 1.00 0.00 ? 2 DG A O6 5 +ATOM 2316 N N1 . DG A 1 2 ? 2.963 0.454 2.390 1.00 0.00 ? 2 DG A N1 5 +ATOM 2317 C C2 . DG A 1 2 ? 4.013 1.052 1.777 1.00 0.00 ? 2 DG A C2 5 +ATOM 2318 N N2 . DG A 1 2 ? 3.785 2.186 1.179 1.00 0.00 ? 2 DG A N2 5 +ATOM 2319 N N3 . DG A 1 2 ? 5.242 0.555 1.727 1.00 0.00 ? 2 DG A N3 5 +ATOM 2320 C C4 . DG A 1 2 ? 5.379 -0.622 2.394 1.00 0.00 ? 2 DG A C4 5 +ATOM 2321 H "H5'" . DG A 1 2 ? 9.505 -4.121 -0.296 1.00 0.00 ? 2 DG A "H5'" 5 +ATOM 2322 H "H5''" . DG A 1 2 ? 11.069 -3.301 -0.144 1.00 0.00 ? 2 DG A "H5''" 5 +ATOM 2323 H "H4'" . DG A 1 2 ? 9.426 -1.655 -0.464 1.00 0.00 ? 2 DG A "H4'" 5 +ATOM 2324 H "H3'" . DG A 1 2 ? 11.022 -1.591 1.938 1.00 0.00 ? 2 DG A "H3'" 5 +ATOM 2325 H "H2'" . DG A 1 2 ? 9.069 -1.972 3.253 1.00 0.00 ? 2 DG A "H2'" 5 +ATOM 2326 H "H2''" . DG A 1 2 ? 9.061 -0.189 3.221 1.00 0.00 ? 2 DG A "H2''" 5 +ATOM 2327 H "H1'" . DG A 1 2 ? 7.693 -0.226 1.133 1.00 0.00 ? 2 DG A "H1'" 5 +ATOM 2328 H H8 . DG A 1 2 ? 6.906 -3.167 3.634 1.00 0.00 ? 2 DG A H8 5 +ATOM 2329 H H1 . DG A 1 2 ? 2.039 0.869 2.341 1.00 0.00 ? 2 DG A H1 5 +ATOM 2330 H H21 . DG A 1 2 ? 2.873 2.615 1.203 1.00 0.00 ? 2 DG A H21 5 +ATOM 2331 H H22 . DG A 1 2 ? 4.590 2.612 0.760 1.00 0.00 ? 2 DG A H22 5 +ATOM 2332 P P . DG A 1 3 ? 10.899 1.343 1.704 1.00 0.00 ? 3 DG A P 5 +ATOM 2333 O OP1 . DG A 1 3 ? 11.703 2.156 0.767 1.00 0.00 ? 3 DG A OP1 5 +ATOM 2334 O OP2 . DG A 1 3 ? 11.494 0.875 2.974 1.00 0.00 ? 3 DG A OP2 5 +ATOM 2335 O "O5'" . DG A 1 3 ? 9.549 2.154 2.040 1.00 0.00 ? 3 DG A "O5'" 5 +ATOM 2336 C "C5'" . DG A 1 3 ? 9.440 2.966 3.196 1.00 0.00 ? 3 DG A "C5'" 5 +ATOM 2337 C "C4'" . DG A 1 3 ? 8.142 3.794 3.170 1.00 0.00 ? 3 DG A "C4'" 5 +ATOM 2338 O "O4'" . DG A 1 3 ? 6.988 2.957 3.242 1.00 0.00 ? 3 DG A "O4'" 5 +ATOM 2339 C "C3'" . DG A 1 3 ? 8.066 4.759 4.372 1.00 0.00 ? 3 DG A "C3'" 5 +ATOM 2340 O "O3'" . DG A 1 3 ? 7.611 6.033 3.955 1.00 0.00 ? 3 DG A "O3'" 5 +ATOM 2341 C "C2'" . DG A 1 3 ? 7.026 4.067 5.246 1.00 0.00 ? 3 DG A "C2'" 5 +ATOM 2342 C "C1'" . DG A 1 3 ? 6.091 3.524 4.173 1.00 0.00 ? 3 DG A "C1'" 5 +ATOM 2343 N N9 . DG A 1 3 ? 5.199 2.485 4.718 1.00 0.00 ? 3 DG A N9 5 +ATOM 2344 C C8 . DG A 1 3 ? 5.542 1.287 5.285 1.00 0.00 ? 3 DG A C8 5 +ATOM 2345 N N7 . DG A 1 3 ? 4.531 0.591 5.724 1.00 0.00 ? 3 DG A N7 5 +ATOM 2346 C C5 . DG A 1 3 ? 3.426 1.398 5.432 1.00 0.00 ? 3 DG A C5 5 +ATOM 2347 C C6 . DG A 1 3 ? 2.021 1.239 5.686 1.00 0.00 ? 3 DG A C6 5 +ATOM 2348 O O6 . DG A 1 3 ? 1.438 0.310 6.229 1.00 0.00 ? 3 DG A O6 5 +ATOM 2349 N N1 . DG A 1 3 ? 1.242 2.302 5.271 1.00 0.00 ? 3 DG A N1 5 +ATOM 2350 C C2 . DG A 1 3 ? 1.751 3.379 4.627 1.00 0.00 ? 3 DG A C2 5 +ATOM 2351 N N2 . DG A 1 3 ? 0.920 4.336 4.326 1.00 0.00 ? 3 DG A N2 5 +ATOM 2352 N N3 . DG A 1 3 ? 3.040 3.571 4.376 1.00 0.00 ? 3 DG A N3 5 +ATOM 2353 C C4 . DG A 1 3 ? 3.832 2.552 4.805 1.00 0.00 ? 3 DG A C4 5 +ATOM 2354 H "H5'" . DG A 1 3 ? 10.285 3.658 3.229 1.00 0.00 ? 3 DG A "H5'" 5 +ATOM 2355 H "H5''" . DG A 1 3 ? 9.459 2.344 4.094 1.00 0.00 ? 3 DG A "H5''" 5 +ATOM 2356 H "H4'" . DG A 1 3 ? 8.117 4.362 2.238 1.00 0.00 ? 3 DG A "H4'" 5 +ATOM 2357 H "H3'" . DG A 1 3 ? 9.032 4.826 4.878 1.00 0.00 ? 3 DG A "H3'" 5 +ATOM 2358 H "H2'" . DG A 1 3 ? 7.506 3.259 5.798 1.00 0.00 ? 3 DG A "H2'" 5 +ATOM 2359 H "H2''" . DG A 1 3 ? 6.514 4.732 5.939 1.00 0.00 ? 3 DG A "H2''" 5 +ATOM 2360 H "H1'" . DG A 1 3 ? 5.529 4.335 3.702 1.00 0.00 ? 3 DG A "H1'" 5 +ATOM 2361 H H8 . DG A 1 3 ? 6.566 0.956 5.375 1.00 0.00 ? 3 DG A H8 5 +ATOM 2362 H H1 . DG A 1 3 ? 0.245 2.227 5.441 1.00 0.00 ? 3 DG A H1 5 +ATOM 2363 H H21 . DG A 1 3 ? -0.047 4.284 4.605 1.00 0.00 ? 3 DG A H21 5 +ATOM 2364 H H22 . DG A 1 3 ? 1.343 5.154 3.927 1.00 0.00 ? 3 DG A H22 5 +ATOM 2365 P P . DA A 1 4 ? 7.672 7.310 4.932 1.00 0.00 ? 4 DA A P 5 +ATOM 2366 O OP1 . DA A 1 4 ? 7.687 8.522 4.087 1.00 0.00 ? 4 DA A OP1 5 +ATOM 2367 O OP2 . DA A 1 4 ? 8.758 7.081 5.909 1.00 0.00 ? 4 DA A OP2 5 +ATOM 2368 O "O5'" . DA A 1 4 ? 6.266 7.258 5.717 1.00 0.00 ? 4 DA A "O5'" 5 +ATOM 2369 C "C5'" . DA A 1 4 ? 5.093 7.840 5.171 1.00 0.00 ? 4 DA A "C5'" 5 +ATOM 2370 C "C4'" . DA A 1 4 ? 3.863 7.607 6.065 1.00 0.00 ? 4 DA A "C4'" 5 +ATOM 2371 O "O4'" . DA A 1 4 ? 3.514 6.232 6.135 1.00 0.00 ? 4 DA A "O4'" 5 +ATOM 2372 C "C3'" . DA A 1 4 ? 4.037 8.070 7.524 1.00 0.00 ? 4 DA A "C3'" 5 +ATOM 2373 O "O3'" . DA A 1 4 ? 3.473 9.357 7.700 1.00 0.00 ? 4 DA A "O3'" 5 +ATOM 2374 C "C2'" . DA A 1 4 ? 3.248 7.012 8.303 1.00 0.00 ? 4 DA A "C2'" 5 +ATOM 2375 C "C1'" . DA A 1 4 ? 2.639 6.118 7.230 1.00 0.00 ? 4 DA A "C1'" 5 +ATOM 2376 N N9 . DA A 1 4 ? 2.548 4.726 7.705 1.00 0.00 ? 4 DA A N9 5 +ATOM 2377 C C8 . DA A 1 4 ? 3.555 3.824 7.944 1.00 0.00 ? 4 DA A C8 5 +ATOM 2378 N N7 . DA A 1 4 ? 3.137 2.670 8.392 1.00 0.00 ? 4 DA A N7 5 +ATOM 2379 C C5 . DA A 1 4 ? 1.750 2.839 8.477 1.00 0.00 ? 4 DA A C5 5 +ATOM 2380 C C6 . DA A 1 4 ? 0.656 2.035 8.873 1.00 0.00 ? 4 DA A C6 5 +ATOM 2381 N N6 . DA A 1 4 ? 0.739 0.774 9.247 1.00 0.00 ? 4 DA A N6 5 +ATOM 2382 N N1 . DA A 1 4 ? -0.587 2.527 8.905 1.00 0.00 ? 4 DA A N1 5 +ATOM 2383 C C2 . DA A 1 4 ? -0.774 3.782 8.516 1.00 0.00 ? 4 DA A C2 5 +ATOM 2384 N N3 . DA A 1 4 ? 0.143 4.638 8.087 1.00 0.00 ? 4 DA A N3 5 +ATOM 2385 C C4 . DA A 1 4 ? 1.393 4.102 8.090 1.00 0.00 ? 4 DA A C4 5 +ATOM 2386 H "H5'" . DA A 1 4 ? 4.889 7.418 4.184 1.00 0.00 ? 4 DA A "H5'" 5 +ATOM 2387 H "H5''" . DA A 1 4 ? 5.237 8.918 5.069 1.00 0.00 ? 4 DA A "H5''" 5 +ATOM 2388 H "H4'" . DA A 1 4 ? 3.018 8.138 5.618 1.00 0.00 ? 4 DA A "H4'" 5 +ATOM 2389 H "H3'" . DA A 1 4 ? 5.092 8.048 7.810 1.00 0.00 ? 4 DA A "H3'" 5 +ATOM 2390 H "H2'" . DA A 1 4 ? 3.950 6.467 8.934 1.00 0.00 ? 4 DA A "H2'" 5 +ATOM 2391 H "H2''" . DA A 1 4 ? 2.450 7.405 8.917 1.00 0.00 ? 4 DA A "H2''" 5 +ATOM 2392 H "H1'" . DA A 1 4 ? 1.658 6.520 6.935 1.00 0.00 ? 4 DA A "H1'" 5 +ATOM 2393 H H8 . DA A 1 4 ? 4.605 4.045 7.794 1.00 0.00 ? 4 DA A H8 5 +ATOM 2394 H H61 . DA A 1 4 ? -0.127 0.293 9.447 1.00 0.00 ? 4 DA A H61 5 +ATOM 2395 H H62 . DA A 1 4 ? 1.627 0.306 9.180 1.00 0.00 ? 4 DA A H62 5 +ATOM 2396 H H2 . DA A 1 4 ? -1.787 4.150 8.539 1.00 0.00 ? 4 DA A H2 5 +ATOM 2397 P P . DT A 1 5 ? 3.584 10.151 9.099 1.00 0.00 ? 5 DT A P 5 +ATOM 2398 O OP1 . DT A 1 5 ? 3.355 11.585 8.821 1.00 0.00 ? 5 DT A OP1 5 +ATOM 2399 O OP2 . DT A 1 5 ? 4.825 9.721 9.775 1.00 0.00 ? 5 DT A OP2 5 +ATOM 2400 O "O5'" . DT A 1 5 ? 2.333 9.607 9.957 1.00 0.00 ? 5 DT A "O5'" 5 +ATOM 2401 C "C5'" . DT A 1 5 ? 1.001 9.996 9.656 1.00 0.00 ? 5 DT A "C5'" 5 +ATOM 2402 C "C4'" . DT A 1 5 ? -0.029 9.235 10.511 1.00 0.00 ? 5 DT A "C4'" 5 +ATOM 2403 O "O4'" . DT A 1 5 ? 0.015 7.836 10.263 1.00 0.00 ? 5 DT A "O4'" 5 +ATOM 2404 C "C3'" . DT A 1 5 ? 0.158 9.402 12.029 1.00 0.00 ? 5 DT A "C3'" 5 +ATOM 2405 O "O3'" . DT A 1 5 ? -0.689 10.420 12.527 1.00 0.00 ? 5 DT A "O3'" 5 +ATOM 2406 C "C2'" . DT A 1 5 ? -0.240 8.024 12.571 1.00 0.00 ? 5 DT A "C2'" 5 +ATOM 2407 C "C1'" . DT A 1 5 ? -0.643 7.213 11.342 1.00 0.00 ? 5 DT A "C1'" 5 +ATOM 2408 N N1 . DT A 1 5 ? -0.185 5.807 11.493 1.00 0.00 ? 5 DT A N1 5 +ATOM 2409 C C2 . DT A 1 5 ? -1.149 4.859 11.827 1.00 0.00 ? 5 DT A C2 5 +ATOM 2410 O O2 . DT A 1 5 ? -2.333 5.110 11.992 1.00 0.00 ? 5 DT A O2 5 +ATOM 2411 N N3 . DT A 1 5 ? -0.715 3.577 12.026 1.00 0.00 ? 5 DT A N3 5 +ATOM 2412 C C4 . DT A 1 5 ? 0.595 3.172 12.033 1.00 0.00 ? 5 DT A C4 5 +ATOM 2413 O O4 . DT A 1 5 ? 0.843 2.021 12.371 1.00 0.00 ? 5 DT A O4 5 +ATOM 2414 C C5 . DT A 1 5 ? 1.576 4.202 11.692 1.00 0.00 ? 5 DT A C5 5 +ATOM 2415 C C7 . DT A 1 5 ? 3.073 3.888 11.656 1.00 0.00 ? 5 DT A C7 5 +ATOM 2416 C C6 . DT A 1 5 ? 1.161 5.473 11.448 1.00 0.00 ? 5 DT A C6 5 +ATOM 2417 H "H5'" . DT A 1 5 ? 0.782 9.799 8.605 1.00 0.00 ? 5 DT A "H5'" 5 +ATOM 2418 H "H5''" . DT A 1 5 ? 0.883 11.065 9.843 1.00 0.00 ? 5 DT A "H5''" 5 +ATOM 2419 H "H4'" . DT A 1 5 ? -1.026 9.587 10.236 1.00 0.00 ? 5 DT A "H4'" 5 +ATOM 2420 H "H3'" . DT A 1 5 ? 1.207 9.612 12.255 1.00 0.00 ? 5 DT A "H3'" 5 +ATOM 2421 H "H2'" . DT A 1 5 ? 0.625 7.603 13.085 1.00 0.00 ? 5 DT A "H2'" 5 +ATOM 2422 H "H2''" . DT A 1 5 ? -1.080 8.045 13.256 1.00 0.00 ? 5 DT A "H2''" 5 +ATOM 2423 H "H1'" . DT A 1 5 ? -1.730 7.325 11.176 1.00 0.00 ? 5 DT A "H1'" 5 +ATOM 2424 H H3 . DT A 1 5 ? -1.428 2.915 12.309 1.00 0.00 ? 5 DT A H3 5 +ATOM 2425 H H71 . DT A 1 5 ? 3.243 2.819 11.513 1.00 0.00 ? 5 DT A H71 5 +ATOM 2426 H H72 . DT A 1 5 ? 3.568 4.411 10.835 1.00 0.00 ? 5 DT A H72 5 +ATOM 2427 H H73 . DT A 1 5 ? 3.537 4.193 12.595 1.00 0.00 ? 5 DT A H73 5 +ATOM 2428 H H6 . DT A 1 5 ? 1.921 6.230 11.268 1.00 0.00 ? 5 DT A H6 5 +ATOM 2429 P P . DC A 1 6 ? -0.655 10.870 14.074 1.00 0.00 ? 6 DC A P 5 +ATOM 2430 O OP1 . DC A 1 6 ? -1.176 12.251 14.161 1.00 0.00 ? 6 DC A OP1 5 +ATOM 2431 O OP2 . DC A 1 6 ? 0.681 10.549 14.620 1.00 0.00 ? 6 DC A OP2 5 +ATOM 2432 O "O5'" . DC A 1 6 ? -1.734 9.892 14.765 1.00 0.00 ? 6 DC A "O5'" 5 +ATOM 2433 C "C5'" . DC A 1 6 ? -1.416 9.109 15.906 1.00 0.00 ? 6 DC A "C5'" 5 +ATOM 2434 C "C4'" . DC A 1 6 ? -2.637 8.269 16.320 1.00 0.00 ? 6 DC A "C4'" 5 +ATOM 2435 O "O4'" . DC A 1 6 ? -2.935 7.257 15.354 1.00 0.00 ? 6 DC A "O4'" 5 +ATOM 2436 C "C3'" . DC A 1 6 ? -2.442 7.552 17.662 1.00 0.00 ? 6 DC A "C3'" 5 +ATOM 2437 O "O3'" . DC A 1 6 ? -2.878 8.330 18.757 1.00 0.00 ? 6 DC A "O3'" 5 +ATOM 2438 C "C2'" . DC A 1 6 ? -3.379 6.368 17.474 1.00 0.00 ? 6 DC A "C2'" 5 +ATOM 2439 C "C1'" . DC A 1 6 ? -3.267 6.036 15.992 1.00 0.00 ? 6 DC A "C1'" 5 +ATOM 2440 N N1 . DC A 1 6 ? -2.254 4.970 15.767 1.00 0.00 ? 6 DC A N1 5 +ATOM 2441 C C2 . DC A 1 6 ? -2.628 3.665 16.086 1.00 0.00 ? 6 DC A C2 5 +ATOM 2442 O O2 . DC A 1 6 ? -3.741 3.420 16.531 1.00 0.00 ? 6 DC A O2 5 +ATOM 2443 N N3 . DC A 1 6 ? -1.774 2.629 15.895 1.00 0.00 ? 6 DC A N3 5 +ATOM 2444 C C4 . DC A 1 6 ? -0.579 2.890 15.399 1.00 0.00 ? 6 DC A C4 5 +ATOM 2445 N N4 . DC A 1 6 ? 0.166 1.849 15.161 1.00 0.00 ? 6 DC A N4 5 +ATOM 2446 C C5 . DC A 1 6 ? -0.123 4.202 15.080 1.00 0.00 ? 6 DC A C5 5 +ATOM 2447 C C6 . DC A 1 6 ? -0.994 5.219 15.280 1.00 0.00 ? 6 DC A C6 5 +ATOM 2448 H "H5'" . DC A 1 6 ? -1.157 9.773 16.733 1.00 0.00 ? 6 DC A "H5'" 5 +ATOM 2449 H "H5''" . DC A 1 6 ? -0.567 8.453 15.706 1.00 0.00 ? 6 DC A "H5''" 5 +ATOM 2450 H "H4'" . DC A 1 6 ? -3.509 8.922 16.398 1.00 0.00 ? 6 DC A "H4'" 5 +ATOM 2451 H "H3'" . DC A 1 6 ? -1.405 7.214 17.743 1.00 0.00 ? 6 DC A "H3'" 5 +ATOM 2452 H "H2'" . DC A 1 6 ? -3.147 5.539 18.136 1.00 0.00 ? 6 DC A "H2'" 5 +ATOM 2453 H "H2''" . DC A 1 6 ? -4.403 6.692 17.662 1.00 0.00 ? 6 DC A "H2''" 5 +ATOM 2454 H "H1'" . DC A 1 6 ? -4.235 5.715 15.601 1.00 0.00 ? 6 DC A "H1'" 5 +ATOM 2455 H H41 . DC A 1 6 ? -0.282 0.977 15.402 1.00 0.00 ? 6 DC A H41 5 +ATOM 2456 H H42 . DC A 1 6 ? 0.919 1.918 14.498 1.00 0.00 ? 6 DC A H42 5 +ATOM 2457 H H5 . DC A 1 6 ? 0.870 4.401 14.712 1.00 0.00 ? 6 DC A H5 5 +ATOM 2458 H H6 . DC A 1 6 ? -0.688 6.230 15.045 1.00 0.00 ? 6 DC A H6 5 +ATOM 2459 P P . DC A 1 7 ? -2.440 7.975 20.264 1.00 0.00 ? 7 DC A P 5 +ATOM 2460 O OP1 . DC A 1 7 ? -2.888 9.076 21.141 1.00 0.00 ? 7 DC A OP1 5 +ATOM 2461 O OP2 . DC A 1 7 ? -1.015 7.584 20.234 1.00 0.00 ? 7 DC A OP2 5 +ATOM 2462 O "O5'" . DC A 1 7 ? -3.288 6.663 20.641 1.00 0.00 ? 7 DC A "O5'" 5 +ATOM 2463 C "C5'" . DC A 1 7 ? -4.700 6.691 20.758 1.00 0.00 ? 7 DC A "C5'" 5 +ATOM 2464 C "C4'" . DC A 1 7 ? -5.260 5.287 21.055 1.00 0.00 ? 7 DC A "C4'" 5 +ATOM 2465 O "O4'" . DC A 1 7 ? -4.758 4.341 20.113 1.00 0.00 ? 7 DC A "O4'" 5 +ATOM 2466 C "C3'" . DC A 1 7 ? -4.915 4.773 22.466 1.00 0.00 ? 7 DC A "C3'" 5 +ATOM 2467 O "O3'" . DC A 1 7 ? -5.999 4.012 22.969 1.00 0.00 ? 7 DC A "O3'" 5 +ATOM 2468 C "C2'" . DC A 1 7 ? -3.739 3.856 22.170 1.00 0.00 ? 7 DC A "C2'" 5 +ATOM 2469 C "C1'" . DC A 1 7 ? -4.170 3.272 20.827 1.00 0.00 ? 7 DC A "C1'" 5 +ATOM 2470 N N1 . DC A 1 7 ? -3.005 2.736 20.079 1.00 0.00 ? 7 DC A N1 5 +ATOM 2471 C C2 . DC A 1 7 ? -2.940 1.366 19.845 1.00 0.00 ? 7 DC A C2 5 +ATOM 2472 O O2 . DC A 1 7 ? -3.838 0.612 20.192 1.00 0.00 ? 7 DC A O2 5 +ATOM 2473 N N3 . DC A 1 7 ? -1.857 0.820 19.237 1.00 0.00 ? 7 DC A N3 5 +ATOM 2474 C C4 . DC A 1 7 ? -0.897 1.623 18.815 1.00 0.00 ? 7 DC A C4 5 +ATOM 2475 N N4 . DC A 1 7 ? 0.129 1.033 18.273 1.00 0.00 ? 7 DC A N4 5 +ATOM 2476 C C5 . DC A 1 7 ? -0.902 3.031 19.026 1.00 0.00 ? 7 DC A C5 5 +ATOM 2477 C C6 . DC A 1 7 ? -1.975 3.549 19.670 1.00 0.00 ? 7 DC A C6 5 +ATOM 2478 H "H5'" . DC A 1 7 ? -5.142 7.043 19.825 1.00 0.00 ? 7 DC A "H5'" 5 +ATOM 2479 H "H5''" . DC A 1 7 ? -5.002 7.373 21.555 1.00 0.00 ? 7 DC A "H5''" 5 +ATOM 2480 H "H4'" . DC A 1 7 ? -6.346 5.344 20.954 1.00 0.00 ? 7 DC A "H4'" 5 +ATOM 2481 H "H3'" . DC A 1 7 ? -4.637 5.602 23.122 1.00 0.00 ? 7 DC A "H3'" 5 +ATOM 2482 H "H2'" . DC A 1 7 ? -2.835 4.460 22.088 1.00 0.00 ? 7 DC A "H2'" 5 +ATOM 2483 H "H2''" . DC A 1 7 ? -3.608 3.083 22.925 1.00 0.00 ? 7 DC A "H2''" 5 +ATOM 2484 H "H1'" . DC A 1 7 ? -4.959 2.538 21.003 1.00 0.00 ? 7 DC A "H1'" 5 +ATOM 2485 H H41 . DC A 1 7 ? 0.066 0.025 18.243 1.00 0.00 ? 7 DC A H41 5 +ATOM 2486 H H42 . DC A 1 7 ? 0.888 1.560 17.887 1.00 0.00 ? 7 DC A H42 5 +ATOM 2487 H H5 . DC A 1 7 ? -0.094 3.674 18.714 1.00 0.00 ? 7 DC A H5 5 +ATOM 2488 H H6 . DC A 1 7 ? -2.007 4.611 19.878 1.00 0.00 ? 7 DC A H6 5 +ATOM 2489 P P . DT A 1 8 ? -6.239 3.783 24.545 1.00 0.00 ? 8 DT A P 5 +ATOM 2490 O OP1 . DT A 1 8 ? -7.652 3.385 24.716 1.00 0.00 ? 8 DT A OP1 5 +ATOM 2491 O OP2 . DT A 1 8 ? -5.734 4.979 25.253 1.00 0.00 ? 8 DT A OP2 5 +ATOM 2492 O "O5'" . DT A 1 8 ? -5.325 2.515 24.962 1.00 0.00 ? 8 DT A "O5'" 5 +ATOM 2493 C "C5'" . DT A 1 8 ? -4.190 2.645 25.809 1.00 0.00 ? 8 DT A "C5'" 5 +ATOM 2494 C "C4'" . DT A 1 8 ? -3.762 1.282 26.387 1.00 0.00 ? 8 DT A "C4'" 5 +ATOM 2495 O "O4'" . DT A 1 8 ? -3.267 0.377 25.395 1.00 0.00 ? 8 DT A "O4'" 5 +ATOM 2496 C "C3'" . DT A 1 8 ? -2.651 1.421 27.452 1.00 0.00 ? 8 DT A "C3'" 5 +ATOM 2497 O "O3'" . DT A 1 8 ? -2.979 0.852 28.708 1.00 0.00 ? 8 DT A "O3'" 5 +ATOM 2498 C "C2'" . DT A 1 8 ? -1.514 0.643 26.801 1.00 0.00 ? 8 DT A "C2'" 5 +ATOM 2499 C "C1'" . DT A 1 8 ? -2.273 -0.419 26.009 1.00 0.00 ? 8 DT A "C1'" 5 +ATOM 2500 N N1 . DT A 1 8 ? -1.411 -1.102 24.978 1.00 0.00 ? 8 DT A N1 5 +ATOM 2501 C C2 . DT A 1 8 ? -1.081 -2.432 25.260 1.00 0.00 ? 8 DT A C2 5 +ATOM 2502 O O2 . DT A 1 8 ? -1.569 -3.088 26.165 1.00 0.00 ? 8 DT A O2 5 +ATOM 2503 N N3 . DT A 1 8 ? -0.133 -3.039 24.480 1.00 0.00 ? 8 DT A N3 5 +ATOM 2504 C C4 . DT A 1 8 ? 0.494 -2.465 23.410 1.00 0.00 ? 8 DT A C4 5 +ATOM 2505 O O4 . DT A 1 8 ? 1.388 -3.105 22.875 1.00 0.00 ? 8 DT A O4 5 +ATOM 2506 C C5 . DT A 1 8 ? 0.044 -1.117 23.064 1.00 0.00 ? 8 DT A C5 5 +ATOM 2507 C C7 . DT A 1 8 ? 0.678 -0.344 21.905 1.00 0.00 ? 8 DT A C7 5 +ATOM 2508 C C6 . DT A 1 8 ? -0.883 -0.482 23.834 1.00 0.00 ? 8 DT A C6 5 +ATOM 2509 H "H5'" . DT A 1 8 ? -4.442 3.280 26.662 1.00 0.00 ? 8 DT A "H5'" 5 +ATOM 2510 H "H5''" . DT A 1 8 ? -3.359 3.102 25.269 1.00 0.00 ? 8 DT A "H5''" 5 +ATOM 2511 H "H4'" . DT A 1 8 ? -4.636 0.828 26.859 1.00 0.00 ? 8 DT A "H4'" 5 +ATOM 2512 H "H3'" . DT A 1 8 ? -2.367 2.473 27.553 1.00 0.00 ? 8 DT A "H3'" 5 +ATOM 2513 H "H2'" . DT A 1 8 ? -0.912 1.333 26.214 1.00 0.00 ? 8 DT A "H2'" 5 +ATOM 2514 H "H2''" . DT A 1 8 ? -0.893 0.165 27.544 1.00 0.00 ? 8 DT A "H2''" 5 +ATOM 2515 H "H1'" . DT A 1 8 ? -2.750 -1.103 26.753 1.00 0.00 ? 8 DT A "H1'" 5 +ATOM 2516 H H3 . DT A 1 8 ? 0.118 -3.991 24.709 1.00 0.00 ? 8 DT A H3 5 +ATOM 2517 H H71 . DT A 1 8 ? -0.091 0.025 21.227 1.00 0.00 ? 8 DT A H71 5 +ATOM 2518 H H72 . DT A 1 8 ? 1.241 0.508 22.291 1.00 0.00 ? 8 DT A H72 5 +ATOM 2519 H H73 . DT A 1 8 ? 1.366 -0.972 21.334 1.00 0.00 ? 8 DT A H73 5 +ATOM 2520 H H6 . DT A 1 8 ? -1.159 0.502 23.439 1.00 0.00 ? 8 DT A H6 5 +ATOM 2521 P P . DT A 1 9 ? -2.347 1.466 30.062 1.00 0.00 ? 9 DT A P 5 +ATOM 2522 O OP1 . DT A 1 9 ? -3.056 2.739 30.307 1.00 0.00 ? 9 DT A OP1 5 +ATOM 2523 O OP2 . DT A 1 9 ? -0.869 1.499 29.901 1.00 0.00 ? 9 DT A OP2 5 +ATOM 2524 O "O5'" . DT A 1 9 ? -2.770 0.448 31.264 1.00 0.00 ? 9 DT A "O5'" 5 +ATOM 2525 C "C5'" . DT A 1 9 ? -1.900 -0.535 31.825 1.00 0.00 ? 9 DT A "C5'" 5 +ATOM 2526 C "C4'" . DT A 1 9 ? -1.769 -1.822 30.984 1.00 0.00 ? 9 DT A "C4'" 5 +ATOM 2527 O "O4'" . DT A 1 9 ? -1.351 -1.451 29.686 1.00 0.00 ? 9 DT A "O4'" 5 +ATOM 2528 C "C3'" . DT A 1 9 ? -0.717 -2.809 31.525 1.00 0.00 ? 9 DT A "C3'" 5 +ATOM 2529 O "O3'" . DT A 1 9 ? -1.244 -3.896 32.266 1.00 0.00 ? 9 DT A "O3'" 5 +ATOM 2530 C "C2'" . DT A 1 9 ? -0.087 -3.342 30.243 1.00 0.00 ? 9 DT A "C2'" 5 +ATOM 2531 C "C1'" . DT A 1 9 ? -0.474 -2.395 29.125 1.00 0.00 ? 9 DT A "C1'" 5 +ATOM 2532 N N1 . DT A 1 9 ? 0.759 -1.632 28.630 1.00 0.00 ? 9 DT A N1 5 +ATOM 2533 C C2 . DT A 1 9 ? 1.099 -0.567 29.469 1.00 0.00 ? 9 DT A C2 5 +ATOM 2534 O O2 . DT A 1 9 ? 1.202 -0.652 30.683 1.00 0.00 ? 9 DT A O2 5 +ATOM 2535 N N3 . DT A 1 9 ? 1.379 0.616 28.855 1.00 0.00 ? 9 DT A N3 5 +ATOM 2536 C C4 . DT A 1 9 ? 1.711 0.719 27.529 1.00 0.00 ? 9 DT A C4 5 +ATOM 2537 O O4 . DT A 1 9 ? 1.762 1.826 27.009 1.00 0.00 ? 9 DT A O4 5 +ATOM 2538 C C5 . DT A 1 9 ? 1.986 -0.571 26.881 1.00 0.00 ? 9 DT A C5 5 +ATOM 2539 C C7 . DT A 1 9 ? 2.858 -0.644 25.625 1.00 0.00 ? 9 DT A C7 5 +ATOM 2540 C C6 . DT A 1 9 ? 1.479 -1.721 27.421 1.00 0.00 ? 9 DT A C6 5 +ATOM 2541 H "H5'" . DT A 1 9 ? -2.322 -0.826 32.788 1.00 0.00 ? 9 DT A "H5'" 5 +ATOM 2542 H "H5''" . DT A 1 9 ? -0.921 -0.095 32.021 1.00 0.00 ? 9 DT A "H5''" 5 +ATOM 2543 H "H4'" . DT A 1 9 ? -2.736 -2.322 30.905 1.00 0.00 ? 9 DT A "H4'" 5 +ATOM 2544 H "H3'" . DT A 1 9 ? 0.023 -2.260 32.112 1.00 0.00 ? 9 DT A "H3'" 5 +ATOM 2545 H "H2'" . DT A 1 9 ? 0.987 -3.393 30.369 1.00 0.00 ? 9 DT A "H2'" 5 +ATOM 2546 H "H2''" . DT A 1 9 ? -0.476 -4.322 29.977 1.00 0.00 ? 9 DT A "H2''" 5 +ATOM 2547 H "H1'" . DT A 1 9 ? -1.298 -2.860 28.538 1.00 0.00 ? 9 DT A "H1'" 5 +ATOM 2548 H H3 . DT A 1 9 ? 0.740 1.312 29.256 1.00 0.00 ? 9 DT A H3 5 +ATOM 2549 H H71 . DT A 1 9 ? 3.861 -0.980 25.895 1.00 0.00 ? 9 DT A H71 5 +ATOM 2550 H H72 . DT A 1 9 ? 2.452 -1.336 24.890 1.00 0.00 ? 9 DT A H72 5 +ATOM 2551 H H73 . DT A 1 9 ? 2.940 0.336 25.149 1.00 0.00 ? 9 DT A H73 5 +ATOM 2552 H H6 . DT A 1 9 ? 1.932 -2.617 26.960 1.00 0.00 ? 9 DT A H6 5 +ATOM 2553 P P . DU A 1 10 B -0.286 -4.835 33.171 1.00 0.00 ? 1 DU A P 5 +ATOM 2554 O OP1 . DU A 1 10 B -1.090 -5.977 33.654 1.00 0.00 ? 1 DU A OP1 5 +ATOM 2555 O OP2 . DU A 1 10 B 0.412 -3.964 34.139 1.00 0.00 ? 1 DU A OP2 5 +ATOM 2556 O "O5'" . DU A 1 10 B 0.828 -5.430 32.164 1.00 0.00 ? 1 DU A "O5'" 5 +ATOM 2557 C "C5'" . DU A 1 10 B 0.554 -6.528 31.307 1.00 0.00 ? 1 DU A "C5'" 5 +ATOM 2558 C "C4'" . DU A 1 10 B 1.624 -6.669 30.198 1.00 0.00 ? 1 DU A "C4'" 5 +ATOM 2559 O "O4'" . DU A 1 10 B 1.879 -5.415 29.555 1.00 0.00 ? 1 DU A "O4'" 5 +ATOM 2560 C "C3'" . DU A 1 10 B 2.980 -7.264 30.618 1.00 0.00 ? 1 DU A "C3'" 5 +ATOM 2561 O "O3'" . DU A 1 10 B 3.052 -8.567 30.024 1.00 0.00 ? 1 DU A "O3'" 5 +ATOM 2562 C "C2'" . DU A 1 10 B 4.023 -6.285 30.051 1.00 0.00 ? 1 DU A "C2'" 5 +ATOM 2563 C "C1'" . DU A 1 10 B 3.262 -5.176 29.342 1.00 0.00 ? 1 DU A "C1'" 5 +ATOM 2564 N N1 . DU A 1 10 B 3.640 -3.844 29.811 1.00 0.00 ? 1 DU A N1 5 +ATOM 2565 C C2 . DU A 1 10 B 4.151 -2.892 29.006 1.00 0.00 ? 1 DU A C2 5 +ATOM 2566 O O2 . DU A 1 10 B 4.366 -3.067 27.813 1.00 0.00 ? 1 DU A O2 5 +ATOM 2567 N N3 . DU A 1 10 B 4.451 -1.647 29.500 1.00 0.00 ? 1 DU A N3 5 +ATOM 2568 C C4 . DU A 1 10 B 4.293 -1.255 30.806 1.00 0.00 ? 1 DU A C4 5 +ATOM 2569 O O4 . DU A 1 10 B 4.655 -0.131 31.121 1.00 0.00 ? 1 DU A O4 5 +ATOM 2570 C C5 . DU A 1 10 B 3.749 -2.267 31.692 1.00 0.00 ? 1 DU A C5 5 +ATOM 2571 C C6 . DU A 1 10 B 3.434 -3.511 31.235 1.00 0.00 ? 1 DU A C6 5 +ATOM 2572 H "H5'" . DU A 1 10 B -0.412 -6.396 30.816 1.00 0.00 ? 1 DU A "H5'" 5 +ATOM 2573 H "H5''" . DU A 1 10 B 0.514 -7.451 31.888 1.00 0.00 ? 1 DU A "H5''" 5 +ATOM 2574 H "H4'" . DU A 1 10 B 1.198 -7.314 29.415 1.00 0.00 ? 1 DU A "H4'" 5 +ATOM 2575 H "H3'" . DU A 1 10 B 3.041 -7.311 31.718 1.00 0.00 ? 1 DU A "H3'" 5 +ATOM 2576 H "H2'" . DU A 1 10 B 4.672 -5.909 30.853 1.00 0.00 ? 1 DU A "H2'" 5 +ATOM 2577 H "H2''" . DU A 1 10 B 4.658 -6.775 29.306 1.00 0.00 ? 1 DU A "H2''" 5 +ATOM 2578 H "H1'" . DU A 1 10 B 3.426 -5.282 28.260 1.00 0.00 ? 1 DU A "H1'" 5 +ATOM 2579 H H3 . DU A 1 10 B 4.815 -0.971 28.859 1.00 0.00 ? 1 DU A H3 5 +ATOM 2580 H H5 . DU A 1 10 B 3.593 -1.995 32.727 1.00 0.00 ? 1 DU A H5 5 +ATOM 2581 H H6 . DU A 1 10 B 3.015 -4.247 31.913 1.00 0.00 ? 1 DU A H6 5 +ATOM 2582 P P . DT A 1 11 B 4.388 -9.417 30.361 1.00 0.00 ? 2 DT A P 5 +ATOM 2583 O OP1 . DT A 1 11 B 4.261 -9.939 31.737 1.00 0.00 ? 2 DT A OP1 5 +ATOM 2584 O OP2 . DT A 1 11 B 5.605 -8.670 29.969 1.00 0.00 ? 2 DT A OP2 5 +ATOM 2585 O "O5'" . DT A 1 11 B 4.220 -10.646 29.329 1.00 0.00 ? 2 DT A "O5'" 5 +ATOM 2586 C "C5'" . DT A 1 11 B 4.299 -10.479 27.915 1.00 0.00 ? 2 DT A "C5'" 5 +ATOM 2587 C "C4'" . DT A 1 11 B 3.098 -9.723 27.298 1.00 0.00 ? 2 DT A "C4'" 5 +ATOM 2588 O "O4'" . DT A 1 11 B 3.291 -8.306 27.303 1.00 0.00 ? 2 DT A "O4'" 5 +ATOM 2589 C "C3'" . DT A 1 11 B 2.807 -10.110 25.832 1.00 0.00 ? 2 DT A "C3'" 5 +ATOM 2590 O "O3'" . DT A 1 11 B 1.442 -10.440 25.675 1.00 0.00 ? 2 DT A "O3'" 5 +ATOM 2591 C "C2'" . DT A 1 11 B 3.160 -8.827 25.090 1.00 0.00 ? 2 DT A "C2'" 5 +ATOM 2592 C "C1'" . DT A 1 11 B 2.744 -7.773 26.110 1.00 0.00 ? 2 DT A "C1'" 5 +ATOM 2593 N N1 . DT A 1 11 B 3.341 -6.447 25.783 1.00 0.00 ? 2 DT A N1 5 +ATOM 2594 C C2 . DT A 1 11 B 2.518 -5.499 25.168 1.00 0.00 ? 2 DT A C2 5 +ATOM 2595 O O2 . DT A 1 11 B 1.305 -5.592 25.037 1.00 0.00 ? 2 DT A O2 5 +ATOM 2596 N N3 . DT A 1 11 B 3.125 -4.368 24.694 1.00 0.00 ? 2 DT A N3 5 +ATOM 2597 C C4 . DT A 1 11 B 4.451 -4.046 24.828 1.00 0.00 ? 2 DT A C4 5 +ATOM 2598 O O4 . DT A 1 11 B 4.842 -3.002 24.323 1.00 0.00 ? 2 DT A O4 5 +ATOM 2599 C C5 . DT A 1 11 B 5.259 -5.031 25.551 1.00 0.00 ? 2 DT A C5 5 +ATOM 2600 C C7 . DT A 1 11 B 6.746 -4.801 25.825 1.00 0.00 ? 2 DT A C7 5 +ATOM 2601 C C6 . DT A 1 11 B 4.687 -6.184 25.991 1.00 0.00 ? 2 DT A C6 5 +ATOM 2602 H "H5'" . DT A 1 11 B 4.301 -11.495 27.518 1.00 0.00 ? 2 DT A "H5'" 5 +ATOM 2603 H "H5''" . DT A 1 11 B 5.240 -10.009 27.621 1.00 0.00 ? 2 DT A "H5''" 5 +ATOM 2604 H "H4'" . DT A 1 11 B 2.213 -9.960 27.894 1.00 0.00 ? 2 DT A "H4'" 5 +ATOM 2605 H "H3'" . DT A 1 11 B 3.443 -10.937 25.506 1.00 0.00 ? 2 DT A "H3'" 5 +ATOM 2606 H "H2'" . DT A 1 11 B 4.228 -8.826 24.880 1.00 0.00 ? 2 DT A "H2'" 5 +ATOM 2607 H "H2''" . DT A 1 11 B 2.617 -8.714 24.157 1.00 0.00 ? 2 DT A "H2''" 5 +ATOM 2608 H "H1'" . DT A 1 11 B 1.653 -7.744 26.207 1.00 0.00 ? 2 DT A "H1'" 5 +ATOM 2609 H H3 . DT A 1 11 B 2.569 -3.775 24.100 1.00 0.00 ? 2 DT A H3 5 +ATOM 2610 H H71 . DT A 1 11 B 6.924 -4.780 26.902 1.00 0.00 ? 2 DT A H71 5 +ATOM 2611 H H72 . DT A 1 11 B 7.340 -5.602 25.380 1.00 0.00 ? 2 DT A H72 5 +ATOM 2612 H H73 . DT A 1 11 B 7.081 -3.850 25.405 1.00 0.00 ? 2 DT A H73 5 +ATOM 2613 H H6 . DT A 1 11 B 5.320 -6.895 26.509 1.00 0.00 ? 2 DT A H6 5 +ATOM 2614 P P . DG A 1 12 B 0.863 -11.027 24.293 1.00 0.00 ? 3 DG A P 5 +ATOM 2615 O OP1 . DG A 1 12 B -0.110 -12.086 24.631 1.00 0.00 ? 3 DG A OP1 5 +ATOM 2616 O OP2 . DG A 1 12 B 2.005 -11.329 23.404 1.00 0.00 ? 3 DG A OP2 5 +ATOM 2617 O "O5'" . DG A 1 12 B 0.057 -9.773 23.685 1.00 0.00 ? 3 DG A "O5'" 5 +ATOM 2618 C "C5'" . DG A 1 12 B -0.960 -9.133 24.438 1.00 0.00 ? 3 DG A "C5'" 5 +ATOM 2619 C "C4'" . DG A 1 12 B -1.750 -8.103 23.616 1.00 0.00 ? 3 DG A "C4'" 5 +ATOM 2620 O "O4'" . DG A 1 12 B -0.939 -7.035 23.116 1.00 0.00 ? 3 DG A "O4'" 5 +ATOM 2621 C "C3'" . DG A 1 12 B -2.527 -8.703 22.418 1.00 0.00 ? 3 DG A "C3'" 5 +ATOM 2622 O "O3'" . DG A 1 12 B -3.902 -8.361 22.492 1.00 0.00 ? 3 DG A "O3'" 5 +ATOM 2623 C "C2'" . DG A 1 12 B -1.842 -7.976 21.263 1.00 0.00 ? 3 DG A "C2'" 5 +ATOM 2624 C "C1'" . DG A 1 12 B -1.570 -6.627 21.923 1.00 0.00 ? 3 DG A "C1'" 5 +ATOM 2625 N N9 . DG A 1 12 B -0.806 -5.645 21.113 1.00 0.00 ? 3 DG A N9 5 +ATOM 2626 C C8 . DG A 1 12 B 0.430 -5.730 20.521 1.00 0.00 ? 3 DG A C8 5 +ATOM 2627 N N7 . DG A 1 12 B 0.810 -4.650 19.895 1.00 0.00 ? 3 DG A N7 5 +ATOM 2628 C C5 . DG A 1 12 B -0.259 -3.770 20.075 1.00 0.00 ? 3 DG A C5 5 +ATOM 2629 C C6 . DG A 1 12 B -0.495 -2.424 19.626 1.00 0.00 ? 3 DG A C6 5 +ATOM 2630 O O6 . DG A 1 12 B 0.227 -1.691 18.961 1.00 0.00 ? 3 DG A O6 5 +ATOM 2631 N N1 . DG A 1 12 B -1.715 -1.903 20.016 1.00 0.00 ? 3 DG A N1 5 +ATOM 2632 C C2 . DG A 1 12 B -2.638 -2.615 20.703 1.00 0.00 ? 3 DG A C2 5 +ATOM 2633 N N2 . DG A 1 12 B -3.836 -2.114 20.765 1.00 0.00 ? 3 DG A N2 5 +ATOM 2634 N N3 . DG A 1 12 B -2.472 -3.867 21.108 1.00 0.00 ? 3 DG A N3 5 +ATOM 2635 C C4 . DG A 1 12 B -1.255 -4.387 20.793 1.00 0.00 ? 3 DG A C4 5 +ATOM 2636 H "H5'" . DG A 1 12 B -0.514 -8.622 25.293 1.00 0.00 ? 3 DG A "H5'" 5 +ATOM 2637 H "H5''" . DG A 1 12 B -1.673 -9.872 24.811 1.00 0.00 ? 3 DG A "H5''" 5 +ATOM 2638 H "H4'" . DG A 1 12 B -2.474 -7.656 24.302 1.00 0.00 ? 3 DG A "H4'" 5 +ATOM 2639 H "H3'" . DG A 1 12 B -2.392 -9.786 22.355 1.00 0.00 ? 3 DG A "H3'" 5 +ATOM 2640 H "H2'" . DG A 1 12 B -0.970 -8.560 20.999 1.00 0.00 ? 3 DG A "H2'" 5 +ATOM 2641 H "H2''" . DG A 1 12 B -2.426 -7.872 20.366 1.00 0.00 ? 3 DG A "H2''" 5 +ATOM 2642 H "H1'" . DG A 1 12 B -2.519 -6.167 22.206 1.00 0.00 ? 3 DG A "H1'" 5 +ATOM 2643 H H8 . DG A 1 12 B 1.056 -6.601 20.534 1.00 0.00 ? 3 DG A H8 5 +ATOM 2644 H H1 . DG A 1 12 B -1.917 -0.960 19.708 1.00 0.00 ? 3 DG A H1 5 +ATOM 2645 H H21 . DG A 1 12 B -4.028 -1.197 20.391 1.00 0.00 ? 3 DG A H21 5 +ATOM 2646 H H22 . DG A 1 12 B -4.551 -2.800 20.950 1.00 0.00 ? 3 DG A H22 5 +ATOM 2647 P P . DG A 1 13 B -4.993 -8.983 21.480 1.00 0.00 ? 4 DG A P 5 +ATOM 2648 O OP1 . DG A 1 13 B -5.913 -9.829 22.267 1.00 0.00 ? 4 DG A OP1 5 +ATOM 2649 O OP2 . DG A 1 13 B -4.285 -9.552 20.313 1.00 0.00 ? 4 DG A OP2 5 +ATOM 2650 O "O5'" . DG A 1 13 B -5.802 -7.680 20.978 1.00 0.00 ? 4 DG A "O5'" 5 +ATOM 2651 C "C5'" . DG A 1 13 B -5.118 -6.573 20.422 1.00 0.00 ? 4 DG A "C5'" 5 +ATOM 2652 C "C4'" . DG A 1 13 B -6.077 -5.472 19.941 1.00 0.00 ? 4 DG A "C4'" 5 +ATOM 2653 O "O4'" . DG A 1 13 B -5.279 -4.324 19.666 1.00 0.00 ? 4 DG A "O4'" 5 +ATOM 2654 C "C3'" . DG A 1 13 B -6.807 -5.834 18.635 1.00 0.00 ? 4 DG A "C3'" 5 +ATOM 2655 O "O3'" . DG A 1 13 B -8.013 -5.093 18.533 1.00 0.00 ? 4 DG A "O3'" 5 +ATOM 2656 C "C2'" . DG A 1 13 B -5.785 -5.335 17.622 1.00 0.00 ? 4 DG A "C2'" 5 +ATOM 2657 C "C1'" . DG A 1 13 B -5.359 -4.024 18.286 1.00 0.00 ? 4 DG A "C1'" 5 +ATOM 2658 N N9 . DG A 1 13 B -4.057 -3.518 17.797 1.00 0.00 ? 4 DG A N9 5 +ATOM 2659 C C8 . DG A 1 13 B -2.859 -4.170 17.629 1.00 0.00 ? 4 DG A C8 5 +ATOM 2660 N N7 . DG A 1 13 B -1.926 -3.438 17.083 1.00 0.00 ? 4 DG A N7 5 +ATOM 2661 C C5 . DG A 1 13 B -2.539 -2.192 16.903 1.00 0.00 ? 4 DG A C5 5 +ATOM 2662 C C6 . DG A 1 13 B -2.055 -0.930 16.410 1.00 0.00 ? 4 DG A C6 5 +ATOM 2663 O O6 . DG A 1 13 B -0.956 -0.650 15.946 1.00 0.00 ? 4 DG A O6 5 +ATOM 2664 N N1 . DG A 1 13 B -2.976 0.100 16.475 1.00 0.00 ? 4 DG A N1 5 +ATOM 2665 C C2 . DG A 1 13 B -4.224 -0.063 16.974 1.00 0.00 ? 4 DG A C2 5 +ATOM 2666 N N2 . DG A 1 13 B -5.019 0.966 16.938 1.00 0.00 ? 4 DG A N2 5 +ATOM 2667 N N3 . DG A 1 13 B -4.721 -1.214 17.404 1.00 0.00 ? 4 DG A N3 5 +ATOM 2668 C C4 . DG A 1 13 B -3.835 -2.241 17.353 1.00 0.00 ? 4 DG A C4 5 +ATOM 2669 H "H5'" . DG A 1 13 B -4.477 -6.890 19.599 1.00 0.00 ? 4 DG A "H5'" 5 +ATOM 2670 H "H5''" . DG A 1 13 B -4.494 -6.136 21.201 1.00 0.00 ? 4 DG A "H5''" 5 +ATOM 2671 H "H4'" . DG A 1 13 B -6.792 -5.254 20.737 1.00 0.00 ? 4 DG A "H4'" 5 +ATOM 2672 H "H3'" . DG A 1 13 B -6.994 -6.908 18.556 1.00 0.00 ? 4 DG A "H3'" 5 +ATOM 2673 H "H2'" . DG A 1 13 B -4.971 -6.054 17.554 1.00 0.00 ? 4 DG A "H2'" 5 +ATOM 2674 H "H2''" . DG A 1 13 B -6.218 -5.202 16.636 1.00 0.00 ? 4 DG A "H2''" 5 +ATOM 2675 H "H1'" . DG A 1 13 B -6.147 -3.283 18.142 1.00 0.00 ? 4 DG A "H1'" 5 +ATOM 2676 H H8 . DG A 1 13 B -2.672 -5.196 17.914 1.00 0.00 ? 4 DG A H8 5 +ATOM 2677 H H1 . DG A 1 13 B -2.643 1.027 16.236 1.00 0.00 ? 4 DG A H1 5 +ATOM 2678 H H21 . DG A 1 13 B -4.696 1.864 16.615 1.00 0.00 ? 4 DG A H21 5 +ATOM 2679 H H22 . DG A 1 13 B -5.959 0.781 17.237 1.00 0.00 ? 4 DG A H22 5 +ATOM 2680 P P . DA A 1 14 B -8.963 -5.173 17.232 1.00 0.00 ? 5 DA A P 5 +ATOM 2681 O OP1 . DA A 1 14 B -10.361 -5.001 17.682 1.00 0.00 ? 5 DA A OP1 5 +ATOM 2682 O OP2 . DA A 1 14 B -8.584 -6.374 16.458 1.00 0.00 ? 5 DA A OP2 5 +ATOM 2683 O "O5'" . DA A 1 14 B -8.549 -3.866 16.369 1.00 0.00 ? 5 DA A "O5'" 5 +ATOM 2684 C "C5'" . DA A 1 14 B -8.931 -2.564 16.788 1.00 0.00 ? 5 DA A "C5'" 5 +ATOM 2685 C "C4'" . DA A 1 14 B -8.585 -1.455 15.774 1.00 0.00 ? 5 DA A "C4'" 5 +ATOM 2686 O "O4'" . DA A 1 14 B -7.186 -1.226 15.630 1.00 0.00 ? 5 DA A "O4'" 5 +ATOM 2687 C "C3'" . DA A 1 14 B -9.154 -1.651 14.353 1.00 0.00 ? 5 DA A "C3'" 5 +ATOM 2688 O "O3'" . DA A 1 14 B -9.965 -0.550 13.987 1.00 0.00 ? 5 DA A "O3'" 5 +ATOM 2689 C "C2'" . DA A 1 14 B -7.872 -1.717 13.525 1.00 0.00 ? 5 DA A "C2'" 5 +ATOM 2690 C "C1'" . DA A 1 14 B -6.972 -0.766 14.310 1.00 0.00 ? 5 DA A "C1'" 5 +ATOM 2691 N N9 . DA A 1 14 B -5.540 -0.903 13.962 1.00 0.00 ? 5 DA A N9 5 +ATOM 2692 C C8 . DA A 1 14 B -4.772 -2.043 13.876 1.00 0.00 ? 5 DA A C8 5 +ATOM 2693 N N7 . DA A 1 14 B -3.528 -1.835 13.551 1.00 0.00 ? 5 DA A N7 5 +ATOM 2694 C C5 . DA A 1 14 B -3.467 -0.448 13.415 1.00 0.00 ? 5 DA A C5 5 +ATOM 2695 C C6 . DA A 1 14 B -2.446 0.470 13.094 1.00 0.00 ? 5 DA A C6 5 +ATOM 2696 N N6 . DA A 1 14 B -1.212 0.107 12.815 1.00 0.00 ? 5 DA A N6 5 +ATOM 2697 N N1 . DA A 1 14 B -2.685 1.784 13.018 1.00 0.00 ? 5 DA A N1 5 +ATOM 2698 C C2 . DA A 1 14 B -3.915 2.203 13.298 1.00 0.00 ? 5 DA A C2 5 +ATOM 2699 N N3 . DA A 1 14 B -4.968 1.460 13.626 1.00 0.00 ? 5 DA A N3 5 +ATOM 2700 C C4 . DA A 1 14 B -4.683 0.129 13.661 1.00 0.00 ? 5 DA A C4 5 +ATOM 2701 H "H5'" . DA A 1 14 B -8.452 -2.328 17.741 1.00 0.00 ? 5 DA A "H5'" 5 +ATOM 2702 H "H5''" . DA A 1 14 B -10.013 -2.533 16.933 1.00 0.00 ? 5 DA A "H5''" 5 +ATOM 2703 H "H4'" . DA A 1 14 B -9.001 -0.532 16.184 1.00 0.00 ? 5 DA A "H4'" 5 +ATOM 2704 H "H3'" . DA A 1 14 B -9.710 -2.589 14.285 1.00 0.00 ? 5 DA A "H3'" 5 +ATOM 2705 H "H2'" . DA A 1 14 B -7.521 -2.747 13.550 1.00 0.00 ? 5 DA A "H2'" 5 +ATOM 2706 H "H2''" . DA A 1 14 B -8.003 -1.401 12.491 1.00 0.00 ? 5 DA A "H2''" 5 +ATOM 2707 H "H1'" . DA A 1 14 B -7.322 0.268 14.206 1.00 0.00 ? 5 DA A "H1'" 5 +ATOM 2708 H H8 . DA A 1 14 B -5.129 -3.045 14.040 1.00 0.00 ? 5 DA A H8 5 +ATOM 2709 H H61 . DA A 1 14 B -0.542 0.834 12.622 1.00 0.00 ? 5 DA A H61 5 +ATOM 2710 H H62 . DA A 1 14 B -0.957 -0.861 12.911 1.00 0.00 ? 5 DA A H62 5 +ATOM 2711 H H2 . DA A 1 14 B -4.081 3.268 13.244 1.00 0.00 ? 5 DA A H2 5 +ATOM 2712 P P . DT A 1 15 B -10.744 -0.501 12.581 1.00 0.00 ? 6 DT A P 5 +ATOM 2713 O OP1 . DT A 1 15 B -11.982 0.284 12.772 1.00 0.00 ? 6 DT A OP1 5 +ATOM 2714 O OP2 . DT A 1 15 B -10.813 -1.873 12.035 1.00 0.00 ? 6 DT A OP2 5 +ATOM 2715 O "O5'" . DT A 1 15 B -9.737 0.358 11.666 1.00 0.00 ? 6 DT A "O5'" 5 +ATOM 2716 C "C5'" . DT A 1 15 B -9.609 1.759 11.843 1.00 0.00 ? 6 DT A "C5'" 5 +ATOM 2717 C "C4'" . DT A 1 15 B -8.486 2.352 10.980 1.00 0.00 ? 6 DT A "C4'" 5 +ATOM 2718 O "O4'" . DT A 1 15 B -7.220 1.800 11.313 1.00 0.00 ? 6 DT A "O4'" 5 +ATOM 2719 C "C3'" . DT A 1 15 B -8.649 2.131 9.466 1.00 0.00 ? 6 DT A "C3'" 5 +ATOM 2720 O "O3'" . DT A 1 15 B -9.259 3.258 8.862 1.00 0.00 ? 6 DT A "O3'" 5 +ATOM 2721 C "C2'" . DT A 1 15 B -7.196 1.973 8.999 1.00 0.00 ? 6 DT A "C2'" 5 +ATOM 2722 C "C1'" . DT A 1 15 B -6.360 2.161 10.262 1.00 0.00 ? 6 DT A "C1'" 5 +ATOM 2723 N N1 . DT A 1 15 B -5.151 1.291 10.227 1.00 0.00 ? 6 DT A N1 5 +ATOM 2724 C C2 . DT A 1 15 B -3.945 1.939 9.972 1.00 0.00 ? 6 DT A C2 5 +ATOM 2725 O O2 . DT A 1 15 B -3.824 3.144 9.823 1.00 0.00 ? 6 DT A O2 5 +ATOM 2726 N N3 . DT A 1 15 B -2.834 1.157 9.853 1.00 0.00 ? 6 DT A N3 5 +ATOM 2727 C C4 . DT A 1 15 B -2.806 -0.209 9.860 1.00 0.00 ? 6 DT A C4 5 +ATOM 2728 O O4 . DT A 1 15 B -1.745 -0.755 9.578 1.00 0.00 ? 6 DT A O4 5 +ATOM 2729 C C5 . DT A 1 15 B -4.087 -0.855 10.158 1.00 0.00 ? 6 DT A C5 5 +ATOM 2730 C C7 . DT A 1 15 B -4.196 -2.377 10.248 1.00 0.00 ? 6 DT A C7 5 +ATOM 2731 C C6 . DT A 1 15 B -5.209 -0.098 10.325 1.00 0.00 ? 6 DT A C6 5 +ATOM 2732 H "H5'" . DT A 1 15 B -9.385 1.985 12.889 1.00 0.00 ? 6 DT A "H5'" 5 +ATOM 2733 H "H5''" . DT A 1 15 B -10.547 2.249 11.574 1.00 0.00 ? 6 DT A "H5''" 5 +ATOM 2734 H "H4'" . DT A 1 15 B -8.444 3.426 11.179 1.00 0.00 ? 6 DT A "H4'" 5 +ATOM 2735 H "H3'" . DT A 1 15 B -9.216 1.214 9.281 1.00 0.00 ? 6 DT A "H3'" 5 +ATOM 2736 H "H2'" . DT A 1 15 B -7.082 0.975 8.575 1.00 0.00 ? 6 DT A "H2'" 5 +ATOM 2737 H "H2''" . DT A 1 15 B -6.892 2.714 8.265 1.00 0.00 ? 6 DT A "H2''" 5 +ATOM 2738 H "H1'" . DT A 1 15 B -6.148 3.244 10.377 1.00 0.00 ? 6 DT A "H1'" 5 +ATOM 2739 H H3 . DT A 1 15 B -1.984 1.648 9.618 1.00 0.00 ? 6 DT A H3 5 +ATOM 2740 H H71 . DT A 1 15 B -4.396 -2.794 9.260 1.00 0.00 ? 6 DT A H71 5 +ATOM 2741 H H72 . DT A 1 15 B -3.264 -2.802 10.628 1.00 0.00 ? 6 DT A H72 5 +ATOM 2742 H H73 . DT A 1 15 B -4.996 -2.681 10.926 1.00 0.00 ? 6 DT A H73 5 +ATOM 2743 H H6 . DT A 1 15 B -6.138 -0.636 10.515 1.00 0.00 ? 6 DT A H6 5 +ATOM 2744 P P . DC A 1 16 B -9.671 3.269 7.304 1.00 0.00 ? 7 DC A P 5 +ATOM 2745 O OP1 . DC A 1 16 B -10.668 4.342 7.107 1.00 0.00 ? 7 DC A OP1 5 +ATOM 2746 O OP2 . DC A 1 16 B -9.989 1.883 6.900 1.00 0.00 ? 7 DC A OP2 5 +ATOM 2747 O "O5'" . DC A 1 16 B -8.316 3.708 6.551 1.00 0.00 ? 7 DC A "O5'" 5 +ATOM 2748 C "C5'" . DC A 1 16 B -7.817 5.033 6.641 1.00 0.00 ? 7 DC A "C5'" 5 +ATOM 2749 C "C4'" . DC A 1 16 B -6.427 5.163 5.993 1.00 0.00 ? 7 DC A "C4'" 5 +ATOM 2750 O "O4'" . DC A 1 16 B -5.474 4.331 6.635 1.00 0.00 ? 7 DC A "O4'" 5 +ATOM 2751 C "C3'" . DC A 1 16 B -6.386 4.784 4.503 1.00 0.00 ? 7 DC A "C3'" 5 +ATOM 2752 O "O3'" . DC A 1 16 B -6.506 5.940 3.697 1.00 0.00 ? 7 DC A "O3'" 5 +ATOM 2753 C "C2'" . DC A 1 16 B -5.010 4.119 4.354 1.00 0.00 ? 7 DC A "C2'" 5 +ATOM 2754 C "C1'" . DC A 1 16 B -4.390 4.185 5.747 1.00 0.00 ? 7 DC A "C1'" 5 +ATOM 2755 N N1 . DC A 1 16 B -3.613 2.958 6.039 1.00 0.00 ? 7 DC A N1 5 +ATOM 2756 C C2 . DC A 1 16 B -2.265 2.941 5.694 1.00 0.00 ? 7 DC A C2 5 +ATOM 2757 O O2 . DC A 1 16 B -1.738 3.903 5.151 1.00 0.00 ? 7 DC A O2 5 +ATOM 2758 N N3 . DC A 1 16 B -1.500 1.849 5.954 1.00 0.00 ? 7 DC A N3 5 +ATOM 2759 C C4 . DC A 1 16 B -2.077 0.801 6.514 1.00 0.00 ? 7 DC A C4 5 +ATOM 2760 N N4 . DC A 1 16 B -1.289 -0.196 6.794 1.00 0.00 ? 7 DC A N4 5 +ATOM 2761 C C5 . DC A 1 16 B -3.472 0.718 6.786 1.00 0.00 ? 7 DC A C5 5 +ATOM 2762 C C6 . DC A 1 16 B -4.210 1.825 6.535 1.00 0.00 ? 7 DC A C6 5 +ATOM 2763 H "H5'" . DC A 1 16 B -7.731 5.332 7.688 1.00 0.00 ? 7 DC A "H5'" 5 +ATOM 2764 H "H5''" . DC A 1 16 B -8.503 5.718 6.138 1.00 0.00 ? 7 DC A "H5''" 5 +ATOM 2765 H "H4'" . DC A 1 16 B -6.091 6.197 6.105 1.00 0.00 ? 7 DC A "H4'" 5 +ATOM 2766 H "H3'" . DC A 1 16 B -7.176 4.062 4.281 1.00 0.00 ? 7 DC A "H3'" 5 +ATOM 2767 H "H2'" . DC A 1 16 B -5.162 3.090 4.024 1.00 0.00 ? 7 DC A "H2'" 5 +ATOM 2768 H "H2''" . DC A 1 16 B -4.356 4.630 3.650 1.00 0.00 ? 7 DC A "H2''" 5 +ATOM 2769 H "H1'" . DC A 1 16 B -3.785 5.092 5.840 1.00 0.00 ? 7 DC A "H1'" 5 +ATOM 2770 H H41 . DC A 1 16 B -0.323 0.007 6.592 1.00 0.00 ? 7 DC A H41 5 +ATOM 2771 H H42 . DC A 1 16 B -1.573 -0.861 7.494 1.00 0.00 ? 7 DC A H42 5 +ATOM 2772 H H5 . DC A 1 16 B -3.943 -0.175 7.162 1.00 0.00 ? 7 DC A H5 5 +ATOM 2773 H H6 . DC A 1 16 B -5.278 1.812 6.719 1.00 0.00 ? 7 DC A H6 5 +ATOM 2774 P P . DC A 1 17 B -6.515 5.847 2.092 1.00 0.00 ? 8 DC A P 5 +ATOM 2775 O OP1 . DC A 1 17 B -7.279 6.993 1.556 1.00 0.00 ? 8 DC A OP1 5 +ATOM 2776 O OP2 . DC A 1 17 B -6.883 4.468 1.704 1.00 0.00 ? 8 DC A OP2 5 +ATOM 2777 O "O5'" . DC A 1 17 B -4.968 6.068 1.711 1.00 0.00 ? 8 DC A "O5'" 5 +ATOM 2778 C "C5'" . DC A 1 17 B -4.446 5.593 0.485 1.00 0.00 ? 8 DC A "C5'" 5 +ATOM 2779 C "C4'" . DC A 1 17 B -2.955 5.953 0.335 1.00 0.00 ? 8 DC A "C4'" 5 +ATOM 2780 O "O4'" . DC A 1 17 B -2.177 5.320 1.350 1.00 0.00 ? 8 DC A "O4'" 5 +ATOM 2781 C "C3'" . DC A 1 17 B -2.427 5.452 -1.020 1.00 0.00 ? 8 DC A "C3'" 5 +ATOM 2782 O "O3'" . DC A 1 17 B -1.435 6.329 -1.519 1.00 0.00 ? 8 DC A "O3'" 5 +ATOM 2783 C "C2'" . DC A 1 17 B -1.832 4.108 -0.617 1.00 0.00 ? 8 DC A "C2'" 5 +ATOM 2784 C "C1'" . DC A 1 17 B -1.249 4.433 0.754 1.00 0.00 ? 8 DC A "C1'" 5 +ATOM 2785 N N1 . DC A 1 17 B -1.125 3.199 1.570 1.00 0.00 ? 8 DC A N1 5 +ATOM 2786 C C2 . DC A 1 17 B 0.118 2.576 1.658 1.00 0.00 ? 8 DC A C2 5 +ATOM 2787 O O2 . DC A 1 17 B 1.109 3.060 1.131 1.00 0.00 ? 8 DC A O2 5 +ATOM 2788 N N3 . DC A 1 17 B 0.260 1.405 2.334 1.00 0.00 ? 8 DC A N3 5 +ATOM 2789 C C4 . DC A 1 17 B -0.810 0.878 2.906 1.00 0.00 ? 8 DC A C4 5 +ATOM 2790 N N4 . DC A 1 17 B -0.617 -0.232 3.559 1.00 0.00 ? 8 DC A N4 5 +ATOM 2791 C C5 . DC A 1 17 B -2.113 1.450 2.823 1.00 0.00 ? 8 DC A C5 5 +ATOM 2792 C C6 . DC A 1 17 B -2.225 2.620 2.151 1.00 0.00 ? 8 DC A C6 5 +ATOM 2793 H "H5'" . DC A 1 17 B -5.000 6.051 -0.337 1.00 0.00 ? 8 DC A "H5'" 5 +ATOM 2794 H "H5''" . DC A 1 17 B -4.562 4.509 0.425 1.00 0.00 ? 8 DC A "H5''" 5 +ATOM 2795 H "H4'" . DC A 1 17 B -2.853 7.037 0.408 1.00 0.00 ? 8 DC A "H4'" 5 +ATOM 2796 H "H3'" . DC A 1 17 B -3.250 5.332 -1.729 1.00 0.00 ? 8 DC A "H3'" 5 +ATOM 2797 H "H2'" . DC A 1 17 B -2.635 3.374 -0.543 1.00 0.00 ? 8 DC A "H2'" 5 +ATOM 2798 H "H2''" . DC A 1 17 B -1.069 3.751 -1.302 1.00 0.00 ? 8 DC A "H2''" 5 +ATOM 2799 H "H1'" . DC A 1 17 B -0.309 4.977 0.638 1.00 0.00 ? 8 DC A "H1'" 5 +ATOM 2800 H H41 . DC A 1 17 B 0.337 -0.557 3.569 1.00 0.00 ? 8 DC A H41 5 +ATOM 2801 H H42 . DC A 1 17 B -1.350 -0.646 4.100 1.00 0.00 ? 8 DC A H42 5 +ATOM 2802 H H5 . DC A 1 17 B -2.979 0.995 3.274 1.00 0.00 ? 8 DC A H5 5 +ATOM 2803 H H6 . DC A 1 17 B -3.192 3.102 2.054 1.00 0.00 ? 8 DC A H6 5 +ATOM 2804 P P . DT A 1 18 B -0.982 6.291 -3.062 1.00 0.00 ? 9 DT A P 5 +ATOM 2805 O OP1 . DT A 1 18 B -0.321 7.574 -3.379 1.00 0.00 ? 9 DT A OP1 5 +ATOM 2806 O OP2 . DT A 1 18 B -2.136 5.841 -3.871 1.00 0.00 ? 9 DT A OP2 5 +ATOM 2807 O "O5'" . DT A 1 18 B 0.129 5.131 -3.104 1.00 0.00 ? 9 DT A "O5'" 5 +ATOM 2808 C "C5'" . DT A 1 18 B 1.493 5.402 -2.827 1.00 0.00 ? 9 DT A "C5'" 5 +ATOM 2809 C "C4'" . DT A 1 18 B 2.335 4.119 -2.900 1.00 0.00 ? 9 DT A "C4'" 5 +ATOM 2810 O "O4'" . DT A 1 18 B 2.001 3.219 -1.856 1.00 0.00 ? 9 DT A "O4'" 5 +ATOM 2811 C "C3'" . DT A 1 18 B 2.139 3.324 -4.202 1.00 0.00 ? 9 DT A "C3'" 5 +ATOM 2812 O "O3'" . DT A 1 18 B 3.202 3.551 -5.105 1.00 0.00 ? 9 DT A "O3'" 5 +ATOM 2813 C "C2'" . DT A 1 18 B 2.177 1.865 -3.743 1.00 0.00 ? 9 DT A "C2'" 5 +ATOM 2814 C "C1'" . DT A 1 18 B 2.483 1.957 -2.249 1.00 0.00 ? 9 DT A "C1'" 5 +ATOM 2815 N N1 . DT A 1 18 B 1.774 0.889 -1.492 1.00 0.00 ? 9 DT A N1 5 +ATOM 2816 C C2 . DT A 1 18 B 2.570 -0.108 -0.939 1.00 0.00 ? 9 DT A C2 5 +ATOM 2817 O O2 . DT A 1 18 B 3.774 -0.211 -1.122 1.00 0.00 ? 9 DT A O2 5 +ATOM 2818 N N3 . DT A 1 18 B 1.944 -1.041 -0.166 1.00 0.00 ? 9 DT A N3 5 +ATOM 2819 C C4 . DT A 1 18 B 0.603 -1.098 0.100 1.00 0.00 ? 9 DT A C4 5 +ATOM 2820 O O4 . DT A 1 18 B 0.212 -1.970 0.866 1.00 0.00 ? 9 DT A O4 5 +ATOM 2821 C C5 . DT A 1 18 B -0.215 -0.112 -0.612 1.00 0.00 ? 9 DT A C5 5 +ATOM 2822 C C7 . DT A 1 18 B -1.744 -0.160 -0.554 1.00 0.00 ? 9 DT A C7 5 +ATOM 2823 C C6 . DT A 1 18 B 0.388 0.842 -1.377 1.00 0.00 ? 9 DT A C6 5 +ATOM 2824 H "H5'" . DT A 1 18 B 1.600 5.840 -1.832 1.00 0.00 ? 9 DT A "H5'" 5 +ATOM 2825 H "H5''" . DT A 1 18 B 1.884 6.106 -3.565 1.00 0.00 ? 9 DT A "H5''" 5 +ATOM 2826 H "H4'" . DT A 1 18 B 3.389 4.386 -2.789 1.00 0.00 ? 9 DT A "H4'" 5 +ATOM 2827 H "H3'" . DT A 1 18 B 1.188 3.543 -4.691 1.00 0.00 ? 9 DT A "H3'" 5 +ATOM 2828 H "H2'" . DT A 1 18 B 1.196 1.429 -3.931 1.00 0.00 ? 9 DT A "H2'" 5 +ATOM 2829 H "H2''" . DT A 1 18 B 2.924 1.265 -4.250 1.00 0.00 ? 9 DT A "H2''" 5 +ATOM 2830 H "H1'" . DT A 1 18 B 3.586 1.973 -2.119 1.00 0.00 ? 9 DT A "H1'" 5 +ATOM 2831 H H3 . DT A 1 18 B 2.529 -1.769 0.219 1.00 0.00 ? 9 DT A H3 5 +ATOM 2832 H H71 . DT A 1 18 B -2.087 -0.966 0.098 1.00 0.00 ? 9 DT A H71 5 +ATOM 2833 H H72 . DT A 1 18 B -2.147 0.776 -0.169 1.00 0.00 ? 9 DT A H72 5 +ATOM 2834 H H73 . DT A 1 18 B -2.150 -0.331 -1.553 1.00 0.00 ? 9 DT A H73 5 +ATOM 2835 H H6 . DT A 1 18 B -0.253 1.543 -1.910 1.00 0.00 ? 9 DT A H6 5 +ATOM 2836 O "O5'" . DA A 1 1 ? 8.023 -10.510 -0.115 1.00 0.00 ? 1 DA A "O5'" 6 +ATOM 2837 C "C5'" . DA A 1 1 ? 8.692 -9.659 0.792 1.00 0.00 ? 1 DA A "C5'" 6 +ATOM 2838 C "C4'" . DA A 1 1 ? 8.731 -8.236 0.217 1.00 0.00 ? 1 DA A "C4'" 6 +ATOM 2839 O "O4'" . DA A 1 1 ? 7.396 -7.785 -0.001 1.00 0.00 ? 1 DA A "O4'" 6 +ATOM 2840 C "C3'" . DA A 1 1 ? 9.402 -7.239 1.182 1.00 0.00 ? 1 DA A "C3'" 6 +ATOM 2841 O "O3'" . DA A 1 1 ? 10.268 -6.372 0.480 1.00 0.00 ? 1 DA A "O3'" 6 +ATOM 2842 C "C2'" . DA A 1 1 ? 8.191 -6.486 1.716 1.00 0.00 ? 1 DA A "C2'" 6 +ATOM 2843 C "C1'" . DA A 1 1 ? 7.311 -6.455 0.472 1.00 0.00 ? 1 DA A "C1'" 6 +ATOM 2844 N N9 . DA A 1 1 ? 5.919 -6.130 0.833 1.00 0.00 ? 1 DA A N9 6 +ATOM 2845 C C8 . DA A 1 1 ? 5.030 -6.881 1.559 1.00 0.00 ? 1 DA A C8 6 +ATOM 2846 N N7 . DA A 1 1 ? 3.871 -6.313 1.748 1.00 0.00 ? 1 DA A N7 6 +ATOM 2847 C C5 . DA A 1 1 ? 4.016 -5.079 1.101 1.00 0.00 ? 1 DA A C5 6 +ATOM 2848 C C6 . DA A 1 1 ? 3.192 -3.948 0.899 1.00 0.00 ? 1 DA A C6 6 +ATOM 2849 N N6 . DA A 1 1 ? 1.957 -3.838 1.348 1.00 0.00 ? 1 DA A N6 6 +ATOM 2850 N N1 . DA A 1 1 ? 3.623 -2.893 0.193 1.00 0.00 ? 1 DA A N1 6 +ATOM 2851 C C2 . DA A 1 1 ? 4.857 -2.933 -0.298 1.00 0.00 ? 1 DA A C2 6 +ATOM 2852 N N3 . DA A 1 1 ? 5.739 -3.920 -0.186 1.00 0.00 ? 1 DA A N3 6 +ATOM 2853 C C4 . DA A 1 1 ? 5.258 -4.967 0.537 1.00 0.00 ? 1 DA A C4 6 +ATOM 2854 H "H5'" . DA A 1 1 ? 9.705 -10.030 0.950 1.00 0.00 ? 1 DA A "H5'" 6 +ATOM 2855 H "H5''" . DA A 1 1 ? 8.157 -9.662 1.743 1.00 0.00 ? 1 DA A "H5''" 6 +ATOM 2856 H "H4'" . DA A 1 1 ? 9.271 -8.254 -0.732 1.00 0.00 ? 1 DA A "H4'" 6 +ATOM 2857 H "H3'" . DA A 1 1 ? 9.928 -7.774 1.977 1.00 0.00 ? 1 DA A "H3'" 6 +ATOM 2858 H "H2'" . DA A 1 1 ? 7.751 -7.067 2.525 1.00 0.00 ? 1 DA A "H2'" 6 +ATOM 2859 H "H2''" . DA A 1 1 ? 8.408 -5.484 2.076 1.00 0.00 ? 1 DA A "H2''" 6 +ATOM 2860 H "H1'" . DA A 1 1 ? 7.714 -5.788 -0.296 1.00 0.00 ? 1 DA A "H1'" 6 +ATOM 2861 H H8 . DA A 1 1 ? 5.269 -7.861 1.942 1.00 0.00 ? 1 DA A H8 6 +ATOM 2862 H H61 . DA A 1 1 ? 1.464 -2.974 1.166 1.00 0.00 ? 1 DA A H61 6 +ATOM 2863 H H62 . DA A 1 1 ? 1.595 -4.551 1.955 1.00 0.00 ? 1 DA A H62 6 +ATOM 2864 H H2 . DA A 1 1 ? 5.178 -2.072 -0.862 1.00 0.00 ? 1 DA A H2 6 +ATOM 2865 H "HO5'" . DA A 1 1 ? 7.245 -10.034 -0.420 1.00 0.00 ? 1 DA A "HO5'" 6 +ATOM 2866 P P . DG A 1 2 ? 11.294 -5.407 1.260 1.00 0.00 ? 2 DG A P 6 +ATOM 2867 O OP1 . DG A 1 2 ? 12.434 -5.150 0.354 1.00 0.00 ? 2 DG A OP1 6 +ATOM 2868 O OP2 . DG A 1 2 ? 11.534 -5.991 2.596 1.00 0.00 ? 2 DG A OP2 6 +ATOM 2869 O "O5'" . DG A 1 2 ? 10.471 -4.034 1.445 1.00 0.00 ? 2 DG A "O5'" 6 +ATOM 2870 C "C5'" . DG A 1 2 ? 10.337 -3.116 0.372 1.00 0.00 ? 2 DG A "C5'" 6 +ATOM 2871 C "C4'" . DG A 1 2 ? 9.539 -1.861 0.763 1.00 0.00 ? 2 DG A "C4'" 6 +ATOM 2872 O "O4'" . DG A 1 2 ? 8.158 -2.149 0.985 1.00 0.00 ? 2 DG A "O4'" 6 +ATOM 2873 C "C3'" . DG A 1 2 ? 10.060 -1.123 2.020 1.00 0.00 ? 2 DG A "C3'" 6 +ATOM 2874 O "O3'" . DG A 1 2 ? 10.211 0.261 1.738 1.00 0.00 ? 2 DG A "O3'" 6 +ATOM 2875 C "C2'" . DG A 1 2 ? 8.885 -1.339 2.972 1.00 0.00 ? 2 DG A "C2'" 6 +ATOM 2876 C "C1'" . DG A 1 2 ? 7.735 -1.242 1.978 1.00 0.00 ? 2 DG A "C1'" 6 +ATOM 2877 N N9 . DG A 1 2 ? 6.421 -1.597 2.548 1.00 0.00 ? 2 DG A N9 6 +ATOM 2878 C C8 . DG A 1 2 ? 6.020 -2.746 3.179 1.00 0.00 ? 2 DG A C8 6 +ATOM 2879 N N7 . DG A 1 2 ? 4.741 -2.792 3.439 1.00 0.00 ? 2 DG A N7 6 +ATOM 2880 C C5 . DG A 1 2 ? 4.264 -1.553 2.988 1.00 0.00 ? 2 DG A C5 6 +ATOM 2881 C C6 . DG A 1 2 ? 2.953 -0.961 2.963 1.00 0.00 ? 2 DG A C6 6 +ATOM 2882 O O6 . DG A 1 2 ? 1.884 -1.444 3.313 1.00 0.00 ? 2 DG A O6 6 +ATOM 2883 N N1 . DG A 1 2 ? 2.912 0.323 2.449 1.00 0.00 ? 2 DG A N1 6 +ATOM 2884 C C2 . DG A 1 2 ? 4.016 0.975 2.015 1.00 0.00 ? 2 DG A C2 6 +ATOM 2885 N N2 . DG A 1 2 ? 3.871 2.226 1.683 1.00 0.00 ? 2 DG A N2 6 +ATOM 2886 N N3 . DG A 1 2 ? 5.241 0.465 2.011 1.00 0.00 ? 2 DG A N3 6 +ATOM 2887 C C4 . DG A 1 2 ? 5.302 -0.806 2.491 1.00 0.00 ? 2 DG A C4 6 +ATOM 2888 H "H5'" . DG A 1 2 ? 9.840 -3.598 -0.473 1.00 0.00 ? 2 DG A "H5'" 6 +ATOM 2889 H "H5''" . DG A 1 2 ? 11.328 -2.788 0.051 1.00 0.00 ? 2 DG A "H5''" 6 +ATOM 2890 H "H4'" . DG A 1 2 ? 9.590 -1.181 -0.091 1.00 0.00 ? 2 DG A "H4'" 6 +ATOM 2891 H "H3'" . DG A 1 2 ? 10.987 -1.561 2.398 1.00 0.00 ? 2 DG A "H3'" 6 +ATOM 2892 H "H2'" . DG A 1 2 ? 8.947 -2.338 3.405 1.00 0.00 ? 2 DG A "H2'" 6 +ATOM 2893 H "H2''" . DG A 1 2 ? 8.832 -0.596 3.763 1.00 0.00 ? 2 DG A "H2''" 6 +ATOM 2894 H "H1'" . DG A 1 2 ? 7.687 -0.251 1.526 1.00 0.00 ? 2 DG A "H1'" 6 +ATOM 2895 H H8 . DG A 1 2 ? 6.692 -3.551 3.432 1.00 0.00 ? 2 DG A H8 6 +ATOM 2896 H H1 . DG A 1 2 ? 2.009 0.781 2.412 1.00 0.00 ? 2 DG A H1 6 +ATOM 2897 H H21 . DG A 1 2 ? 2.967 2.677 1.707 1.00 0.00 ? 2 DG A H21 6 +ATOM 2898 H H22 . DG A 1 2 ? 4.738 2.724 1.572 1.00 0.00 ? 2 DG A H22 6 +ATOM 2899 P P . DG A 1 3 ? 10.890 1.289 2.783 1.00 0.00 ? 3 DG A P 6 +ATOM 2900 O OP1 . DG A 1 3 ? 12.141 1.782 2.171 1.00 0.00 ? 3 DG A OP1 6 +ATOM 2901 O OP2 . DG A 1 3 ? 10.925 0.653 4.117 1.00 0.00 ? 3 DG A OP2 6 +ATOM 2902 O "O5'" . DG A 1 3 ? 9.836 2.515 2.843 1.00 0.00 ? 3 DG A "O5'" 6 +ATOM 2903 C "C5'" . DG A 1 3 ? 8.497 2.320 3.269 1.00 0.00 ? 3 DG A "C5'" 6 +ATOM 2904 C "C4'" . DG A 1 3 ? 7.676 3.623 3.211 1.00 0.00 ? 3 DG A "C4'" 6 +ATOM 2905 O "O4'" . DG A 1 3 ? 6.294 3.277 3.167 1.00 0.00 ? 3 DG A "O4'" 6 +ATOM 2906 C "C3'" . DG A 1 3 ? 7.873 4.515 4.449 1.00 0.00 ? 3 DG A "C3'" 6 +ATOM 2907 O "O3'" . DG A 1 3 ? 7.597 5.865 4.120 1.00 0.00 ? 3 DG A "O3'" 6 +ATOM 2908 C "C2'" . DG A 1 3 ? 6.795 3.949 5.368 1.00 0.00 ? 3 DG A "C2'" 6 +ATOM 2909 C "C1'" . DG A 1 3 ? 5.666 3.675 4.372 1.00 0.00 ? 3 DG A "C1'" 6 +ATOM 2910 N N9 . DG A 1 3 ? 4.777 2.586 4.825 1.00 0.00 ? 3 DG A N9 6 +ATOM 2911 C C8 . DG A 1 3 ? 5.105 1.321 5.241 1.00 0.00 ? 3 DG A C8 6 +ATOM 2912 N N7 . DG A 1 3 ? 4.087 0.589 5.600 1.00 0.00 ? 3 DG A N7 6 +ATOM 2913 C C5 . DG A 1 3 ? 2.992 1.439 5.414 1.00 0.00 ? 3 DG A C5 6 +ATOM 2914 C C6 . DG A 1 3 ? 1.583 1.260 5.628 1.00 0.00 ? 3 DG A C6 6 +ATOM 2915 O O6 . DG A 1 3 ? 0.986 0.275 6.045 1.00 0.00 ? 3 DG A O6 6 +ATOM 2916 N N1 . DG A 1 3 ? 0.819 2.372 5.328 1.00 0.00 ? 3 DG A N1 6 +ATOM 2917 C C2 . DG A 1 3 ? 1.342 3.508 4.806 1.00 0.00 ? 3 DG A C2 6 +ATOM 2918 N N2 . DG A 1 3 ? 0.526 4.488 4.546 1.00 0.00 ? 3 DG A N2 6 +ATOM 2919 N N3 . DG A 1 3 ? 2.634 3.717 4.598 1.00 0.00 ? 3 DG A N3 6 +ATOM 2920 C C4 . DG A 1 3 ? 3.413 2.654 4.930 1.00 0.00 ? 3 DG A C4 6 +ATOM 2921 H "H5'" . DG A 1 3 ? 8.468 1.898 4.275 1.00 0.00 ? 3 DG A "H5'" 6 +ATOM 2922 H "H5''" . DG A 1 3 ? 8.028 1.615 2.586 1.00 0.00 ? 3 DG A "H5''" 6 +ATOM 2923 H "H4'" . DG A 1 3 ? 7.943 4.162 2.300 1.00 0.00 ? 3 DG A "H4'" 6 +ATOM 2924 H "H3'" . DG A 1 3 ? 8.881 4.401 4.856 1.00 0.00 ? 3 DG A "H3'" 6 +ATOM 2925 H "H2'" . DG A 1 3 ? 7.172 3.034 5.822 1.00 0.00 ? 3 DG A "H2'" 6 +ATOM 2926 H "H2''" . DG A 1 3 ? 6.488 4.633 6.157 1.00 0.00 ? 3 DG A "H2''" 6 +ATOM 2927 H "H1'" . DG A 1 3 ? 5.117 4.600 4.186 1.00 0.00 ? 3 DG A "H1'" 6 +ATOM 2928 H H8 . DG A 1 3 ? 6.117 0.953 5.276 1.00 0.00 ? 3 DG A H8 6 +ATOM 2929 H H1 . DG A 1 3 ? -0.180 2.272 5.472 1.00 0.00 ? 3 DG A H1 6 +ATOM 2930 H H21 . DG A 1 3 ? -0.445 4.424 4.809 1.00 0.00 ? 3 DG A H21 6 +ATOM 2931 H H22 . DG A 1 3 ? 0.961 5.329 4.217 1.00 0.00 ? 3 DG A H22 6 +ATOM 2932 P P . DA A 1 4 ? 7.805 7.055 5.184 1.00 0.00 ? 4 DA A P 6 +ATOM 2933 O OP1 . DA A 1 4 ? 8.000 8.312 4.429 1.00 0.00 ? 4 DA A OP1 6 +ATOM 2934 O OP2 . DA A 1 4 ? 8.821 6.620 6.165 1.00 0.00 ? 4 DA A OP2 6 +ATOM 2935 O "O5'" . DA A 1 4 ? 6.382 7.138 5.937 1.00 0.00 ? 4 DA A "O5'" 6 +ATOM 2936 C "C5'" . DA A 1 4 ? 5.280 7.824 5.364 1.00 0.00 ? 4 DA A "C5'" 6 +ATOM 2937 C "C4'" . DA A 1 4 ? 3.994 7.628 6.187 1.00 0.00 ? 4 DA A "C4'" 6 +ATOM 2938 O "O4'" . DA A 1 4 ? 3.595 6.264 6.212 1.00 0.00 ? 4 DA A "O4'" 6 +ATOM 2939 C "C3'" . DA A 1 4 ? 4.102 8.062 7.661 1.00 0.00 ? 4 DA A "C3'" 6 +ATOM 2940 O "O3'" . DA A 1 4 ? 3.572 9.363 7.843 1.00 0.00 ? 4 DA A "O3'" 6 +ATOM 2941 C "C2'" . DA A 1 4 ? 3.238 7.016 8.368 1.00 0.00 ? 4 DA A "C2'" 6 +ATOM 2942 C "C1'" . DA A 1 4 ? 2.656 6.159 7.254 1.00 0.00 ? 4 DA A "C1'" 6 +ATOM 2943 N N9 . DA A 1 4 ? 2.494 4.770 7.719 1.00 0.00 ? 4 DA A N9 6 +ATOM 2944 C C8 . DA A 1 4 ? 3.461 3.837 8.006 1.00 0.00 ? 4 DA A C8 6 +ATOM 2945 N N7 . DA A 1 4 ? 2.988 2.700 8.440 1.00 0.00 ? 4 DA A N7 6 +ATOM 2946 C C5 . DA A 1 4 ? 1.605 2.915 8.463 1.00 0.00 ? 4 DA A C5 6 +ATOM 2947 C C6 . DA A 1 4 ? 0.475 2.144 8.815 1.00 0.00 ? 4 DA A C6 6 +ATOM 2948 N N6 . DA A 1 4 ? 0.538 0.897 9.230 1.00 0.00 ? 4 DA A N6 6 +ATOM 2949 N N1 . DA A 1 4 ? -0.761 2.659 8.778 1.00 0.00 ? 4 DA A N1 6 +ATOM 2950 C C2 . DA A 1 4 ? -0.895 3.917 8.374 1.00 0.00 ? 4 DA A C2 6 +ATOM 2951 N N3 . DA A 1 4 ? 0.067 4.750 7.993 1.00 0.00 ? 4 DA A N3 6 +ATOM 2952 C C4 . DA A 1 4 ? 1.303 4.185 8.058 1.00 0.00 ? 4 DA A C4 6 +ATOM 2953 H "H5'" . DA A 1 4 ? 5.096 7.458 4.351 1.00 0.00 ? 4 DA A "H5'" 6 +ATOM 2954 H "H5''" . DA A 1 4 ? 5.500 8.892 5.315 1.00 0.00 ? 4 DA A "H5''" 6 +ATOM 2955 H "H4'" . DA A 1 4 ? 3.196 8.199 5.705 1.00 0.00 ? 4 DA A "H4'" 6 +ATOM 2956 H "H3'" . DA A 1 4 ? 5.139 8.002 8.004 1.00 0.00 ? 4 DA A "H3'" 6 +ATOM 2957 H "H2'" . DA A 1 4 ? 3.897 6.440 9.018 1.00 0.00 ? 4 DA A "H2'" 6 +ATOM 2958 H "H2''" . DA A 1 4 ? 2.415 7.417 8.942 1.00 0.00 ? 4 DA A "H2''" 6 +ATOM 2959 H "H1'" . DA A 1 4 ? 1.705 6.595 6.914 1.00 0.00 ? 4 DA A "H1'" 6 +ATOM 2960 H H8 . DA A 1 4 ? 4.524 4.017 7.896 1.00 0.00 ? 4 DA A H8 6 +ATOM 2961 H H61 . DA A 1 4 ? -0.337 0.433 9.419 1.00 0.00 ? 4 DA A H61 6 +ATOM 2962 H H62 . DA A 1 4 ? 1.428 0.429 9.251 1.00 0.00 ? 4 DA A H62 6 +ATOM 2963 H H2 . DA A 1 4 ? -1.900 4.307 8.350 1.00 0.00 ? 4 DA A H2 6 +ATOM 2964 P P . DT A 1 5 ? 3.552 10.089 9.286 1.00 0.00 ? 5 DT A P 6 +ATOM 2965 O OP1 . DT A 1 5 ? 3.417 11.543 9.057 1.00 0.00 ? 5 DT A OP1 6 +ATOM 2966 O OP2 . DT A 1 5 ? 4.684 9.568 10.080 1.00 0.00 ? 5 DT A OP2 6 +ATOM 2967 O "O5'" . DT A 1 5 ? 2.185 9.572 9.973 1.00 0.00 ? 5 DT A "O5'" 6 +ATOM 2968 C "C5'" . DT A 1 5 ? 0.921 9.857 9.396 1.00 0.00 ? 5 DT A "C5'" 6 +ATOM 2969 C "C4'" . DT A 1 5 ? -0.236 9.162 10.138 1.00 0.00 ? 5 DT A "C4'" 6 +ATOM 2970 O "O4'" . DT A 1 5 ? -0.116 7.741 10.107 1.00 0.00 ? 5 DT A "O4'" 6 +ATOM 2971 C "C3'" . DT A 1 5 ? -0.399 9.577 11.614 1.00 0.00 ? 5 DT A "C3'" 6 +ATOM 2972 O "O3'" . DT A 1 5 ? -1.743 9.943 11.873 1.00 0.00 ? 5 DT A "O3'" 6 +ATOM 2973 C "C2'" . DT A 1 5 ? -0.022 8.286 12.336 1.00 0.00 ? 5 DT A "C2'" 6 +ATOM 2974 C "C1'" . DT A 1 5 ? -0.562 7.247 11.354 1.00 0.00 ? 5 DT A "C1'" 6 +ATOM 2975 N N1 . DT A 1 5 ? -0.001 5.882 11.576 1.00 0.00 ? 5 DT A N1 6 +ATOM 2976 C C2 . DT A 1 5 ? -0.913 4.838 11.747 1.00 0.00 ? 5 DT A C2 6 +ATOM 2977 O O2 . DT A 1 5 ? -2.125 4.978 11.795 1.00 0.00 ? 5 DT A O2 6 +ATOM 2978 N N3 . DT A 1 5 ? -0.401 3.576 11.889 1.00 0.00 ? 5 DT A N3 6 +ATOM 2979 C C4 . DT A 1 5 ? 0.931 3.252 11.910 1.00 0.00 ? 5 DT A C4 6 +ATOM 2980 O O4 . DT A 1 5 ? 1.241 2.092 12.150 1.00 0.00 ? 5 DT A O4 6 +ATOM 2981 C C5 . DT A 1 5 ? 1.851 4.365 11.683 1.00 0.00 ? 5 DT A C5 6 +ATOM 2982 C C7 . DT A 1 5 ? 3.365 4.144 11.649 1.00 0.00 ? 5 DT A C7 6 +ATOM 2983 C C6 . DT A 1 5 ? 1.363 5.626 11.535 1.00 0.00 ? 5 DT A C6 6 +ATOM 2984 H "H5'" . DT A 1 5 ? 0.901 9.518 8.357 1.00 0.00 ? 5 DT A "H5'" 6 +ATOM 2985 H "H5''" . DT A 1 5 ? 0.746 10.935 9.410 1.00 0.00 ? 5 DT A "H5''" 6 +ATOM 2986 H "H4'" . DT A 1 5 ? -1.151 9.420 9.600 1.00 0.00 ? 5 DT A "H4'" 6 +ATOM 2987 H "H3'" . DT A 1 5 ? 0.286 10.392 11.862 1.00 0.00 ? 5 DT A "H3'" 6 +ATOM 2988 H "H2'" . DT A 1 5 ? 1.061 8.266 12.435 1.00 0.00 ? 5 DT A "H2'" 6 +ATOM 2989 H "H2''" . DT A 1 5 ? -0.479 8.190 13.319 1.00 0.00 ? 5 DT A "H2''" 6 +ATOM 2990 H "H1'" . DT A 1 5 ? -1.661 7.288 11.368 1.00 0.00 ? 5 DT A "H1'" 6 +ATOM 2991 H H3 . DT A 1 5 ? -1.077 2.840 12.057 1.00 0.00 ? 5 DT A H3 6 +ATOM 2992 H H71 . DT A 1 5 ? 3.601 3.092 11.476 1.00 0.00 ? 5 DT A H71 6 +ATOM 2993 H H72 . DT A 1 5 ? 3.828 4.720 10.846 1.00 0.00 ? 5 DT A H72 6 +ATOM 2994 H H73 . DT A 1 5 ? 3.806 4.451 12.599 1.00 0.00 ? 5 DT A H73 6 +ATOM 2995 H H6 . DT A 1 5 ? 2.088 6.418 11.393 1.00 0.00 ? 5 DT A H6 6 +ATOM 2996 P P . DC A 1 6 ? -2.197 10.573 13.282 1.00 0.00 ? 6 DC A P 6 +ATOM 2997 O OP1 . DC A 1 6 ? -3.350 11.464 13.037 1.00 0.00 ? 6 DC A OP1 6 +ATOM 2998 O OP2 . DC A 1 6 ? -0.993 11.101 13.960 1.00 0.00 ? 6 DC A OP2 6 +ATOM 2999 O "O5'" . DC A 1 6 ? -2.722 9.298 14.115 1.00 0.00 ? 6 DC A "O5'" 6 +ATOM 3000 C "C5'" . DC A 1 6 ? -2.339 9.088 15.463 1.00 0.00 ? 6 DC A "C5'" 6 +ATOM 3001 C "C4'" . DC A 1 6 ? -3.114 7.914 16.087 1.00 0.00 ? 6 DC A "C4'" 6 +ATOM 3002 O "O4'" . DC A 1 6 ? -2.802 6.683 15.433 1.00 0.00 ? 6 DC A "O4'" 6 +ATOM 3003 C "C3'" . DC A 1 6 ? -2.751 7.735 17.576 1.00 0.00 ? 6 DC A "C3'" 6 +ATOM 3004 O "O3'" . DC A 1 6 ? -3.907 7.514 18.360 1.00 0.00 ? 6 DC A "O3'" 6 +ATOM 3005 C "C2'" . DC A 1 6 ? -1.894 6.476 17.523 1.00 0.00 ? 6 DC A "C2'" 6 +ATOM 3006 C "C1'" . DC A 1 6 ? -2.610 5.696 16.424 1.00 0.00 ? 6 DC A "C1'" 6 +ATOM 3007 N N1 . DC A 1 6 ? -1.761 4.602 15.890 1.00 0.00 ? 6 DC A N1 6 +ATOM 3008 C C2 . DC A 1 6 ? -2.189 3.281 16.026 1.00 0.00 ? 6 DC A C2 6 +ATOM 3009 O O2 . DC A 1 6 ? -3.301 3.006 16.457 1.00 0.00 ? 6 DC A O2 6 +ATOM 3010 N N3 . DC A 1 6 ? -1.367 2.254 15.686 1.00 0.00 ? 6 DC A N3 6 +ATOM 3011 C C4 . DC A 1 6 ? -0.179 2.538 15.186 1.00 0.00 ? 6 DC A C4 6 +ATOM 3012 N N4 . DC A 1 6 ? 0.559 1.519 14.855 1.00 0.00 ? 6 DC A N4 6 +ATOM 3013 C C5 . DC A 1 6 ? 0.295 3.864 14.980 1.00 0.00 ? 6 DC A C5 6 +ATOM 3014 C C6 . DC A 1 6 ? -0.533 4.872 15.338 1.00 0.00 ? 6 DC A C6 6 +ATOM 3015 H "H5'" . DC A 1 6 ? -2.563 9.987 16.044 1.00 0.00 ? 6 DC A "H5'" 6 +ATOM 3016 H "H5''" . DC A 1 6 ? -1.267 8.889 15.525 1.00 0.00 ? 6 DC A "H5''" 6 +ATOM 3017 H "H4'" . DC A 1 6 ? -4.182 8.115 15.987 1.00 0.00 ? 6 DC A "H4'" 6 +ATOM 3018 H "H3'" . DC A 1 6 ? -2.185 8.592 17.953 1.00 0.00 ? 6 DC A "H3'" 6 +ATOM 3019 H "H2'" . DC A 1 6 ? -0.882 6.760 17.237 1.00 0.00 ? 6 DC A "H2'" 6 +ATOM 3020 H "H2''" . DC A 1 6 ? -1.867 5.941 18.469 1.00 0.00 ? 6 DC A "H2''" 6 +ATOM 3021 H "H1'" . DC A 1 6 ? -3.587 5.364 16.783 1.00 0.00 ? 6 DC A "H1'" 6 +ATOM 3022 H H41 . DC A 1 6 ? 0.146 0.624 15.065 1.00 0.00 ? 6 DC A H41 6 +ATOM 3023 H H42 . DC A 1 6 ? 1.299 1.644 14.185 1.00 0.00 ? 6 DC A H42 6 +ATOM 3024 H H5 . DC A 1 6 ? 1.274 4.081 14.585 1.00 0.00 ? 6 DC A H5 6 +ATOM 3025 H H6 . DC A 1 6 ? -0.217 5.899 15.198 1.00 0.00 ? 6 DC A H6 6 +ATOM 3026 P P . DC A 1 7 ? -3.849 7.550 19.968 1.00 0.00 ? 7 DC A P 6 +ATOM 3027 O OP1 . DC A 1 7 ? -4.772 8.605 20.435 1.00 0.00 ? 7 DC A OP1 6 +ATOM 3028 O OP2 . DC A 1 7 ? -2.430 7.571 20.383 1.00 0.00 ? 7 DC A OP2 6 +ATOM 3029 O "O5'" . DC A 1 7 ? -4.459 6.119 20.371 1.00 0.00 ? 7 DC A "O5'" 6 +ATOM 3030 C "C5'" . DC A 1 7 ? -5.831 5.826 20.170 1.00 0.00 ? 7 DC A "C5'" 6 +ATOM 3031 C "C4'" . DC A 1 7 ? -6.155 4.362 20.515 1.00 0.00 ? 7 DC A "C4'" 6 +ATOM 3032 O "O4'" . DC A 1 7 ? -5.393 3.492 19.685 1.00 0.00 ? 7 DC A "O4'" 6 +ATOM 3033 C "C3'" . DC A 1 7 ? -5.868 3.989 21.983 1.00 0.00 ? 7 DC A "C3'" 6 +ATOM 3034 O "O3'" . DC A 1 7 ? -6.852 3.079 22.443 1.00 0.00 ? 7 DC A "O3'" 6 +ATOM 3035 C "C2'" . DC A 1 7 ? -4.529 3.279 21.853 1.00 0.00 ? 7 DC A "C2'" 6 +ATOM 3036 C "C1'" . DC A 1 7 ? -4.720 2.570 20.515 1.00 0.00 ? 7 DC A "C1'" 6 +ATOM 3037 N N1 . DC A 1 7 ? -3.416 2.215 19.905 1.00 0.00 ? 7 DC A N1 6 +ATOM 3038 C C2 . DC A 1 7 ? -3.102 0.871 19.752 1.00 0.00 ? 7 DC A C2 6 +ATOM 3039 O O2 . DC A 1 7 ? -3.898 -0.004 20.055 1.00 0.00 ? 7 DC A O2 6 +ATOM 3040 N N3 . DC A 1 7 ? -1.891 0.494 19.272 1.00 0.00 ? 7 DC A N3 6 +ATOM 3041 C C4 . DC A 1 7 ? -1.037 1.432 18.907 1.00 0.00 ? 7 DC A C4 6 +ATOM 3042 N N4 . DC A 1 7 ? 0.116 0.998 18.482 1.00 0.00 ? 7 DC A N4 6 +ATOM 3043 C C5 . DC A 1 7 ? -1.296 2.827 19.039 1.00 0.00 ? 7 DC A C5 6 +ATOM 3044 C C6 . DC A 1 7 ? -2.506 3.178 19.541 1.00 0.00 ? 7 DC A C6 6 +ATOM 3045 H "H5'" . DC A 1 7 ? -6.098 5.994 19.124 1.00 0.00 ? 7 DC A "H5'" 6 +ATOM 3046 H "H5''" . DC A 1 7 ? -6.446 6.478 20.793 1.00 0.00 ? 7 DC A "H5''" 6 +ATOM 3047 H "H4'" . DC A 1 7 ? -7.215 4.206 20.305 1.00 0.00 ? 7 DC A "H4'" 6 +ATOM 3048 H "H3'" . DC A 1 7 ? -5.803 4.889 22.600 1.00 0.00 ? 7 DC A "H3'" 6 +ATOM 3049 H "H2'" . DC A 1 7 ? -3.734 4.024 21.817 1.00 0.00 ? 7 DC A "H2'" 6 +ATOM 3050 H "H2''" . DC A 1 7 ? -4.341 2.572 22.660 1.00 0.00 ? 7 DC A "H2''" 6 +ATOM 3051 H "H1'" . DC A 1 7 ? -5.392 1.722 20.661 1.00 0.00 ? 7 DC A "H1'" 6 +ATOM 3052 H H41 . DC A 1 7 ? 0.213 -0.007 18.494 1.00 0.00 ? 7 DC A H41 6 +ATOM 3053 H H42 . DC A 1 7 ? 0.825 1.628 18.164 1.00 0.00 ? 7 DC A H42 6 +ATOM 3054 H H5 . DC A 1 7 ? -0.578 3.583 18.768 1.00 0.00 ? 7 DC A H5 6 +ATOM 3055 H H6 . DC A 1 7 ? -2.760 4.222 19.668 1.00 0.00 ? 7 DC A H6 6 +ATOM 3056 P P . DT A 1 8 ? -7.159 2.857 24.009 1.00 0.00 ? 8 DT A P 6 +ATOM 3057 O OP1 . DT A 1 8 ? -8.515 2.280 24.109 1.00 0.00 ? 8 DT A OP1 6 +ATOM 3058 O OP2 . DT A 1 8 ? -6.859 4.125 24.708 1.00 0.00 ? 8 DT A OP2 6 +ATOM 3059 O "O5'" . DT A 1 8 ? -6.114 1.732 24.519 1.00 0.00 ? 8 DT A "O5'" 6 +ATOM 3060 C "C5'" . DT A 1 8 ? -5.094 2.021 25.466 1.00 0.00 ? 8 DT A "C5'" 6 +ATOM 3061 C "C4'" . DT A 1 8 ? -4.531 0.735 26.104 1.00 0.00 ? 8 DT A "C4'" 6 +ATOM 3062 O "O4'" . DT A 1 8 ? -3.829 -0.100 25.178 1.00 0.00 ? 8 DT A "O4'" 6 +ATOM 3063 C "C3'" . DT A 1 8 ? -3.547 1.040 27.255 1.00 0.00 ? 8 DT A "C3'" 6 +ATOM 3064 O "O3'" . DT A 1 8 ? -3.903 0.466 28.501 1.00 0.00 ? 8 DT A "O3'" 6 +ATOM 3065 C "C2'" . DT A 1 8 ? -2.265 0.406 26.728 1.00 0.00 ? 8 DT A "C2'" 6 +ATOM 3066 C "C1'" . DT A 1 8 ? -2.806 -0.755 25.900 1.00 0.00 ? 8 DT A "C1'" 6 +ATOM 3067 N N1 . DT A 1 8 ? -1.755 -1.322 24.980 1.00 0.00 ? 8 DT A N1 6 +ATOM 3068 C C2 . DT A 1 8 ? -1.230 -2.558 25.370 1.00 0.00 ? 8 DT A C2 6 +ATOM 3069 O O2 . DT A 1 8 ? -1.658 -3.229 26.295 1.00 0.00 ? 8 DT A O2 6 +ATOM 3070 N N3 . DT A 1 8 ? -0.144 -3.038 24.687 1.00 0.00 ? 8 DT A N3 6 +ATOM 3071 C C4 . DT A 1 8 ? 0.495 -2.398 23.662 1.00 0.00 ? 8 DT A C4 6 +ATOM 3072 O O4 . DT A 1 8 ? 1.525 -2.903 23.235 1.00 0.00 ? 8 DT A O4 6 +ATOM 3073 C C5 . DT A 1 8 ? -0.126 -1.148 23.219 1.00 0.00 ? 8 DT A C5 6 +ATOM 3074 C C7 . DT A 1 8 ? 0.498 -0.310 22.102 1.00 0.00 ? 8 DT A C7 6 +ATOM 3075 C C6 . DT A 1 8 ? -1.219 -0.654 23.866 1.00 0.00 ? 8 DT A C6 6 +ATOM 3076 H "H5'" . DT A 1 8 ? -5.513 2.615 26.282 1.00 0.00 ? 8 DT A "H5'" 6 +ATOM 3077 H "H5''" . DT A 1 8 ? -4.290 2.591 24.999 1.00 0.00 ? 8 DT A "H5''" 6 +ATOM 3078 H "H4'" . DT A 1 8 ? -5.370 0.166 26.510 1.00 0.00 ? 8 DT A "H4'" 6 +ATOM 3079 H "H3'" . DT A 1 8 ? -3.409 2.123 27.340 1.00 0.00 ? 8 DT A "H3'" 6 +ATOM 3080 H "H2'" . DT A 1 8 ? -1.706 1.157 26.176 1.00 0.00 ? 8 DT A "H2'" 6 +ATOM 3081 H "H2''" . DT A 1 8 ? -1.657 0.016 27.530 1.00 0.00 ? 8 DT A "H2''" 6 +ATOM 3082 H "H1'" . DT A 1 8 ? -3.263 -1.489 26.610 1.00 0.00 ? 8 DT A "H1'" 6 +ATOM 3083 H H3 . DT A 1 8 ? 0.227 -3.938 24.964 1.00 0.00 ? 8 DT A H3 6 +ATOM 3084 H H71 . DT A 1 8 ? -0.251 -0.060 21.350 1.00 0.00 ? 8 DT A H71 6 +ATOM 3085 H H72 . DT A 1 8 ? 0.899 0.618 22.513 1.00 0.00 ? 8 DT A H72 6 +ATOM 3086 H H73 . DT A 1 8 ? 1.314 -0.843 21.609 1.00 0.00 ? 8 DT A H73 6 +ATOM 3087 H H6 . DT A 1 8 ? -1.610 0.263 23.408 1.00 0.00 ? 8 DT A H6 6 +ATOM 3088 P P . DT A 1 9 ? -3.464 1.198 29.871 1.00 0.00 ? 9 DT A P 6 +ATOM 3089 O OP1 . DT A 1 9 ? -4.342 2.379 30.007 1.00 0.00 ? 9 DT A OP1 6 +ATOM 3090 O OP2 . DT A 1 9 ? -1.994 1.413 29.816 1.00 0.00 ? 9 DT A OP2 6 +ATOM 3091 O "O5'" . DT A 1 9 ? -3.853 0.180 31.085 1.00 0.00 ? 9 DT A "O5'" 6 +ATOM 3092 C "C5'" . DT A 1 9 ? -2.905 -0.616 31.796 1.00 0.00 ? 9 DT A "C5'" 6 +ATOM 3093 C "C4'" . DT A 1 9 ? -2.531 -1.935 31.090 1.00 0.00 ? 9 DT A "C4'" 6 +ATOM 3094 O "O4'" . DT A 1 9 ? -2.091 -1.628 29.782 1.00 0.00 ? 9 DT A "O4'" 6 +ATOM 3095 C "C3'" . DT A 1 9 ? -1.385 -2.702 31.778 1.00 0.00 ? 9 DT A "C3'" 6 +ATOM 3096 O "O3'" . DT A 1 9 ? -1.809 -3.745 32.639 1.00 0.00 ? 9 DT A "O3'" 6 +ATOM 3097 C "C2'" . DT A 1 9 ? -0.600 -3.259 30.589 1.00 0.00 ? 9 DT A "C2'" 6 +ATOM 3098 C "C1'" . DT A 1 9 ? -1.045 -2.474 29.367 1.00 0.00 ? 9 DT A "C1'" 6 +ATOM 3099 N N1 . DT A 1 9 ? 0.093 -1.567 28.879 1.00 0.00 ? 9 DT A N1 6 +ATOM 3100 C C2 . DT A 1 9 ? 0.217 -0.403 29.646 1.00 0.00 ? 9 DT A C2 6 +ATOM 3101 O O2 . DT A 1 9 ? 0.207 -0.371 30.865 1.00 0.00 ? 9 DT A O2 6 +ATOM 3102 N N3 . DT A 1 9 ? 0.412 0.758 28.964 1.00 0.00 ? 9 DT A N3 6 +ATOM 3103 C C4 . DT A 1 9 ? 0.836 0.812 27.662 1.00 0.00 ? 9 DT A C4 6 +ATOM 3104 O O4 . DT A 1 9 ? 0.809 1.882 27.067 1.00 0.00 ? 9 DT A O4 6 +ATOM 3105 C C5 . DT A 1 9 ? 1.301 -0.475 27.131 1.00 0.00 ? 9 DT A C5 6 +ATOM 3106 C C7 . DT A 1 9 ? 2.218 -0.507 25.908 1.00 0.00 ? 9 DT A C7 6 +ATOM 3107 C C6 . DT A 1 9 ? 0.904 -1.641 27.727 1.00 0.00 ? 9 DT A C6 6 +ATOM 3108 H "H5'" . DT A 1 9 ? -3.364 -0.887 32.748 1.00 0.00 ? 9 DT A "H5'" 6 +ATOM 3109 H "H5''" . DT A 1 9 ? -2.019 -0.024 32.026 1.00 0.00 ? 9 DT A "H5''" 6 +ATOM 3110 H "H4'" . DT A 1 9 ? -3.407 -2.582 31.011 1.00 0.00 ? 9 DT A "H4'" 6 +ATOM 3111 H "H3'" . DT A 1 9 ? -0.771 -1.996 32.340 1.00 0.00 ? 9 DT A "H3'" 6 +ATOM 3112 H "H2'" . DT A 1 9 ? 0.463 -3.149 30.772 1.00 0.00 ? 9 DT A "H2'" 6 +ATOM 3113 H "H2''" . DT A 1 9 ? -0.822 -4.309 30.404 1.00 0.00 ? 9 DT A "H2''" 6 +ATOM 3114 H "H1'" . DT A 1 9 ? -1.749 -3.106 28.776 1.00 0.00 ? 9 DT A "H1'" 6 +ATOM 3115 H H3 . DT A 1 9 ? -0.324 1.401 29.274 1.00 0.00 ? 9 DT A H3 6 +ATOM 3116 H H71 . DT A 1 9 ? 1.759 0.043 25.084 1.00 0.00 ? 9 DT A H71 6 +ATOM 3117 H H72 . DT A 1 9 ? 3.163 -0.024 26.157 1.00 0.00 ? 9 DT A H72 6 +ATOM 3118 H H73 . DT A 1 9 ? 2.439 -1.519 25.571 1.00 0.00 ? 9 DT A H73 6 +ATOM 3119 H H6 . DT A 1 9 ? 1.492 -2.501 27.358 1.00 0.00 ? 9 DT A H6 6 +ATOM 3120 P P . DU A 1 10 B -0.742 -4.554 33.547 1.00 0.00 ? 1 DU A P 6 +ATOM 3121 O OP1 . DU A 1 10 B -1.467 -5.528 34.388 1.00 0.00 ? 1 DU A OP1 6 +ATOM 3122 O OP2 . DU A 1 10 B 0.169 -3.574 34.176 1.00 0.00 ? 1 DU A OP2 6 +ATOM 3123 O "O5'" . DU A 1 10 B 0.115 -5.384 32.467 1.00 0.00 ? 1 DU A "O5'" 6 +ATOM 3124 C "C5'" . DU A 1 10 B 1.479 -5.714 32.671 1.00 0.00 ? 1 DU A "C5'" 6 +ATOM 3125 C "C4'" . DU A 1 10 B 2.122 -6.031 31.308 1.00 0.00 ? 1 DU A "C4'" 6 +ATOM 3126 O "O4'" . DU A 1 10 B 2.028 -4.905 30.416 1.00 0.00 ? 1 DU A "O4'" 6 +ATOM 3127 C "C3'" . DU A 1 10 B 3.606 -6.419 31.332 1.00 0.00 ? 1 DU A "C3'" 6 +ATOM 3128 O "O3'" . DU A 1 10 B 3.826 -7.476 30.392 1.00 0.00 ? 1 DU A "O3'" 6 +ATOM 3129 C "C2'" . DU A 1 10 B 4.300 -5.095 30.969 1.00 0.00 ? 1 DU A "C2'" 6 +ATOM 3130 C "C1'" . DU A 1 10 B 3.305 -4.389 30.059 1.00 0.00 ? 1 DU A "C1'" 6 +ATOM 3131 N N1 . DU A 1 10 B 3.346 -2.931 30.216 1.00 0.00 ? 1 DU A N1 6 +ATOM 3132 C C2 . DU A 1 10 B 3.737 -2.081 29.246 1.00 0.00 ? 1 DU A C2 6 +ATOM 3133 O O2 . DU A 1 10 B 4.031 -2.440 28.117 1.00 0.00 ? 1 DU A O2 6 +ATOM 3134 N N3 . DU A 1 10 B 3.826 -0.732 29.488 1.00 0.00 ? 1 DU A N3 6 +ATOM 3135 C C4 . DU A 1 10 B 3.544 -0.122 30.682 1.00 0.00 ? 1 DU A C4 6 +ATOM 3136 O O4 . DU A 1 10 B 3.754 1.078 30.787 1.00 0.00 ? 1 DU A O4 6 +ATOM 3137 C C5 . DU A 1 10 B 3.036 -1.003 31.715 1.00 0.00 ? 1 DU A C5 6 +ATOM 3138 C C6 . DU A 1 10 B 2.919 -2.344 31.504 1.00 0.00 ? 1 DU A C6 6 +ATOM 3139 H "H5'" . DU A 1 10 B 1.540 -6.594 33.313 1.00 0.00 ? 1 DU A "H5'" 6 +ATOM 3140 H "H5''" . DU A 1 10 B 2.035 -4.903 33.140 1.00 0.00 ? 1 DU A "H5''" 6 +ATOM 3141 H "H4'" . DU A 1 10 B 1.538 -6.846 30.856 1.00 0.00 ? 1 DU A "H4'" 6 +ATOM 3142 H "H3'" . DU A 1 10 B 3.881 -6.741 32.350 1.00 0.00 ? 1 DU A "H3'" 6 +ATOM 3143 H "H2'" . DU A 1 10 B 4.501 -4.516 31.868 1.00 0.00 ? 1 DU A "H2'" 6 +ATOM 3144 H "H2''" . DU A 1 10 B 5.254 -5.243 30.447 1.00 0.00 ? 1 DU A "H2''" 6 +ATOM 3145 H "H1'" . DU A 1 10 B 3.485 -4.699 29.020 1.00 0.00 ? 1 DU A "H1'" 6 +ATOM 3146 H H3 . DU A 1 10 B 4.139 -0.152 28.735 1.00 0.00 ? 1 DU A H3 6 +ATOM 3147 H H5 . DU A 1 10 B 2.736 -0.553 32.652 1.00 0.00 ? 1 DU A H5 6 +ATOM 3148 H H6 . DU A 1 10 B 2.482 -2.970 32.273 1.00 0.00 ? 1 DU A H6 6 +ATOM 3149 P P . DT A 1 11 B 5.334 -8.051 30.427 1.00 0.00 ? 2 DT A P 6 +ATOM 3150 O OP1 . DT A 1 11 B 5.670 -8.345 31.837 1.00 0.00 ? 2 DT A OP1 6 +ATOM 3151 O OP2 . DT A 1 11 B 6.208 -7.151 29.641 1.00 0.00 ? 2 DT A OP2 6 +ATOM 3152 O "O5'" . DT A 1 11 B 5.225 -9.455 29.641 1.00 0.00 ? 2 DT A "O5'" 6 +ATOM 3153 C "C5'" . DT A 1 11 B 5.083 -9.530 28.230 1.00 0.00 ? 2 DT A "C5'" 6 +ATOM 3154 C "C4'" . DT A 1 11 B 3.637 -9.323 27.728 1.00 0.00 ? 2 DT A "C4'" 6 +ATOM 3155 O "O4'" . DT A 1 11 B 3.231 -7.959 27.850 1.00 0.00 ? 2 DT A "O4'" 6 +ATOM 3156 C "C3'" . DT A 1 11 B 3.547 -9.683 26.235 1.00 0.00 ? 2 DT A "C3'" 6 +ATOM 3157 O "O3'" . DT A 1 11 B 2.288 -10.254 25.950 1.00 0.00 ? 2 DT A "O3'" 6 +ATOM 3158 C "C2'" . DT A 1 11 B 3.694 -8.304 25.611 1.00 0.00 ? 2 DT A "C2'" 6 +ATOM 3159 C "C1'" . DT A 1 11 B 2.904 -7.432 26.580 1.00 0.00 ? 2 DT A "C1'" 6 +ATOM 3160 N N1 . DT A 1 11 B 3.361 -6.025 26.443 1.00 0.00 ? 2 DT A N1 6 +ATOM 3161 C C2 . DT A 1 11 B 2.629 -5.197 25.593 1.00 0.00 ? 2 DT A C2 6 +ATOM 3162 O O2 . DT A 1 11 B 1.461 -5.375 25.275 1.00 0.00 ? 2 DT A O2 6 +ATOM 3163 N N3 . DT A 1 11 B 3.270 -4.090 25.107 1.00 0.00 ? 2 DT A N3 6 +ATOM 3164 C C4 . DT A 1 11 B 4.535 -3.679 25.450 1.00 0.00 ? 2 DT A C4 6 +ATOM 3165 O O4 . DT A 1 11 B 4.985 -2.685 24.896 1.00 0.00 ? 2 DT A O4 6 +ATOM 3166 C C5 . DT A 1 11 B 5.209 -4.508 26.454 1.00 0.00 ? 2 DT A C5 6 +ATOM 3167 C C7 . DT A 1 11 B 6.591 -4.136 26.993 1.00 0.00 ? 2 DT A C7 6 +ATOM 3168 C C6 . DT A 1 11 B 4.603 -5.636 26.914 1.00 0.00 ? 2 DT A C6 6 +ATOM 3169 H "H5'" . DT A 1 11 B 5.375 -10.549 27.972 1.00 0.00 ? 2 DT A "H5'" 6 +ATOM 3170 H "H5''" . DT A 1 11 B 5.772 -8.855 27.719 1.00 0.00 ? 2 DT A "H5''" 6 +ATOM 3171 H "H4'" . DT A 1 11 B 2.973 -9.964 28.311 1.00 0.00 ? 2 DT A "H4'" 6 +ATOM 3172 H "H3'" . DT A 1 11 B 4.353 -10.357 25.933 1.00 0.00 ? 2 DT A "H3'" 6 +ATOM 3173 H "H2'" . DT A 1 11 B 4.753 -8.047 25.592 1.00 0.00 ? 2 DT A "H2'" 6 +ATOM 3174 H "H2''" . DT A 1 11 B 3.303 -8.229 24.609 1.00 0.00 ? 2 DT A "H2''" 6 +ATOM 3175 H "H1'" . DT A 1 11 B 1.828 -7.567 26.413 1.00 0.00 ? 2 DT A "H1'" 6 +ATOM 3176 H H3 . DT A 1 11 B 2.785 -3.569 24.392 1.00 0.00 ? 2 DT A H3 6 +ATOM 3177 H H71 . DT A 1 11 B 7.361 -4.512 26.318 1.00 0.00 ? 2 DT A H71 6 +ATOM 3178 H H72 . DT A 1 11 B 6.685 -3.050 27.067 1.00 0.00 ? 2 DT A H72 6 +ATOM 3179 H H73 . DT A 1 11 B 6.759 -4.560 27.987 1.00 0.00 ? 2 DT A H73 6 +ATOM 3180 H H6 . DT A 1 11 B 5.110 -6.232 27.666 1.00 0.00 ? 2 DT A H6 6 +ATOM 3181 P P . DG A 1 12 B 1.951 -10.886 24.509 1.00 0.00 ? 3 DG A P 6 +ATOM 3182 O OP1 . DG A 1 12 B 1.149 -12.106 24.735 1.00 0.00 ? 3 DG A OP1 6 +ATOM 3183 O OP2 . DG A 1 12 B 3.207 -10.961 23.732 1.00 0.00 ? 3 DG A OP2 6 +ATOM 3184 O "O5'" . DG A 1 12 B 1.001 -9.774 23.839 1.00 0.00 ? 3 DG A "O5'" 6 +ATOM 3185 C "C5'" . DG A 1 12 B -0.184 -9.348 24.490 1.00 0.00 ? 3 DG A "C5'" 6 +ATOM 3186 C "C4'" . DG A 1 12 B -1.023 -8.395 23.626 1.00 0.00 ? 3 DG A "C4'" 6 +ATOM 3187 O "O4'" . DG A 1 12 B -0.299 -7.233 23.204 1.00 0.00 ? 3 DG A "O4'" 6 +ATOM 3188 C "C3'" . DG A 1 12 B -1.636 -9.051 22.363 1.00 0.00 ? 3 DG A "C3'" 6 +ATOM 3189 O "O3'" . DG A 1 12 B -3.040 -8.849 22.328 1.00 0.00 ? 3 DG A "O3'" 6 +ATOM 3190 C "C2'" . DG A 1 12 B -0.941 -8.237 21.274 1.00 0.00 ? 3 DG A "C2'" 6 +ATOM 3191 C "C1'" . DG A 1 12 B -0.872 -6.878 21.967 1.00 0.00 ? 3 DG A "C1'" 6 +ATOM 3192 N N9 . DG A 1 12 B -0.167 -5.800 21.226 1.00 0.00 ? 3 DG A N9 6 +ATOM 3193 C C8 . DG A 1 12 B 1.102 -5.736 20.705 1.00 0.00 ? 3 DG A C8 6 +ATOM 3194 N N7 . DG A 1 12 B 1.389 -4.611 20.107 1.00 0.00 ? 3 DG A N7 6 +ATOM 3195 C C5 . DG A 1 12 B 0.214 -3.864 20.225 1.00 0.00 ? 3 DG A C5 6 +ATOM 3196 C C6 . DG A 1 12 B -0.159 -2.555 19.758 1.00 0.00 ? 3 DG A C6 6 +ATOM 3197 O O6 . DG A 1 12 B 0.506 -1.730 19.142 1.00 0.00 ? 3 DG A O6 6 +ATOM 3198 N N1 . DG A 1 12 B -1.458 -2.195 20.063 1.00 0.00 ? 3 DG A N1 6 +ATOM 3199 C C2 . DG A 1 12 B -2.319 -3.011 20.715 1.00 0.00 ? 3 DG A C2 6 +ATOM 3200 N N2 . DG A 1 12 B -3.571 -2.667 20.719 1.00 0.00 ? 3 DG A N2 6 +ATOM 3201 N N3 . DG A 1 12 B -2.023 -4.232 21.135 1.00 0.00 ? 3 DG A N3 6 +ATOM 3202 C C4 . DG A 1 12 B -0.739 -4.600 20.887 1.00 0.00 ? 3 DG A C4 6 +ATOM 3203 H "H5'" . DG A 1 12 B 0.074 -8.828 25.415 1.00 0.00 ? 3 DG A "H5'" 6 +ATOM 3204 H "H5''" . DG A 1 12 B -0.808 -10.208 24.744 1.00 0.00 ? 3 DG A "H5''" 6 +ATOM 3205 H "H4'" . DG A 1 12 B -1.843 -8.049 24.260 1.00 0.00 ? 3 DG A "H4'" 6 +ATOM 3206 H "H3'" . DG A 1 12 B -1.385 -10.113 22.300 1.00 0.00 ? 3 DG A "H3'" 6 +ATOM 3207 H "H2'" . DG A 1 12 B 0.008 -8.715 21.077 1.00 0.00 ? 3 DG A "H2'" 6 +ATOM 3208 H "H2''" . DG A 1 12 B -1.464 -8.185 20.337 1.00 0.00 ? 3 DG A "H2''" 6 +ATOM 3209 H "H1'" . DG A 1 12 B -1.884 -6.532 22.181 1.00 0.00 ? 3 DG A "H1'" 6 +ATOM 3210 H H8 . DG A 1 12 B 1.823 -6.529 20.745 1.00 0.00 ? 3 DG A H8 6 +ATOM 3211 H H1 . DG A 1 12 B -1.759 -1.283 19.742 1.00 0.00 ? 3 DG A H1 6 +ATOM 3212 H H21 . DG A 1 12 B -3.858 -1.799 20.297 1.00 0.00 ? 3 DG A H21 6 +ATOM 3213 H H22 . DG A 1 12 B -4.190 -3.452 20.839 1.00 0.00 ? 3 DG A H22 6 +ATOM 3214 P P . DG A 1 13 B -3.982 -9.554 21.224 1.00 0.00 ? 4 DG A P 6 +ATOM 3215 O OP1 . DG A 1 13 B -4.874 -10.500 21.926 1.00 0.00 ? 4 DG A OP1 6 +ATOM 3216 O OP2 . DG A 1 13 B -3.132 -10.032 20.113 1.00 0.00 ? 4 DG A OP2 6 +ATOM 3217 O "O5'" . DG A 1 13 B -4.874 -8.327 20.671 1.00 0.00 ? 4 DG A "O5'" 6 +ATOM 3218 C "C5'" . DG A 1 13 B -4.262 -7.168 20.136 1.00 0.00 ? 4 DG A "C5'" 6 +ATOM 3219 C "C4'" . DG A 1 13 B -5.290 -6.133 19.646 1.00 0.00 ? 4 DG A "C4'" 6 +ATOM 3220 O "O4'" . DG A 1 13 B -4.584 -4.915 19.427 1.00 0.00 ? 4 DG A "O4'" 6 +ATOM 3221 C "C3'" . DG A 1 13 B -5.944 -6.508 18.305 1.00 0.00 ? 4 DG A "C3'" 6 +ATOM 3222 O "O3'" . DG A 1 13 B -7.192 -5.845 18.177 1.00 0.00 ? 4 DG A "O3'" 6 +ATOM 3223 C "C2'" . DG A 1 13 B -4.921 -5.915 17.346 1.00 0.00 ? 4 DG A "C2'" 6 +ATOM 3224 C "C1'" . DG A 1 13 B -4.616 -4.590 18.050 1.00 0.00 ? 4 DG A "C1'" 6 +ATOM 3225 N N9 . DG A 1 13 B -3.328 -3.990 17.634 1.00 0.00 ? 4 DG A N9 6 +ATOM 3226 C C8 . DG A 1 13 B -2.082 -4.562 17.544 1.00 0.00 ? 4 DG A C8 6 +ATOM 3227 N N7 . DG A 1 13 B -1.168 -3.779 17.040 1.00 0.00 ? 4 DG A N7 6 +ATOM 3228 C C5 . DG A 1 13 B -1.848 -2.579 16.806 1.00 0.00 ? 4 DG A C5 6 +ATOM 3229 C C6 . DG A 1 13 B -1.418 -1.302 16.300 1.00 0.00 ? 4 DG A C6 6 +ATOM 3230 O O6 . DG A 1 13 B -0.322 -0.970 15.866 1.00 0.00 ? 4 DG A O6 6 +ATOM 3231 N N1 . DG A 1 13 B -2.396 -0.326 16.312 1.00 0.00 ? 4 DG A N1 6 +ATOM 3232 C C2 . DG A 1 13 B -3.654 -0.551 16.754 1.00 0.00 ? 4 DG A C2 6 +ATOM 3233 N N2 . DG A 1 13 B -4.482 0.453 16.695 1.00 0.00 ? 4 DG A N2 6 +ATOM 3234 N N3 . DG A 1 13 B -4.106 -1.723 17.184 1.00 0.00 ? 4 DG A N3 6 +ATOM 3235 C C4 . DG A 1 13 B -3.160 -2.700 17.195 1.00 0.00 ? 4 DG A C4 6 +ATOM 3236 H "H5'" . DG A 1 13 B -3.580 -7.432 19.327 1.00 0.00 ? 4 DG A "H5'" 6 +ATOM 3237 H "H5''" . DG A 1 13 B -3.689 -6.693 20.931 1.00 0.00 ? 4 DG A "H5''" 6 +ATOM 3238 H "H4'" . DG A 1 13 B -6.046 -5.994 20.420 1.00 0.00 ? 4 DG A "H4'" 6 +ATOM 3239 H "H3'" . DG A 1 13 B -6.055 -7.590 18.193 1.00 0.00 ? 4 DG A "H3'" 6 +ATOM 3240 H "H2'" . DG A 1 13 B -4.053 -6.569 17.297 1.00 0.00 ? 4 DG A "H2'" 6 +ATOM 3241 H "H2''" . DG A 1 13 B -5.326 -5.798 16.347 1.00 0.00 ? 4 DG A "H2''" 6 +ATOM 3242 H "H1'" . DG A 1 13 B -5.442 -3.897 17.880 1.00 0.00 ? 4 DG A "H1'" 6 +ATOM 3243 H H8 . DG A 1 13 B -1.848 -5.572 17.849 1.00 0.00 ? 4 DG A H8 6 +ATOM 3244 H H1 . DG A 1 13 B -2.111 0.611 16.054 1.00 0.00 ? 4 DG A H1 6 +ATOM 3245 H H21 . DG A 1 13 B -4.168 1.373 16.424 1.00 0.00 ? 4 DG A H21 6 +ATOM 3246 H H22 . DG A 1 13 B -5.423 0.241 16.973 1.00 0.00 ? 4 DG A H22 6 +ATOM 3247 P P . DA A 1 14 B -8.083 -5.941 16.837 1.00 0.00 ? 5 DA A P 6 +ATOM 3248 O OP1 . DA A 1 14 B -9.504 -5.853 17.232 1.00 0.00 ? 5 DA A OP1 6 +ATOM 3249 O OP2 . DA A 1 14 B -7.609 -7.101 16.054 1.00 0.00 ? 5 DA A OP2 6 +ATOM 3250 O "O5'" . DA A 1 14 B -7.703 -4.593 16.021 1.00 0.00 ? 5 DA A "O5'" 6 +ATOM 3251 C "C5'" . DA A 1 14 B -8.181 -3.322 16.440 1.00 0.00 ? 5 DA A "C5'" 6 +ATOM 3252 C "C4'" . DA A 1 14 B -7.882 -2.187 15.440 1.00 0.00 ? 5 DA A "C4'" 6 +ATOM 3253 O "O4'" . DA A 1 14 B -6.500 -1.836 15.363 1.00 0.00 ? 5 DA A "O4'" 6 +ATOM 3254 C "C3'" . DA A 1 14 B -8.361 -2.447 13.995 1.00 0.00 ? 5 DA A "C3'" 6 +ATOM 3255 O "O3'" . DA A 1 14 B -9.226 -1.419 13.547 1.00 0.00 ? 5 DA A "O3'" 6 +ATOM 3256 C "C2'" . DA A 1 14 B -7.037 -2.413 13.241 1.00 0.00 ? 5 DA A "C2'" 6 +ATOM 3257 C "C1'" . DA A 1 14 B -6.268 -1.371 14.049 1.00 0.00 ? 5 DA A "C1'" 6 +ATOM 3258 N N9 . DA A 1 14 B -4.821 -1.378 13.726 1.00 0.00 ? 5 DA A N9 6 +ATOM 3259 C C8 . DA A 1 14 B -3.946 -2.439 13.712 1.00 0.00 ? 5 DA A C8 6 +ATOM 3260 N N7 . DA A 1 14 B -2.726 -2.133 13.371 1.00 0.00 ? 5 DA A N7 6 +ATOM 3261 C C5 . DA A 1 14 B -2.799 -0.757 13.145 1.00 0.00 ? 5 DA A C5 6 +ATOM 3262 C C6 . DA A 1 14 B -1.875 0.230 12.744 1.00 0.00 ? 5 DA A C6 6 +ATOM 3263 N N6 . DA A 1 14 B -0.615 -0.029 12.461 1.00 0.00 ? 5 DA A N6 6 +ATOM 3264 N N1 . DA A 1 14 B -2.239 1.509 12.589 1.00 0.00 ? 5 DA A N1 6 +ATOM 3265 C C2 . DA A 1 14 B -3.506 1.822 12.842 1.00 0.00 ? 5 DA A C2 6 +ATOM 3266 N N3 . DA A 1 14 B -4.484 1.002 13.223 1.00 0.00 ? 5 DA A N3 6 +ATOM 3267 C C4 . DA A 1 14 B -4.067 -0.287 13.361 1.00 0.00 ? 5 DA A C4 6 +ATOM 3268 H "H5'" . DA A 1 14 B -7.747 -3.064 17.408 1.00 0.00 ? 5 DA A "H5'" 6 +ATOM 3269 H "H5''" . DA A 1 14 B -9.267 -3.363 16.552 1.00 0.00 ? 5 DA A "H5''" 6 +ATOM 3270 H "H4'" . DA A 1 14 B -8.401 -1.302 15.817 1.00 0.00 ? 5 DA A "H4'" 6 +ATOM 3271 H "H3'" . DA A 1 14 B -8.829 -3.430 13.908 1.00 0.00 ? 5 DA A "H3'" 6 +ATOM 3272 H "H2'" . DA A 1 14 B -6.594 -3.405 13.306 1.00 0.00 ? 5 DA A "H2'" 6 +ATOM 3273 H "H2''" . DA A 1 14 B -7.154 -2.133 12.199 1.00 0.00 ? 5 DA A "H2''" 6 +ATOM 3274 H "H1'" . DA A 1 14 B -6.710 -0.373 13.941 1.00 0.00 ? 5 DA A "H1'" 6 +ATOM 3275 H H8 . DA A 1 14 B -4.210 -3.458 13.937 1.00 0.00 ? 5 DA A H8 6 +ATOM 3276 H H61 . DA A 1 14 B -0.030 0.744 12.190 1.00 0.00 ? 5 DA A H61 6 +ATOM 3277 H H62 . DA A 1 14 B -0.278 -0.971 12.560 1.00 0.00 ? 5 DA A H62 6 +ATOM 3278 H H2 . DA A 1 14 B -3.777 2.858 12.714 1.00 0.00 ? 5 DA A H2 6 +ATOM 3279 P P . DT A 1 15 B -9.960 -1.488 12.112 1.00 0.00 ? 6 DT A P 6 +ATOM 3280 O OP1 . DT A 1 15 B -11.389 -1.171 12.316 1.00 0.00 ? 6 DT A OP1 6 +ATOM 3281 O OP2 . DT A 1 15 B -9.570 -2.746 11.440 1.00 0.00 ? 6 DT A OP2 6 +ATOM 3282 O "O5'" . DT A 1 15 B -9.285 -0.267 11.306 1.00 0.00 ? 6 DT A "O5'" 6 +ATOM 3283 C "C5'" . DT A 1 15 B -9.545 1.077 11.676 1.00 0.00 ? 6 DT A "C5'" 6 +ATOM 3284 C "C4'" . DT A 1 15 B -8.795 2.086 10.790 1.00 0.00 ? 6 DT A "C4'" 6 +ATOM 3285 O "O4'" . DT A 1 15 B -7.387 1.903 10.889 1.00 0.00 ? 6 DT A "O4'" 6 +ATOM 3286 C "C3'" . DT A 1 15 B -9.170 2.042 9.295 1.00 0.00 ? 6 DT A "C3'" 6 +ATOM 3287 O "O3'" . DT A 1 15 B -9.470 3.337 8.811 1.00 0.00 ? 6 DT A "O3'" 6 +ATOM 3288 C "C2'" . DT A 1 15 B -7.897 1.472 8.676 1.00 0.00 ? 6 DT A "C2'" 6 +ATOM 3289 C "C1'" . DT A 1 15 B -6.824 2.051 9.604 1.00 0.00 ? 6 DT A "C1'" 6 +ATOM 3290 N N1 . DT A 1 15 B -5.540 1.280 9.590 1.00 0.00 ? 6 DT A N1 6 +ATOM 3291 C C2 . DT A 1 15 B -4.371 2.012 9.370 1.00 0.00 ? 6 DT A C2 6 +ATOM 3292 O O2 . DT A 1 15 B -4.333 3.212 9.147 1.00 0.00 ? 6 DT A O2 6 +ATOM 3293 N N3 . DT A 1 15 B -3.188 1.323 9.384 1.00 0.00 ? 6 DT A N3 6 +ATOM 3294 C C4 . DT A 1 15 B -3.045 -0.020 9.604 1.00 0.00 ? 6 DT A C4 6 +ATOM 3295 O O4 . DT A 1 15 B -1.921 -0.498 9.544 1.00 0.00 ? 6 DT A O4 6 +ATOM 3296 C C5 . DT A 1 15 B -4.281 -0.743 9.883 1.00 0.00 ? 6 DT A C5 6 +ATOM 3297 C C7 . DT A 1 15 B -4.267 -2.248 10.163 1.00 0.00 ? 6 DT A C7 6 +ATOM 3298 C C6 . DT A 1 15 B -5.471 -0.085 9.868 1.00 0.00 ? 6 DT A C6 6 +ATOM 3299 H "H5'" . DT A 1 15 B -9.237 1.239 12.712 1.00 0.00 ? 6 DT A "H5'" 6 +ATOM 3300 H "H5''" . DT A 1 15 B -10.615 1.285 11.598 1.00 0.00 ? 6 DT A "H5''" 6 +ATOM 3301 H "H4'" . DT A 1 15 B -9.024 3.081 11.177 1.00 0.00 ? 6 DT A "H4'" 6 +ATOM 3302 H "H3'" . DT A 1 15 B -10.020 1.371 9.141 1.00 0.00 ? 6 DT A "H3'" 6 +ATOM 3303 H "H2'" . DT A 1 15 B -7.986 0.391 8.699 1.00 0.00 ? 6 DT A "H2'" 6 +ATOM 3304 H "H2''" . DT A 1 15 B -7.747 1.790 7.646 1.00 0.00 ? 6 DT A "H2''" 6 +ATOM 3305 H "H1'" . DT A 1 15 B -6.725 3.130 9.391 1.00 0.00 ? 6 DT A "H1'" 6 +ATOM 3306 H H3 . DT A 1 15 B -2.344 1.857 9.218 1.00 0.00 ? 6 DT A H3 6 +ATOM 3307 H H71 . DT A 1 15 B -4.457 -2.795 9.238 1.00 0.00 ? 6 DT A H71 6 +ATOM 3308 H H72 . DT A 1 15 B -3.298 -2.561 10.559 1.00 0.00 ? 6 DT A H72 6 +ATOM 3309 H H73 . DT A 1 15 B -5.031 -2.524 10.892 1.00 0.00 ? 6 DT A H73 6 +ATOM 3310 H H6 . DT A 1 15 B -6.338 -0.696 10.098 1.00 0.00 ? 6 DT A H6 6 +ATOM 3311 P P . DC A 1 16 B -10.028 3.574 7.318 1.00 0.00 ? 7 DC A P 6 +ATOM 3312 O OP1 . DC A 1 16 B -10.867 4.792 7.330 1.00 0.00 ? 7 DC A OP1 6 +ATOM 3313 O OP2 . DC A 1 16 B -10.583 2.299 6.815 1.00 0.00 ? 7 DC A OP2 6 +ATOM 3314 O "O5'" . DC A 1 16 B -8.683 3.897 6.502 1.00 0.00 ? 7 DC A "O5'" 6 +ATOM 3315 C "C5'" . DC A 1 16 B -8.016 5.136 6.670 1.00 0.00 ? 7 DC A "C5'" 6 +ATOM 3316 C "C4'" . DC A 1 16 B -6.616 5.124 6.041 1.00 0.00 ? 7 DC A "C4'" 6 +ATOM 3317 O "O4'" . DC A 1 16 B -5.806 4.106 6.610 1.00 0.00 ? 7 DC A "O4'" 6 +ATOM 3318 C "C3'" . DC A 1 16 B -6.579 4.877 4.524 1.00 0.00 ? 7 DC A "C3'" 6 +ATOM 3319 O "O3'" . DC A 1 16 B -6.536 6.107 3.826 1.00 0.00 ? 7 DC A "O3'" 6 +ATOM 3320 C "C2'" . DC A 1 16 B -5.278 4.078 4.348 1.00 0.00 ? 7 DC A "C2'" 6 +ATOM 3321 C "C1'" . DC A 1 16 B -4.699 3.984 5.754 1.00 0.00 ? 7 DC A "C1'" 6 +ATOM 3322 N N1 . DC A 1 16 B -3.971 2.710 5.944 1.00 0.00 ? 7 DC A N1 6 +ATOM 3323 C C2 . DC A 1 16 B -2.599 2.721 5.729 1.00 0.00 ? 7 DC A C2 6 +ATOM 3324 O O2 . DC A 1 16 B -2.016 3.739 5.386 1.00 0.00 ? 7 DC A O2 6 +ATOM 3325 N N3 . DC A 1 16 B -1.868 1.591 5.878 1.00 0.00 ? 7 DC A N3 6 +ATOM 3326 C C4 . DC A 1 16 B -2.492 0.483 6.220 1.00 0.00 ? 7 DC A C4 6 +ATOM 3327 N N4 . DC A 1 16 B -1.725 -0.563 6.328 1.00 0.00 ? 7 DC A N4 6 +ATOM 3328 C C5 . DC A 1 16 B -3.906 0.385 6.371 1.00 0.00 ? 7 DC A C5 6 +ATOM 3329 C C6 . DC A 1 16 B -4.616 1.531 6.222 1.00 0.00 ? 7 DC A C6 6 +ATOM 3330 H "H5'" . DC A 1 16 B -7.896 5.360 7.733 1.00 0.00 ? 7 DC A "H5'" 6 +ATOM 3331 H "H5''" . DC A 1 16 B -8.604 5.935 6.211 1.00 0.00 ? 7 DC A "H5''" 6 +ATOM 3332 H "H4'" . DC A 1 16 B -6.146 6.087 6.256 1.00 0.00 ? 7 DC A "H4'" 6 +ATOM 3333 H "H3'" . DC A 1 16 B -7.439 4.275 4.218 1.00 0.00 ? 7 DC A "H3'" 6 +ATOM 3334 H "H2'" . DC A 1 16 B -5.533 3.095 3.949 1.00 0.00 ? 7 DC A "H2'" 6 +ATOM 3335 H "H2''" . DC A 1 16 B -4.550 4.553 3.694 1.00 0.00 ? 7 DC A "H2''" 6 +ATOM 3336 H "H1'" . DC A 1 16 B -4.068 4.857 5.949 1.00 0.00 ? 7 DC A "H1'" 6 +ATOM 3337 H H41 . DC A 1 16 B -0.746 -0.328 6.243 1.00 0.00 ? 7 DC A H41 6 +ATOM 3338 H H42 . DC A 1 16 B -2.070 -1.423 6.708 1.00 0.00 ? 7 DC A H42 6 +ATOM 3339 H H5 . DC A 1 16 B -4.408 -0.543 6.593 1.00 0.00 ? 7 DC A H5 6 +ATOM 3340 H H6 . DC A 1 16 B -5.695 1.519 6.326 1.00 0.00 ? 7 DC A H6 6 +ATOM 3341 P P . DC A 1 17 B -6.424 6.162 2.223 1.00 0.00 ? 8 DC A P 6 +ATOM 3342 O OP1 . DC A 1 17 B -7.092 7.390 1.742 1.00 0.00 ? 8 DC A OP1 6 +ATOM 3343 O OP2 . DC A 1 17 B -6.819 4.845 1.679 1.00 0.00 ? 8 DC A OP2 6 +ATOM 3344 O "O5'" . DC A 1 17 B -4.840 6.338 1.989 1.00 0.00 ? 8 DC A "O5'" 6 +ATOM 3345 C "C5'" . DC A 1 17 B -4.241 5.986 0.757 1.00 0.00 ? 8 DC A "C5'" 6 +ATOM 3346 C "C4'" . DC A 1 17 B -2.734 6.306 0.752 1.00 0.00 ? 8 DC A "C4'" 6 +ATOM 3347 O "O4'" . DC A 1 17 B -2.034 5.507 1.706 1.00 0.00 ? 8 DC A "O4'" 6 +ATOM 3348 C "C3'" . DC A 1 17 B -2.132 5.991 -0.629 1.00 0.00 ? 8 DC A "C3'" 6 +ATOM 3349 O "O3'" . DC A 1 17 B -1.108 6.914 -0.946 1.00 0.00 ? 8 DC A "O3'" 6 +ATOM 3350 C "C2'" . DC A 1 17 B -1.576 4.593 -0.391 1.00 0.00 ? 8 DC A "C2'" 6 +ATOM 3351 C "C1'" . DC A 1 17 B -1.075 4.699 1.046 1.00 0.00 ? 8 DC A "C1'" 6 +ATOM 3352 N N1 . DC A 1 17 B -1.020 3.358 1.684 1.00 0.00 ? 8 DC A N1 6 +ATOM 3353 C C2 . DC A 1 17 B 0.208 2.707 1.790 1.00 0.00 ? 8 DC A C2 6 +ATOM 3354 O O2 . DC A 1 17 B 1.241 3.224 1.386 1.00 0.00 ? 8 DC A O2 6 +ATOM 3355 N N3 . DC A 1 17 B 0.290 1.469 2.347 1.00 0.00 ? 8 DC A N3 6 +ATOM 3356 C C4 . DC A 1 17 B -0.822 0.907 2.792 1.00 0.00 ? 8 DC A C4 6 +ATOM 3357 N N4 . DC A 1 17 B -0.691 -0.270 3.332 1.00 0.00 ? 8 DC A N4 6 +ATOM 3358 C C5 . DC A 1 17 B -2.110 1.504 2.675 1.00 0.00 ? 8 DC A C5 6 +ATOM 3359 C C6 . DC A 1 17 B -2.164 2.735 2.117 1.00 0.00 ? 8 DC A C6 6 +ATOM 3360 H "H5'" . DC A 1 17 B -4.720 6.558 -0.042 1.00 0.00 ? 8 DC A "H5'" 6 +ATOM 3361 H "H5''" . DC A 1 17 B -4.386 4.921 0.560 1.00 0.00 ? 8 DC A "H5''" 6 +ATOM 3362 H "H4'" . DC A 1 17 B -2.606 7.364 0.988 1.00 0.00 ? 8 DC A "H4'" 6 +ATOM 3363 H "H3'" . DC A 1 17 B -2.915 5.983 -1.391 1.00 0.00 ? 8 DC A "H3'" 6 +ATOM 3364 H "H2'" . DC A 1 17 B -2.388 3.871 -0.475 1.00 0.00 ? 8 DC A "H2'" 6 +ATOM 3365 H "H2''" . DC A 1 17 B -0.774 4.331 -1.076 1.00 0.00 ? 8 DC A "H2''" 6 +ATOM 3366 H "H1'" . DC A 1 17 B -0.122 5.234 1.070 1.00 0.00 ? 8 DC A "H1'" 6 +ATOM 3367 H H41 . DC A 1 17 B 0.251 -0.622 3.375 1.00 0.00 ? 8 DC A H41 6 +ATOM 3368 H H42 . DC A 1 17 B -1.464 -0.706 3.796 1.00 0.00 ? 8 DC A H42 6 +ATOM 3369 H H5 . DC A 1 17 B -3.010 1.017 3.011 1.00 0.00 ? 8 DC A H5 6 +ATOM 3370 H H6 . DC A 1 17 B -3.120 3.231 1.996 1.00 0.00 ? 8 DC A H6 6 +ATOM 3371 P P . DT A 1 18 B -0.594 7.106 -2.459 1.00 0.00 ? 9 DT A P 6 +ATOM 3372 O OP1 . DT A 1 18 B 0.118 8.399 -2.542 1.00 0.00 ? 9 DT A OP1 6 +ATOM 3373 O OP2 . DT A 1 18 B -1.725 6.831 -3.370 1.00 0.00 ? 9 DT A OP2 6 +ATOM 3374 O "O5'" . DT A 1 18 B 0.481 5.928 -2.641 1.00 0.00 ? 9 DT A "O5'" 6 +ATOM 3375 C "C5'" . DT A 1 18 B 1.845 6.112 -2.299 1.00 0.00 ? 9 DT A "C5'" 6 +ATOM 3376 C "C4'" . DT A 1 18 B 2.641 4.813 -2.496 1.00 0.00 ? 9 DT A "C4'" 6 +ATOM 3377 O "O4'" . DT A 1 18 B 2.249 3.819 -1.563 1.00 0.00 ? 9 DT A "O4'" 6 +ATOM 3378 C "C3'" . DT A 1 18 B 2.447 4.170 -3.880 1.00 0.00 ? 9 DT A "C3'" 6 +ATOM 3379 O "O3'" . DT A 1 18 B 3.537 4.455 -4.734 1.00 0.00 ? 9 DT A "O3'" 6 +ATOM 3380 C "C2'" . DT A 1 18 B 2.427 2.671 -3.578 1.00 0.00 ? 9 DT A "C2'" 6 +ATOM 3381 C "C1'" . DT A 1 18 B 2.710 2.594 -2.079 1.00 0.00 ? 9 DT A "C1'" 6 +ATOM 3382 N N1 . DT A 1 18 B 1.968 1.465 -1.454 1.00 0.00 ? 9 DT A N1 6 +ATOM 3383 C C2 . DT A 1 18 B 2.737 0.402 -0.994 1.00 0.00 ? 9 DT A C2 6 +ATOM 3384 O O2 . DT A 1 18 B 3.948 0.313 -1.133 1.00 0.00 ? 9 DT A O2 6 +ATOM 3385 N N3 . DT A 1 18 B 2.075 -0.618 -0.374 1.00 0.00 ? 9 DT A N3 6 +ATOM 3386 C C4 . DT A 1 18 B 0.726 -0.690 -0.158 1.00 0.00 ? 9 DT A C4 6 +ATOM 3387 O O4 . DT A 1 18 B 0.301 -1.658 0.460 1.00 0.00 ? 9 DT A O4 6 +ATOM 3388 C C5 . DT A 1 18 B -0.056 0.402 -0.743 1.00 0.00 ? 9 DT A C5 6 +ATOM 3389 C C7 . DT A 1 18 B -1.585 0.396 -0.695 1.00 0.00 ? 9 DT A C7 6 +ATOM 3390 C C6 . DT A 1 18 B 0.580 1.431 -1.369 1.00 0.00 ? 9 DT A C6 6 +ATOM 3391 H "H5'" . DT A 1 18 B 1.939 6.429 -1.257 1.00 0.00 ? 9 DT A "H5'" 6 +ATOM 3392 H "H5''" . DT A 1 18 B 2.281 6.880 -2.941 1.00 0.00 ? 9 DT A "H5''" 6 +ATOM 3393 H "H4'" . DT A 1 18 B 3.700 5.027 -2.335 1.00 0.00 ? 9 DT A "H4'" 6 +ATOM 3394 H "H3'" . DT A 1 18 B 1.515 4.473 -4.360 1.00 0.00 ? 9 DT A "H3'" 6 +ATOM 3395 H "H2'" . DT A 1 18 B 1.435 2.294 -3.823 1.00 0.00 ? 9 DT A "H2'" 6 +ATOM 3396 H "H2''" . DT A 1 18 B 3.161 2.099 -4.136 1.00 0.00 ? 9 DT A "H2''" 6 +ATOM 3397 H "H1'" . DT A 1 18 B 3.810 2.572 -1.933 1.00 0.00 ? 9 DT A "H1'" 6 +ATOM 3398 H H3 . DT A 1 18 B 2.643 -1.397 -0.071 1.00 0.00 ? 9 DT A H3 6 +ATOM 3399 H H71 . DT A 1 18 B -1.981 0.038 -1.646 1.00 0.00 ? 9 DT A H71 6 +ATOM 3400 H H72 . DT A 1 18 B -1.947 -0.260 0.100 1.00 0.00 ? 9 DT A H72 6 +ATOM 3401 H H73 . DT A 1 18 B -1.976 1.398 -0.508 1.00 0.00 ? 9 DT A H73 6 +ATOM 3402 H H6 . DT A 1 18 B -0.042 2.205 -1.818 1.00 0.00 ? 9 DT A H6 6 +# diff --git a/lib/io/data/1ii1.cif b/lib/io/data/1ii1.cif new file mode 100644 index 000000000..3569ae144 --- /dev/null +++ b/lib/io/data/1ii1.cif @@ -0,0 +1,7096 @@ +data_1II1 +# +_entry.id 1II1 +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.392 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 1II1 pdb_00001ii1 10.2210/pdb1ii1/pdb +RCSB RCSB013285 ? ? +WWPDB D_1000013285 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2002-05-08 +2 'Structure model' 1 1 2008-04-27 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2022-02-23 +5 'Structure model' 1 4 2024-05-22 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Data collection' +4 4 'Structure model' 'Database references' +5 4 'Structure model' 'Derived calculations' +6 5 'Structure model' 'Data collection' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 4 'Structure model' database_2 +2 4 'Structure model' pdbx_nmr_software +3 4 'Structure model' pdbx_struct_assembly +4 4 'Structure model' pdbx_struct_oper_list +5 5 'Structure model' chem_comp_atom +6 5 'Structure model' chem_comp_bond +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 4 'Structure model' '_database_2.pdbx_DOI' +2 4 'Structure model' '_database_2.pdbx_database_accession' +3 4 'Structure model' '_pdbx_nmr_software.name' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 1II1 +_pdbx_database_status.recvd_initial_deposition_date 2001-04-20 +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.SG_entry . +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.status_code_sf ? +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.status_code_nmr_data ? +_pdbx_database_status.methods_development_category ? +# +loop_ +_pdbx_database_related.db_name +_pdbx_database_related.db_id +_pdbx_database_related.details +_pdbx_database_related.content_type +PDB 1QE7 'Solution structure of a uracil containing hairpin DNA' unspecified +PDB 1DGO 'Structural basis for uracil DNA Glycosylase interaction with Uracil: NMR study' unspecified +PDB 1IDX 'Structural basis for poor uracil excision from hairpin DNA: NMR study' unspecified +BMRB 4536 'Structural basis for uracil DNA Glycosylase interaction with Uracil: NMR study' unspecified +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Ghosh, M.' 1 +'Rumpal, N.' 2 +'Varshney, U.' 3 +'Chary, K.V.' 4 +# +_citation.id primary +_citation.title 'Structural basis for poor uracil excision from hairpin DNA. An NMR study.' +_citation.journal_abbrev Eur.J.Biochem. +_citation.journal_volume 269 +_citation.page_first 1886 +_citation.page_last 1894 +_citation.year 2002 +_citation.journal_id_ASTM EJBCAI +_citation.country IX +_citation.journal_id_ISSN 0014-2956 +_citation.journal_id_CSD 0262 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed 11952790 +_citation.pdbx_database_id_DOI 10.1046/j.1432-1033.2002.02837.x +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Ghosh, M.' 1 ? +primary 'Rumpal, N.' 2 ? +primary 'Varshney, U.' 3 ? +primary 'Chary, K.V.' 4 ? +# +_entity.id 1 +_entity.type polymer +_entity.src_method syn +_entity.pdbx_description "5'-D(*AP*GP*GP*AP*TP*CP*CP*UP*TP*TP*TP*GP*GP*AP*TP*CP*CP*T)-3'" +_entity.formula_weight 5483.537 +_entity.pdbx_number_of_molecules 1 +_entity.pdbx_ec ? +_entity.pdbx_mutation ? +_entity.pdbx_fragment ? +_entity.details 'Uracil containing hairpin DNA' +# +_entity_poly.entity_id 1 +_entity_poly.type polydeoxyribonucleotide +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code '(DA)(DG)(DG)(DA)(DT)(DC)(DC)(DU)(DT)(DT)(DT)(DG)(DG)(DA)(DT)(DC)(DC)(DT)' +_entity_poly.pdbx_seq_one_letter_code_can AGGATCCUTTTGGATCCT +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 DA n +1 2 DG n +1 3 DG n +1 4 DA n +1 5 DT n +1 6 DC n +1 7 DC n +1 8 DU n +1 9 DT n +1 10 DT n +1 11 DT n +1 12 DG n +1 13 DG n +1 14 DA n +1 15 DT n +1 16 DC n +1 17 DC n +1 18 DT n +# +_pdbx_entity_src_syn.entity_id 1 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num ? +_pdbx_entity_src_syn.pdbx_end_seq_num ? +_pdbx_entity_src_syn.organism_scientific ? +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id ? +_pdbx_entity_src_syn.details 'Custom made Ransom Hill Biosciences, Inc., Ramona CA (USA)' +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +DA 'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.222 +DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.197 +DG 'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221 +DT 'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE" ? 'C10 H15 N2 O8 P' 322.208 +DU 'DNA linking' y "2'-DEOXYURIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O8 P' 308.182 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 DA 1 1 1 DA A A . n +A 1 2 DG 2 2 2 DG G A . n +A 1 3 DG 3 3 3 DG G A . n +A 1 4 DA 4 4 4 DA A A . n +A 1 5 DT 5 5 5 DT T A . n +A 1 6 DC 6 6 6 DC C A . n +A 1 7 DC 7 7 7 DC C A . n +A 1 8 DU 8 8 8 DU U A . n +A 1 9 DT 9 9 9 DT T A . n +A 1 10 DT 10 1 1 DT T A B n +A 1 11 DT 11 2 2 DT T A B n +A 1 12 DG 12 3 3 DG G A B n +A 1 13 DG 13 4 4 DG G A B n +A 1 14 DA 14 5 5 DA A A B n +A 1 15 DT 15 6 6 DT T A B n +A 1 16 DC 16 7 7 DC C A B n +A 1 17 DC 17 8 8 DC C A B n +A 1 18 DT 18 9 9 DT T A B n +# +_exptl.entry_id 1II1 +_exptl.method 'SOLUTION NMR' +_exptl.crystals_number ? +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews ? +_exptl_crystal.density_percent_sol ? +_exptl_crystal.description ? +# +_diffrn.id 1 +_diffrn.ambient_temp ? +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator ? +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type ? +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength . +_diffrn_radiation_wavelength.wt 1.0 +# +_database_PDB_matrix.entry_id 1II1 +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_struct.entry_id 1II1 +_struct.title 'Structural Basis for Poor Uracil Excision from Hairpin DNA: NMR Study' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1II1 +_struct_keywords.pdbx_keywords DNA +_struct_keywords.text 'Uracil, Hairpin DNA, Hairpin loop, Double helix, UDG-Uracil interaction, DNA' +# +_struct_asym.id A +_struct_asym.pdbx_blank_PDB_chainid_flag N +_struct_asym.pdbx_modified N +_struct_asym.entity_id 1 +_struct_asym.details ? +# +_struct_ref.id 1 +_struct_ref.entity_id 1 +_struct_ref.db_name PDB +_struct_ref.db_code 1II1 +_struct_ref.pdbx_db_accession 1II1 +_struct_ref.pdbx_db_isoform ? +_struct_ref.pdbx_seq_one_letter_code ? +_struct_ref.pdbx_align_begin ? +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1II1 +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 18 +_struct_ref_seq.pdbx_seq_align_end_ins_code B +_struct_ref_seq.pdbx_db_accession 1II1 +_struct_ref_seq.db_align_beg 1 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 9 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 9 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details monomeric +_pdbx_struct_assembly.oligomeric_count 1 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +_struct_biol.id 1 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +_struct_conn.pdbx_role +hydrog1 hydrog ? ? A DA 1 N1 ? ? ? 1_555 A DT 18 N3 ? B A DA 1 A DT 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog2 hydrog ? ? A DA 1 N6 ? ? ? 1_555 A DT 18 O4 ? B A DA 1 A DT 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog3 hydrog ? ? A DG 2 N1 ? ? ? 1_555 A DC 17 N3 ? B A DG 2 A DC 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog4 hydrog ? ? A DG 2 N2 ? ? ? 1_555 A DC 17 O2 ? B A DG 2 A DC 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog5 hydrog ? ? A DG 2 O6 ? ? ? 1_555 A DC 17 N4 ? B A DG 2 A DC 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog6 hydrog ? ? A DG 3 N1 ? ? ? 1_555 A DC 16 N3 ? B A DG 3 A DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog7 hydrog ? ? A DG 3 N2 ? ? ? 1_555 A DC 16 O2 ? B A DG 3 A DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog8 hydrog ? ? A DG 3 O6 ? ? ? 1_555 A DC 16 N4 ? B A DG 3 A DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog9 hydrog ? ? A DA 4 N1 ? ? ? 1_555 A DT 15 N3 ? B A DA 4 A DT 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog10 hydrog ? ? A DA 4 N6 ? ? ? 1_555 A DT 15 O4 ? B A DA 4 A DT 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog11 hydrog ? ? A DT 5 N3 ? ? ? 1_555 A DA 14 N1 ? B A DT 5 A DA 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog12 hydrog ? ? A DT 5 O4 ? ? ? 1_555 A DA 14 N6 ? B A DT 5 A DA 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog13 hydrog ? ? A DC 6 N3 ? ? ? 1_555 A DG 13 N1 ? B A DC 6 A DG 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog14 hydrog ? ? A DC 6 N4 ? ? ? 1_555 A DG 13 O6 ? B A DC 6 A DG 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog15 hydrog ? ? A DC 6 O2 ? ? ? 1_555 A DG 13 N2 ? B A DC 6 A DG 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog16 hydrog ? ? A DC 7 N3 ? ? ? 1_555 A DG 12 N1 ? B A DC 7 A DG 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog17 hydrog ? ? A DC 7 N4 ? ? ? 1_555 A DG 12 O6 ? B A DC 7 A DG 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog18 hydrog ? ? A DC 7 O2 ? ? ? 1_555 A DG 12 N2 ? B A DC 7 A DG 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog19 hydrog ? ? A DU 8 N3 ? ? ? 1_555 A DT 10 O4 ? B A DU 8 A DT 1 1_555 ? ? ? ? ? ? 'DU-DT MISPAIR' ? ? ? +# +_struct_conn_type.id hydrog +_struct_conn_type.criteria ? +_struct_conn_type.reference ? +# +_pdbx_validate_rmsd_bond.id 1 +_pdbx_validate_rmsd_bond.PDB_model_num 2 +_pdbx_validate_rmsd_bond.auth_atom_id_1 C5 +_pdbx_validate_rmsd_bond.auth_asym_id_1 A +_pdbx_validate_rmsd_bond.auth_comp_id_1 DT +_pdbx_validate_rmsd_bond.auth_seq_id_1 9 +_pdbx_validate_rmsd_bond.PDB_ins_code_1 ? +_pdbx_validate_rmsd_bond.label_alt_id_1 ? +_pdbx_validate_rmsd_bond.auth_atom_id_2 C7 +_pdbx_validate_rmsd_bond.auth_asym_id_2 A +_pdbx_validate_rmsd_bond.auth_comp_id_2 DT +_pdbx_validate_rmsd_bond.auth_seq_id_2 9 +_pdbx_validate_rmsd_bond.PDB_ins_code_2 ? +_pdbx_validate_rmsd_bond.label_alt_id_2 ? +_pdbx_validate_rmsd_bond.bond_value 1.532 +_pdbx_validate_rmsd_bond.bond_target_value 1.496 +_pdbx_validate_rmsd_bond.bond_deviation 0.036 +_pdbx_validate_rmsd_bond.bond_standard_deviation 0.006 +_pdbx_validate_rmsd_bond.linker_flag N +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? "C2'" A DA 1 ? ? 100.44 105.90 -5.46 0.80 N +2 1 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 112.15 108.30 3.85 0.30 N +3 1 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.33 117.00 -3.67 0.50 N +4 1 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.10 117.70 3.40 0.50 N +5 1 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 113.00 118.60 -5.60 0.60 N +6 1 C5 A DG 2 ? ? C6 A DG 2 ? ? N1 A DG 2 ? ? 114.60 111.50 3.10 0.50 N +7 1 "O4'" A DG 3 ? ? "C1'" A DG 3 ? ? "C2'" A DG 3 ? ? 100.20 105.90 -5.70 0.80 N +8 1 C4 A DA 4 ? ? C5 A DA 4 ? ? C6 A DA 4 ? ? 113.97 117.00 -3.03 0.50 N +9 1 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 120.85 117.70 3.15 0.50 N +10 1 N1 A DA 4 ? ? C6 A DA 4 ? ? N6 A DA 4 ? ? 114.61 118.60 -3.99 0.60 N +11 1 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? N1 A DT 5 ? ? 110.48 108.30 2.18 0.30 N +12 1 N3 A DT 5 ? ? C2 A DT 5 ? ? O2 A DT 5 ? ? 118.40 122.30 -3.90 0.60 N +13 1 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 118.93 122.90 -3.97 0.60 N +14 1 "O4'" A DC 6 ? ? "C1'" A DC 6 ? ? N1 A DC 6 ? ? 121.33 108.30 13.03 0.30 N +15 1 C6 A DC 6 ? ? N1 A DC 6 ? ? C2 A DC 6 ? ? 117.87 120.30 -2.43 0.40 N +16 1 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 113.26 108.30 4.96 0.30 N +17 1 "O4'" A DU 8 ? ? "C1'" A DU 8 ? ? N1 A DU 8 ? ? 111.14 108.30 2.84 0.30 N +18 1 C5 A DU 8 ? ? C6 A DU 8 ? ? N1 A DU 8 ? ? 119.61 122.70 -3.09 0.50 N +19 1 "O4'" A DT 9 ? ? "C1'" A DT 9 ? ? N1 A DT 9 ? ? 111.80 108.30 3.50 0.30 N +20 1 N3 A DT 9 ? ? C2 A DT 9 ? ? O2 A DT 9 ? ? 117.69 122.30 -4.61 0.60 N +21 1 C6 A DT 1 B ? C5 A DT 1 B ? C7 A DT 1 B ? 118.60 122.90 -4.30 0.60 N +22 1 "O4'" A DT 2 B ? "C1'" A DT 2 B ? N1 A DT 2 B ? 110.32 108.30 2.02 0.30 N +23 1 C6 A DT 2 B ? C5 A DT 2 B ? C7 A DT 2 B ? 118.16 122.90 -4.74 0.60 N +24 1 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 114.23 108.30 5.93 0.30 N +25 1 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 110.45 108.30 2.15 0.30 N +26 1 C5 A DG 4 B ? C6 A DG 4 B ? N1 A DG 4 B ? 114.55 111.50 3.05 0.50 N +27 1 C4 A DA 5 B ? C5 A DA 5 B ? C6 A DA 5 B ? 113.91 117.00 -3.09 0.50 N +28 1 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.05 117.70 3.35 0.50 N +29 1 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.21 118.60 -4.39 0.60 N +30 1 "O4'" A DT 6 B ? "C1'" A DT 6 B ? N1 A DT 6 B ? 113.58 108.30 5.28 0.30 N +31 1 C6 A DT 6 B ? C5 A DT 6 B ? C7 A DT 6 B ? 119.25 122.90 -3.65 0.60 N +32 1 "O4'" A DC 7 B ? "C1'" A DC 7 B ? N1 A DC 7 B ? 118.66 108.30 10.36 0.30 N +33 1 "O4'" A DC 8 B ? "C1'" A DC 8 B ? N1 A DC 8 B ? 110.45 108.30 2.15 0.30 N +34 1 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.59 122.30 -3.71 0.60 N +35 1 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.87 122.90 -4.03 0.60 N +36 2 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? "C2'" A DA 1 ? ? 100.51 105.90 -5.39 0.80 N +37 2 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 113.09 108.30 4.79 0.30 N +38 2 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.46 117.00 -3.54 0.50 N +39 2 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.08 117.70 3.38 0.50 N +40 2 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 113.21 118.60 -5.39 0.60 N +41 2 C5 A DG 2 ? ? C6 A DG 2 ? ? N1 A DG 2 ? ? 114.60 111.50 3.10 0.50 N +42 2 C4 A DA 4 ? ? C5 A DA 4 ? ? C6 A DA 4 ? ? 113.68 117.00 -3.32 0.50 N +43 2 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 120.80 117.70 3.10 0.50 N +44 2 N1 A DA 4 ? ? C6 A DA 4 ? ? N6 A DA 4 ? ? 114.02 118.60 -4.58 0.60 N +45 2 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? N1 A DT 5 ? ? 110.24 108.30 1.94 0.30 N +46 2 N3 A DT 5 ? ? C2 A DT 5 ? ? O2 A DT 5 ? ? 118.42 122.30 -3.88 0.60 N +47 2 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 118.97 122.90 -3.93 0.60 N +48 2 "O4'" A DC 6 ? ? "C1'" A DC 6 ? ? N1 A DC 6 ? ? 121.16 108.30 12.86 0.30 N +49 2 C6 A DC 6 ? ? N1 A DC 6 ? ? C2 A DC 6 ? ? 117.86 120.30 -2.44 0.40 N +50 2 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 113.33 108.30 5.03 0.30 N +51 2 "O4'" A DU 8 ? ? "C1'" A DU 8 ? ? N1 A DU 8 ? ? 111.04 108.30 2.74 0.30 N +52 2 C5 A DU 8 ? ? C6 A DU 8 ? ? N1 A DU 8 ? ? 119.61 122.70 -3.09 0.50 N +53 2 "O4'" A DT 9 ? ? "C1'" A DT 9 ? ? N1 A DT 9 ? ? 111.83 108.30 3.53 0.30 N +54 2 N3 A DT 9 ? ? C2 A DT 9 ? ? O2 A DT 9 ? ? 117.61 122.30 -4.69 0.60 N +55 2 C6 A DT 1 B ? C5 A DT 1 B ? C7 A DT 1 B ? 118.16 122.90 -4.74 0.60 N +56 2 "O4'" A DT 2 B ? "C1'" A DT 2 B ? N1 A DT 2 B ? 110.94 108.30 2.64 0.30 N +57 2 C6 A DT 2 B ? C5 A DT 2 B ? C7 A DT 2 B ? 118.52 122.90 -4.38 0.60 N +58 2 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 113.49 108.30 5.19 0.30 N +59 2 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 110.37 108.30 2.07 0.30 N +60 2 C5 A DG 4 B ? C6 A DG 4 B ? N1 A DG 4 B ? 114.56 111.50 3.06 0.50 N +61 2 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.20 117.70 3.50 0.50 N +62 2 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.43 118.60 -4.17 0.60 N +63 2 "O4'" A DT 6 B ? "C1'" A DT 6 B ? N1 A DT 6 B ? 113.34 108.30 5.04 0.30 N +64 2 "O4'" A DC 7 B ? "C1'" A DC 7 B ? N1 A DC 7 B ? 118.92 108.30 10.62 0.30 N +65 2 "O4'" A DC 8 B ? "C1'" A DC 8 B ? N1 A DC 8 B ? 110.26 108.30 1.96 0.30 N +66 2 N3 A DC 8 B ? C2 A DC 8 B ? O2 A DC 8 B ? 117.65 121.90 -4.25 0.70 N +67 2 "O4'" A DT 9 B ? "C1'" A DT 9 B ? N1 A DT 9 B ? 110.23 108.30 1.93 0.30 N +68 2 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.58 122.30 -3.72 0.60 N +69 2 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.88 122.90 -4.02 0.60 N +70 3 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? "C2'" A DA 1 ? ? 100.59 105.90 -5.31 0.80 N +71 3 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 111.07 108.30 2.77 0.30 N +72 3 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.93 117.00 -3.07 0.50 N +73 3 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.29 117.70 3.59 0.50 N +74 3 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 114.27 118.60 -4.33 0.60 N +75 3 "O4'" A DG 3 ? ? "C1'" A DG 3 ? ? "C2'" A DG 3 ? ? 100.73 105.90 -5.17 0.80 N +76 3 C4 A DA 4 ? ? C5 A DA 4 ? ? C6 A DA 4 ? ? 113.99 117.00 -3.01 0.50 N +77 3 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 120.89 117.70 3.19 0.50 N +78 3 N1 A DA 4 ? ? C6 A DA 4 ? ? N6 A DA 4 ? ? 114.59 118.60 -4.01 0.60 N +79 3 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? N1 A DT 5 ? ? 110.42 108.30 2.12 0.30 N +80 3 N3 A DT 5 ? ? C2 A DT 5 ? ? O2 A DT 5 ? ? 118.43 122.30 -3.87 0.60 N +81 3 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 118.95 122.90 -3.95 0.60 N +82 3 "O4'" A DC 6 ? ? "C1'" A DC 6 ? ? N1 A DC 6 ? ? 121.35 108.30 13.05 0.30 N +83 3 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 113.37 108.30 5.07 0.30 N +84 3 "O4'" A DU 8 ? ? "C1'" A DU 8 ? ? N1 A DU 8 ? ? 111.36 108.30 3.06 0.30 N +85 3 "O4'" A DT 9 ? ? "C1'" A DT 9 ? ? N1 A DT 9 ? ? 111.31 108.30 3.01 0.30 N +86 3 N3 A DT 9 ? ? C2 A DT 9 ? ? O2 A DT 9 ? ? 117.67 122.30 -4.63 0.60 N +87 3 N3 A DT 1 B ? C2 A DT 1 B ? O2 A DT 1 B ? 118.59 122.30 -3.71 0.60 N +88 3 C6 A DT 1 B ? C5 A DT 1 B ? C7 A DT 1 B ? 118.95 122.90 -3.95 0.60 N +89 3 "O4'" A DT 2 B ? "C1'" A DT 2 B ? N1 A DT 2 B ? 110.70 108.30 2.40 0.30 N +90 3 C6 A DT 2 B ? C5 A DT 2 B ? C7 A DT 2 B ? 118.23 122.90 -4.67 0.60 N +91 3 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 115.00 108.30 6.70 0.30 N +92 3 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 110.10 108.30 1.80 0.30 N +93 3 C5 A DG 4 B ? C6 A DG 4 B ? N1 A DG 4 B ? 114.55 111.50 3.05 0.50 N +94 3 C4 A DA 5 B ? C5 A DA 5 B ? C6 A DA 5 B ? 113.94 117.00 -3.06 0.50 N +95 3 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.11 117.70 3.41 0.50 N +96 3 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.38 118.60 -4.22 0.60 N +97 3 "O4'" A DT 6 B ? "C1'" A DT 6 B ? N1 A DT 6 B ? 113.22 108.30 4.92 0.30 N +98 3 "O4'" A DC 7 B ? "C1'" A DC 7 B ? N1 A DC 7 B ? 118.45 108.30 10.15 0.30 N +99 3 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.51 122.30 -3.79 0.60 N +100 3 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.84 122.90 -4.06 0.60 N +101 4 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? "C2'" A DA 1 ? ? 100.58 105.90 -5.32 0.80 N +102 4 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 112.23 108.30 3.93 0.30 N +103 4 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.94 117.00 -3.06 0.50 N +104 4 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.27 117.70 3.57 0.50 N +105 4 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 114.39 118.60 -4.21 0.60 N +106 4 "O4'" A DG 3 ? ? "C1'" A DG 3 ? ? "C2'" A DG 3 ? ? 100.93 105.90 -4.97 0.80 N +107 4 C4 A DA 4 ? ? C5 A DA 4 ? ? C6 A DA 4 ? ? 113.95 117.00 -3.05 0.50 N +108 4 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 120.90 117.70 3.20 0.50 N +109 4 N1 A DA 4 ? ? C6 A DA 4 ? ? N6 A DA 4 ? ? 114.56 118.60 -4.04 0.60 N +110 4 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? N1 A DT 5 ? ? 110.44 108.30 2.14 0.30 N +111 4 N3 A DT 5 ? ? C2 A DT 5 ? ? O2 A DT 5 ? ? 118.41 122.30 -3.89 0.60 N +112 4 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 118.95 122.90 -3.95 0.60 N +113 4 "O4'" A DC 6 ? ? "C1'" A DC 6 ? ? N1 A DC 6 ? ? 121.34 108.30 13.04 0.30 N +114 4 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 113.38 108.30 5.08 0.30 N +115 4 "O4'" A DU 8 ? ? "C1'" A DU 8 ? ? N1 A DU 8 ? ? 111.39 108.30 3.09 0.30 N +116 4 "O4'" A DT 9 ? ? "C1'" A DT 9 ? ? N1 A DT 9 ? ? 111.48 108.30 3.18 0.30 N +117 4 N3 A DT 9 ? ? C2 A DT 9 ? ? O2 A DT 9 ? ? 117.49 122.30 -4.81 0.60 N +118 4 N3 A DT 1 B ? C2 A DT 1 B ? O2 A DT 1 B ? 118.62 122.30 -3.68 0.60 N +119 4 C6 A DT 1 B ? C5 A DT 1 B ? C7 A DT 1 B ? 118.77 122.90 -4.13 0.60 N +120 4 "O4'" A DT 2 B ? "C1'" A DT 2 B ? N1 A DT 2 B ? 110.75 108.30 2.45 0.30 N +121 4 C6 A DT 2 B ? C5 A DT 2 B ? C7 A DT 2 B ? 118.40 122.90 -4.50 0.60 N +122 4 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 114.97 108.30 6.67 0.30 N +123 4 C4 A DA 5 B ? C5 A DA 5 B ? C6 A DA 5 B ? 113.95 117.00 -3.05 0.50 N +124 4 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.06 117.70 3.36 0.50 N +125 4 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.42 118.60 -4.18 0.60 N +126 4 "O4'" A DT 6 B ? "C1'" A DT 6 B ? N1 A DT 6 B ? 113.11 108.30 4.81 0.30 N +127 4 "O4'" A DC 7 B ? "C1'" A DC 7 B ? N1 A DC 7 B ? 118.47 108.30 10.17 0.30 N +128 4 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.50 122.30 -3.80 0.60 N +129 4 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.80 122.90 -4.10 0.60 N +130 5 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 111.02 108.30 2.72 0.30 N +131 5 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.71 117.00 -3.29 0.50 N +132 5 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.26 117.70 3.56 0.50 N +133 5 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 114.18 118.60 -4.42 0.60 N +134 5 C5 A DG 2 ? ? C6 A DG 2 ? ? N1 A DG 2 ? ? 114.57 111.50 3.07 0.50 N +135 5 "O4'" A DG 3 ? ? "C1'" A DG 3 ? ? "C2'" A DG 3 ? ? 100.76 105.90 -5.14 0.80 N +136 5 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.02 117.70 3.32 0.50 N +137 5 N1 A DA 4 ? ? C6 A DA 4 ? ? N6 A DA 4 ? ? 114.87 118.60 -3.73 0.60 N +138 5 N3 A DT 5 ? ? C2 A DT 5 ? ? O2 A DT 5 ? ? 118.52 122.30 -3.78 0.60 N +139 5 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 118.99 122.90 -3.91 0.60 N +140 5 "O4'" A DC 6 ? ? "C1'" A DC 6 ? ? N1 A DC 6 ? ? 121.26 108.30 12.96 0.30 N +141 5 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 113.33 108.30 5.03 0.30 N +142 5 "O4'" A DU 8 ? ? "C1'" A DU 8 ? ? N1 A DU 8 ? ? 111.38 108.30 3.08 0.30 N +143 5 C5 A DU 8 ? ? C6 A DU 8 ? ? N1 A DU 8 ? ? 119.60 122.70 -3.10 0.50 N +144 5 "O4'" A DT 9 ? ? "C1'" A DT 9 ? ? N1 A DT 9 ? ? 111.35 108.30 3.05 0.30 N +145 5 N3 A DT 9 ? ? C2 A DT 9 ? ? O2 A DT 9 ? ? 117.70 122.30 -4.60 0.60 N +146 5 N3 A DT 1 B ? C2 A DT 1 B ? O2 A DT 1 B ? 118.59 122.30 -3.71 0.60 N +147 5 C6 A DT 1 B ? C5 A DT 1 B ? C7 A DT 1 B ? 118.70 122.90 -4.20 0.60 N +148 5 "O4'" A DT 2 B ? "C1'" A DT 2 B ? N1 A DT 2 B ? 110.65 108.30 2.35 0.30 N +149 5 C6 A DT 2 B ? C5 A DT 2 B ? C7 A DT 2 B ? 118.27 122.90 -4.63 0.60 N +150 5 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 114.14 108.30 5.84 0.30 N +151 5 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 110.52 108.30 2.22 0.30 N +152 5 C5 A DG 4 B ? C6 A DG 4 B ? N1 A DG 4 B ? 114.53 111.50 3.03 0.50 N +153 5 C4 A DA 5 B ? C5 A DA 5 B ? C6 A DA 5 B ? 113.94 117.00 -3.06 0.50 N +154 5 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 120.97 117.70 3.27 0.50 N +155 5 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.20 118.60 -4.40 0.60 N +156 5 "O4'" A DT 6 B ? "C1'" A DT 6 B ? N1 A DT 6 B ? 112.12 108.30 3.82 0.30 N +157 5 C6 A DT 6 B ? C5 A DT 6 B ? C7 A DT 6 B ? 119.30 122.90 -3.60 0.60 N +158 5 "O4'" A DC 7 B ? "C1'" A DC 7 B ? N1 A DC 7 B ? 117.89 108.30 9.59 0.30 N +159 5 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.61 122.30 -3.69 0.60 N +160 5 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.89 122.90 -4.01 0.60 N +161 6 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? "C2'" A DA 1 ? ? 100.77 105.90 -5.13 0.80 N +162 6 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.93 117.00 -3.07 0.50 N +163 6 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.55 117.70 3.85 0.50 N +164 6 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 114.39 118.60 -4.21 0.60 N +165 6 "O4'" A DG 3 ? ? "C1'" A DG 3 ? ? N9 A DG 3 ? ? 111.88 108.30 3.58 0.30 N +166 6 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.09 117.70 3.39 0.50 N +167 6 N1 A DA 4 ? ? C6 A DA 4 ? ? N6 A DA 4 ? ? 114.92 118.60 -3.68 0.60 N +168 6 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? N1 A DT 5 ? ? 110.10 108.30 1.80 0.30 N +169 6 N3 A DT 5 ? ? C2 A DT 5 ? ? O2 A DT 5 ? ? 118.49 122.30 -3.81 0.60 N +170 6 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 118.92 122.90 -3.98 0.60 N +171 6 "O4'" A DC 6 ? ? "C1'" A DC 6 ? ? N1 A DC 6 ? ? 121.25 108.30 12.95 0.30 N +172 6 C6 A DC 6 ? ? N1 A DC 6 ? ? C2 A DC 6 ? ? 117.84 120.30 -2.46 0.40 N +173 6 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 113.29 108.30 4.99 0.30 N +174 6 "O4'" A DU 8 ? ? "C1'" A DU 8 ? ? N1 A DU 8 ? ? 111.06 108.30 2.76 0.30 N +175 6 C5 A DU 8 ? ? C6 A DU 8 ? ? N1 A DU 8 ? ? 119.65 122.70 -3.05 0.50 N +176 6 "O4'" A DT 9 ? ? "C1'" A DT 9 ? ? N1 A DT 9 ? ? 112.02 108.30 3.72 0.30 N +177 6 N3 A DT 9 ? ? C2 A DT 9 ? ? O2 A DT 9 ? ? 117.49 122.30 -4.81 0.60 N +178 6 C6 A DT 9 ? ? C5 A DT 9 ? ? C7 A DT 9 ? ? 119.07 122.90 -3.83 0.60 N +179 6 C6 A DT 1 B ? C5 A DT 1 B ? C7 A DT 1 B ? 118.55 122.90 -4.35 0.60 N +180 6 "O4'" A DT 2 B ? "C1'" A DT 2 B ? N1 A DT 2 B ? 110.36 108.30 2.06 0.30 N +181 6 C6 A DT 2 B ? C5 A DT 2 B ? C7 A DT 2 B ? 118.48 122.90 -4.42 0.60 N +182 6 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 114.20 108.30 5.90 0.30 N +183 6 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 110.70 108.30 2.40 0.30 N +184 6 C5 A DG 4 B ? C6 A DG 4 B ? N1 A DG 4 B ? 114.52 111.50 3.02 0.50 N +185 6 C4 A DA 5 B ? C5 A DA 5 B ? C6 A DA 5 B ? 113.89 117.00 -3.11 0.50 N +186 6 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.00 117.70 3.30 0.50 N +187 6 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.06 118.60 -4.54 0.60 N +188 6 "O4'" A DT 6 B ? "C1'" A DT 6 B ? N1 A DT 6 B ? 112.03 108.30 3.73 0.30 N +189 6 C6 A DT 6 B ? C5 A DT 6 B ? C7 A DT 6 B ? 119.27 122.90 -3.63 0.60 N +190 6 "O4'" A DC 7 B ? "C1'" A DC 7 B ? N1 A DC 7 B ? 118.06 108.30 9.76 0.30 N +191 6 "O4'" A DC 8 B ? "C1'" A DC 8 B ? N1 A DC 8 B ? 112.17 108.30 3.87 0.30 N +192 6 N3 A DC 8 B ? C2 A DC 8 B ? O2 A DC 8 B ? 117.45 121.90 -4.45 0.70 N +193 6 "O4'" A DT 9 B ? "C1'" A DT 9 B ? N1 A DT 9 B ? 110.75 108.30 2.45 0.30 N +194 6 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.51 122.30 -3.79 0.60 N +195 6 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.74 122.90 -4.16 0.60 N +196 7 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 112.59 108.30 4.29 0.30 N +197 7 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.63 117.00 -3.37 0.50 N +198 7 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.16 117.70 3.46 0.50 N +199 7 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 114.15 118.60 -4.45 0.60 N +200 7 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.12 117.70 3.42 0.50 N +201 7 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? N1 A DT 5 ? ? 110.54 108.30 2.24 0.30 N +202 7 N3 A DT 5 ? ? C2 A DT 5 ? ? O2 A DT 5 ? ? 118.32 122.30 -3.98 0.60 N +203 7 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 118.88 122.90 -4.02 0.60 N +204 7 "O4'" A DC 6 ? ? "C1'" A DC 6 ? ? N1 A DC 6 ? ? 121.48 108.30 13.18 0.30 N +205 7 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 113.35 108.30 5.05 0.30 N +206 7 "O4'" A DU 8 ? ? "C1'" A DU 8 ? ? N1 A DU 8 ? ? 110.72 108.30 2.42 0.30 N +207 7 C5 A DU 8 ? ? C6 A DU 8 ? ? N1 A DU 8 ? ? 119.44 122.70 -3.26 0.50 N +208 7 "O4'" A DT 9 ? ? "C1'" A DT 9 ? ? N1 A DT 9 ? ? 112.82 108.30 4.52 0.30 N +209 7 N3 A DT 9 ? ? C2 A DT 9 ? ? O2 A DT 9 ? ? 117.29 122.30 -5.01 0.60 N +210 7 C6 A DT 9 ? ? C5 A DT 9 ? ? C7 A DT 9 ? ? 119.18 122.90 -3.72 0.60 N +211 7 C6 A DT 1 B ? C5 A DT 1 B ? C7 A DT 1 B ? 119.19 122.90 -3.71 0.60 N +212 7 "O4'" A DT 2 B ? "C1'" A DT 2 B ? N1 A DT 2 B ? 110.52 108.30 2.22 0.30 N +213 7 N3 A DT 2 B ? C2 A DT 2 B ? O2 A DT 2 B ? 118.15 122.30 -4.15 0.60 N +214 7 C6 A DT 2 B ? C5 A DT 2 B ? C7 A DT 2 B ? 118.58 122.90 -4.32 0.60 N +215 7 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 113.82 108.30 5.52 0.30 N +216 7 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 110.28 108.30 1.98 0.30 N +217 7 C5 A DG 4 B ? C6 A DG 4 B ? N1 A DG 4 B ? 114.59 111.50 3.09 0.50 N +218 7 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 120.89 117.70 3.19 0.50 N +219 7 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.32 118.60 -4.28 0.60 N +220 7 "O4'" A DT 6 B ? "C1'" A DT 6 B ? N1 A DT 6 B ? 111.78 108.30 3.48 0.30 N +221 7 "O4'" A DC 7 B ? "C1'" A DC 7 B ? N1 A DC 7 B ? 116.06 108.30 7.76 0.30 N +222 7 "O4'" A DC 8 B ? "C1'" A DC 8 B ? N1 A DC 8 B ? 110.58 108.30 2.28 0.30 N +223 7 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 117.71 122.90 -5.19 0.60 N +224 8 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? "C2'" A DA 1 ? ? 100.61 105.90 -5.29 0.80 N +225 8 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 110.75 108.30 2.45 0.30 N +226 8 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.94 117.00 -3.06 0.50 N +227 8 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.25 117.70 3.55 0.50 N +228 8 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 114.33 118.60 -4.27 0.60 N +229 8 C5 A DG 2 ? ? C6 A DG 2 ? ? N1 A DG 2 ? ? 114.55 111.50 3.05 0.50 N +230 8 "O4'" A DG 3 ? ? "C1'" A DG 3 ? ? "C2'" A DG 3 ? ? 101.01 105.90 -4.89 0.80 N +231 8 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.05 117.70 3.35 0.50 N +232 8 N1 A DA 4 ? ? C6 A DA 4 ? ? N6 A DA 4 ? ? 114.47 118.60 -4.13 0.60 N +233 8 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? N1 A DT 5 ? ? 110.16 108.30 1.86 0.30 N +234 8 N3 A DT 5 ? ? C2 A DT 5 ? ? O2 A DT 5 ? ? 118.35 122.30 -3.95 0.60 N +235 8 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 118.87 122.90 -4.03 0.60 N +236 8 "O4'" A DC 6 ? ? "C1'" A DC 6 ? ? N1 A DC 6 ? ? 121.33 108.30 13.03 0.30 N +237 8 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 113.27 108.30 4.97 0.30 N +238 8 "O4'" A DU 8 ? ? "C1'" A DU 8 ? ? N1 A DU 8 ? ? 110.95 108.30 2.65 0.30 N +239 8 C5 A DU 8 ? ? C6 A DU 8 ? ? N1 A DU 8 ? ? 119.58 122.70 -3.12 0.50 N +240 8 "O4'" A DT 9 ? ? "C1'" A DT 9 ? ? N1 A DT 9 ? ? 111.73 108.30 3.43 0.30 N +241 8 N3 A DT 9 ? ? C2 A DT 9 ? ? O2 A DT 9 ? ? 117.44 122.30 -4.86 0.60 N +242 8 C6 A DT 9 ? ? C5 A DT 9 ? ? C7 A DT 9 ? ? 119.03 122.90 -3.87 0.60 N +243 8 C6 A DT 1 B ? C5 A DT 1 B ? C7 A DT 1 B ? 118.26 122.90 -4.64 0.60 N +244 8 "O4'" A DT 2 B ? "C1'" A DT 2 B ? N1 A DT 2 B ? 110.80 108.30 2.50 0.30 N +245 8 C6 A DT 2 B ? C5 A DT 2 B ? C7 A DT 2 B ? 118.38 122.90 -4.52 0.60 N +246 8 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 114.14 108.30 5.84 0.30 N +247 8 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 110.13 108.30 1.83 0.30 N +248 8 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 120.98 117.70 3.28 0.50 N +249 8 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.17 118.60 -4.43 0.60 N +250 8 "O4'" A DT 6 B ? "C1'" A DT 6 B ? N1 A DT 6 B ? 112.04 108.30 3.74 0.30 N +251 8 C6 A DT 6 B ? C5 A DT 6 B ? C7 A DT 6 B ? 119.19 122.90 -3.71 0.60 N +252 8 "O4'" A DC 7 B ? "C1'" A DC 7 B ? N1 A DC 7 B ? 117.41 108.30 9.11 0.30 N +253 8 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.51 122.30 -3.79 0.60 N +254 8 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.88 122.90 -4.02 0.60 N +255 9 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? "C2'" A DA 1 ? ? 100.69 105.90 -5.21 0.80 N +256 9 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 110.70 108.30 2.40 0.30 N +257 9 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.87 117.00 -3.13 0.50 N +258 9 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.29 117.70 3.59 0.50 N +259 9 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 114.29 118.60 -4.31 0.60 N +260 9 "O4'" A DG 3 ? ? "C1'" A DG 3 ? ? "C2'" A DG 3 ? ? 101.09 105.90 -4.81 0.80 N +261 9 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.15 117.70 3.45 0.50 N +262 9 N1 A DA 4 ? ? C6 A DA 4 ? ? N6 A DA 4 ? ? 114.72 118.60 -3.88 0.60 N +263 9 N3 A DT 5 ? ? C2 A DT 5 ? ? O2 A DT 5 ? ? 118.53 122.30 -3.77 0.60 N +264 9 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 118.94 122.90 -3.96 0.60 N +265 9 "O4'" A DC 6 ? ? "C1'" A DC 6 ? ? N1 A DC 6 ? ? 121.28 108.30 12.98 0.30 N +266 9 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 113.17 108.30 4.87 0.30 N +267 9 "O4'" A DU 8 ? ? "C1'" A DU 8 ? ? N1 A DU 8 ? ? 111.06 108.30 2.76 0.30 N +268 9 C5 A DU 8 ? ? C6 A DU 8 ? ? N1 A DU 8 ? ? 119.57 122.70 -3.13 0.50 N +269 9 "O4'" A DT 9 ? ? "C1'" A DT 9 ? ? N1 A DT 9 ? ? 111.74 108.30 3.44 0.30 N +270 9 N3 A DT 9 ? ? C2 A DT 9 ? ? O2 A DT 9 ? ? 117.63 122.30 -4.67 0.60 N +271 9 C6 A DT 1 B ? C5 A DT 1 B ? C7 A DT 1 B ? 118.69 122.90 -4.21 0.60 N +272 9 "O4'" A DT 2 B ? "C1'" A DT 2 B ? N1 A DT 2 B ? 110.84 108.30 2.54 0.30 N +273 9 C6 A DT 2 B ? C5 A DT 2 B ? C7 A DT 2 B ? 118.29 122.90 -4.61 0.60 N +274 9 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 113.57 108.30 5.27 0.30 N +275 9 "O4'" A DA 5 B ? "C1'" A DA 5 B ? N9 A DA 5 B ? 110.51 108.30 2.21 0.30 N +276 9 C4 A DA 5 B ? C5 A DA 5 B ? C6 A DA 5 B ? 113.74 117.00 -3.26 0.50 N +277 9 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 120.94 117.70 3.24 0.50 N +278 9 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 113.83 118.60 -4.77 0.60 N +279 9 "O4'" A DT 6 B ? "C1'" A DT 6 B ? N1 A DT 6 B ? 112.13 108.30 3.83 0.30 N +280 9 C6 A DT 6 B ? C5 A DT 6 B ? C7 A DT 6 B ? 119.17 122.90 -3.73 0.60 N +281 9 "O4'" A DC 7 B ? "C1'" A DC 7 B ? N1 A DC 7 B ? 117.32 108.30 9.02 0.30 N +282 9 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.51 122.30 -3.79 0.60 N +283 9 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.89 122.90 -4.01 0.60 N +284 10 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? "C2'" A DA 1 ? ? 100.58 105.90 -5.32 0.80 N +285 10 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 112.23 108.30 3.93 0.30 N +286 10 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.94 117.00 -3.06 0.50 N +287 10 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.27 117.70 3.57 0.50 N +288 10 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 114.39 118.60 -4.21 0.60 N +289 10 "O4'" A DG 3 ? ? "C1'" A DG 3 ? ? "C2'" A DG 3 ? ? 100.93 105.90 -4.97 0.80 N +290 10 C4 A DA 4 ? ? C5 A DA 4 ? ? C6 A DA 4 ? ? 113.95 117.00 -3.05 0.50 N +291 10 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 120.90 117.70 3.20 0.50 N +292 10 N1 A DA 4 ? ? C6 A DA 4 ? ? N6 A DA 4 ? ? 114.56 118.60 -4.04 0.60 N +293 10 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? N1 A DT 5 ? ? 110.44 108.30 2.14 0.30 N +294 10 N3 A DT 5 ? ? C2 A DT 5 ? ? O2 A DT 5 ? ? 118.41 122.30 -3.89 0.60 N +295 10 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 118.95 122.90 -3.95 0.60 N +296 10 "O4'" A DC 6 ? ? "C1'" A DC 6 ? ? N1 A DC 6 ? ? 121.34 108.30 13.04 0.30 N +297 10 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 113.38 108.30 5.08 0.30 N +298 10 "O4'" A DU 8 ? ? "C1'" A DU 8 ? ? N1 A DU 8 ? ? 111.39 108.30 3.09 0.30 N +299 10 "O4'" A DT 9 ? ? "C1'" A DT 9 ? ? N1 A DT 9 ? ? 111.48 108.30 3.18 0.30 N +300 10 N3 A DT 9 ? ? C2 A DT 9 ? ? O2 A DT 9 ? ? 117.49 122.30 -4.81 0.60 N +301 10 N3 A DT 1 B ? C2 A DT 1 B ? O2 A DT 1 B ? 118.62 122.30 -3.68 0.60 N +302 10 C6 A DT 1 B ? C5 A DT 1 B ? C7 A DT 1 B ? 118.77 122.90 -4.13 0.60 N +303 10 "O4'" A DT 2 B ? "C1'" A DT 2 B ? N1 A DT 2 B ? 110.75 108.30 2.45 0.30 N +304 10 C6 A DT 2 B ? C5 A DT 2 B ? C7 A DT 2 B ? 118.40 122.90 -4.50 0.60 N +305 10 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 114.97 108.30 6.67 0.30 N +306 10 C4 A DA 5 B ? C5 A DA 5 B ? C6 A DA 5 B ? 113.95 117.00 -3.05 0.50 N +307 10 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.06 117.70 3.36 0.50 N +308 10 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.42 118.60 -4.18 0.60 N +309 10 "O4'" A DT 6 B ? "C1'" A DT 6 B ? N1 A DT 6 B ? 113.11 108.30 4.81 0.30 N +310 10 "O4'" A DC 7 B ? "C1'" A DC 7 B ? N1 A DC 7 B ? 118.47 108.30 10.17 0.30 N +311 10 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.50 122.30 -3.80 0.60 N +312 10 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.80 122.90 -4.10 0.60 N +# +loop_ +_pdbx_validate_planes.id +_pdbx_validate_planes.PDB_model_num +_pdbx_validate_planes.auth_comp_id +_pdbx_validate_planes.auth_asym_id +_pdbx_validate_planes.auth_seq_id +_pdbx_validate_planes.PDB_ins_code +_pdbx_validate_planes.label_alt_id +_pdbx_validate_planes.rmsd +_pdbx_validate_planes.type +1 1 DG A 2 ? ? 0.078 'SIDE CHAIN' +2 1 DC A 6 ? ? 0.194 'SIDE CHAIN' +3 1 DC A 7 ? ? 0.307 'SIDE CHAIN' +4 1 DT A 9 ? ? 0.148 'SIDE CHAIN' +5 1 DG A 3 B ? 0.075 'SIDE CHAIN' +6 2 DG A 2 ? ? 0.075 'SIDE CHAIN' +7 2 DG A 3 ? ? 0.071 'SIDE CHAIN' +8 2 DC A 6 ? ? 0.189 'SIDE CHAIN' +9 2 DC A 7 ? ? 0.304 'SIDE CHAIN' +10 2 DT A 9 ? ? 0.138 'SIDE CHAIN' +11 2 DG A 3 B ? 0.076 'SIDE CHAIN' +12 3 DC A 6 ? ? 0.199 'SIDE CHAIN' +13 3 DC A 7 ? ? 0.308 'SIDE CHAIN' +14 3 DT A 9 ? ? 0.146 'SIDE CHAIN' +15 3 DG A 3 B ? 0.077 'SIDE CHAIN' +16 3 DT A 9 B ? 0.089 'SIDE CHAIN' +17 4 DC A 6 ? ? 0.199 'SIDE CHAIN' +18 4 DC A 7 ? ? 0.309 'SIDE CHAIN' +19 4 DT A 9 ? ? 0.131 'SIDE CHAIN' +20 4 DG A 3 B ? 0.077 'SIDE CHAIN' +21 4 DT A 9 B ? 0.088 'SIDE CHAIN' +22 5 DC A 6 ? ? 0.190 'SIDE CHAIN' +23 5 DC A 7 ? ? 0.305 'SIDE CHAIN' +24 5 DT A 9 ? ? 0.145 'SIDE CHAIN' +25 5 DG A 3 B ? 0.080 'SIDE CHAIN' +26 5 DC A 8 B ? 0.083 'SIDE CHAIN' +27 5 DT A 9 B ? 0.076 'SIDE CHAIN' +28 6 DA A 1 ? ? 0.051 'SIDE CHAIN' +29 6 DC A 6 ? ? 0.187 'SIDE CHAIN' +30 6 DC A 7 ? ? 0.307 'SIDE CHAIN' +31 6 DT A 9 ? ? 0.129 'SIDE CHAIN' +32 6 DG A 3 B ? 0.077 'SIDE CHAIN' +33 6 DT A 9 B ? 0.076 'SIDE CHAIN' +34 7 DG A 2 ? ? 0.074 'SIDE CHAIN' +35 7 DG A 3 ? ? 0.061 'SIDE CHAIN' +36 7 DC A 6 ? ? 0.180 'SIDE CHAIN' +37 7 DC A 7 ? ? 0.309 'SIDE CHAIN' +38 7 DT A 9 ? ? 0.110 'SIDE CHAIN' +39 7 DG A 3 B ? 0.077 'SIDE CHAIN' +40 7 DC A 7 B ? 0.090 'SIDE CHAIN' +41 8 DC A 6 ? ? 0.189 'SIDE CHAIN' +42 8 DC A 7 ? ? 0.308 'SIDE CHAIN' +43 8 DT A 9 ? ? 0.123 'SIDE CHAIN' +44 8 DG A 3 B ? 0.071 'SIDE CHAIN' +45 8 DC A 7 B ? 0.084 'SIDE CHAIN' +46 8 DT A 9 B ? 0.091 'SIDE CHAIN' +47 9 DC A 6 ? ? 0.182 'SIDE CHAIN' +48 9 DC A 7 ? ? 0.308 'SIDE CHAIN' +49 9 DT A 9 ? ? 0.138 'SIDE CHAIN' +50 9 DG A 3 B ? 0.074 'SIDE CHAIN' +51 9 DC A 7 B ? 0.088 'SIDE CHAIN' +52 9 DT A 9 B ? 0.091 'SIDE CHAIN' +53 10 DC A 6 ? ? 0.199 'SIDE CHAIN' +54 10 DC A 7 ? ? 0.309 'SIDE CHAIN' +55 10 DT A 9 ? ? 0.131 'SIDE CHAIN' +56 10 DG A 3 B ? 0.077 'SIDE CHAIN' +57 10 DT A 9 B ? 0.088 'SIDE CHAIN' +# +_pdbx_nmr_ensemble.entry_id 1II1 +_pdbx_nmr_ensemble.conformers_calculated_total_number 200 +_pdbx_nmr_ensemble.conformers_submitted_total_number 10 +_pdbx_nmr_ensemble.conformer_selection_criteria +;structures with acceptable covalent geometry,structures with favorable non-bond energy,structures with the least restraint violations,structures with the lowest energy +; +_pdbx_nmr_ensemble.average_constraints_per_residue ? +_pdbx_nmr_ensemble.average_constraint_violations_per_residue ? +_pdbx_nmr_ensemble.maximum_distance_constraint_violation ? +_pdbx_nmr_ensemble.average_distance_constraint_violation ? +_pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation ? +_pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ? +_pdbx_nmr_ensemble.distance_constraint_violation_method ? +_pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation ? +_pdbx_nmr_ensemble.average_torsion_angle_constraint_violation ? +_pdbx_nmr_ensemble.torsion_angle_constraint_violation_method ? +# +_pdbx_nmr_representative.entry_id 1II1 +_pdbx_nmr_representative.conformer_id 1 +_pdbx_nmr_representative.selection_criteria 'fewest violations,lowest energy' +# +loop_ +_pdbx_nmr_sample_details.solution_id +_pdbx_nmr_sample_details.contents +_pdbx_nmr_sample_details.solvent_system +1 '2 mM oligo; no buffer; pH = 7.0; 305K; 99% D2O' '99% D2O' +2 '2 mM oligo; no buffer; pH = 7.0; 305K; 90% H2O + 10% D2O' '90% H2O/10% D2O' +# +loop_ +_pdbx_nmr_exptl_sample_conditions.conditions_id +_pdbx_nmr_exptl_sample_conditions.temperature +_pdbx_nmr_exptl_sample_conditions.pressure +_pdbx_nmr_exptl_sample_conditions.pH +_pdbx_nmr_exptl_sample_conditions.ionic_strength +_pdbx_nmr_exptl_sample_conditions.pressure_units +_pdbx_nmr_exptl_sample_conditions.temperature_units +1 305 1 7.0 ? atm K +2 295 1 7.0 ? atm K +# +loop_ +_pdbx_nmr_exptl.experiment_id +_pdbx_nmr_exptl.solution_id +_pdbx_nmr_exptl.conditions_id +_pdbx_nmr_exptl.type +1 1 1 '2D NOESY' +2 1 1 E-COSY +3 2 2 '2D NOESY' +# +_pdbx_nmr_details.entry_id 1II1 +_pdbx_nmr_details.text 'This structure was determined using 2D homonuclear techniques' +# +_pdbx_nmr_refine.entry_id 1II1 +_pdbx_nmr_refine.method 'restrained molecular dynamics and energy minimization' +_pdbx_nmr_refine.details +;The structures are based on total of 227 restraints, 143 are NOE-derived distance constraints, 64 dihedral angle restraints, 10 distance restraints from hydrogen bonds. +; +_pdbx_nmr_refine.software_ordinal 1 +# +loop_ +_pdbx_nmr_software.name +_pdbx_nmr_software.version +_pdbx_nmr_software.classification +_pdbx_nmr_software.authors +_pdbx_nmr_software.ordinal +VNMR 6.1 collection Varian 1 +Discover 97 'structure solution' MSI 2 +VNMR 6.1 'data analysis' Varian 3 +UXNMR 3.0 collection Bruker 4 +Felix 97 processing MSI 5 +Felix 97 'data analysis' MSI 6 +Discover 97 refinement MSI 7 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +DA OP3 O N N 1 +DA P P N N 2 +DA OP1 O N N 3 +DA OP2 O N N 4 +DA "O5'" O N N 5 +DA "C5'" C N N 6 +DA "C4'" C N R 7 +DA "O4'" O N N 8 +DA "C3'" C N S 9 +DA "O3'" O N N 10 +DA "C2'" C N N 11 +DA "C1'" C N R 12 +DA N9 N Y N 13 +DA C8 C Y N 14 +DA N7 N Y N 15 +DA C5 C Y N 16 +DA C6 C Y N 17 +DA N6 N N N 18 +DA N1 N Y N 19 +DA C2 C Y N 20 +DA N3 N Y N 21 +DA C4 C Y N 22 +DA HOP3 H N N 23 +DA HOP2 H N N 24 +DA "H5'" H N N 25 +DA "H5''" H N N 26 +DA "H4'" H N N 27 +DA "H3'" H N N 28 +DA "HO3'" H N N 29 +DA "H2'" H N N 30 +DA "H2''" H N N 31 +DA "H1'" H N N 32 +DA H8 H N N 33 +DA H61 H N N 34 +DA H62 H N N 35 +DA H2 H N N 36 +DC OP3 O N N 37 +DC P P N N 38 +DC OP1 O N N 39 +DC OP2 O N N 40 +DC "O5'" O N N 41 +DC "C5'" C N N 42 +DC "C4'" C N R 43 +DC "O4'" O N N 44 +DC "C3'" C N S 45 +DC "O3'" O N N 46 +DC "C2'" C N N 47 +DC "C1'" C N R 48 +DC N1 N N N 49 +DC C2 C N N 50 +DC O2 O N N 51 +DC N3 N N N 52 +DC C4 C N N 53 +DC N4 N N N 54 +DC C5 C N N 55 +DC C6 C N N 56 +DC HOP3 H N N 57 +DC HOP2 H N N 58 +DC "H5'" H N N 59 +DC "H5''" H N N 60 +DC "H4'" H N N 61 +DC "H3'" H N N 62 +DC "HO3'" H N N 63 +DC "H2'" H N N 64 +DC "H2''" H N N 65 +DC "H1'" H N N 66 +DC H41 H N N 67 +DC H42 H N N 68 +DC H5 H N N 69 +DC H6 H N N 70 +DG OP3 O N N 71 +DG P P N N 72 +DG OP1 O N N 73 +DG OP2 O N N 74 +DG "O5'" O N N 75 +DG "C5'" C N N 76 +DG "C4'" C N R 77 +DG "O4'" O N N 78 +DG "C3'" C N S 79 +DG "O3'" O N N 80 +DG "C2'" C N N 81 +DG "C1'" C N R 82 +DG N9 N Y N 83 +DG C8 C Y N 84 +DG N7 N Y N 85 +DG C5 C Y N 86 +DG C6 C N N 87 +DG O6 O N N 88 +DG N1 N N N 89 +DG C2 C N N 90 +DG N2 N N N 91 +DG N3 N N N 92 +DG C4 C Y N 93 +DG HOP3 H N N 94 +DG HOP2 H N N 95 +DG "H5'" H N N 96 +DG "H5''" H N N 97 +DG "H4'" H N N 98 +DG "H3'" H N N 99 +DG "HO3'" H N N 100 +DG "H2'" H N N 101 +DG "H2''" H N N 102 +DG "H1'" H N N 103 +DG H8 H N N 104 +DG H1 H N N 105 +DG H21 H N N 106 +DG H22 H N N 107 +DT OP3 O N N 108 +DT P P N N 109 +DT OP1 O N N 110 +DT OP2 O N N 111 +DT "O5'" O N N 112 +DT "C5'" C N N 113 +DT "C4'" C N R 114 +DT "O4'" O N N 115 +DT "C3'" C N S 116 +DT "O3'" O N N 117 +DT "C2'" C N N 118 +DT "C1'" C N R 119 +DT N1 N N N 120 +DT C2 C N N 121 +DT O2 O N N 122 +DT N3 N N N 123 +DT C4 C N N 124 +DT O4 O N N 125 +DT C5 C N N 126 +DT C7 C N N 127 +DT C6 C N N 128 +DT HOP3 H N N 129 +DT HOP2 H N N 130 +DT "H5'" H N N 131 +DT "H5''" H N N 132 +DT "H4'" H N N 133 +DT "H3'" H N N 134 +DT "HO3'" H N N 135 +DT "H2'" H N N 136 +DT "H2''" H N N 137 +DT "H1'" H N N 138 +DT H3 H N N 139 +DT H71 H N N 140 +DT H72 H N N 141 +DT H73 H N N 142 +DT H6 H N N 143 +DU OP3 O N N 144 +DU P P N N 145 +DU OP1 O N N 146 +DU OP2 O N N 147 +DU "O5'" O N N 148 +DU "C5'" C N N 149 +DU "C4'" C N R 150 +DU "O4'" O N N 151 +DU "C3'" C N S 152 +DU "O3'" O N N 153 +DU "C2'" C N N 154 +DU "C1'" C N R 155 +DU N1 N N N 156 +DU C2 C N N 157 +DU O2 O N N 158 +DU N3 N N N 159 +DU C4 C N N 160 +DU O4 O N N 161 +DU C5 C N N 162 +DU C6 C N N 163 +DU HOP3 H N N 164 +DU HOP2 H N N 165 +DU "H5'" H N N 166 +DU "H5''" H N N 167 +DU "H4'" H N N 168 +DU "H3'" H N N 169 +DU "HO3'" H N N 170 +DU "H2'" H N N 171 +DU "H2''" H N N 172 +DU "H1'" H N N 173 +DU H3 H N N 174 +DU H5 H N N 175 +DU H6 H N N 176 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +DA OP3 P sing N N 1 +DA OP3 HOP3 sing N N 2 +DA P OP1 doub N N 3 +DA P OP2 sing N N 4 +DA P "O5'" sing N N 5 +DA OP2 HOP2 sing N N 6 +DA "O5'" "C5'" sing N N 7 +DA "C5'" "C4'" sing N N 8 +DA "C5'" "H5'" sing N N 9 +DA "C5'" "H5''" sing N N 10 +DA "C4'" "O4'" sing N N 11 +DA "C4'" "C3'" sing N N 12 +DA "C4'" "H4'" sing N N 13 +DA "O4'" "C1'" sing N N 14 +DA "C3'" "O3'" sing N N 15 +DA "C3'" "C2'" sing N N 16 +DA "C3'" "H3'" sing N N 17 +DA "O3'" "HO3'" sing N N 18 +DA "C2'" "C1'" sing N N 19 +DA "C2'" "H2'" sing N N 20 +DA "C2'" "H2''" sing N N 21 +DA "C1'" N9 sing N N 22 +DA "C1'" "H1'" sing N N 23 +DA N9 C8 sing Y N 24 +DA N9 C4 sing Y N 25 +DA C8 N7 doub Y N 26 +DA C8 H8 sing N N 27 +DA N7 C5 sing Y N 28 +DA C5 C6 sing Y N 29 +DA C5 C4 doub Y N 30 +DA C6 N6 sing N N 31 +DA C6 N1 doub Y N 32 +DA N6 H61 sing N N 33 +DA N6 H62 sing N N 34 +DA N1 C2 sing Y N 35 +DA C2 N3 doub Y N 36 +DA C2 H2 sing N N 37 +DA N3 C4 sing Y N 38 +DC OP3 P sing N N 39 +DC OP3 HOP3 sing N N 40 +DC P OP1 doub N N 41 +DC P OP2 sing N N 42 +DC P "O5'" sing N N 43 +DC OP2 HOP2 sing N N 44 +DC "O5'" "C5'" sing N N 45 +DC "C5'" "C4'" sing N N 46 +DC "C5'" "H5'" sing N N 47 +DC "C5'" "H5''" sing N N 48 +DC "C4'" "O4'" sing N N 49 +DC "C4'" "C3'" sing N N 50 +DC "C4'" "H4'" sing N N 51 +DC "O4'" "C1'" sing N N 52 +DC "C3'" "O3'" sing N N 53 +DC "C3'" "C2'" sing N N 54 +DC "C3'" "H3'" sing N N 55 +DC "O3'" "HO3'" sing N N 56 +DC "C2'" "C1'" sing N N 57 +DC "C2'" "H2'" sing N N 58 +DC "C2'" "H2''" sing N N 59 +DC "C1'" N1 sing N N 60 +DC "C1'" "H1'" sing N N 61 +DC N1 C2 sing N N 62 +DC N1 C6 sing N N 63 +DC C2 O2 doub N N 64 +DC C2 N3 sing N N 65 +DC N3 C4 doub N N 66 +DC C4 N4 sing N N 67 +DC C4 C5 sing N N 68 +DC N4 H41 sing N N 69 +DC N4 H42 sing N N 70 +DC C5 C6 doub N N 71 +DC C5 H5 sing N N 72 +DC C6 H6 sing N N 73 +DG OP3 P sing N N 74 +DG OP3 HOP3 sing N N 75 +DG P OP1 doub N N 76 +DG P OP2 sing N N 77 +DG P "O5'" sing N N 78 +DG OP2 HOP2 sing N N 79 +DG "O5'" "C5'" sing N N 80 +DG "C5'" "C4'" sing N N 81 +DG "C5'" "H5'" sing N N 82 +DG "C5'" "H5''" sing N N 83 +DG "C4'" "O4'" sing N N 84 +DG "C4'" "C3'" sing N N 85 +DG "C4'" "H4'" sing N N 86 +DG "O4'" "C1'" sing N N 87 +DG "C3'" "O3'" sing N N 88 +DG "C3'" "C2'" sing N N 89 +DG "C3'" "H3'" sing N N 90 +DG "O3'" "HO3'" sing N N 91 +DG "C2'" "C1'" sing N N 92 +DG "C2'" "H2'" sing N N 93 +DG "C2'" "H2''" sing N N 94 +DG "C1'" N9 sing N N 95 +DG "C1'" "H1'" sing N N 96 +DG N9 C8 sing Y N 97 +DG N9 C4 sing Y N 98 +DG C8 N7 doub Y N 99 +DG C8 H8 sing N N 100 +DG N7 C5 sing Y N 101 +DG C5 C6 sing N N 102 +DG C5 C4 doub Y N 103 +DG C6 O6 doub N N 104 +DG C6 N1 sing N N 105 +DG N1 C2 sing N N 106 +DG N1 H1 sing N N 107 +DG C2 N2 sing N N 108 +DG C2 N3 doub N N 109 +DG N2 H21 sing N N 110 +DG N2 H22 sing N N 111 +DG N3 C4 sing N N 112 +DT OP3 P sing N N 113 +DT OP3 HOP3 sing N N 114 +DT P OP1 doub N N 115 +DT P OP2 sing N N 116 +DT P "O5'" sing N N 117 +DT OP2 HOP2 sing N N 118 +DT "O5'" "C5'" sing N N 119 +DT "C5'" "C4'" sing N N 120 +DT "C5'" "H5'" sing N N 121 +DT "C5'" "H5''" sing N N 122 +DT "C4'" "O4'" sing N N 123 +DT "C4'" "C3'" sing N N 124 +DT "C4'" "H4'" sing N N 125 +DT "O4'" "C1'" sing N N 126 +DT "C3'" "O3'" sing N N 127 +DT "C3'" "C2'" sing N N 128 +DT "C3'" "H3'" sing N N 129 +DT "O3'" "HO3'" sing N N 130 +DT "C2'" "C1'" sing N N 131 +DT "C2'" "H2'" sing N N 132 +DT "C2'" "H2''" sing N N 133 +DT "C1'" N1 sing N N 134 +DT "C1'" "H1'" sing N N 135 +DT N1 C2 sing N N 136 +DT N1 C6 sing N N 137 +DT C2 O2 doub N N 138 +DT C2 N3 sing N N 139 +DT N3 C4 sing N N 140 +DT N3 H3 sing N N 141 +DT C4 O4 doub N N 142 +DT C4 C5 sing N N 143 +DT C5 C7 sing N N 144 +DT C5 C6 doub N N 145 +DT C7 H71 sing N N 146 +DT C7 H72 sing N N 147 +DT C7 H73 sing N N 148 +DT C6 H6 sing N N 149 +DU OP3 P sing N N 150 +DU OP3 HOP3 sing N N 151 +DU P OP1 doub N N 152 +DU P OP2 sing N N 153 +DU P "O5'" sing N N 154 +DU OP2 HOP2 sing N N 155 +DU "O5'" "C5'" sing N N 156 +DU "C5'" "C4'" sing N N 157 +DU "C5'" "H5'" sing N N 158 +DU "C5'" "H5''" sing N N 159 +DU "C4'" "O4'" sing N N 160 +DU "C4'" "C3'" sing N N 161 +DU "C4'" "H4'" sing N N 162 +DU "O4'" "C1'" sing N N 163 +DU "C3'" "O3'" sing N N 164 +DU "C3'" "C2'" sing N N 165 +DU "C3'" "H3'" sing N N 166 +DU "O3'" "HO3'" sing N N 167 +DU "C2'" "C1'" sing N N 168 +DU "C2'" "H2'" sing N N 169 +DU "C2'" "H2''" sing N N 170 +DU "C1'" N1 sing N N 171 +DU "C1'" "H1'" sing N N 172 +DU N1 C2 sing N N 173 +DU N1 C6 sing N N 174 +DU C2 O2 doub N N 175 +DU C2 N3 sing N N 176 +DU N3 C4 sing N N 177 +DU N3 H3 sing N N 178 +DU C4 O4 doub N N 179 +DU C4 C5 sing N N 180 +DU C5 C6 doub N N 181 +DU C5 H5 sing N N 182 +DU C6 H6 sing N N 183 +# +loop_ +_ndb_struct_conf_na.entry_id +_ndb_struct_conf_na.feature +1II1 'double helix' +1II1 'b-form double helix' +1II1 'hairpin loop' +# +loop_ +_ndb_struct_na_base_pair.model_number +_ndb_struct_na_base_pair.i_label_asym_id +_ndb_struct_na_base_pair.i_label_comp_id +_ndb_struct_na_base_pair.i_label_seq_id +_ndb_struct_na_base_pair.i_symmetry +_ndb_struct_na_base_pair.j_label_asym_id +_ndb_struct_na_base_pair.j_label_comp_id +_ndb_struct_na_base_pair.j_label_seq_id +_ndb_struct_na_base_pair.j_symmetry +_ndb_struct_na_base_pair.shear +_ndb_struct_na_base_pair.stretch +_ndb_struct_na_base_pair.stagger +_ndb_struct_na_base_pair.buckle +_ndb_struct_na_base_pair.propeller +_ndb_struct_na_base_pair.opening +_ndb_struct_na_base_pair.pair_number +_ndb_struct_na_base_pair.pair_name +_ndb_struct_na_base_pair.i_auth_asym_id +_ndb_struct_na_base_pair.i_auth_seq_id +_ndb_struct_na_base_pair.i_PDB_ins_code +_ndb_struct_na_base_pair.j_auth_asym_id +_ndb_struct_na_base_pair.j_auth_seq_id +_ndb_struct_na_base_pair.j_PDB_ins_code +_ndb_struct_na_base_pair.hbond_type_28 +_ndb_struct_na_base_pair.hbond_type_12 +1 A DA 1 1_555 A DT 18 1_555 0.034 -0.322 -0.817 15.584 -21.114 16.200 1 A_DA1:DT9B_A A 1 ? A 9 B 20 1 +1 A DG 2 1_555 A DC 17 1_555 -0.030 -0.134 -0.357 2.621 -7.807 -0.518 2 A_DG2:DC8B_A A 2 ? A 8 B 19 1 +1 A DG 3 1_555 A DC 16 1_555 -0.588 -0.249 -0.566 -12.346 -13.745 -1.549 3 A_DG3:DC7B_A A 3 ? A 7 B 19 1 +1 A DA 4 1_555 A DT 15 1_555 -0.113 -0.126 0.282 10.563 1.584 4.020 4 A_DA4:DT6B_A A 4 ? A 6 B 20 1 +1 A DT 5 1_555 A DA 14 1_555 0.052 -0.098 -0.539 18.715 3.711 2.655 5 A_DT5:DA5B_A A 5 ? A 5 B 20 1 +1 A DC 6 1_555 A DG 13 1_555 0.160 -0.120 0.066 9.711 0.062 -1.975 6 A_DC6:DG4B_A A 6 ? A 4 B 19 1 +1 A DC 7 1_555 A DG 12 1_555 0.458 -0.197 -0.573 20.298 -7.334 0.225 7 A_DC7:DG3B_A A 7 ? A 3 B 19 1 +1 A DU 8 1_555 A DT 10 1_555 2.331 2.486 1.455 -63.199 -14.776 -38.569 8 A_DU8:DT1B_A A 8 ? A 1 B ? ? +# +loop_ +_ndb_struct_na_base_pair_step.model_number +_ndb_struct_na_base_pair_step.i_label_asym_id_1 +_ndb_struct_na_base_pair_step.i_label_comp_id_1 +_ndb_struct_na_base_pair_step.i_label_seq_id_1 +_ndb_struct_na_base_pair_step.i_symmetry_1 +_ndb_struct_na_base_pair_step.j_label_asym_id_1 +_ndb_struct_na_base_pair_step.j_label_comp_id_1 +_ndb_struct_na_base_pair_step.j_label_seq_id_1 +_ndb_struct_na_base_pair_step.j_symmetry_1 +_ndb_struct_na_base_pair_step.i_label_asym_id_2 +_ndb_struct_na_base_pair_step.i_label_comp_id_2 +_ndb_struct_na_base_pair_step.i_label_seq_id_2 +_ndb_struct_na_base_pair_step.i_symmetry_2 +_ndb_struct_na_base_pair_step.j_label_asym_id_2 +_ndb_struct_na_base_pair_step.j_label_comp_id_2 +_ndb_struct_na_base_pair_step.j_label_seq_id_2 +_ndb_struct_na_base_pair_step.j_symmetry_2 +_ndb_struct_na_base_pair_step.shift +_ndb_struct_na_base_pair_step.slide +_ndb_struct_na_base_pair_step.rise +_ndb_struct_na_base_pair_step.tilt +_ndb_struct_na_base_pair_step.roll +_ndb_struct_na_base_pair_step.twist +_ndb_struct_na_base_pair_step.x_displacement +_ndb_struct_na_base_pair_step.y_displacement +_ndb_struct_na_base_pair_step.helical_rise +_ndb_struct_na_base_pair_step.inclination +_ndb_struct_na_base_pair_step.tip +_ndb_struct_na_base_pair_step.helical_twist +_ndb_struct_na_base_pair_step.step_number +_ndb_struct_na_base_pair_step.step_name +_ndb_struct_na_base_pair_step.i_auth_asym_id_1 +_ndb_struct_na_base_pair_step.i_auth_seq_id_1 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.j_auth_asym_id_1 +_ndb_struct_na_base_pair_step.j_auth_seq_id_1 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.i_auth_asym_id_2 +_ndb_struct_na_base_pair_step.i_auth_seq_id_2 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 +_ndb_struct_na_base_pair_step.j_auth_asym_id_2 +_ndb_struct_na_base_pair_step.j_auth_seq_id_2 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 +1 A DA 1 1_555 A DT 18 1_555 A DG 2 1_555 A DC 17 1_555 -1.777 -0.234 3.273 -12.711 20.253 36.611 -2.431 1.070 3.170 28.787 +18.067 43.502 1 AA_DA1DG2:DC8BDT9B_AA A 1 ? A 9 B A 2 ? A 8 B +1 A DG 2 1_555 A DC 17 1_555 A DG 3 1_555 A DC 16 1_555 0.198 -1.575 3.447 1.642 13.554 29.029 -5.191 -0.075 2.490 25.347 +-3.071 32.017 2 AA_DG2DG3:DC7BDC8B_AA A 2 ? A 8 B A 3 ? A 7 B +1 A DG 3 1_555 A DC 16 1_555 A DA 4 1_555 A DT 15 1_555 -0.008 -0.183 2.649 -9.372 -1.617 34.764 -0.110 -1.070 2.571 -2.645 +15.333 36.002 3 AA_DG3DA4:DT6BDC7B_AA A 3 ? A 7 B A 4 ? A 6 B +1 A DA 4 1_555 A DT 15 1_555 A DT 5 1_555 A DA 14 1_555 -0.348 -1.801 3.168 3.648 2.030 25.451 -4.569 1.738 2.939 4.570 +-8.209 25.785 4 AA_DA4DT5:DA5BDT6B_AA A 4 ? A 6 B A 5 ? A 5 B +1 A DT 5 1_555 A DA 14 1_555 A DC 6 1_555 A DG 13 1_555 0.400 -1.187 3.502 -6.023 9.782 23.443 -5.274 -2.515 2.624 22.429 +13.809 26.071 5 AA_DT5DC6:DG4BDA5B_AA A 5 ? A 5 B A 6 ? A 4 B +1 A DC 6 1_555 A DG 13 1_555 A DC 7 1_555 A DG 12 1_555 -0.369 -1.843 2.894 0.081 4.562 34.520 -3.670 0.628 2.635 7.646 +-0.136 34.811 6 AA_DC6DC7:DG3BDG4B_AA A 6 ? A 4 B A 7 ? A 3 B +1 A DC 7 1_555 A DG 12 1_555 A DU 8 1_555 A DT 10 1_555 0.056 -1.120 2.978 51.720 63.603 53.395 -1.829 0.832 1.151 48.614 +-39.532 95.190 7 AA_DC7DU8:DT1BDG3B_AA A 7 ? A 3 B A 8 ? A 1 B +# +loop_ +_pdbx_nmr_spectrometer.spectrometer_id +_pdbx_nmr_spectrometer.type +_pdbx_nmr_spectrometer.manufacturer +_pdbx_nmr_spectrometer.model +_pdbx_nmr_spectrometer.field_strength +1 ? Varian UNITYPLUS 600 +2 ? Bruker AMX 500 +# +_atom_sites.entry_id 1II1 +_atom_sites.fract_transf_matrix[1][1] 1.000000 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 1.000000 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 1.000000 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +H +N +O +P +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 O "O5'" . DA A 1 1 ? 8.904 -8.242 1.597 1.00 0.00 ? 1 DA A "O5'" 1 +ATOM 2 C "C5'" . DA A 1 1 ? 7.547 -7.924 1.349 1.00 0.00 ? 1 DA A "C5'" 1 +ATOM 3 C "C4'" . DA A 1 1 ? 7.180 -6.580 1.989 1.00 0.00 ? 1 DA A "C4'" 1 +ATOM 4 O "O4'" . DA A 1 1 ? 5.817 -6.229 1.775 1.00 0.00 ? 1 DA A "O4'" 1 +ATOM 5 C "C3'" . DA A 1 1 ? 7.395 -6.551 3.520 1.00 0.00 ? 1 DA A "C3'" 1 +ATOM 6 O "O3'" . DA A 1 1 ? 8.154 -5.438 3.932 1.00 0.00 ? 1 DA A "O3'" 1 +ATOM 7 C "C2'" . DA A 1 1 ? 5.977 -6.351 4.023 1.00 0.00 ? 1 DA A "C2'" 1 +ATOM 8 C "C1'" . DA A 1 1 ? 5.450 -5.463 2.905 1.00 0.00 ? 1 DA A "C1'" 1 +ATOM 9 N N9 . DA A 1 1 ? 4.001 -5.241 2.976 1.00 0.00 ? 1 DA A N9 1 +ATOM 10 C C8 . DA A 1 1 ? 3.080 -5.738 3.860 1.00 0.00 ? 1 DA A C8 1 +ATOM 11 N N7 . DA A 1 1 ? 1.867 -5.287 3.679 1.00 0.00 ? 1 DA A N7 1 +ATOM 12 C C5 . DA A 1 1 ? 2.015 -4.402 2.602 1.00 0.00 ? 1 DA A C5 1 +ATOM 13 C C6 . DA A 1 1 ? 1.167 -3.532 1.876 1.00 0.00 ? 1 DA A C6 1 +ATOM 14 N N6 . DA A 1 1 ? -0.112 -3.320 2.117 1.00 0.00 ? 1 DA A N6 1 +ATOM 15 N N1 . DA A 1 1 ? 1.631 -2.814 0.848 1.00 0.00 ? 1 DA A N1 1 +ATOM 16 C C2 . DA A 1 1 ? 2.917 -2.910 0.539 1.00 0.00 ? 1 DA A C2 1 +ATOM 17 N N3 . DA A 1 1 ? 3.833 -3.657 1.138 1.00 0.00 ? 1 DA A N3 1 +ATOM 18 C C4 . DA A 1 1 ? 3.315 -4.377 2.171 1.00 0.00 ? 1 DA A C4 1 +ATOM 19 H "H5'" . DA A 1 1 ? 6.915 -8.716 1.752 1.00 0.00 ? 1 DA A "H5'" 1 +ATOM 20 H "H5''" . DA A 1 1 ? 7.391 -7.862 0.271 1.00 0.00 ? 1 DA A "H5''" 1 +ATOM 21 H "H4'" . DA A 1 1 ? 7.777 -5.803 1.509 1.00 0.00 ? 1 DA A "H4'" 1 +ATOM 22 H "H3'" . DA A 1 1 ? 7.765 -7.487 3.938 1.00 0.00 ? 1 DA A "H3'" 1 +ATOM 23 H "H2'" . DA A 1 1 ? 5.459 -7.311 4.042 1.00 0.00 ? 1 DA A "H2'" 1 +ATOM 24 H "H2''" . DA A 1 1 ? 5.940 -5.879 5.005 1.00 0.00 ? 1 DA A "H2''" 1 +ATOM 25 H "H1'" . DA A 1 1 ? 5.964 -4.500 2.882 1.00 0.00 ? 1 DA A "H1'" 1 +ATOM 26 H H8 . DA A 1 1 ? 3.349 -6.450 4.630 1.00 0.00 ? 1 DA A H8 1 +ATOM 27 H H61 . DA A 1 1 ? -0.559 -2.608 1.552 1.00 0.00 ? 1 DA A H61 1 +ATOM 28 H H62 . DA A 1 1 ? -0.544 -3.761 2.910 1.00 0.00 ? 1 DA A H62 1 +ATOM 29 H H2 . DA A 1 1 ? 3.254 -2.322 -0.300 1.00 0.00 ? 1 DA A H2 1 +ATOM 30 H "HO5'" . DA A 1 1 ? 9.398 -7.423 1.790 1.00 0.00 ? 1 DA A "HO5'" 1 +ATOM 31 P P . DG A 1 2 ? 9.743 -5.418 3.757 1.00 0.00 ? 2 DG A P 1 +ATOM 32 O OP1 . DG A 1 2 ? 10.057 -6.026 2.441 1.00 0.00 ? 2 DG A OP1 1 +ATOM 33 O OP2 . DG A 1 2 ? 10.339 -5.976 4.986 1.00 0.00 ? 2 DG A OP2 1 +ATOM 34 O "O5'" . DG A 1 2 ? 10.017 -3.834 3.698 1.00 0.00 ? 2 DG A "O5'" 1 +ATOM 35 C "C5'" . DG A 1 2 ? 10.062 -3.112 2.478 1.00 0.00 ? 2 DG A "C5'" 1 +ATOM 36 C "C4'" . DG A 1 2 ? 9.775 -1.604 2.669 1.00 0.00 ? 2 DG A "C4'" 1 +ATOM 37 O "O4'" . DG A 1 2 ? 8.369 -1.358 2.629 1.00 0.00 ? 2 DG A "O4'" 1 +ATOM 38 C "C3'" . DG A 1 2 ? 10.287 -1.020 4.001 1.00 0.00 ? 2 DG A "C3'" 1 +ATOM 39 O "O3'" . DG A 1 2 ? 10.621 0.344 3.792 1.00 0.00 ? 2 DG A "O3'" 1 +ATOM 40 C "C2'" . DG A 1 2 ? 9.046 -1.167 4.870 1.00 0.00 ? 2 DG A "C2'" 1 +ATOM 41 C "C1'" . DG A 1 2 ? 7.983 -0.765 3.855 1.00 0.00 ? 2 DG A "C1'" 1 +ATOM 42 N N9 . DG A 1 2 ? 6.616 -1.194 4.192 1.00 0.00 ? 2 DG A N9 1 +ATOM 43 C C8 . DG A 1 2 ? 6.200 -2.423 4.628 1.00 0.00 ? 2 DG A C8 1 +ATOM 44 N N7 . DG A 1 2 ? 4.906 -2.608 4.574 1.00 0.00 ? 2 DG A N7 1 +ATOM 45 C C5 . DG A 1 2 ? 4.424 -1.391 4.073 1.00 0.00 ? 2 DG A C5 1 +ATOM 46 C C6 . DG A 1 2 ? 3.099 -0.894 3.817 1.00 0.00 ? 2 DG A C6 1 +ATOM 47 O O6 . DG A 1 2 ? 2.028 -1.480 3.906 1.00 0.00 ? 2 DG A O6 1 +ATOM 48 N N1 . DG A 1 2 ? 3.048 0.428 3.412 1.00 0.00 ? 2 DG A N1 1 +ATOM 49 C C2 . DG A 1 2 ? 4.159 1.156 3.153 1.00 0.00 ? 2 DG A C2 1 +ATOM 50 N N2 . DG A 1 2 ? 3.991 2.416 2.871 1.00 0.00 ? 2 DG A N2 1 +ATOM 51 N N3 . DG A 1 2 ? 5.401 0.728 3.334 1.00 0.00 ? 2 DG A N3 1 +ATOM 52 C C4 . DG A 1 2 ? 5.473 -0.546 3.804 1.00 0.00 ? 2 DG A C4 1 +ATOM 53 H "H5'" . DG A 1 2 ? 9.347 -3.505 1.751 1.00 0.00 ? 2 DG A "H5'" 1 +ATOM 54 H "H5''" . DG A 1 2 ? 11.065 -3.231 2.064 1.00 0.00 ? 2 DG A "H5''" 1 +ATOM 55 H "H4'" . DG A 1 2 ? 10.233 -1.077 1.830 1.00 0.00 ? 2 DG A "H4'" 1 +ATOM 56 H "H3'" . DG A 1 2 ? 11.129 -1.583 4.405 1.00 0.00 ? 2 DG A "H3'" 1 +ATOM 57 H "H2'" . DG A 1 2 ? 8.947 -2.204 5.181 1.00 0.00 ? 2 DG A "H2'" 1 +ATOM 58 H "H2''" . DG A 1 2 ? 9.072 -0.539 5.755 1.00 0.00 ? 2 DG A "H2''" 1 +ATOM 59 H "H1'" . DG A 1 2 ? 8.009 0.320 3.735 1.00 0.00 ? 2 DG A "H1'" 1 +ATOM 60 H H8 . DG A 1 2 ? 6.898 -3.180 4.955 1.00 0.00 ? 2 DG A H8 1 +ATOM 61 H H1 . DG A 1 2 ? 2.141 0.861 3.288 1.00 0.00 ? 2 DG A H1 1 +ATOM 62 H H21 . DG A 1 2 ? 3.073 2.832 2.853 1.00 0.00 ? 2 DG A H21 1 +ATOM 63 H H22 . DG A 1 2 ? 4.840 2.948 2.828 1.00 0.00 ? 2 DG A H22 1 +ATOM 64 P P . DG A 1 3 ? 11.021 1.335 4.994 1.00 0.00 ? 3 DG A P 1 +ATOM 65 O OP1 . DG A 1 3 ? 11.926 2.364 4.439 1.00 0.00 ? 3 DG A OP1 1 +ATOM 66 O OP2 . DG A 1 3 ? 11.461 0.511 6.139 1.00 0.00 ? 3 DG A OP2 1 +ATOM 67 O "O5'" . DG A 1 3 ? 9.616 2.048 5.378 1.00 0.00 ? 3 DG A "O5'" 1 +ATOM 68 C "C5'" . DG A 1 3 ? 9.062 3.066 4.554 1.00 0.00 ? 3 DG A "C5'" 1 +ATOM 69 C "C4'" . DG A 1 3 ? 7.811 3.748 5.147 1.00 0.00 ? 3 DG A "C4'" 1 +ATOM 70 O "O4'" . DG A 1 3 ? 6.629 2.949 5.102 1.00 0.00 ? 3 DG A "O4'" 1 +ATOM 71 C "C3'" . DG A 1 3 ? 7.965 4.243 6.598 1.00 0.00 ? 3 DG A "C3'" 1 +ATOM 72 O "O3'" . DG A 1 3 ? 7.710 5.634 6.684 1.00 0.00 ? 3 DG A "O3'" 1 +ATOM 73 C "C2'" . DG A 1 3 ? 6.878 3.429 7.295 1.00 0.00 ? 3 DG A "C2'" 1 +ATOM 74 C "C1'" . DG A 1 3 ? 5.817 3.313 6.207 1.00 0.00 ? 3 DG A "C1'" 1 +ATOM 75 N N9 . DG A 1 3 ? 4.827 2.241 6.469 1.00 0.00 ? 3 DG A N9 1 +ATOM 76 C C8 . DG A 1 3 ? 5.075 0.933 6.795 1.00 0.00 ? 3 DG A C8 1 +ATOM 77 N N7 . DG A 1 3 ? 4.018 0.177 6.866 1.00 0.00 ? 3 DG A N7 1 +ATOM 78 C C5 . DG A 1 3 ? 2.972 1.058 6.593 1.00 0.00 ? 3 DG A C5 1 +ATOM 79 C C6 . DG A 1 3 ? 1.555 0.851 6.511 1.00 0.00 ? 3 DG A C6 1 +ATOM 80 O O6 . DG A 1 3 ? 0.927 -0.195 6.599 1.00 0.00 ? 3 DG A O6 1 +ATOM 81 N N1 . DG A 1 3 ? 0.823 2.003 6.327 1.00 0.00 ? 3 DG A N1 1 +ATOM 82 C C2 . DG A 1 3 ? 1.393 3.214 6.123 1.00 0.00 ? 3 DG A C2 1 +ATOM 83 N N2 . DG A 1 3 ? 0.568 4.213 5.965 1.00 0.00 ? 3 DG A N2 1 +ATOM 84 N N3 . DG A 1 3 ? 2.705 3.449 6.148 1.00 0.00 ? 3 DG A N3 1 +ATOM 85 C C4 . DG A 1 3 ? 3.453 2.333 6.394 1.00 0.00 ? 3 DG A C4 1 +ATOM 86 H "H5'" . DG A 1 3 ? 8.810 2.658 3.573 1.00 0.00 ? 3 DG A "H5'" 1 +ATOM 87 H "H5''" . DG A 1 3 ? 9.807 3.853 4.415 1.00 0.00 ? 3 DG A "H5''" 1 +ATOM 88 H "H4'" . DG A 1 3 ? 7.607 4.612 4.511 1.00 0.00 ? 3 DG A "H4'" 1 +ATOM 89 H "H3'" . DG A 1 3 ? 8.955 4.004 6.996 1.00 0.00 ? 3 DG A "H3'" 1 +ATOM 90 H "H2'" . DG A 1 3 ? 7.266 2.455 7.570 1.00 0.00 ? 3 DG A "H2'" 1 +ATOM 91 H "H2''" . DG A 1 3 ? 6.521 3.927 8.185 1.00 0.00 ? 3 DG A "H2''" 1 +ATOM 92 H "H1'" . DG A 1 3 ? 5.342 4.279 6.044 1.00 0.00 ? 3 DG A "H1'" 1 +ATOM 93 H H8 . DG A 1 3 ? 6.063 0.544 6.967 1.00 0.00 ? 3 DG A H8 1 +ATOM 94 H H1 . DG A 1 3 ? -0.185 1.891 6.332 1.00 0.00 ? 3 DG A H1 1 +ATOM 95 H H21 . DG A 1 3 ? -0.429 4.072 6.055 1.00 0.00 ? 3 DG A H21 1 +ATOM 96 H H22 . DG A 1 3 ? 0.993 5.117 5.876 1.00 0.00 ? 3 DG A H22 1 +ATOM 97 P P . DA A 1 4 ? 7.887 6.451 8.062 1.00 0.00 ? 4 DA A P 1 +ATOM 98 O OP1 . DA A 1 4 ? 8.583 7.719 7.754 1.00 0.00 ? 4 DA A OP1 1 +ATOM 99 O OP2 . DA A 1 4 ? 8.431 5.540 9.091 1.00 0.00 ? 4 DA A OP2 1 +ATOM 100 O "O5'" . DA A 1 4 ? 6.365 6.798 8.452 1.00 0.00 ? 4 DA A "O5'" 1 +ATOM 101 C "C5'" . DA A 1 4 ? 5.619 7.724 7.680 1.00 0.00 ? 4 DA A "C5'" 1 +ATOM 102 C "C4'" . DA A 1 4 ? 4.157 7.828 8.140 1.00 0.00 ? 4 DA A "C4'" 1 +ATOM 103 O "O4'" . DA A 1 4 ? 3.506 6.568 8.038 1.00 0.00 ? 4 DA A "O4'" 1 +ATOM 104 C "C3'" . DA A 1 4 ? 3.963 8.341 9.580 1.00 0.00 ? 4 DA A "C3'" 1 +ATOM 105 O "O3'" . DA A 1 4 ? 2.951 9.330 9.589 1.00 0.00 ? 4 DA A "O3'" 1 +ATOM 106 C "C2'" . DA A 1 4 ? 3.549 7.062 10.305 1.00 0.00 ? 4 DA A "C2'" 1 +ATOM 107 C "C1'" . DA A 1 4 ? 2.760 6.340 9.216 1.00 0.00 ? 4 DA A "C1'" 1 +ATOM 108 N N9 . DA A 1 4 ? 2.734 4.880 9.436 1.00 0.00 ? 4 DA A N9 1 +ATOM 109 C C8 . DA A 1 4 ? 3.783 4.012 9.629 1.00 0.00 ? 4 DA A C8 1 +ATOM 110 N N7 . DA A 1 4 ? 3.438 2.756 9.705 1.00 0.00 ? 4 DA A N7 1 +ATOM 111 C C5 . DA A 1 4 ? 2.049 2.804 9.560 1.00 0.00 ? 4 DA A C5 1 +ATOM 112 C C6 . DA A 1 4 ? 1.014 1.844 9.526 1.00 0.00 ? 4 DA A C6 1 +ATOM 113 N N6 . DA A 1 4 ? 1.198 0.543 9.627 1.00 0.00 ? 4 DA A N6 1 +ATOM 114 N N1 . DA A 1 4 ? -0.260 2.215 9.363 1.00 0.00 ? 4 DA A N1 1 +ATOM 115 C C2 . DA A 1 4 ? -0.533 3.508 9.240 1.00 0.00 ? 4 DA A C2 1 +ATOM 116 N N3 . DA A 1 4 ? 0.331 4.515 9.267 1.00 0.00 ? 4 DA A N3 1 +ATOM 117 C C4 . DA A 1 4 ? 1.615 4.095 9.422 1.00 0.00 ? 4 DA A C4 1 +ATOM 118 H "H5'" . DA A 1 4 ? 5.617 7.414 6.632 1.00 0.00 ? 4 DA A "H5'" 1 +ATOM 119 H "H5''" . DA A 1 4 ? 6.074 8.714 7.747 1.00 0.00 ? 4 DA A "H5''" 1 +ATOM 120 H "H4'" . DA A 1 4 ? 3.660 8.513 7.450 1.00 0.00 ? 4 DA A "H4'" 1 +ATOM 121 H "H3'" . DA A 1 4 ? 4.895 8.745 9.983 1.00 0.00 ? 4 DA A "H3'" 1 +ATOM 122 H "H2'" . DA A 1 4 ? 4.445 6.515 10.594 1.00 0.00 ? 4 DA A "H2'" 1 +ATOM 123 H "H2''" . DA A 1 4 ? 2.939 7.246 11.189 1.00 0.00 ? 4 DA A "H2''" 1 +ATOM 124 H "H1'" . DA A 1 4 ? 1.762 6.778 9.117 1.00 0.00 ? 4 DA A "H1'" 1 +ATOM 125 H H8 . DA A 1 4 ? 4.812 4.322 9.726 1.00 0.00 ? 4 DA A H8 1 +ATOM 126 H H61 . DA A 1 4 ? 0.382 -0.054 9.603 1.00 0.00 ? 4 DA A H61 1 +ATOM 127 H H62 . DA A 1 4 ? 2.132 0.183 9.720 1.00 0.00 ? 4 DA A H62 1 +ATOM 128 H H2 . DA A 1 4 ? -1.567 3.781 9.119 1.00 0.00 ? 4 DA A H2 1 +ATOM 129 P P . DT A 1 5 ? 2.516 10.095 10.932 1.00 0.00 ? 5 DT A P 1 +ATOM 130 O OP1 . DT A 1 5 ? 2.315 11.525 10.616 1.00 0.00 ? 5 DT A OP1 1 +ATOM 131 O OP2 . DT A 1 5 ? 3.432 9.700 12.024 1.00 0.00 ? 5 DT A OP2 1 +ATOM 132 O "O5'" . DT A 1 5 ? 1.084 9.428 11.203 1.00 0.00 ? 5 DT A "O5'" 1 +ATOM 133 C "C5'" . DT A 1 5 ? 0.510 9.381 12.496 1.00 0.00 ? 5 DT A "C5'" 1 +ATOM 134 C "C4'" . DT A 1 5 ? -0.837 8.639 12.436 1.00 0.00 ? 5 DT A "C4'" 1 +ATOM 135 O "O4'" . DT A 1 5 ? -0.628 7.315 11.941 1.00 0.00 ? 5 DT A "O4'" 1 +ATOM 136 C "C3'" . DT A 1 5 ? -1.477 8.504 13.835 1.00 0.00 ? 5 DT A "C3'" 1 +ATOM 137 O "O3'" . DT A 1 5 ? -2.886 8.611 13.758 1.00 0.00 ? 5 DT A "O3'" 1 +ATOM 138 C "C2'" . DT A 1 5 ? -1.118 7.061 14.168 1.00 0.00 ? 5 DT A "C2'" 1 +ATOM 139 C "C1'" . DT A 1 5 ? -1.281 6.414 12.801 1.00 0.00 ? 5 DT A "C1'" 1 +ATOM 140 N N1 . DT A 1 5 ? -0.626 5.077 12.750 1.00 0.00 ? 5 DT A N1 1 +ATOM 141 C C2 . DT A 1 5 ? -1.475 3.989 12.574 1.00 0.00 ? 5 DT A C2 1 +ATOM 142 O O2 . DT A 1 5 ? -2.691 4.064 12.499 1.00 0.00 ? 5 DT A O2 1 +ATOM 143 N N3 . DT A 1 5 ? -0.897 2.755 12.525 1.00 0.00 ? 5 DT A N3 1 +ATOM 144 C C4 . DT A 1 5 ? 0.435 2.479 12.654 1.00 0.00 ? 5 DT A C4 1 +ATOM 145 O O4 . DT A 1 5 ? 0.778 1.304 12.628 1.00 0.00 ? 5 DT A O4 1 +ATOM 146 C C5 . DT A 1 5 ? 1.296 3.647 12.845 1.00 0.00 ? 5 DT A C5 1 +ATOM 147 C C7 . DT A 1 5 ? 2.809 3.499 13.015 1.00 0.00 ? 5 DT A C7 1 +ATOM 148 C C6 . DT A 1 5 ? 0.745 4.891 12.904 1.00 0.00 ? 5 DT A C6 1 +ATOM 149 H "H5'" . DT A 1 5 ? 0.344 10.396 12.865 1.00 0.00 ? 5 DT A "H5'" 1 +ATOM 150 H "H5''" . DT A 1 5 ? 1.177 8.856 13.184 1.00 0.00 ? 5 DT A "H5''" 1 +ATOM 151 H "H4'" . DT A 1 5 ? -1.507 9.183 11.767 1.00 0.00 ? 5 DT A "H4'" 1 +ATOM 152 H "H3'" . DT A 1 5 ? -1.017 9.174 14.565 1.00 0.00 ? 5 DT A "H3'" 1 +ATOM 153 H "H2'" . DT A 1 5 ? -0.064 7.073 14.446 1.00 0.00 ? 5 DT A "H2'" 1 +ATOM 154 H "H2''" . DT A 1 5 ? -1.725 6.564 14.946 1.00 0.00 ? 5 DT A "H2''" 1 +ATOM 155 H "H1'" . DT A 1 5 ? -2.348 6.410 12.529 1.00 0.00 ? 5 DT A "H1'" 1 +ATOM 156 H H3 . DT A 1 5 ? -1.539 1.978 12.453 1.00 0.00 ? 5 DT A H3 1 +ATOM 157 H H71 . DT A 1 5 ? 3.064 3.478 14.076 1.00 0.00 ? 5 DT A H71 1 +ATOM 158 H H72 . DT A 1 5 ? 3.158 2.573 12.553 1.00 0.00 ? 5 DT A H72 1 +ATOM 159 H H73 . DT A 1 5 ? 3.342 4.326 12.541 1.00 0.00 ? 5 DT A H73 1 +ATOM 160 H H6 . DT A 1 5 ? 1.420 5.706 13.147 1.00 0.00 ? 5 DT A H6 1 +ATOM 161 P P . DC A 1 6 ? -3.688 9.829 14.440 1.00 0.00 ? 6 DC A P 1 +ATOM 162 O OP1 . DC A 1 6 ? -4.889 10.110 13.626 1.00 0.00 ? 6 DC A OP1 1 +ATOM 163 O OP2 . DC A 1 6 ? -2.732 10.916 14.743 1.00 0.00 ? 6 DC A OP2 1 +ATOM 164 O "O5'" . DC A 1 6 ? -4.168 9.182 15.834 1.00 0.00 ? 6 DC A "O5'" 1 +ATOM 165 C "C5'" . DC A 1 6 ? -3.253 8.852 16.866 1.00 0.00 ? 6 DC A "C5'" 1 +ATOM 166 C "C4'" . DC A 1 6 ? -3.573 7.454 17.419 1.00 0.00 ? 6 DC A "C4'" 1 +ATOM 167 O "O4'" . DC A 1 6 ? -3.399 6.476 16.384 1.00 0.00 ? 6 DC A "O4'" 1 +ATOM 168 C "C3'" . DC A 1 6 ? -2.629 7.075 18.589 1.00 0.00 ? 6 DC A "C3'" 1 +ATOM 169 O "O3'" . DC A 1 6 ? -3.318 6.438 19.640 1.00 0.00 ? 6 DC A "O3'" 1 +ATOM 170 C "C2'" . DC A 1 6 ? -1.702 6.096 17.891 1.00 0.00 ? 6 DC A "C2'" 1 +ATOM 171 C "C1'" . DC A 1 6 ? -2.691 5.404 16.949 1.00 0.00 ? 6 DC A "C1'" 1 +ATOM 172 N N1 . DC A 1 6 ? -2.040 4.375 16.099 1.00 0.00 ? 6 DC A N1 1 +ATOM 173 C C2 . DC A 1 6 ? -2.496 3.047 16.164 1.00 0.00 ? 6 DC A C2 1 +ATOM 174 O O2 . DC A 1 6 ? -3.679 2.791 16.351 1.00 0.00 ? 6 DC A O2 1 +ATOM 175 N N3 . DC A 1 6 ? -1.625 2.001 16.038 1.00 0.00 ? 6 DC A N3 1 +ATOM 176 C C4 . DC A 1 6 ? -0.335 2.271 15.899 1.00 0.00 ? 6 DC A C4 1 +ATOM 177 N N4 . DC A 1 6 ? 0.480 1.263 15.783 1.00 0.00 ? 6 DC A N4 1 +ATOM 178 C C5 . DC A 1 6 ? 0.154 3.602 15.800 1.00 0.00 ? 6 DC A C5 1 +ATOM 179 C C6 . DC A 1 6 ? -0.722 4.581 15.867 1.00 0.00 ? 6 DC A C6 1 +ATOM 180 H "H5'" . DC A 1 6 ? -3.359 9.593 17.661 1.00 0.00 ? 6 DC A "H5'" 1 +ATOM 181 H "H5''" . DC A 1 6 ? -2.214 8.859 16.533 1.00 0.00 ? 6 DC A "H5''" 1 +ATOM 182 H "H4'" . DC A 1 6 ? -4.609 7.442 17.763 1.00 0.00 ? 6 DC A "H4'" 1 +ATOM 183 H "H3'" . DC A 1 6 ? -2.059 7.942 18.929 1.00 0.00 ? 6 DC A "H3'" 1 +ATOM 184 H "H2'" . DC A 1 6 ? -0.991 6.745 17.394 1.00 0.00 ? 6 DC A "H2'" 1 +ATOM 185 H "H2''" . DC A 1 6 ? -1.108 5.370 18.456 1.00 0.00 ? 6 DC A "H2''" 1 +ATOM 186 H "H1'" . DC A 1 6 ? -3.450 4.937 17.489 1.00 0.00 ? 6 DC A "H1'" 1 +ATOM 187 H H41 . DC A 1 6 ? 0.060 0.351 15.861 1.00 0.00 ? 6 DC A H41 1 +ATOM 188 H H42 . DC A 1 6 ? 1.457 1.411 15.620 1.00 0.00 ? 6 DC A H42 1 +ATOM 189 H H5 . DC A 1 6 ? 1.106 4.069 15.835 1.00 0.00 ? 6 DC A H5 1 +ATOM 190 H H6 . DC A 1 6 ? -0.256 5.544 15.855 1.00 0.00 ? 6 DC A H6 1 +ATOM 191 P P . DC A 1 7 ? -2.679 6.371 21.111 1.00 0.00 ? 7 DC A P 1 +ATOM 192 O OP1 . DC A 1 7 ? -3.041 7.612 21.825 1.00 0.00 ? 7 DC A OP1 1 +ATOM 193 O OP2 . DC A 1 7 ? -1.260 5.982 20.966 1.00 0.00 ? 7 DC A OP2 1 +ATOM 194 O "O5'" . DC A 1 7 ? -3.465 5.133 21.765 1.00 0.00 ? 7 DC A "O5'" 1 +ATOM 195 C "C5'" . DC A 1 7 ? -4.832 5.208 22.129 1.00 0.00 ? 7 DC A "C5'" 1 +ATOM 196 C "C4'" . DC A 1 7 ? -5.483 3.826 22.376 1.00 0.00 ? 7 DC A "C4'" 1 +ATOM 197 O "O4'" . DC A 1 7 ? -5.642 3.098 21.135 1.00 0.00 ? 7 DC A "O4'" 1 +ATOM 198 C "C3'" . DC A 1 7 ? -4.659 2.899 23.293 1.00 0.00 ? 7 DC A "C3'" 1 +ATOM 199 O "O3'" . DC A 1 7 ? -5.487 1.939 23.916 1.00 0.00 ? 7 DC A "O3'" 1 +ATOM 200 C "C2'" . DC A 1 7 ? -3.811 2.175 22.256 1.00 0.00 ? 7 DC A "C2'" 1 +ATOM 201 C "C1'" . DC A 1 7 ? -4.809 1.929 21.122 1.00 0.00 ? 7 DC A "C1'" 1 +ATOM 202 N N1 . DC A 1 7 ? -4.013 1.787 19.869 1.00 0.00 ? 7 DC A N1 1 +ATOM 203 C C2 . DC A 1 7 ? -3.688 0.465 19.566 1.00 0.00 ? 7 DC A C2 1 +ATOM 204 O O2 . DC A 1 7 ? -4.531 -0.421 19.628 1.00 0.00 ? 7 DC A O2 1 +ATOM 205 N N3 . DC A 1 7 ? -2.417 0.113 19.242 1.00 0.00 ? 7 DC A N3 1 +ATOM 206 C C4 . DC A 1 7 ? -1.512 1.067 19.153 1.00 0.00 ? 7 DC A C4 1 +ATOM 207 N N4 . DC A 1 7 ? -0.277 0.691 18.995 1.00 0.00 ? 7 DC A N4 1 +ATOM 208 C C5 . DC A 1 7 ? -1.819 2.441 19.318 1.00 0.00 ? 7 DC A C5 1 +ATOM 209 C C6 . DC A 1 7 ? -3.096 2.774 19.588 1.00 0.00 ? 7 DC A C6 1 +ATOM 210 H "H5'" . DC A 1 7 ? -5.410 5.710 21.350 1.00 0.00 ? 7 DC A "H5'" 1 +ATOM 211 H "H5''" . DC A 1 7 ? -4.906 5.801 23.044 1.00 0.00 ? 7 DC A "H5''" 1 +ATOM 212 H "H4'" . DC A 1 7 ? -6.442 4.102 22.852 1.00 0.00 ? 7 DC A "H4'" 1 +ATOM 213 H "H3'" . DC A 1 7 ? -4.028 3.450 24.002 1.00 0.00 ? 7 DC A "H3'" 1 +ATOM 214 H "H2'" . DC A 1 7 ? -3.026 2.868 22.001 1.00 0.00 ? 7 DC A "H2'" 1 +ATOM 215 H "H2''" . DC A 1 7 ? -3.270 1.280 22.523 1.00 0.00 ? 7 DC A "H2''" 1 +ATOM 216 H "H1'" . DC A 1 7 ? -5.377 0.994 21.348 1.00 0.00 ? 7 DC A "H1'" 1 +ATOM 217 H H41 . DC A 1 7 ? -0.135 -0.304 18.948 1.00 0.00 ? 7 DC A H41 1 +ATOM 218 H H42 . DC A 1 7 ? 0.460 1.350 19.195 1.00 0.00 ? 7 DC A H42 1 +ATOM 219 H H5 . DC A 1 7 ? -1.078 3.198 19.434 1.00 0.00 ? 7 DC A H5 1 +ATOM 220 H H6 . DC A 1 7 ? -3.308 3.828 19.733 1.00 0.00 ? 7 DC A H6 1 +ATOM 221 P P . DU A 1 8 ? -6.004 2.168 25.411 1.00 0.00 ? 8 DU A P 1 +ATOM 222 O OP1 . DU A 1 8 ? -7.071 1.191 25.710 1.00 0.00 ? 8 DU A OP1 1 +ATOM 223 O OP2 . DU A 1 8 ? -6.221 3.614 25.616 1.00 0.00 ? 8 DU A OP2 1 +ATOM 224 O "O5'" . DU A 1 8 ? -4.679 1.717 26.197 1.00 0.00 ? 8 DU A "O5'" 1 +ATOM 225 C "C5'" . DU A 1 8 ? -4.375 0.341 26.362 1.00 0.00 ? 8 DU A "C5'" 1 +ATOM 226 C "C4'" . DU A 1 8 ? -2.874 0.133 26.609 1.00 0.00 ? 8 DU A "C4'" 1 +ATOM 227 O "O4'" . DU A 1 8 ? -2.151 0.254 25.375 1.00 0.00 ? 8 DU A "O4'" 1 +ATOM 228 C "C3'" . DU A 1 8 ? -2.238 1.145 27.588 1.00 0.00 ? 8 DU A "C3'" 1 +ATOM 229 O "O3'" . DU A 1 8 ? -1.361 0.461 28.496 1.00 0.00 ? 8 DU A "O3'" 1 +ATOM 230 C "C2'" . DU A 1 8 ? -1.466 2.063 26.629 1.00 0.00 ? 8 DU A "C2'" 1 +ATOM 231 C "C1'" . DU A 1 8 ? -0.996 1.041 25.597 1.00 0.00 ? 8 DU A "C1'" 1 +ATOM 232 N N1 . DU A 1 8 ? -0.423 1.513 24.326 1.00 0.00 ? 8 DU A N1 1 +ATOM 233 C C2 . DU A 1 8 ? 0.290 0.554 23.606 1.00 0.00 ? 8 DU A C2 1 +ATOM 234 O O2 . DU A 1 8 ? 0.568 -0.559 24.024 1.00 0.00 ? 8 DU A O2 1 +ATOM 235 N N3 . DU A 1 8 ? 0.756 0.926 22.371 1.00 0.00 ? 8 DU A N3 1 +ATOM 236 C C4 . DU A 1 8 ? 0.611 2.169 21.809 1.00 0.00 ? 8 DU A C4 1 +ATOM 237 O O4 . DU A 1 8 ? 1.124 2.379 20.715 1.00 0.00 ? 8 DU A O4 1 +ATOM 238 C C5 . DU A 1 8 ? -0.135 3.121 22.607 1.00 0.00 ? 8 DU A C5 1 +ATOM 239 C C6 . DU A 1 8 ? -0.634 2.787 23.826 1.00 0.00 ? 8 DU A C6 1 +ATOM 240 H "H5'" . DU A 1 8 ? -4.643 -0.242 25.476 1.00 0.00 ? 8 DU A "H5'" 1 +ATOM 241 H "H5''" . DU A 1 8 ? -4.935 -0.045 27.215 1.00 0.00 ? 8 DU A "H5''" 1 +ATOM 242 H "H4'" . DU A 1 8 ? -2.712 -0.889 26.983 1.00 0.00 ? 8 DU A "H4'" 1 +ATOM 243 H "H3'" . DU A 1 8 ? -3.039 1.684 28.117 1.00 0.00 ? 8 DU A "H3'" 1 +ATOM 244 H "H2'" . DU A 1 8 ? -2.192 2.765 26.208 1.00 0.00 ? 8 DU A "H2'" 1 +ATOM 245 H "H2''" . DU A 1 8 ? -0.634 2.589 27.116 1.00 0.00 ? 8 DU A "H2''" 1 +ATOM 246 H "H1'" . DU A 1 8 ? -0.295 0.369 26.117 1.00 0.00 ? 8 DU A "H1'" 1 +ATOM 247 H H3 . DU A 1 8 ? 1.221 0.214 21.828 1.00 0.00 ? 8 DU A H3 1 +ATOM 248 H H5 . DU A 1 8 ? -0.292 4.112 22.211 1.00 0.00 ? 8 DU A H5 1 +ATOM 249 H H6 . DU A 1 8 ? -1.181 3.556 24.349 1.00 0.00 ? 8 DU A H6 1 +ATOM 250 P P . DT A 1 9 ? -1.015 1.336 29.818 1.00 0.00 ? 9 DT A P 1 +ATOM 251 O OP1 . DT A 1 9 ? -2.171 1.201 30.731 1.00 0.00 ? 9 DT A OP1 1 +ATOM 252 O OP2 . DT A 1 9 ? -0.568 2.692 29.431 1.00 0.00 ? 9 DT A OP2 1 +ATOM 253 O "O5'" . DT A 1 9 ? 0.224 0.539 30.483 1.00 0.00 ? 9 DT A "O5'" 1 +ATOM 254 C "C5'" . DT A 1 9 ? 1.577 0.701 30.071 1.00 0.00 ? 9 DT A "C5'" 1 +ATOM 255 C "C4'" . DT A 1 9 ? 1.867 0.312 28.605 1.00 0.00 ? 9 DT A "C4'" 1 +ATOM 256 O "O4'" . DT A 1 9 ? 1.424 1.354 27.751 1.00 0.00 ? 9 DT A "O4'" 1 +ATOM 257 C "C3'" . DT A 1 9 ? 3.382 0.141 28.344 1.00 0.00 ? 9 DT A "C3'" 1 +ATOM 258 O "O3'" . DT A 1 9 ? 3.718 -1.183 27.965 1.00 0.00 ? 9 DT A "O3'" 1 +ATOM 259 C "C2'" . DT A 1 9 ? 3.676 1.022 27.124 1.00 0.00 ? 9 DT A "C2'" 1 +ATOM 260 C "C1'" . DT A 1 9 ? 2.315 1.532 26.677 1.00 0.00 ? 9 DT A "C1'" 1 +ATOM 261 N N1 . DT A 1 9 ? 2.379 2.962 26.239 1.00 0.00 ? 9 DT A N1 1 +ATOM 262 C C2 . DT A 1 9 ? 2.282 3.935 27.241 1.00 0.00 ? 9 DT A C2 1 +ATOM 263 O O2 . DT A 1 9 ? 2.468 3.743 28.433 1.00 0.00 ? 9 DT A O2 1 +ATOM 264 N N3 . DT A 1 9 ? 2.060 5.222 26.831 1.00 0.00 ? 9 DT A N3 1 +ATOM 265 C C4 . DT A 1 9 ? 2.112 5.669 25.537 1.00 0.00 ? 9 DT A C4 1 +ATOM 266 O O4 . DT A 1 9 ? 1.901 6.857 25.334 1.00 0.00 ? 9 DT A O4 1 +ATOM 267 C C5 . DT A 1 9 ? 2.483 4.656 24.547 1.00 0.00 ? 9 DT A C5 1 +ATOM 268 C C7 . DT A 1 9 ? 2.728 5.049 23.087 1.00 0.00 ? 9 DT A C7 1 +ATOM 269 C C6 . DT A 1 9 ? 2.609 3.352 24.925 1.00 0.00 ? 9 DT A C6 1 +ATOM 270 H "H5'" . DT A 1 9 ? 2.162 0.044 30.716 1.00 0.00 ? 9 DT A "H5'" 1 +ATOM 271 H "H5''" . DT A 1 9 ? 1.907 1.725 30.259 1.00 0.00 ? 9 DT A "H5''" 1 +ATOM 272 H "H4'" . DT A 1 9 ? 1.328 -0.610 28.390 1.00 0.00 ? 9 DT A "H4'" 1 +ATOM 273 H "H3'" . DT A 1 9 ? 3.990 0.479 29.188 1.00 0.00 ? 9 DT A "H3'" 1 +ATOM 274 H "H2'" . DT A 1 9 ? 4.298 1.867 27.412 1.00 0.00 ? 9 DT A "H2'" 1 +ATOM 275 H "H2''" . DT A 1 9 ? 4.181 0.496 26.319 1.00 0.00 ? 9 DT A "H2''" 1 +ATOM 276 H "H1'" . DT A 1 9 ? 1.922 0.844 25.925 1.00 0.00 ? 9 DT A "H1'" 1 +ATOM 277 H H3 . DT A 1 9 ? 1.898 5.896 27.550 1.00 0.00 ? 9 DT A H3 1 +ATOM 278 H H71 . DT A 1 9 ? 1.857 5.585 22.701 1.00 0.00 ? 9 DT A H71 1 +ATOM 279 H H72 . DT A 1 9 ? 3.594 5.711 23.025 1.00 0.00 ? 9 DT A H72 1 +ATOM 280 H H73 . DT A 1 9 ? 2.906 4.188 22.440 1.00 0.00 ? 9 DT A H73 1 +ATOM 281 H H6 . DT A 1 9 ? 2.965 2.670 24.165 1.00 0.00 ? 9 DT A H6 1 +ATOM 282 P P . DT A 1 10 B 3.727 -2.381 29.032 1.00 0.00 ? 1 DT A P 1 +ATOM 283 O OP1 . DT A 1 10 B 2.346 -2.536 29.544 1.00 0.00 ? 1 DT A OP1 1 +ATOM 284 O OP2 . DT A 1 10 B 4.849 -2.144 29.964 1.00 0.00 ? 1 DT A OP2 1 +ATOM 285 O "O5'" . DT A 1 10 B 4.039 -3.684 28.148 1.00 0.00 ? 1 DT A "O5'" 1 +ATOM 286 C "C5'" . DT A 1 10 B 5.283 -3.913 27.508 1.00 0.00 ? 1 DT A "C5'" 1 +ATOM 287 C "C4'" . DT A 1 10 B 5.156 -5.165 26.616 1.00 0.00 ? 1 DT A "C4'" 1 +ATOM 288 O "O4'" . DT A 1 10 B 4.122 -4.929 25.664 1.00 0.00 ? 1 DT A "O4'" 1 +ATOM 289 C "C3'" . DT A 1 10 B 6.448 -5.452 25.818 1.00 0.00 ? 1 DT A "C3'" 1 +ATOM 290 O "O3'" . DT A 1 10 B 6.646 -6.795 25.423 1.00 0.00 ? 1 DT A "O3'" 1 +ATOM 291 C "C2'" . DT A 1 10 B 6.151 -4.707 24.524 1.00 0.00 ? 1 DT A "C2'" 1 +ATOM 292 C "C1'" . DT A 1 10 B 4.653 -4.998 24.363 1.00 0.00 ? 1 DT A "C1'" 1 +ATOM 293 N N1 . DT A 1 10 B 3.949 -3.994 23.526 1.00 0.00 ? 1 DT A N1 1 +ATOM 294 C C2 . DT A 1 10 B 3.163 -4.454 22.473 1.00 0.00 ? 1 DT A C2 1 +ATOM 295 O O2 . DT A 1 10 B 2.983 -5.637 22.222 1.00 0.00 ? 1 DT A O2 1 +ATOM 296 N N3 . DT A 1 10 B 2.555 -3.506 21.689 1.00 0.00 ? 1 DT A N3 1 +ATOM 297 C C4 . DT A 1 10 B 2.628 -2.142 21.875 1.00 0.00 ? 1 DT A C4 1 +ATOM 298 O O4 . DT A 1 10 B 1.984 -1.405 21.139 1.00 0.00 ? 1 DT A O4 1 +ATOM 299 C C5 . DT A 1 10 B 3.495 -1.713 22.974 1.00 0.00 ? 1 DT A C5 1 +ATOM 300 C C7 . DT A 1 10 B 3.766 -0.234 23.252 1.00 0.00 ? 1 DT A C7 1 +ATOM 301 C C6 . DT A 1 10 B 4.094 -2.643 23.762 1.00 0.00 ? 1 DT A C6 1 +ATOM 302 H "H5'" . DT A 1 10 B 6.060 -4.077 28.257 1.00 0.00 ? 1 DT A "H5'" 1 +ATOM 303 H "H5''" . DT A 1 10 B 5.555 -3.052 26.894 1.00 0.00 ? 1 DT A "H5''" 1 +ATOM 304 H "H4'" . DT A 1 10 B 4.890 -6.004 27.258 1.00 0.00 ? 1 DT A "H4'" 1 +ATOM 305 H "H3'" . DT A 1 10 B 7.342 -5.057 26.307 1.00 0.00 ? 1 DT A "H3'" 1 +ATOM 306 H "H2'" . DT A 1 10 B 6.388 -3.659 24.681 1.00 0.00 ? 1 DT A "H2'" 1 +ATOM 307 H "H2''" . DT A 1 10 B 6.723 -5.073 23.674 1.00 0.00 ? 1 DT A "H2''" 1 +ATOM 308 H "H1'" . DT A 1 10 B 4.539 -6.024 24.009 1.00 0.00 ? 1 DT A "H1'" 1 +ATOM 309 H H3 . DT A 1 10 B 1.977 -3.868 20.939 1.00 0.00 ? 1 DT A H3 1 +ATOM 310 H H71 . DT A 1 10 B 3.510 0.381 22.388 1.00 0.00 ? 1 DT A H71 1 +ATOM 311 H H72 . DT A 1 10 B 3.161 0.080 24.101 1.00 0.00 ? 1 DT A H72 1 +ATOM 312 H H73 . DT A 1 10 B 4.819 -0.069 23.487 1.00 0.00 ? 1 DT A H73 1 +ATOM 313 H H6 . DT A 1 10 B 4.695 -2.316 24.596 1.00 0.00 ? 1 DT A H6 1 +ATOM 314 P P . DT A 1 11 B 6.997 -7.956 26.472 1.00 0.00 ? 2 DT A P 1 +ATOM 315 O OP1 . DT A 1 11 B 7.705 -7.342 27.615 1.00 0.00 ? 2 DT A OP1 1 +ATOM 316 O OP2 . DT A 1 11 B 7.617 -9.073 25.729 1.00 0.00 ? 2 DT A OP2 1 +ATOM 317 O "O5'" . DT A 1 11 B 5.535 -8.418 26.948 1.00 0.00 ? 2 DT A "O5'" 1 +ATOM 318 C "C5'" . DT A 1 11 B 4.583 -8.909 26.017 1.00 0.00 ? 2 DT A "C5'" 1 +ATOM 319 C "C4'" . DT A 1 11 B 3.183 -8.961 26.649 1.00 0.00 ? 2 DT A "C4'" 1 +ATOM 320 O "O4'" . DT A 1 11 B 2.785 -7.652 27.051 1.00 0.00 ? 2 DT A "O4'" 1 +ATOM 321 C "C3'" . DT A 1 11 B 2.124 -9.458 25.647 1.00 0.00 ? 2 DT A "C3'" 1 +ATOM 322 O "O3'" . DT A 1 11 B 1.227 -10.383 26.230 1.00 0.00 ? 2 DT A "O3'" 1 +ATOM 323 C "C2'" . DT A 1 11 B 1.394 -8.168 25.321 1.00 0.00 ? 2 DT A "C2'" 1 +ATOM 324 C "C1'" . DT A 1 11 B 1.452 -7.423 26.650 1.00 0.00 ? 2 DT A "C1'" 1 +ATOM 325 N N1 . DT A 1 11 B 1.177 -5.959 26.578 1.00 0.00 ? 2 DT A N1 1 +ATOM 326 C C2 . DT A 1 11 B 1.287 -5.257 27.782 1.00 0.00 ? 2 DT A C2 1 +ATOM 327 O O2 . DT A 1 11 B 1.605 -5.775 28.844 1.00 0.00 ? 2 DT A O2 1 +ATOM 328 N N3 . DT A 1 11 B 0.934 -3.932 27.765 1.00 0.00 ? 2 DT A N3 1 +ATOM 329 C C4 . DT A 1 11 B 0.430 -3.245 26.687 1.00 0.00 ? 2 DT A C4 1 +ATOM 330 O O4 . DT A 1 11 B 0.097 -2.078 26.836 1.00 0.00 ? 2 DT A O4 1 +ATOM 331 C C5 . DT A 1 11 B 0.327 -4.026 25.450 1.00 0.00 ? 2 DT A C5 1 +ATOM 332 C C7 . DT A 1 11 B -0.289 -3.442 24.178 1.00 0.00 ? 2 DT A C7 1 +ATOM 333 C C6 . DT A 1 11 B 0.721 -5.326 25.433 1.00 0.00 ? 2 DT A C6 1 +ATOM 334 H "H5'" . DT A 1 11 B 4.876 -9.911 25.697 1.00 0.00 ? 2 DT A "H5'" 1 +ATOM 335 H "H5''" . DT A 1 11 B 4.528 -8.263 25.138 1.00 0.00 ? 2 DT A "H5''" 1 +ATOM 336 H "H4'" . DT A 1 11 B 3.212 -9.618 27.520 1.00 0.00 ? 2 DT A "H4'" 1 +ATOM 337 H "H3'" . DT A 1 11 B 2.593 -9.849 24.742 1.00 0.00 ? 2 DT A "H3'" 1 +ATOM 338 H "H2'" . DT A 1 11 B 1.959 -7.638 24.556 1.00 0.00 ? 2 DT A "H2'" 1 +ATOM 339 H "H2''" . DT A 1 11 B 0.369 -8.377 25.015 1.00 0.00 ? 2 DT A "H2''" 1 +ATOM 340 H "H1'" . DT A 1 11 B 0.769 -7.900 27.358 1.00 0.00 ? 2 DT A "H1'" 1 +ATOM 341 H H3 . DT A 1 11 B 1.257 -3.384 28.569 1.00 0.00 ? 2 DT A H3 1 +ATOM 342 H H71 . DT A 1 11 B -0.896 -4.180 23.651 1.00 0.00 ? 2 DT A H71 1 +ATOM 343 H H72 . DT A 1 11 B -0.934 -2.595 24.420 1.00 0.00 ? 2 DT A H72 1 +ATOM 344 H H73 . DT A 1 11 B 0.498 -3.092 23.512 1.00 0.00 ? 2 DT A H73 1 +ATOM 345 H H6 . DT A 1 11 B 0.673 -5.826 24.477 1.00 0.00 ? 2 DT A H6 1 +ATOM 346 P P . DG A 1 12 B 0.375 -11.408 25.323 1.00 0.00 ? 3 DG A P 1 +ATOM 347 O OP1 . DG A 1 12 B -0.478 -12.206 26.228 1.00 0.00 ? 3 DG A OP1 1 +ATOM 348 O OP2 . DG A 1 12 B 1.323 -12.093 24.418 1.00 0.00 ? 3 DG A OP2 1 +ATOM 349 O "O5'" . DG A 1 12 B -0.591 -10.470 24.428 1.00 0.00 ? 3 DG A "O5'" 1 +ATOM 350 C "C5'" . DG A 1 12 B -0.477 -10.400 23.011 1.00 0.00 ? 3 DG A "C5'" 1 +ATOM 351 C "C4'" . DG A 1 12 B -1.516 -9.419 22.421 1.00 0.00 ? 3 DG A "C4'" 1 +ATOM 352 O "O4'" . DG A 1 12 B -1.019 -8.072 22.359 1.00 0.00 ? 3 DG A "O4'" 1 +ATOM 353 C "C3'" . DG A 1 12 B -1.948 -9.785 20.980 1.00 0.00 ? 3 DG A "C3'" 1 +ATOM 354 O "O3'" . DG A 1 12 B -3.359 -9.704 20.884 1.00 0.00 ? 3 DG A "O3'" 1 +ATOM 355 C "C2'" . DG A 1 12 B -1.282 -8.677 20.172 1.00 0.00 ? 3 DG A "C2'" 1 +ATOM 356 C "C1'" . DG A 1 12 B -1.468 -7.518 21.132 1.00 0.00 ? 3 DG A "C1'" 1 +ATOM 357 N N9 . DG A 1 12 B -0.719 -6.320 20.697 1.00 0.00 ? 3 DG A N9 1 +ATOM 358 C C8 . DG A 1 12 B 0.592 -6.202 20.308 1.00 0.00 ? 3 DG A C8 1 +ATOM 359 N N7 . DG A 1 12 B 0.929 -5.006 19.902 1.00 0.00 ? 3 DG A N7 1 +ATOM 360 C C5 . DG A 1 12 B -0.267 -4.286 19.982 1.00 0.00 ? 3 DG A C5 1 +ATOM 361 C C6 . DG A 1 12 B -0.619 -2.953 19.580 1.00 0.00 ? 3 DG A C6 1 +ATOM 362 O O6 . DG A 1 12 B 0.082 -2.103 19.051 1.00 0.00 ? 3 DG A O6 1 +ATOM 363 N N1 . DG A 1 12 B -1.939 -2.617 19.812 1.00 0.00 ? 3 DG A N1 1 +ATOM 364 C C2 . DG A 1 12 B -2.855 -3.500 20.271 1.00 0.00 ? 3 DG A C2 1 +ATOM 365 N N2 . DG A 1 12 B -4.105 -3.160 20.146 1.00 0.00 ? 3 DG A N2 1 +ATOM 366 N N3 . DG A 1 12 B -2.589 -4.762 20.585 1.00 0.00 ? 3 DG A N3 1 +ATOM 367 C C4 . DG A 1 12 B -1.276 -5.092 20.450 1.00 0.00 ? 3 DG A C4 1 +ATOM 368 H "H5'" . DG A 1 12 B -0.670 -11.401 22.621 1.00 0.00 ? 3 DG A "H5'" 1 +ATOM 369 H "H5''" . DG A 1 12 B 0.527 -10.095 22.709 1.00 0.00 ? 3 DG A "H5''" 1 +ATOM 370 H "H4'" . DG A 1 12 B -2.395 -9.451 23.071 1.00 0.00 ? 3 DG A "H4'" 1 +ATOM 371 H "H3'" . DG A 1 12 B -1.596 -10.773 20.673 1.00 0.00 ? 3 DG A "H3'" 1 +ATOM 372 H "H2'" . DG A 1 12 B -0.226 -8.907 20.050 1.00 0.00 ? 3 DG A "H2'" 1 +ATOM 373 H "H2''" . DG A 1 12 B -1.733 -8.491 19.199 1.00 0.00 ? 3 DG A "H2''" 1 +ATOM 374 H "H1'" . DG A 1 12 B -2.530 -7.281 21.202 1.00 0.00 ? 3 DG A "H1'" 1 +ATOM 375 H H8 . DG A 1 12 B 1.286 -7.029 20.305 1.00 0.00 ? 3 DG A H8 1 +ATOM 376 H H1 . DG A 1 12 B -2.219 -1.681 19.547 1.00 0.00 ? 3 DG A H1 1 +ATOM 377 H H21 . DG A 1 12 B -4.354 -2.247 19.793 1.00 0.00 ? 3 DG A H21 1 +ATOM 378 H H22 . DG A 1 12 B -4.734 -3.947 20.155 1.00 0.00 ? 3 DG A H22 1 +ATOM 379 P P . DG A 1 13 B -4.145 -10.005 19.515 1.00 0.00 ? 4 DG A P 1 +ATOM 380 O OP1 . DG A 1 13 B -5.368 -10.761 19.856 1.00 0.00 ? 4 DG A OP1 1 +ATOM 381 O OP2 . DG A 1 13 B -3.182 -10.564 18.542 1.00 0.00 ? 4 DG A OP2 1 +ATOM 382 O "O5'" . DG A 1 13 B -4.582 -8.531 19.016 1.00 0.00 ? 4 DG A "O5'" 1 +ATOM 383 C "C5'" . DG A 1 13 B -5.564 -7.777 19.716 1.00 0.00 ? 4 DG A "C5'" 1 +ATOM 384 C "C4'" . DG A 1 13 B -6.086 -6.572 18.907 1.00 0.00 ? 4 DG A "C4'" 1 +ATOM 385 O "O4'" . DG A 1 13 B -5.130 -5.513 18.827 1.00 0.00 ? 4 DG A "O4'" 1 +ATOM 386 C "C3'" . DG A 1 13 B -6.481 -6.952 17.466 1.00 0.00 ? 4 DG A "C3'" 1 +ATOM 387 O "O3'" . DG A 1 13 B -7.723 -6.361 17.132 1.00 0.00 ? 4 DG A "O3'" 1 +ATOM 388 C "C2'" . DG A 1 13 B -5.341 -6.307 16.689 1.00 0.00 ? 4 DG A "C2'" 1 +ATOM 389 C "C1'" . DG A 1 13 B -5.119 -5.030 17.494 1.00 0.00 ? 4 DG A "C1'" 1 +ATOM 390 N N9 . DG A 1 13 B -3.816 -4.409 17.181 1.00 0.00 ? 4 DG A N9 1 +ATOM 391 C C8 . DG A 1 13 B -2.597 -5.024 17.082 1.00 0.00 ? 4 DG A C8 1 +ATOM 392 N N7 . DG A 1 13 B -1.614 -4.228 16.768 1.00 0.00 ? 4 DG A N7 1 +ATOM 393 C C5 . DG A 1 13 B -2.233 -2.980 16.635 1.00 0.00 ? 4 DG A C5 1 +ATOM 394 C C6 . DG A 1 13 B -1.718 -1.681 16.296 1.00 0.00 ? 4 DG A C6 1 +ATOM 395 O O6 . DG A 1 13 B -0.573 -1.360 16.006 1.00 0.00 ? 4 DG A O6 1 +ATOM 396 N N1 . DG A 1 13 B -2.664 -0.675 16.280 1.00 0.00 ? 4 DG A N1 1 +ATOM 397 C C2 . DG A 1 13 B -3.971 -0.894 16.551 1.00 0.00 ? 4 DG A C2 1 +ATOM 398 N N2 . DG A 1 13 B -4.754 0.146 16.466 1.00 0.00 ? 4 DG A N2 1 +ATOM 399 N N3 . DG A 1 13 B -4.502 -2.082 16.834 1.00 0.00 ? 4 DG A N3 1 +ATOM 400 C C4 . DG A 1 13 B -3.584 -3.089 16.872 1.00 0.00 ? 4 DG A C4 1 +ATOM 401 H "H5'" . DG A 1 13 B -5.157 -7.428 20.667 1.00 0.00 ? 4 DG A "H5'" 1 +ATOM 402 H "H5''" . DG A 1 13 B -6.430 -8.409 19.925 1.00 0.00 ? 4 DG A "H5''" 1 +ATOM 403 H "H4'" . DG A 1 13 B -6.962 -6.190 19.436 1.00 0.00 ? 4 DG A "H4'" 1 +ATOM 404 H "H3'" . DG A 1 13 B -6.516 -8.035 17.327 1.00 0.00 ? 4 DG A "H3'" 1 +ATOM 405 H "H2'" . DG A 1 13 B -4.481 -6.971 16.748 1.00 0.00 ? 4 DG A "H2'" 1 +ATOM 406 H "H2''" . DG A 1 13 B -5.565 -6.122 15.646 1.00 0.00 ? 4 DG A "H2''" 1 +ATOM 407 H "H1'" . DG A 1 13 B -5.945 -4.335 17.330 1.00 0.00 ? 4 DG A "H1'" 1 +ATOM 408 H H8 . DG A 1 13 B -2.470 -6.085 17.237 1.00 0.00 ? 4 DG A H8 1 +ATOM 409 H H1 . DG A 1 13 B -2.333 0.272 16.133 1.00 0.00 ? 4 DG A H1 1 +ATOM 410 H H21 . DG A 1 13 B -4.377 1.066 16.288 1.00 0.00 ? 4 DG A H21 1 +ATOM 411 H H22 . DG A 1 13 B -5.723 -0.032 16.655 1.00 0.00 ? 4 DG A H22 1 +ATOM 412 P P . DA A 1 14 B -8.450 -6.655 15.728 1.00 0.00 ? 5 DA A P 1 +ATOM 413 O OP1 . DA A 1 14 B -9.880 -6.912 16.002 1.00 0.00 ? 5 DA A OP1 1 +ATOM 414 O OP2 . DA A 1 14 B -7.652 -7.646 14.976 1.00 0.00 ? 5 DA A OP2 1 +ATOM 415 O "O5'" . DA A 1 14 B -8.328 -5.238 14.975 1.00 0.00 ? 5 DA A "O5'" 1 +ATOM 416 C "C5'" . DA A 1 14 B -9.111 -4.129 15.386 1.00 0.00 ? 5 DA A "C5'" 1 +ATOM 417 C "C4'" . DA A 1 14 B -8.869 -2.895 14.504 1.00 0.00 ? 5 DA A "C4'" 1 +ATOM 418 O "O4'" . DA A 1 14 B -7.547 -2.392 14.674 1.00 0.00 ? 5 DA A "O4'" 1 +ATOM 419 C "C3'" . DA A 1 14 B -9.085 -3.155 12.998 1.00 0.00 ? 5 DA A "C3'" 1 +ATOM 420 O "O3'" . DA A 1 14 B -9.874 -2.122 12.437 1.00 0.00 ? 5 DA A "O3'" 1 +ATOM 421 C "C2'" . DA A 1 14 B -7.648 -3.106 12.485 1.00 0.00 ? 5 DA A "C2'" 1 +ATOM 422 C "C1'" . DA A 1 14 B -7.048 -2.041 13.401 1.00 0.00 ? 5 DA A "C1'" 1 +ATOM 423 N N9 . DA A 1 14 B -5.573 -2.099 13.433 1.00 0.00 ? 5 DA A N9 1 +ATOM 424 C C8 . DA A 1 14 B -4.743 -3.164 13.695 1.00 0.00 ? 5 DA A C8 1 +ATOM 425 N N7 . DA A 1 14 B -3.470 -2.887 13.611 1.00 0.00 ? 5 DA A N7 1 +ATOM 426 C C5 . DA A 1 14 B -3.461 -1.525 13.293 1.00 0.00 ? 5 DA A C5 1 +ATOM 427 C C6 . DA A 1 14 B -2.461 -0.556 13.054 1.00 0.00 ? 5 DA A C6 1 +ATOM 428 N N6 . DA A 1 14 B -1.165 -0.792 13.081 1.00 0.00 ? 5 DA A N6 1 +ATOM 429 N N1 . DA A 1 14 B -2.782 0.709 12.763 1.00 0.00 ? 5 DA A N1 1 +ATOM 430 C C2 . DA A 1 14 B -4.067 1.041 12.738 1.00 0.00 ? 5 DA A C2 1 +ATOM 431 N N3 . DA A 1 14 B -5.107 0.242 12.935 1.00 0.00 ? 5 DA A N3 1 +ATOM 432 C C4 . DA A 1 14 B -4.737 -1.038 13.207 1.00 0.00 ? 5 DA A C4 1 +ATOM 433 H "H5'" . DA A 1 14 B -8.880 -3.871 16.422 1.00 0.00 ? 5 DA A "H5'" 1 +ATOM 434 H "H5''" . DA A 1 14 B -10.171 -4.383 15.319 1.00 0.00 ? 5 DA A "H5''" 1 +ATOM 435 H "H4'" . DA A 1 14 B -9.563 -2.120 14.837 1.00 0.00 ? 5 DA A "H4'" 1 +ATOM 436 H "H3'" . DA A 1 14 B -9.548 -4.134 12.831 1.00 0.00 ? 5 DA A "H3'" 1 +ATOM 437 H "H2'" . DA A 1 14 B -7.196 -4.084 12.647 1.00 0.00 ? 5 DA A "H2'" 1 +ATOM 438 H "H2''" . DA A 1 14 B -7.577 -2.836 11.432 1.00 0.00 ? 5 DA A "H2''" 1 +ATOM 439 H "H1'" . DA A 1 14 B -7.413 -1.046 13.122 1.00 0.00 ? 5 DA A "H1'" 1 +ATOM 440 H H8 . DA A 1 14 B -5.090 -4.157 13.939 1.00 0.00 ? 5 DA A H8 1 +ATOM 441 H H61 . DA A 1 14 B -0.542 -0.019 12.896 1.00 0.00 ? 5 DA A H61 1 +ATOM 442 H H62 . DA A 1 14 B -0.833 -1.694 13.381 1.00 0.00 ? 5 DA A H62 1 +ATOM 443 H H2 . DA A 1 14 B -4.301 2.065 12.500 1.00 0.00 ? 5 DA A H2 1 +ATOM 444 P P . DT A 1 15 B -10.374 -2.172 10.908 1.00 0.00 ? 6 DT A P 1 +ATOM 445 O OP1 . DT A 1 15 B -11.722 -1.568 10.854 1.00 0.00 ? 6 DT A OP1 1 +ATOM 446 O OP2 . DT A 1 15 B -10.155 -3.538 10.387 1.00 0.00 ? 6 DT A OP2 1 +ATOM 447 O "O5'" . DT A 1 15 B -9.343 -1.179 10.173 1.00 0.00 ? 6 DT A "O5'" 1 +ATOM 448 C "C5'" . DT A 1 15 B -9.450 0.227 10.330 1.00 0.00 ? 6 DT A "C5'" 1 +ATOM 449 C "C4'" . DT A 1 15 B -8.252 0.966 9.713 1.00 0.00 ? 6 DT A "C4'" 1 +ATOM 450 O "O4'" . DT A 1 15 B -7.028 0.538 10.290 1.00 0.00 ? 6 DT A "O4'" 1 +ATOM 451 C "C3'" . DT A 1 15 B -8.087 0.777 8.193 1.00 0.00 ? 6 DT A "C3'" 1 +ATOM 452 O "O3'" . DT A 1 15 B -8.656 1.871 7.501 1.00 0.00 ? 6 DT A "O3'" 1 +ATOM 453 C "C2'" . DT A 1 15 B -6.560 0.761 8.024 1.00 0.00 ? 6 DT A "C2'" 1 +ATOM 454 C "C1'" . DT A 1 15 B -6.028 1.006 9.422 1.00 0.00 ? 6 DT A "C1'" 1 +ATOM 455 N N1 . DT A 1 15 B -4.730 0.324 9.594 1.00 0.00 ? 6 DT A N1 1 +ATOM 456 C C2 . DT A 1 15 B -3.595 1.085 9.352 1.00 0.00 ? 6 DT A C2 1 +ATOM 457 O O2 . DT A 1 15 B -3.614 2.266 9.044 1.00 0.00 ? 6 DT A O2 1 +ATOM 458 N N3 . DT A 1 15 B -2.399 0.439 9.436 1.00 0.00 ? 6 DT A N3 1 +ATOM 459 C C4 . DT A 1 15 B -2.211 -0.888 9.707 1.00 0.00 ? 6 DT A C4 1 +ATOM 460 O O4 . DT A 1 15 B -1.058 -1.299 9.752 1.00 0.00 ? 6 DT A O4 1 +ATOM 461 C C5 . DT A 1 15 B -3.443 -1.661 9.898 1.00 0.00 ? 6 DT A C5 1 +ATOM 462 C C7 . DT A 1 15 B -3.399 -3.166 10.164 1.00 0.00 ? 6 DT A C7 1 +ATOM 463 C C6 . DT A 1 15 B -4.650 -1.032 9.829 1.00 0.00 ? 6 DT A C6 1 +ATOM 464 H "H5'" . DT A 1 15 B -9.487 0.482 11.392 1.00 0.00 ? 6 DT A "H5'" 1 +ATOM 465 H "H5''" . DT A 1 15 B -10.365 0.584 9.854 1.00 0.00 ? 6 DT A "H5''" 1 +ATOM 466 H "H4'" . DT A 1 15 B -8.370 2.031 9.928 1.00 0.00 ? 6 DT A "H4'" 1 +ATOM 467 H "H3'" . DT A 1 15 B -8.521 -0.180 7.889 1.00 0.00 ? 6 DT A "H3'" 1 +ATOM 468 H "H2'" . DT A 1 15 B -6.270 -0.218 7.642 1.00 0.00 ? 6 DT A "H2'" 1 +ATOM 469 H "H2''" . DT A 1 15 B -6.125 1.542 7.403 1.00 0.00 ? 6 DT A "H2''" 1 +ATOM 470 H "H1'" . DT A 1 15 B -5.955 2.087 9.565 1.00 0.00 ? 6 DT A "H1'" 1 +ATOM 471 H H3 . DT A 1 15 B -1.586 1.017 9.282 1.00 0.00 ? 6 DT A H3 1 +ATOM 472 H H71 . DT A 1 15 B -2.552 -3.409 10.811 1.00 0.00 ? 6 DT A H71 1 +ATOM 473 H H72 . DT A 1 15 B -4.307 -3.516 10.660 1.00 0.00 ? 6 DT A H72 1 +ATOM 474 H H73 . DT A 1 15 B -3.285 -3.704 9.222 1.00 0.00 ? 6 DT A H73 1 +ATOM 475 H H6 . DT A 1 15 B -5.573 -1.590 9.934 1.00 0.00 ? 6 DT A H6 1 +ATOM 476 P P . DC A 1 16 B -9.016 1.778 5.936 1.00 0.00 ? 7 DC A P 1 +ATOM 477 O OP1 . DC A 1 16 B -10.347 1.145 5.832 1.00 0.00 ? 7 DC A OP1 1 +ATOM 478 O OP2 . DC A 1 16 B -7.877 1.171 5.218 1.00 0.00 ? 7 DC A OP2 1 +ATOM 479 O "O5'" . DC A 1 16 B -9.175 3.313 5.446 1.00 0.00 ? 7 DC A "O5'" 1 +ATOM 480 C "C5'" . DC A 1 16 B -8.463 4.401 6.021 1.00 0.00 ? 7 DC A "C5'" 1 +ATOM 481 C "C4'" . DC A 1 16 B -6.957 4.485 5.709 1.00 0.00 ? 7 DC A "C4'" 1 +ATOM 482 O "O4'" . DC A 1 16 B -6.224 3.414 6.273 1.00 0.00 ? 7 DC A "O4'" 1 +ATOM 483 C "C3'" . DC A 1 16 B -6.594 4.473 4.218 1.00 0.00 ? 7 DC A "C3'" 1 +ATOM 484 O "O3'" . DC A 1 16 B -6.433 5.803 3.766 1.00 0.00 ? 7 DC A "O3'" 1 +ATOM 485 C "C2'" . DC A 1 16 B -5.263 3.710 4.228 1.00 0.00 ? 7 DC A "C2'" 1 +ATOM 486 C "C1'" . DC A 1 16 B -4.945 3.442 5.697 1.00 0.00 ? 7 DC A "C1'" 1 +ATOM 487 N N1 . DC A 1 16 B -4.081 2.254 5.834 1.00 0.00 ? 7 DC A N1 1 +ATOM 488 C C2 . DC A 1 16 B -2.726 2.387 6.148 1.00 0.00 ? 7 DC A C2 1 +ATOM 489 O O2 . DC A 1 16 B -2.184 3.484 6.222 1.00 0.00 ? 7 DC A O2 1 +ATOM 490 N N3 . DC A 1 16 B -1.961 1.278 6.337 1.00 0.00 ? 7 DC A N3 1 +ATOM 491 C C4 . DC A 1 16 B -2.531 0.092 6.194 1.00 0.00 ? 7 DC A C4 1 +ATOM 492 N N4 . DC A 1 16 B -1.775 -0.945 6.418 1.00 0.00 ? 7 DC A N4 1 +ATOM 493 C C5 . DC A 1 16 B -3.857 -0.085 5.708 1.00 0.00 ? 7 DC A C5 1 +ATOM 494 C C6 . DC A 1 16 B -4.585 1.035 5.524 1.00 0.00 ? 7 DC A C6 1 +ATOM 495 H "H5'" . DC A 1 16 B -8.611 4.424 7.103 1.00 0.00 ? 7 DC A "H5'" 1 +ATOM 496 H "H5''" . DC A 1 16 B -8.918 5.307 5.618 1.00 0.00 ? 7 DC A "H5''" 1 +ATOM 497 H "H4'" . DC A 1 16 B -6.584 5.407 6.161 1.00 0.00 ? 7 DC A "H4'" 1 +ATOM 498 H "H3'" . DC A 1 16 B -7.352 3.934 3.643 1.00 0.00 ? 7 DC A "H3'" 1 +ATOM 499 H "H2'" . DC A 1 16 B -5.436 2.791 3.670 1.00 0.00 ? 7 DC A "H2'" 1 +ATOM 500 H "H2''" . DC A 1 16 B -4.427 4.184 3.764 1.00 0.00 ? 7 DC A "H2''" 1 +ATOM 501 H "H1'" . DC A 1 16 B -4.508 4.231 6.280 1.00 0.00 ? 7 DC A "H1'" 1 +ATOM 502 H H41 . DC A 1 16 B -0.825 -0.713 6.667 1.00 0.00 ? 7 DC A H41 1 +ATOM 503 H H42 . DC A 1 16 B -2.122 -1.879 6.321 1.00 0.00 ? 7 DC A H42 1 +ATOM 504 H H5 . DC A 1 16 B -4.319 -1.030 5.499 1.00 0.00 ? 7 DC A H5 1 +ATOM 505 H H6 . DC A 1 16 B -5.582 1.025 5.131 1.00 0.00 ? 7 DC A H6 1 +ATOM 506 P P . DC A 1 17 B -6.045 6.143 2.246 1.00 0.00 ? 8 DC A P 1 +ATOM 507 O OP1 . DC A 1 17 B -6.501 7.519 1.955 1.00 0.00 ? 8 DC A OP1 1 +ATOM 508 O OP2 . DC A 1 17 B -6.483 5.022 1.387 1.00 0.00 ? 8 DC A OP2 1 +ATOM 509 O "O5'" . DC A 1 17 B -4.436 6.149 2.278 1.00 0.00 ? 8 DC A "O5'" 1 +ATOM 510 C "C5'" . DC A 1 17 B -3.712 7.117 3.022 1.00 0.00 ? 8 DC A "C5'" 1 +ATOM 511 C "C4'" . DC A 1 17 B -2.195 6.959 2.813 1.00 0.00 ? 8 DC A "C4'" 1 +ATOM 512 O "O4'" . DC A 1 17 B -1.713 5.757 3.422 1.00 0.00 ? 8 DC A "O4'" 1 +ATOM 513 C "C3'" . DC A 1 17 B -1.827 6.911 1.316 1.00 0.00 ? 8 DC A "C3'" 1 +ATOM 514 O "O3'" . DC A 1 17 B -0.684 7.702 1.053 1.00 0.00 ? 8 DC A "O3'" 1 +ATOM 515 C "C2'" . DC A 1 17 B -1.534 5.424 1.170 1.00 0.00 ? 8 DC A "C2'" 1 +ATOM 516 C "C1'" . DC A 1 17 B -0.857 5.118 2.499 1.00 0.00 ? 8 DC A "C1'" 1 +ATOM 517 N N1 . DC A 1 17 B -0.831 3.644 2.745 1.00 0.00 ? 8 DC A N1 1 +ATOM 518 C C2 . DC A 1 17 B 0.409 3.037 2.946 1.00 0.00 ? 8 DC A C2 1 +ATOM 519 O O2 . DC A 1 17 B 1.451 3.669 2.852 1.00 0.00 ? 8 DC A O2 1 +ATOM 520 N N3 . DC A 1 17 B 0.497 1.712 3.243 1.00 0.00 ? 8 DC A N3 1 +ATOM 521 C C4 . DC A 1 17 B -0.621 1.019 3.353 1.00 0.00 ? 8 DC A C4 1 +ATOM 522 N N4 . DC A 1 17 B -0.492 -0.247 3.632 1.00 0.00 ? 8 DC A N4 1 +ATOM 523 C C5 . DC A 1 17 B -1.905 1.549 3.052 1.00 0.00 ? 8 DC A C5 1 +ATOM 524 C C6 . DC A 1 17 B -1.975 2.868 2.756 1.00 0.00 ? 8 DC A C6 1 +ATOM 525 H "H5'" . DC A 1 17 B -3.937 7.024 4.087 1.00 0.00 ? 8 DC A "H5'" 1 +ATOM 526 H "H5''" . DC A 1 17 B -3.994 8.119 2.693 1.00 0.00 ? 8 DC A "H5''" 1 +ATOM 527 H "H4'" . DC A 1 17 B -1.699 7.808 3.286 1.00 0.00 ? 8 DC A "H4'" 1 +ATOM 528 H "H3'" . DC A 1 17 B -2.661 7.227 0.682 1.00 0.00 ? 8 DC A "H3'" 1 +ATOM 529 H "H2'" . DC A 1 17 B -2.482 4.920 1.014 1.00 0.00 ? 8 DC A "H2'" 1 +ATOM 530 H "H2''" . DC A 1 17 B -0.898 5.152 0.355 1.00 0.00 ? 8 DC A "H2''" 1 +ATOM 531 H "H1'" . DC A 1 17 B 0.133 5.631 2.534 1.00 0.00 ? 8 DC A "H1'" 1 +ATOM 532 H H41 . DC A 1 17 B 0.439 -0.565 3.845 1.00 0.00 ? 8 DC A H41 1 +ATOM 533 H H42 . DC A 1 17 B -1.300 -0.833 3.693 1.00 0.00 ? 8 DC A H42 1 +ATOM 534 H H5 . DC A 1 17 B -2.797 0.944 3.049 1.00 0.00 ? 8 DC A H5 1 +ATOM 535 H H6 . DC A 1 17 B -2.961 3.256 2.513 1.00 0.00 ? 8 DC A H6 1 +ATOM 536 P P . DT A 1 18 B -0.062 7.812 -0.425 1.00 0.00 ? 9 DT A P 1 +ATOM 537 O OP1 . DT A 1 18 B 0.630 9.111 -0.554 1.00 0.00 ? 9 DT A OP1 1 +ATOM 538 O OP2 . DT A 1 18 B -1.103 7.433 -1.406 1.00 0.00 ? 9 DT A OP2 1 +ATOM 539 O "O5'" . DT A 1 18 B 1.052 6.656 -0.417 1.00 0.00 ? 9 DT A "O5'" 1 +ATOM 540 C "C5'" . DT A 1 18 B 1.365 5.921 -1.587 1.00 0.00 ? 9 DT A "C5'" 1 +ATOM 541 C "C4'" . DT A 1 18 B 2.604 5.045 -1.336 1.00 0.00 ? 9 DT A "C4'" 1 +ATOM 542 O "O4'" . DT A 1 18 B 2.309 4.008 -0.394 1.00 0.00 ? 9 DT A "O4'" 1 +ATOM 543 C "C3'" . DT A 1 18 B 3.056 4.336 -2.623 1.00 0.00 ? 9 DT A "C3'" 1 +ATOM 544 O "O3'" . DT A 1 18 B 4.457 4.165 -2.676 1.00 0.00 ? 9 DT A "O3'" 1 +ATOM 545 C "C2'" . DT A 1 18 B 2.397 2.975 -2.501 1.00 0.00 ? 9 DT A "C2'" 1 +ATOM 546 C "C1'" . DT A 1 18 B 2.469 2.736 -1.002 1.00 0.00 ? 9 DT A "C1'" 1 +ATOM 547 N N1 . DT A 1 18 B 1.415 1.809 -0.521 1.00 0.00 ? 9 DT A N1 1 +ATOM 548 C C2 . DT A 1 18 B 1.818 0.653 0.141 1.00 0.00 ? 9 DT A C2 1 +ATOM 549 O O2 . DT A 1 18 B 2.981 0.333 0.340 1.00 0.00 ? 9 DT A O2 1 +ATOM 550 N N3 . DT A 1 18 B 0.829 -0.195 0.546 1.00 0.00 ? 9 DT A N3 1 +ATOM 551 C C4 . DT A 1 18 B -0.513 -0.043 0.339 1.00 0.00 ? 9 DT A C4 1 +ATOM 552 O O4 . DT A 1 18 B -1.248 -0.954 0.703 1.00 0.00 ? 9 DT A O4 1 +ATOM 553 C C5 . DT A 1 18 B -0.893 1.212 -0.317 1.00 0.00 ? 9 DT A C5 1 +ATOM 554 C C7 . DT A 1 18 B -2.357 1.567 -0.577 1.00 0.00 ? 9 DT A C7 1 +ATOM 555 C C6 . DT A 1 18 B 0.076 2.079 -0.723 1.00 0.00 ? 9 DT A C6 1 +ATOM 556 H "H5'" . DT A 1 18 B 1.594 6.617 -2.397 1.00 0.00 ? 9 DT A "H5'" 1 +ATOM 557 H "H5''" . DT A 1 18 B 0.519 5.299 -1.884 1.00 0.00 ? 9 DT A "H5''" 1 +ATOM 558 H "H4'" . DT A 1 18 B 3.387 5.721 -0.972 1.00 0.00 ? 9 DT A "H4'" 1 +ATOM 559 H "H3'" . DT A 1 18 B 2.692 4.846 -3.516 1.00 0.00 ? 9 DT A "H3'" 1 +ATOM 560 H "H2'" . DT A 1 18 B 1.404 3.046 -2.891 1.00 0.00 ? 9 DT A "H2'" 1 +ATOM 561 H "H2''" . DT A 1 18 B 2.897 2.185 -3.043 1.00 0.00 ? 9 DT A "H2''" 1 +ATOM 562 H "H1'" . DT A 1 18 B 3.465 2.343 -0.825 1.00 0.00 ? 9 DT A "H1'" 1 +ATOM 563 H H3 . DT A 1 18 B 1.130 -1.082 0.917 1.00 0.00 ? 9 DT A H3 1 +ATOM 564 H H71 . DT A 1 18 B -2.546 2.620 -0.353 1.00 0.00 ? 9 DT A H71 1 +ATOM 565 H H72 . DT A 1 18 B -2.605 1.382 -1.623 1.00 0.00 ? 9 DT A H72 1 +ATOM 566 H H73 . DT A 1 18 B -3.021 0.967 0.050 1.00 0.00 ? 9 DT A H73 1 +ATOM 567 H H6 . DT A 1 18 B -0.192 2.987 -1.241 1.00 0.00 ? 9 DT A H6 1 +ATOM 568 O "O5'" . DA A 1 1 ? 9.446 -8.322 1.641 1.00 0.00 ? 1 DA A "O5'" 2 +ATOM 569 C "C5'" . DA A 1 1 ? 8.089 -8.073 1.319 1.00 0.00 ? 1 DA A "C5'" 2 +ATOM 570 C "C4'" . DA A 1 1 ? 7.618 -6.753 1.939 1.00 0.00 ? 1 DA A "C4'" 2 +ATOM 571 O "O4'" . DA A 1 1 ? 6.251 -6.472 1.653 1.00 0.00 ? 1 DA A "O4'" 2 +ATOM 572 C "C3'" . DA A 1 1 ? 7.753 -6.717 3.479 1.00 0.00 ? 1 DA A "C3'" 2 +ATOM 573 O "O3'" . DA A 1 1 ? 8.427 -5.567 3.934 1.00 0.00 ? 1 DA A "O3'" 2 +ATOM 574 C "C2'" . DA A 1 1 ? 6.302 -6.591 3.907 1.00 0.00 ? 1 DA A "C2'" 2 +ATOM 575 C "C1'" . DA A 1 1 ? 5.794 -5.726 2.762 1.00 0.00 ? 1 DA A "C1'" 2 +ATOM 576 N N9 . DA A 1 1 ? 4.337 -5.546 2.774 1.00 0.00 ? 1 DA A N9 2 +ATOM 577 C C8 . DA A 1 1 ? 3.391 -6.127 3.577 1.00 0.00 ? 1 DA A C8 2 +ATOM 578 N N7 . DA A 1 1 ? 2.183 -5.658 3.406 1.00 0.00 ? 1 DA A N7 2 +ATOM 579 C C5 . DA A 1 1 ? 2.361 -4.672 2.424 1.00 0.00 ? 1 DA A C5 2 +ATOM 580 C C6 . DA A 1 1 ? 1.533 -3.734 1.765 1.00 0.00 ? 1 DA A C6 2 +ATOM 581 N N6 . DA A 1 1 ? 0.244 -3.557 1.984 1.00 0.00 ? 1 DA A N6 2 +ATOM 582 N N1 . DA A 1 1 ? 2.025 -2.918 0.828 1.00 0.00 ? 1 DA A N1 2 +ATOM 583 C C2 . DA A 1 1 ? 3.319 -2.990 0.542 1.00 0.00 ? 1 DA A C2 2 +ATOM 584 N N3 . DA A 1 1 ? 4.217 -3.800 1.084 1.00 0.00 ? 1 DA A N3 2 +ATOM 585 C C4 . DA A 1 1 ? 3.672 -4.614 2.030 1.00 0.00 ? 1 DA A C4 2 +ATOM 586 H "H5'" . DA A 1 1 ? 7.478 -8.898 1.687 1.00 0.00 ? 1 DA A "H5'" 2 +ATOM 587 H "H5''" . DA A 1 1 ? 7.989 -8.016 0.234 1.00 0.00 ? 1 DA A "H5''" 2 +ATOM 588 H "H4'" . DA A 1 1 ? 8.202 -5.944 1.493 1.00 0.00 ? 1 DA A "H4'" 2 +ATOM 589 H "H3'" . DA A 1 1 ? 8.148 -7.634 3.916 1.00 0.00 ? 1 DA A "H3'" 2 +ATOM 590 H "H2'" . DA A 1 1 ? 5.833 -7.576 3.897 1.00 0.00 ? 1 DA A "H2'" 2 +ATOM 591 H "H2''" . DA A 1 1 ? 6.190 -6.128 4.888 1.00 0.00 ? 1 DA A "H2''" 2 +ATOM 592 H "H1'" . DA A 1 1 ? 6.274 -4.746 2.760 1.00 0.00 ? 1 DA A "H1'" 2 +ATOM 593 H H8 . DA A 1 1 ? 3.637 -6.904 4.289 1.00 0.00 ? 1 DA A H8 2 +ATOM 594 H H61 . DA A 1 1 ? -0.199 -2.804 1.473 1.00 0.00 ? 1 DA A H61 2 +ATOM 595 H H62 . DA A 1 1 ? -0.204 -4.069 2.723 1.00 0.00 ? 1 DA A H62 2 +ATOM 596 H H2 . DA A 1 1 ? 3.679 -2.323 -0.225 1.00 0.00 ? 1 DA A H2 2 +ATOM 597 H "HO5'" . DA A 1 1 ? 9.884 -7.480 1.869 1.00 0.00 ? 1 DA A "HO5'" 2 +ATOM 598 P P . DG A 1 2 ? 10.020 -5.464 3.856 1.00 0.00 ? 2 DG A P 2 +ATOM 599 O OP1 . DG A 1 2 ? 10.442 -6.061 2.566 1.00 0.00 ? 2 DG A OP1 2 +ATOM 600 O OP2 . DG A 1 2 ? 10.568 -5.986 5.122 1.00 0.00 ? 2 DG A OP2 2 +ATOM 601 O "O5'" . DG A 1 2 ? 10.214 -3.866 3.804 1.00 0.00 ? 2 DG A "O5'" 2 +ATOM 602 C "C5'" . DG A 1 2 ? 10.371 -3.154 2.587 1.00 0.00 ? 2 DG A "C5'" 2 +ATOM 603 C "C4'" . DG A 1 2 ? 9.867 -1.698 2.692 1.00 0.00 ? 2 DG A "C4'" 2 +ATOM 604 O "O4'" . DG A 1 2 ? 8.448 -1.668 2.549 1.00 0.00 ? 2 DG A "O4'" 2 +ATOM 605 C "C3'" . DG A 1 2 ? 10.188 -1.002 4.030 1.00 0.00 ? 2 DG A "C3'" 2 +ATOM 606 O "O3'" . DG A 1 2 ? 10.435 0.376 3.786 1.00 0.00 ? 2 DG A "O3'" 2 +ATOM 607 C "C2'" . DG A 1 2 ? 8.867 -1.193 4.759 1.00 0.00 ? 2 DG A "C2'" 2 +ATOM 608 C "C1'" . DG A 1 2 ? 7.905 -0.907 3.612 1.00 0.00 ? 2 DG A "C1'" 2 +ATOM 609 N N9 . DG A 1 2 ? 6.540 -1.376 3.885 1.00 0.00 ? 2 DG A N9 2 +ATOM 610 C C8 . DG A 1 2 ? 6.138 -2.602 4.331 1.00 0.00 ? 2 DG A C8 2 +ATOM 611 N N7 . DG A 1 2 ? 4.841 -2.760 4.371 1.00 0.00 ? 2 DG A N7 2 +ATOM 612 C C5 . DG A 1 2 ? 4.348 -1.508 3.968 1.00 0.00 ? 2 DG A C5 2 +ATOM 613 C C6 . DG A 1 2 ? 3.017 -0.985 3.807 1.00 0.00 ? 2 DG A C6 2 +ATOM 614 O O6 . DG A 1 2 ? 1.947 -1.568 3.917 1.00 0.00 ? 2 DG A O6 2 +ATOM 615 N N1 . DG A 1 2 ? 2.962 0.356 3.463 1.00 0.00 ? 2 DG A N1 2 +ATOM 616 C C2 . DG A 1 2 ? 4.072 1.101 3.244 1.00 0.00 ? 2 DG A C2 2 +ATOM 617 N N2 . DG A 1 2 ? 3.909 2.383 3.086 1.00 0.00 ? 2 DG A N2 2 +ATOM 618 N N3 . DG A 1 2 ? 5.316 0.656 3.359 1.00 0.00 ? 2 DG A N3 2 +ATOM 619 C C4 . DG A 1 2 ? 5.392 -0.651 3.721 1.00 0.00 ? 2 DG A C4 2 +ATOM 620 H "H5'" . DG A 1 2 ? 9.836 -3.633 1.763 1.00 0.00 ? 2 DG A "H5'" 2 +ATOM 621 H "H5''" . DG A 1 2 ? 11.434 -3.147 2.342 1.00 0.00 ? 2 DG A "H5''" 2 +ATOM 622 H "H4'" . DG A 1 2 ? 10.305 -1.135 1.866 1.00 0.00 ? 2 DG A "H4'" 2 +ATOM 623 H "H3'" . DG A 1 2 ? 11.013 -1.480 4.559 1.00 0.00 ? 2 DG A "H3'" 2 +ATOM 624 H "H2'" . DG A 1 2 ? 8.797 -2.225 5.100 1.00 0.00 ? 2 DG A "H2'" 2 +ATOM 625 H "H2''" . DG A 1 2 ? 8.759 -0.537 5.611 1.00 0.00 ? 2 DG A "H2''" 2 +ATOM 626 H "H1'" . DG A 1 2 ? 7.913 0.156 3.364 1.00 0.00 ? 2 DG A "H1'" 2 +ATOM 627 H H8 . DG A 1 2 ? 6.862 -3.359 4.597 1.00 0.00 ? 2 DG A H8 2 +ATOM 628 H H1 . DG A 1 2 ? 2.052 0.792 3.374 1.00 0.00 ? 2 DG A H1 2 +ATOM 629 H H21 . DG A 1 2 ? 2.994 2.807 3.080 1.00 0.00 ? 2 DG A H21 2 +ATOM 630 H H22 . DG A 1 2 ? 4.767 2.905 3.147 1.00 0.00 ? 2 DG A H22 2 +ATOM 631 P P . DG A 1 3 ? 10.678 1.438 4.972 1.00 0.00 ? 3 DG A P 2 +ATOM 632 O OP1 . DG A 1 3 ? 11.605 2.467 4.453 1.00 0.00 ? 3 DG A OP1 2 +ATOM 633 O OP2 . DG A 1 3 ? 11.035 0.681 6.190 1.00 0.00 ? 3 DG A OP2 2 +ATOM 634 O "O5'" . DG A 1 3 ? 9.228 2.131 5.204 1.00 0.00 ? 3 DG A "O5'" 2 +ATOM 635 C "C5'" . DG A 1 3 ? 8.703 3.079 4.280 1.00 0.00 ? 3 DG A "C5'" 2 +ATOM 636 C "C4'" . DG A 1 3 ? 7.481 3.869 4.801 1.00 0.00 ? 3 DG A "C4'" 2 +ATOM 637 O "O4'" . DG A 1 3 ? 6.272 3.117 4.846 1.00 0.00 ? 3 DG A "O4'" 2 +ATOM 638 C "C3'" . DG A 1 3 ? 7.670 4.508 6.190 1.00 0.00 ? 3 DG A "C3'" 2 +ATOM 639 O "O3'" . DG A 1 3 ? 7.415 5.900 6.123 1.00 0.00 ? 3 DG A "O3'" 2 +ATOM 640 C "C2'" . DG A 1 3 ? 6.612 3.765 7.007 1.00 0.00 ? 3 DG A "C2'" 2 +ATOM 641 C "C1'" . DG A 1 3 ? 5.515 3.544 5.970 1.00 0.00 ? 3 DG A "C1'" 2 +ATOM 642 N N9 . DG A 1 3 ? 4.574 2.459 6.335 1.00 0.00 ? 3 DG A N9 2 +ATOM 643 C C8 . DG A 1 3 ? 4.878 1.162 6.652 1.00 0.00 ? 3 DG A C8 2 +ATOM 644 N N7 . DG A 1 3 ? 3.853 0.367 6.757 1.00 0.00 ? 3 DG A N7 2 +ATOM 645 C C5 . DG A 1 3 ? 2.767 1.214 6.527 1.00 0.00 ? 3 DG A C5 2 +ATOM 646 C C6 . DG A 1 3 ? 1.356 0.957 6.479 1.00 0.00 ? 3 DG A C6 2 +ATOM 647 O O6 . DG A 1 3 ? 0.767 -0.111 6.578 1.00 0.00 ? 3 DG A O6 2 +ATOM 648 N N1 . DG A 1 3 ? 0.582 2.085 6.313 1.00 0.00 ? 3 DG A N1 2 +ATOM 649 C C2 . DG A 1 3 ? 1.105 3.316 6.100 1.00 0.00 ? 3 DG A C2 2 +ATOM 650 N N2 . DG A 1 3 ? 0.250 4.279 5.900 1.00 0.00 ? 3 DG A N2 2 +ATOM 651 N N3 . DG A 1 3 ? 2.408 3.593 6.086 1.00 0.00 ? 3 DG A N3 2 +ATOM 652 C C4 . DG A 1 3 ? 3.198 2.504 6.316 1.00 0.00 ? 3 DG A C4 2 +ATOM 653 H "H5'" . DG A 1 3 ? 8.436 2.578 3.348 1.00 0.00 ? 3 DG A "H5'" 2 +ATOM 654 H "H5''" . DG A 1 3 ? 9.471 3.824 4.056 1.00 0.00 ? 3 DG A "H5''" 2 +ATOM 655 H "H4'" . DG A 1 3 ? 7.306 4.666 4.075 1.00 0.00 ? 3 DG A "H4'" 2 +ATOM 656 H "H3'" . DG A 1 3 ? 8.675 4.311 6.570 1.00 0.00 ? 3 DG A "H3'" 2 +ATOM 657 H "H2'" . DG A 1 3 ? 7.028 2.816 7.333 1.00 0.00 ? 3 DG A "H2'" 2 +ATOM 658 H "H2''" . DG A 1 3 ? 6.263 4.336 7.866 1.00 0.00 ? 3 DG A "H2''" 2 +ATOM 659 H "H1'" . DG A 1 3 ? 5.005 4.484 5.765 1.00 0.00 ? 3 DG A "H1'" 2 +ATOM 660 H H8 . DG A 1 3 ? 5.887 0.815 6.776 1.00 0.00 ? 3 DG A H8 2 +ATOM 661 H H1 . DG A 1 3 ? -0.421 1.931 6.316 1.00 0.00 ? 3 DG A H1 2 +ATOM 662 H H21 . DG A 1 3 ? -0.742 4.108 5.983 1.00 0.00 ? 3 DG A H21 2 +ATOM 663 H H22 . DG A 1 3 ? 0.645 5.190 5.761 1.00 0.00 ? 3 DG A H22 2 +ATOM 664 P P . DA A 1 4 ? 7.739 6.883 7.354 1.00 0.00 ? 4 DA A P 2 +ATOM 665 O OP1 . DA A 1 4 ? 8.108 8.203 6.799 1.00 0.00 ? 4 DA A OP1 2 +ATOM 666 O OP2 . DA A 1 4 ? 8.655 6.192 8.285 1.00 0.00 ? 4 DA A OP2 2 +ATOM 667 O "O5'" . DA A 1 4 ? 6.309 7.024 8.070 1.00 0.00 ? 4 DA A "O5'" 2 +ATOM 668 C "C5'" . DA A 1 4 ? 5.297 7.858 7.529 1.00 0.00 ? 4 DA A "C5'" 2 +ATOM 669 C "C4'" . DA A 1 4 ? 3.965 7.640 8.260 1.00 0.00 ? 4 DA A "C4'" 2 +ATOM 670 O "O4'" . DA A 1 4 ? 3.541 6.294 8.112 1.00 0.00 ? 4 DA A "O4'" 2 +ATOM 671 C "C3'" . DA A 1 4 ? 4.036 7.922 9.774 1.00 0.00 ? 4 DA A "C3'" 2 +ATOM 672 O "O3'" . DA A 1 4 ? 3.485 9.204 10.022 1.00 0.00 ? 4 DA A "O3'" 2 +ATOM 673 C "C2'" . DA A 1 4 ? 3.209 6.774 10.371 1.00 0.00 ? 4 DA A "C2'" 2 +ATOM 674 C "C1'" . DA A 1 4 ? 2.658 6.017 9.169 1.00 0.00 ? 4 DA A "C1'" 2 +ATOM 675 N N9 . DA A 1 4 ? 2.641 4.567 9.414 1.00 0.00 ? 4 DA A N9 2 +ATOM 676 C C8 . DA A 1 4 ? 3.695 3.721 9.646 1.00 0.00 ? 4 DA A C8 2 +ATOM 677 N N7 . DA A 1 4 ? 3.356 2.463 9.752 1.00 0.00 ? 4 DA A N7 2 +ATOM 678 C C5 . DA A 1 4 ? 1.964 2.494 9.594 1.00 0.00 ? 4 DA A C5 2 +ATOM 679 C C6 . DA A 1 4 ? 0.925 1.534 9.584 1.00 0.00 ? 4 DA A C6 2 +ATOM 680 N N6 . DA A 1 4 ? 1.094 0.231 9.698 1.00 0.00 ? 4 DA A N6 2 +ATOM 681 N N1 . DA A 1 4 ? -0.348 1.905 9.417 1.00 0.00 ? 4 DA A N1 2 +ATOM 682 C C2 . DA A 1 4 ? -0.620 3.195 9.268 1.00 0.00 ? 4 DA A C2 2 +ATOM 683 N N3 . DA A 1 4 ? 0.245 4.200 9.260 1.00 0.00 ? 4 DA A N3 2 +ATOM 684 C C4 . DA A 1 4 ? 1.527 3.779 9.417 1.00 0.00 ? 4 DA A C4 2 +ATOM 685 H "H5'" . DA A 1 4 ? 5.145 7.633 6.471 1.00 0.00 ? 4 DA A "H5'" 2 +ATOM 686 H "H5''" . DA A 1 4 ? 5.589 8.906 7.627 1.00 0.00 ? 4 DA A "H5''" 2 +ATOM 687 H "H4'" . DA A 1 4 ? 3.213 8.285 7.799 1.00 0.00 ? 4 DA A "H4'" 2 +ATOM 688 H "H3'" . DA A 1 4 ? 5.064 7.874 10.141 1.00 0.00 ? 4 DA A "H3'" 2 +ATOM 689 H "H2'" . DA A 1 4 ? 3.896 6.156 10.950 1.00 0.00 ? 4 DA A "H2'" 2 +ATOM 690 H "H2''" . DA A 1 4 ? 2.395 7.067 11.022 1.00 0.00 ? 4 DA A "H2''" 2 +ATOM 691 H "H1'" . DA A 1 4 ? 1.665 6.409 8.915 1.00 0.00 ? 4 DA A "H1'" 2 +ATOM 692 H H8 . DA A 1 4 ? 4.714 4.072 9.742 1.00 0.00 ? 4 DA A H8 2 +ATOM 693 H H61 . DA A 1 4 ? 0.265 -0.348 9.671 1.00 0.00 ? 4 DA A H61 2 +ATOM 694 H H62 . DA A 1 4 ? 2.023 -0.142 9.782 1.00 0.00 ? 4 DA A H62 2 +ATOM 695 H H2 . DA A 1 4 ? -1.653 3.469 9.144 1.00 0.00 ? 4 DA A H2 2 +ATOM 696 P P . DT A 1 5 ? 3.188 9.745 11.506 1.00 0.00 ? 5 DT A P 2 +ATOM 697 O OP1 . DT A 1 5 ? 3.336 11.215 11.516 1.00 0.00 ? 5 DT A OP1 2 +ATOM 698 O OP2 . DT A 1 5 ? 3.939 8.916 12.474 1.00 0.00 ? 5 DT A OP2 2 +ATOM 699 O "O5'" . DT A 1 5 ? 1.624 9.396 11.644 1.00 0.00 ? 5 DT A "O5'" 2 +ATOM 700 C "C5'" . DT A 1 5 ? 0.982 9.315 12.904 1.00 0.00 ? 5 DT A "C5'" 2 +ATOM 701 C "C4'" . DT A 1 5 ? -0.448 8.764 12.734 1.00 0.00 ? 5 DT A "C4'" 2 +ATOM 702 O "O4'" . DT A 1 5 ? -0.388 7.456 12.158 1.00 0.00 ? 5 DT A "O4'" 2 +ATOM 703 C "C3'" . DT A 1 5 ? -1.163 8.626 14.096 1.00 0.00 ? 5 DT A "C3'" 2 +ATOM 704 O "O3'" . DT A 1 5 ? -2.557 8.829 13.950 1.00 0.00 ? 5 DT A "O3'" 2 +ATOM 705 C "C2'" . DT A 1 5 ? -0.902 7.153 14.385 1.00 0.00 ? 5 DT A "C2'" 2 +ATOM 706 C "C1'" . DT A 1 5 ? -1.088 6.563 12.994 1.00 0.00 ? 5 DT A "C1'" 2 +ATOM 707 N N1 . DT A 1 5 ? -0.497 5.198 12.900 1.00 0.00 ? 5 DT A N1 2 +ATOM 708 C C2 . DT A 1 5 ? -1.386 4.153 12.664 1.00 0.00 ? 5 DT A C2 2 +ATOM 709 O O2 . DT A 1 5 ? -2.597 4.282 12.579 1.00 0.00 ? 5 DT A O2 2 +ATOM 710 N N3 . DT A 1 5 ? -0.858 2.899 12.565 1.00 0.00 ? 5 DT A N3 2 +ATOM 711 C C4 . DT A 1 5 ? 0.463 2.568 12.695 1.00 0.00 ? 5 DT A C4 2 +ATOM 712 O O4 . DT A 1 5 ? 0.768 1.386 12.612 1.00 0.00 ? 5 DT A O4 2 +ATOM 713 C C5 . DT A 1 5 ? 1.365 3.690 12.955 1.00 0.00 ? 5 DT A C5 2 +ATOM 714 C C7 . DT A 1 5 ? 2.868 3.473 13.141 1.00 0.00 ? 5 DT A C7 2 +ATOM 715 C C6 . DT A 1 5 ? 0.862 4.950 13.066 1.00 0.00 ? 5 DT A C6 2 +ATOM 716 H "H5'" . DT A 1 5 ? 0.937 10.309 13.353 1.00 0.00 ? 5 DT A "H5'" 2 +ATOM 717 H "H5''" . DT A 1 5 ? 1.539 8.652 13.568 1.00 0.00 ? 5 DT A "H5''" 2 +ATOM 718 H "H4'" . DT A 1 5 ? -1.009 9.435 12.079 1.00 0.00 ? 5 DT A "H4'" 2 +ATOM 719 H "H3'" . DT A 1 5 ? -0.698 9.248 14.864 1.00 0.00 ? 5 DT A "H3'" 2 +ATOM 720 H "H2'" . DT A 1 5 ? 0.148 7.098 14.670 1.00 0.00 ? 5 DT A "H2'" 2 +ATOM 721 H "H2''" . DT A 1 5 ? -1.534 6.660 15.146 1.00 0.00 ? 5 DT A "H2''" 2 +ATOM 722 H "H1'" . DT A 1 5 ? -2.153 6.619 12.719 1.00 0.00 ? 5 DT A "H1'" 2 +ATOM 723 H H3 . DT A 1 5 ? -1.527 2.148 12.450 1.00 0.00 ? 5 DT A H3 2 +ATOM 724 H H71 . DT A 1 5 ? 3.109 3.426 14.204 1.00 0.00 ? 5 DT A H71 2 +ATOM 725 H H72 . DT A 1 5 ? 3.185 2.539 12.670 1.00 0.00 ? 5 DT A H72 2 +ATOM 726 H H73 . DT A 1 5 ? 3.439 4.285 12.687 1.00 0.00 ? 5 DT A H73 2 +ATOM 727 H H6 . DT A 1 5 ? 1.562 5.725 13.364 1.00 0.00 ? 5 DT A H6 2 +ATOM 728 P P . DC A 1 6 ? -3.333 10.021 14.704 1.00 0.00 ? 6 DC A P 2 +ATOM 729 O OP1 . DC A 1 6 ? -4.503 10.403 13.886 1.00 0.00 ? 6 DC A OP1 2 +ATOM 730 O OP2 . DC A 1 6 ? -2.348 11.048 15.106 1.00 0.00 ? 6 DC A OP2 2 +ATOM 731 O "O5'" . DC A 1 6 ? -3.869 9.291 16.034 1.00 0.00 ? 6 DC A "O5'" 2 +ATOM 732 C "C5'" . DC A 1 6 ? -2.998 8.910 17.086 1.00 0.00 ? 6 DC A "C5'" 2 +ATOM 733 C "C4'" . DC A 1 6 ? -3.390 7.518 17.608 1.00 0.00 ? 6 DC A "C4'" 2 +ATOM 734 O "O4'" . DC A 1 6 ? -3.236 6.557 16.554 1.00 0.00 ? 6 DC A "O4'" 2 +ATOM 735 C "C3'" . DC A 1 6 ? -2.479 7.080 18.783 1.00 0.00 ? 6 DC A "C3'" 2 +ATOM 736 O "O3'" . DC A 1 6 ? -3.199 6.433 19.807 1.00 0.00 ? 6 DC A "O3'" 2 +ATOM 737 C "C2'" . DC A 1 6 ? -1.567 6.096 18.073 1.00 0.00 ? 6 DC A "C2'" 2 +ATOM 738 C "C1'" . DC A 1 6 ? -2.558 5.455 17.096 1.00 0.00 ? 6 DC A "C1'" 2 +ATOM 739 N N1 . DC A 1 6 ? -1.919 4.440 16.221 1.00 0.00 ? 6 DC A N1 2 +ATOM 740 C C2 . DC A 1 6 ? -2.408 3.123 16.231 1.00 0.00 ? 6 DC A C2 2 +ATOM 741 O O2 . DC A 1 6 ? -3.599 2.890 16.399 1.00 0.00 ? 6 DC A O2 2 +ATOM 742 N N3 . DC A 1 6 ? -1.563 2.061 16.068 1.00 0.00 ? 6 DC A N3 2 +ATOM 743 C C4 . DC A 1 6 ? -0.265 2.303 15.959 1.00 0.00 ? 6 DC A C4 2 +ATOM 744 N N4 . DC A 1 6 ? 0.527 1.282 15.797 1.00 0.00 ? 6 DC A N4 2 +ATOM 745 C C5 . DC A 1 6 ? 0.259 3.622 15.926 1.00 0.00 ? 6 DC A C5 2 +ATOM 746 C C6 . DC A 1 6 ? -0.592 4.621 16.018 1.00 0.00 ? 6 DC A C6 2 +ATOM 747 H "H5'" . DC A 1 6 ? -3.090 9.644 17.888 1.00 0.00 ? 6 DC A "H5'" 2 +ATOM 748 H "H5''" . DC A 1 6 ? -1.953 8.873 16.776 1.00 0.00 ? 6 DC A "H5''" 2 +ATOM 749 H "H4'" . DC A 1 6 ? -4.431 7.543 17.935 1.00 0.00 ? 6 DC A "H4'" 2 +ATOM 750 H "H3'" . DC A 1 6 ? -1.894 7.923 19.157 1.00 0.00 ? 6 DC A "H3'" 2 +ATOM 751 H "H2'" . DC A 1 6 ? -0.831 6.741 17.608 1.00 0.00 ? 6 DC A "H2'" 2 +ATOM 752 H "H2''" . DC A 1 6 ? -1.001 5.341 18.627 1.00 0.00 ? 6 DC A "H2''" 2 +ATOM 753 H "H1'" . DC A 1 6 ? -3.332 4.990 17.613 1.00 0.00 ? 6 DC A "H1'" 2 +ATOM 754 H H41 . DC A 1 6 ? 0.086 0.377 15.825 1.00 0.00 ? 6 DC A H41 2 +ATOM 755 H H42 . DC A 1 6 ? 1.509 1.416 15.654 1.00 0.00 ? 6 DC A H42 2 +ATOM 756 H H5 . DC A 1 6 ? 1.223 4.059 16.004 1.00 0.00 ? 6 DC A H5 2 +ATOM 757 H H6 . DC A 1 6 ? -0.102 5.570 16.049 1.00 0.00 ? 6 DC A H6 2 +ATOM 758 P P . DC A 1 7 ? -2.582 6.319 21.284 1.00 0.00 ? 7 DC A P 2 +ATOM 759 O OP1 . DC A 1 7 ? -2.952 7.539 22.030 1.00 0.00 ? 7 DC A OP1 2 +ATOM 760 O OP2 . DC A 1 7 ? -1.162 5.932 21.147 1.00 0.00 ? 7 DC A OP2 2 +ATOM 761 O "O5'" . DC A 1 7 ? -3.378 5.064 21.892 1.00 0.00 ? 7 DC A "O5'" 2 +ATOM 762 C "C5'" . DC A 1 7 ? -4.742 5.141 22.269 1.00 0.00 ? 7 DC A "C5'" 2 +ATOM 763 C "C4'" . DC A 1 7 ? -5.403 3.759 22.486 1.00 0.00 ? 7 DC A "C4'" 2 +ATOM 764 O "O4'" . DC A 1 7 ? -5.573 3.064 21.228 1.00 0.00 ? 7 DC A "O4'" 2 +ATOM 765 C "C3'" . DC A 1 7 ? -4.579 2.804 23.377 1.00 0.00 ? 7 DC A "C3'" 2 +ATOM 766 O "O3'" . DC A 1 7 ? -5.406 1.839 23.992 1.00 0.00 ? 7 DC A "O3'" 2 +ATOM 767 C "C2'" . DC A 1 7 ? -3.745 2.096 22.317 1.00 0.00 ? 7 DC A "C2'" 2 +ATOM 768 C "C1'" . DC A 1 7 ? -4.751 1.889 21.182 1.00 0.00 ? 7 DC A "C1'" 2 +ATOM 769 N N1 . DC A 1 7 ? -3.964 1.768 19.922 1.00 0.00 ? 7 DC A N1 2 +ATOM 770 C C2 . DC A 1 7 ? -3.668 0.449 19.576 1.00 0.00 ? 7 DC A C2 2 +ATOM 771 O O2 . DC A 1 7 ? -4.529 -0.419 19.621 1.00 0.00 ? 7 DC A O2 2 +ATOM 772 N N3 . DC A 1 7 ? -2.408 0.081 19.228 1.00 0.00 ? 7 DC A N3 2 +ATOM 773 C C4 . DC A 1 7 ? -1.486 1.020 19.155 1.00 0.00 ? 7 DC A C4 2 +ATOM 774 N N4 . DC A 1 7 ? -0.261 0.625 18.965 1.00 0.00 ? 7 DC A N4 2 +ATOM 775 C C5 . DC A 1 7 ? -1.763 2.395 19.366 1.00 0.00 ? 7 DC A C5 2 +ATOM 776 C C6 . DC A 1 7 ? -3.030 2.746 19.660 1.00 0.00 ? 7 DC A C6 2 +ATOM 777 H "H5'" . DC A 1 7 ? -5.320 5.668 21.506 1.00 0.00 ? 7 DC A "H5'" 2 +ATOM 778 H "H5''" . DC A 1 7 ? -4.805 5.710 23.199 1.00 0.00 ? 7 DC A "H5''" 2 +ATOM 779 H "H4'" . DC A 1 7 ? -6.357 4.032 22.973 1.00 0.00 ? 7 DC A "H4'" 2 +ATOM 780 H "H3'" . DC A 1 7 ? -3.938 3.335 24.091 1.00 0.00 ? 7 DC A "H3'" 2 +ATOM 781 H "H2'" . DC A 1 7 ? -2.955 2.787 22.076 1.00 0.00 ? 7 DC A "H2'" 2 +ATOM 782 H "H2''" . DC A 1 7 ? -3.214 1.188 22.558 1.00 0.00 ? 7 DC A "H2''" 2 +ATOM 783 H "H1'" . DC A 1 7 ? -5.327 0.954 21.390 1.00 0.00 ? 7 DC A "H1'" 2 +ATOM 784 H H41 . DC A 1 7 ? -0.138 -0.370 18.884 1.00 0.00 ? 7 DC A H41 2 +ATOM 785 H H42 . DC A 1 7 ? 0.490 1.260 19.185 1.00 0.00 ? 7 DC A H42 2 +ATOM 786 H H5 . DC A 1 7 ? -1.006 3.133 19.496 1.00 0.00 ? 7 DC A H5 2 +ATOM 787 H H6 . DC A 1 7 ? -3.221 3.800 19.834 1.00 0.00 ? 7 DC A H6 2 +ATOM 788 P P . DU A 1 8 ? -5.950 2.075 25.478 1.00 0.00 ? 8 DU A P 2 +ATOM 789 O OP1 . DU A 1 8 ? -7.004 1.081 25.772 1.00 0.00 ? 8 DU A OP1 2 +ATOM 790 O OP2 . DU A 1 8 ? -6.199 3.519 25.662 1.00 0.00 ? 8 DU A OP2 2 +ATOM 791 O "O5'" . DU A 1 8 ? -4.632 1.661 26.294 1.00 0.00 ? 8 DU A "O5'" 2 +ATOM 792 C "C5'" . DU A 1 8 ? -4.317 0.294 26.509 1.00 0.00 ? 8 DU A "C5'" 2 +ATOM 793 C "C4'" . DU A 1 8 ? -2.811 0.106 26.746 1.00 0.00 ? 8 DU A "C4'" 2 +ATOM 794 O "O4'" . DU A 1 8 ? -2.107 0.178 25.499 1.00 0.00 ? 8 DU A "O4'" 2 +ATOM 795 C "C3'" . DU A 1 8 ? -2.166 1.162 27.671 1.00 0.00 ? 8 DU A "C3'" 2 +ATOM 796 O "O3'" . DU A 1 8 ? -1.261 0.522 28.584 1.00 0.00 ? 8 DU A "O3'" 2 +ATOM 797 C "C2'" . DU A 1 8 ? -1.422 2.048 26.662 1.00 0.00 ? 8 DU A "C2'" 2 +ATOM 798 C "C1'" . DU A 1 8 ? -0.959 0.990 25.665 1.00 0.00 ? 8 DU A "C1'" 2 +ATOM 799 N N1 . DU A 1 8 ? -0.416 1.409 24.364 1.00 0.00 ? 8 DU A N1 2 +ATOM 800 C C2 . DU A 1 8 ? 0.245 0.408 23.649 1.00 0.00 ? 8 DU A C2 2 +ATOM 801 O O2 . DU A 1 8 ? 0.464 -0.717 24.070 1.00 0.00 ? 8 DU A O2 2 +ATOM 802 N N3 . DU A 1 8 ? 0.731 0.753 22.413 1.00 0.00 ? 8 DU A N3 2 +ATOM 803 C C4 . DU A 1 8 ? 0.643 1.995 21.840 1.00 0.00 ? 8 DU A C4 2 +ATOM 804 O O4 . DU A 1 8 ? 1.181 2.182 20.755 1.00 0.00 ? 8 DU A O4 2 +ATOM 805 C C5 . DU A 1 8 ? -0.080 2.980 22.620 1.00 0.00 ? 8 DU A C5 2 +ATOM 806 C C6 . DU A 1 8 ? -0.590 2.681 23.842 1.00 0.00 ? 8 DU A C6 2 +ATOM 807 H "H5'" . DU A 1 8 ? -4.591 -0.325 25.651 1.00 0.00 ? 8 DU A "H5'" 2 +ATOM 808 H "H5''" . DU A 1 8 ? -4.864 -0.061 27.383 1.00 0.00 ? 8 DU A "H5''" 2 +ATOM 809 H "H4'" . DU A 1 8 ? -2.638 -0.898 27.161 1.00 0.00 ? 8 DU A "H4'" 2 +ATOM 810 H "H3'" . DU A 1 8 ? -2.960 1.713 28.197 1.00 0.00 ? 8 DU A "H3'" 2 +ATOM 811 H "H2'" . DU A 1 8 ? -2.161 2.727 26.222 1.00 0.00 ? 8 DU A "H2'" 2 +ATOM 812 H "H2''" . DU A 1 8 ? -0.588 2.597 27.120 1.00 0.00 ? 8 DU A "H2''" 2 +ATOM 813 H "H1'" . DU A 1 8 ? -0.234 0.354 26.197 1.00 0.00 ? 8 DU A "H1'" 2 +ATOM 814 H H3 . DU A 1 8 ? 1.178 0.019 21.884 1.00 0.00 ? 8 DU A H3 2 +ATOM 815 H H5 . DU A 1 8 ? -0.207 3.968 22.207 1.00 0.00 ? 8 DU A H5 2 +ATOM 816 H H6 . DU A 1 8 ? -1.116 3.477 24.348 1.00 0.00 ? 8 DU A H6 2 +ATOM 817 P P . DT A 1 9 ? -0.890 1.450 29.863 1.00 0.00 ? 9 DT A P 2 +ATOM 818 O OP1 . DT A 1 9 ? -2.014 1.327 30.817 1.00 0.00 ? 9 DT A OP1 2 +ATOM 819 O OP2 . DT A 1 9 ? -0.480 2.800 29.417 1.00 0.00 ? 9 DT A OP2 2 +ATOM 820 O "O5'" . DT A 1 9 ? 0.384 0.700 30.515 1.00 0.00 ? 9 DT A "O5'" 2 +ATOM 821 C "C5'" . DT A 1 9 ? 1.722 0.876 30.059 1.00 0.00 ? 9 DT A "C5'" 2 +ATOM 822 C "C4'" . DT A 1 9 ? 1.980 0.445 28.599 1.00 0.00 ? 9 DT A "C4'" 2 +ATOM 823 O "O4'" . DT A 1 9 ? 1.511 1.457 27.721 1.00 0.00 ? 9 DT A "O4'" 2 +ATOM 824 C "C3'" . DT A 1 9 ? 3.488 0.271 28.302 1.00 0.00 ? 9 DT A "C3'" 2 +ATOM 825 O "O3'" . DT A 1 9 ? 3.831 -1.066 27.983 1.00 0.00 ? 9 DT A "O3'" 2 +ATOM 826 C "C2'" . DT A 1 9 ? 3.741 1.094 27.035 1.00 0.00 ? 9 DT A "C2'" 2 +ATOM 827 C "C1'" . DT A 1 9 ? 2.368 1.594 26.614 1.00 0.00 ? 9 DT A "C1'" 2 +ATOM 828 N N1 . DT A 1 9 ? 2.429 3.009 26.129 1.00 0.00 ? 9 DT A N1 2 +ATOM 829 C C2 . DT A 1 9 ? 2.380 4.014 27.103 1.00 0.00 ? 9 DT A C2 2 +ATOM 830 O O2 . DT A 1 9 ? 2.585 3.853 28.296 1.00 0.00 ? 9 DT A O2 2 +ATOM 831 N N3 . DT A 1 9 ? 2.185 5.294 26.660 1.00 0.00 ? 9 DT A N3 2 +ATOM 832 C C4 . DT A 1 9 ? 2.217 5.703 25.353 1.00 0.00 ? 9 DT A C4 2 +ATOM 833 O O4 . DT A 1 9 ? 2.043 6.891 25.123 1.00 0.00 ? 9 DT A O4 2 +ATOM 834 C C5 . DT A 1 9 ? 2.526 4.650 24.384 1.00 0.00 ? 9 DT A C5 2 +ATOM 835 C C7 . DT A 1 9 ? 2.731 4.994 22.905 1.00 0.00 ? 9 DT A C7 2 +ATOM 836 C C6 . DT A 1 9 ? 2.626 3.355 24.797 1.00 0.00 ? 9 DT A C6 2 +ATOM 837 H "H5'" . DT A 1 9 ? 2.337 0.252 30.708 1.00 0.00 ? 9 DT A "H5'" 2 +ATOM 838 H "H5''" . DT A 1 9 ? 2.036 1.912 30.205 1.00 0.00 ? 9 DT A "H5''" 2 +ATOM 839 H "H4'" . DT A 1 9 ? 1.441 -0.486 28.424 1.00 0.00 ? 9 DT A "H4'" 2 +ATOM 840 H "H3'" . DT A 1 9 ? 4.113 0.657 29.112 1.00 0.00 ? 9 DT A "H3'" 2 +ATOM 841 H "H2'" . DT A 1 9 ? 4.385 1.942 27.259 1.00 0.00 ? 9 DT A "H2'" 2 +ATOM 842 H "H2''" . DT A 1 9 ? 4.205 0.523 26.234 1.00 0.00 ? 9 DT A "H2''" 2 +ATOM 843 H "H1'" . DT A 1 9 ? 1.948 0.884 25.897 1.00 0.00 ? 9 DT A "H1'" 2 +ATOM 844 H H3 . DT A 1 9 ? 2.064 5.994 27.363 1.00 0.00 ? 9 DT A H3 2 +ATOM 845 H H71 . DT A 1 9 ? 1.839 5.495 22.520 1.00 0.00 ? 9 DT A H71 2 +ATOM 846 H H72 . DT A 1 9 ? 3.577 5.675 22.799 1.00 0.00 ? 9 DT A H72 2 +ATOM 847 H H73 . DT A 1 9 ? 2.918 4.115 22.286 1.00 0.00 ? 9 DT A H73 2 +ATOM 848 H H6 . DT A 1 9 ? 2.932 2.640 24.045 1.00 0.00 ? 9 DT A H6 2 +ATOM 849 P P . DT A 1 10 B 3.860 -2.210 29.107 1.00 0.00 ? 1 DT A P 2 +ATOM 850 O OP1 . DT A 1 10 B 2.483 -2.352 29.632 1.00 0.00 ? 1 DT A OP1 2 +ATOM 851 O OP2 . DT A 1 10 B 4.986 -1.920 30.020 1.00 0.00 ? 1 DT A OP2 2 +ATOM 852 O "O5'" . DT A 1 10 B 4.171 -3.552 28.289 1.00 0.00 ? 1 DT A "O5'" 2 +ATOM 853 C "C5'" . DT A 1 10 B 5.405 -3.814 27.645 1.00 0.00 ? 1 DT A "C5'" 2 +ATOM 854 C "C4'" . DT A 1 10 B 5.249 -5.110 26.822 1.00 0.00 ? 1 DT A "C4'" 2 +ATOM 855 O "O4'" . DT A 1 10 B 4.202 -4.910 25.876 1.00 0.00 ? 1 DT A "O4'" 2 +ATOM 856 C "C3'" . DT A 1 10 B 6.524 -5.454 26.020 1.00 0.00 ? 1 DT A "C3'" 2 +ATOM 857 O "O3'" . DT A 1 10 B 6.718 -6.822 25.718 1.00 0.00 ? 1 DT A "O3'" 2 +ATOM 858 C "C2'" . DT A 1 10 B 6.202 -4.790 24.687 1.00 0.00 ? 1 DT A "C2'" 2 +ATOM 859 C "C1'" . DT A 1 10 B 4.700 -5.077 24.572 1.00 0.00 ? 1 DT A "C1'" 2 +ATOM 860 N N1 . DT A 1 10 B 3.985 -4.114 23.696 1.00 0.00 ? 1 DT A N1 2 +ATOM 861 C C2 . DT A 1 10 B 3.165 -4.617 22.687 1.00 0.00 ? 1 DT A C2 2 +ATOM 862 O O2 . DT A 1 10 B 3.001 -5.808 22.465 1.00 0.00 ? 1 DT A O2 2 +ATOM 863 N N3 . DT A 1 10 B 2.511 -3.699 21.904 1.00 0.00 ? 1 DT A N3 2 +ATOM 864 C C4 . DT A 1 10 B 2.573 -2.331 22.045 1.00 0.00 ? 1 DT A C4 2 +ATOM 865 O O4 . DT A 1 10 B 1.901 -1.627 21.303 1.00 0.00 ? 1 DT A O4 2 +ATOM 866 C C5 . DT A 1 10 B 3.481 -1.858 23.091 1.00 0.00 ? 1 DT A C5 2 +ATOM 867 C C7 . DT A 1 10 B 3.755 -0.373 23.316 1.00 0.00 ? 1 DT A C7 2 +ATOM 868 C C6 . DT A 1 10 B 4.128 -2.754 23.876 1.00 0.00 ? 1 DT A C6 2 +ATOM 869 H "H5'" . DT A 1 10 B 6.192 -3.945 28.390 1.00 0.00 ? 1 DT A "H5'" 2 +ATOM 870 H "H5''" . DT A 1 10 B 5.670 -2.988 26.984 1.00 0.00 ? 1 DT A "H5''" 2 +ATOM 871 H "H4'" . DT A 1 10 B 4.984 -5.911 27.511 1.00 0.00 ? 1 DT A "H4'" 2 +ATOM 872 H "H3'" . DT A 1 10 B 7.427 -5.033 26.468 1.00 0.00 ? 1 DT A "H3'" 2 +ATOM 873 H "H2'" . DT A 1 10 B 6.447 -3.736 24.772 1.00 0.00 ? 1 DT A "H2'" 2 +ATOM 874 H "H2''" . DT A 1 10 B 6.753 -5.211 23.849 1.00 0.00 ? 1 DT A "H2''" 2 +ATOM 875 H "H1'" . DT A 1 10 B 4.561 -6.122 24.287 1.00 0.00 ? 1 DT A "H1'" 2 +ATOM 876 H H3 . DT A 1 10 B 1.945 -4.076 21.153 1.00 0.00 ? 1 DT A H3 2 +ATOM 877 H H71 . DT A 1 10 B 4.755 -0.201 23.717 1.00 0.00 ? 1 DT A H71 2 +ATOM 878 H H72 . DT A 1 10 B 3.678 0.161 22.373 1.00 0.00 ? 1 DT A H72 2 +ATOM 879 H H73 . DT A 1 10 B 3.022 0.024 24.016 1.00 0.00 ? 1 DT A H73 2 +ATOM 880 H H6 . DT A 1 10 B 4.765 -2.375 24.656 1.00 0.00 ? 1 DT A H6 2 +ATOM 881 P P . DT A 1 11 B 7.011 -7.922 26.851 1.00 0.00 ? 2 DT A P 2 +ATOM 882 O OP1 . DT A 1 11 B 7.618 -7.233 28.010 1.00 0.00 ? 2 DT A OP1 2 +ATOM 883 O OP2 . DT A 1 11 B 7.709 -9.061 26.217 1.00 0.00 ? 2 DT A OP2 2 +ATOM 884 O "O5'" . DT A 1 11 B 5.523 -8.390 27.236 1.00 0.00 ? 2 DT A "O5'" 2 +ATOM 885 C "C5'" . DT A 1 11 B 4.660 -8.960 26.262 1.00 0.00 ? 2 DT A "C5'" 2 +ATOM 886 C "C4'" . DT A 1 11 B 3.187 -8.790 26.673 1.00 0.00 ? 2 DT A "C4'" 2 +ATOM 887 O "O4'" . DT A 1 11 B 2.876 -7.420 26.868 1.00 0.00 ? 2 DT A "O4'" 2 +ATOM 888 C "C3'" . DT A 1 11 B 2.224 -9.234 25.560 1.00 0.00 ? 2 DT A "C3'" 2 +ATOM 889 O "O3'" . DT A 1 11 B 1.692 -10.516 25.821 1.00 0.00 ? 2 DT A "O3'" 2 +ATOM 890 C "C2'" . DT A 1 11 B 1.106 -8.187 25.620 1.00 0.00 ? 2 DT A "C2'" 2 +ATOM 891 C "C1'" . DT A 1 11 B 1.478 -7.300 26.810 1.00 0.00 ? 2 DT A "C1'" 2 +ATOM 892 N N1 . DT A 1 11 B 1.068 -5.869 26.767 1.00 0.00 ? 2 DT A N1 2 +ATOM 893 C C2 . DT A 1 11 B 1.407 -5.112 27.892 1.00 0.00 ? 2 DT A C2 2 +ATOM 894 O O2 . DT A 1 11 B 1.923 -5.587 28.895 1.00 0.00 ? 2 DT A O2 2 +ATOM 895 N N3 . DT A 1 11 B 1.041 -3.791 27.886 1.00 0.00 ? 2 DT A N3 2 +ATOM 896 C C4 . DT A 1 11 B 0.329 -3.157 26.897 1.00 0.00 ? 2 DT A C4 2 +ATOM 897 O O4 . DT A 1 11 B 0.047 -1.975 27.042 1.00 0.00 ? 2 DT A O4 2 +ATOM 898 C C5 . DT A 1 11 B -0.058 -4.009 25.768 1.00 0.00 ? 2 DT A C5 2 +ATOM 899 C C7 . DT A 1 11 B -0.901 -3.468 24.609 1.00 0.00 ? 2 DT A C7 2 +ATOM 900 C C6 . DT A 1 11 B 0.325 -5.315 25.739 1.00 0.00 ? 2 DT A C6 2 +ATOM 901 H "H5'" . DT A 1 11 B 4.891 -10.020 26.143 1.00 0.00 ? 2 DT A "H5'" 2 +ATOM 902 H "H5''" . DT A 1 11 B 4.790 -8.467 25.296 1.00 0.00 ? 2 DT A "H5''" 2 +ATOM 903 H "H4'" . DT A 1 11 B 2.994 -9.340 27.597 1.00 0.00 ? 2 DT A "H4'" 2 +ATOM 904 H "H3'" . DT A 1 11 B 2.734 -9.189 24.592 1.00 0.00 ? 2 DT A "H3'" 2 +ATOM 905 H "H2'" . DT A 1 11 B 1.167 -7.647 24.679 1.00 0.00 ? 2 DT A "H2'" 2 +ATOM 906 H "H2''" . DT A 1 11 B 0.109 -8.611 25.744 1.00 0.00 ? 2 DT A "H2''" 2 +ATOM 907 H "H1'" . DT A 1 11 B 1.053 -7.761 27.706 1.00 0.00 ? 2 DT A "H1'" 2 +ATOM 908 H H3 . DT A 1 11 B 1.432 -3.221 28.644 1.00 0.00 ? 2 DT A H3 2 +ATOM 909 H H71 . DT A 1 11 B -0.292 -3.405 23.705 1.00 0.00 ? 2 DT A H71 2 +ATOM 910 H H72 . DT A 1 11 B -1.766 -4.105 24.414 1.00 0.00 ? 2 DT A H72 2 +ATOM 911 H H73 . DT A 1 11 B -1.273 -2.466 24.833 1.00 0.00 ? 2 DT A H73 2 +ATOM 912 H H6 . DT A 1 11 B 0.009 -5.910 24.895 1.00 0.00 ? 2 DT A H6 2 +ATOM 913 P P . DG A 1 12 B 1.076 -11.404 24.633 1.00 0.00 ? 3 DG A P 2 +ATOM 914 O OP1 . DG A 1 12 B 0.372 -12.557 25.231 1.00 0.00 ? 3 DG A OP1 2 +ATOM 915 O OP2 . DG A 1 12 B 2.152 -11.631 23.645 1.00 0.00 ? 3 DG A OP2 2 +ATOM 916 O "O5'" . DG A 1 12 B -0.025 -10.438 23.960 1.00 0.00 ? 3 DG A "O5'" 2 +ATOM 917 C "C5'" . DG A 1 12 B -0.333 -10.525 22.579 1.00 0.00 ? 3 DG A "C5'" 2 +ATOM 918 C "C4'" . DG A 1 12 B -1.447 -9.536 22.191 1.00 0.00 ? 3 DG A "C4'" 2 +ATOM 919 O "O4'" . DG A 1 12 B -0.980 -8.181 22.207 1.00 0.00 ? 3 DG A "O4'" 2 +ATOM 920 C "C3'" . DG A 1 12 B -1.955 -9.812 20.756 1.00 0.00 ? 3 DG A "C3'" 2 +ATOM 921 O "O3'" . DG A 1 12 B -3.366 -9.697 20.721 1.00 0.00 ? 3 DG A "O3'" 2 +ATOM 922 C "C2'" . DG A 1 12 B -1.295 -8.668 19.998 1.00 0.00 ? 3 DG A "C2'" 2 +ATOM 923 C "C1'" . DG A 1 12 B -1.455 -7.564 21.026 1.00 0.00 ? 3 DG A "C1'" 2 +ATOM 924 N N9 . DG A 1 12 B -0.692 -6.363 20.643 1.00 0.00 ? 3 DG A N9 2 +ATOM 925 C C8 . DG A 1 12 B 0.632 -6.254 20.312 1.00 0.00 ? 3 DG A C8 2 +ATOM 926 N N7 . DG A 1 12 B 0.992 -5.060 19.920 1.00 0.00 ? 3 DG A N7 2 +ATOM 927 C C5 . DG A 1 12 B -0.204 -4.331 19.954 1.00 0.00 ? 3 DG A C5 2 +ATOM 928 C C6 . DG A 1 12 B -0.538 -2.995 19.541 1.00 0.00 ? 3 DG A C6 2 +ATOM 929 O O6 . DG A 1 12 B 0.173 -2.156 19.007 1.00 0.00 ? 3 DG A O6 2 +ATOM 930 N N1 . DG A 1 12 B -1.856 -2.643 19.765 1.00 0.00 ? 3 DG A N1 2 +ATOM 931 C C2 . DG A 1 12 B -2.787 -3.517 20.211 1.00 0.00 ? 3 DG A C2 2 +ATOM 932 N N2 . DG A 1 12 B -4.031 -3.153 20.096 1.00 0.00 ? 3 DG A N2 2 +ATOM 933 N N3 . DG A 1 12 B -2.542 -4.786 20.512 1.00 0.00 ? 3 DG A N3 2 +ATOM 934 C C4 . DG A 1 12 B -1.231 -5.128 20.396 1.00 0.00 ? 3 DG A C4 2 +ATOM 935 H "H5'" . DG A 1 12 B -0.677 -11.540 22.367 1.00 0.00 ? 3 DG A "H5'" 2 +ATOM 936 H "H5''" . DG A 1 12 B 0.553 -10.320 21.974 1.00 0.00 ? 3 DG A "H5''" 2 +ATOM 937 H "H4'" . DG A 1 12 B -2.269 -9.649 22.901 1.00 0.00 ? 3 DG A "H4'" 2 +ATOM 938 H "H3'" . DG A 1 12 B -1.635 -10.788 20.382 1.00 0.00 ? 3 DG A "H3'" 2 +ATOM 939 H "H2'" . DG A 1 12 B -0.244 -8.900 19.845 1.00 0.00 ? 3 DG A "H2'" 2 +ATOM 940 H "H2''" . DG A 1 12 B -1.753 -8.423 19.046 1.00 0.00 ? 3 DG A "H2''" 2 +ATOM 941 H "H1'" . DG A 1 12 B -2.512 -7.325 21.140 1.00 0.00 ? 3 DG A "H1'" 2 +ATOM 942 H H8 . DG A 1 12 B 1.305 -7.097 20.346 1.00 0.00 ? 3 DG A H8 2 +ATOM 943 H H1 . DG A 1 12 B -2.129 -1.704 19.504 1.00 0.00 ? 3 DG A H1 2 +ATOM 944 H H21 . DG A 1 12 B -4.270 -2.233 19.756 1.00 0.00 ? 3 DG A H21 2 +ATOM 945 H H22 . DG A 1 12 B -4.671 -3.932 20.093 1.00 0.00 ? 3 DG A H22 2 +ATOM 946 P P . DG A 1 13 B -4.206 -9.932 19.371 1.00 0.00 ? 4 DG A P 2 +ATOM 947 O OP1 . DG A 1 13 B -5.433 -10.673 19.732 1.00 0.00 ? 4 DG A OP1 2 +ATOM 948 O OP2 . DG A 1 13 B -3.289 -10.482 18.350 1.00 0.00 ? 4 DG A OP2 2 +ATOM 949 O "O5'" . DG A 1 13 B -4.628 -8.437 18.924 1.00 0.00 ? 4 DG A "O5'" 2 +ATOM 950 C "C5'" . DG A 1 13 B -5.583 -7.687 19.664 1.00 0.00 ? 4 DG A "C5'" 2 +ATOM 951 C "C4'" . DG A 1 13 B -6.111 -6.461 18.892 1.00 0.00 ? 4 DG A "C4'" 2 +ATOM 952 O "O4'" . DG A 1 13 B -5.142 -5.416 18.800 1.00 0.00 ? 4 DG A "O4'" 2 +ATOM 953 C "C3'" . DG A 1 13 B -6.558 -6.806 17.458 1.00 0.00 ? 4 DG A "C3'" 2 +ATOM 954 O "O3'" . DG A 1 13 B -7.798 -6.186 17.178 1.00 0.00 ? 4 DG A "O3'" 2 +ATOM 955 C "C2'" . DG A 1 13 B -5.431 -6.169 16.655 1.00 0.00 ? 4 DG A "C2'" 2 +ATOM 956 C "C1'" . DG A 1 13 B -5.162 -4.912 17.475 1.00 0.00 ? 4 DG A "C1'" 2 +ATOM 957 N N9 . DG A 1 13 B -3.856 -4.313 17.133 1.00 0.00 ? 4 DG A N9 2 +ATOM 958 C C8 . DG A 1 13 B -2.652 -4.950 17.003 1.00 0.00 ? 4 DG A C8 2 +ATOM 959 N N7 . DG A 1 13 B -1.659 -4.170 16.681 1.00 0.00 ? 4 DG A N7 2 +ATOM 960 C C5 . DG A 1 13 B -2.257 -2.909 16.573 1.00 0.00 ? 4 DG A C5 2 +ATOM 961 C C6 . DG A 1 13 B -1.725 -1.620 16.228 1.00 0.00 ? 4 DG A C6 2 +ATOM 962 O O6 . DG A 1 13 B -0.580 -1.321 15.915 1.00 0.00 ? 4 DG A O6 2 +ATOM 963 N N1 . DG A 1 13 B -2.651 -0.595 16.239 1.00 0.00 ? 4 DG A N1 2 +ATOM 964 C C2 . DG A 1 13 B -3.958 -0.793 16.526 1.00 0.00 ? 4 DG A C2 2 +ATOM 965 N N2 . DG A 1 13 B -4.723 0.262 16.465 1.00 0.00 ? 4 DG A N2 2 +ATOM 966 N N3 . DG A 1 13 B -4.506 -1.972 16.814 1.00 0.00 ? 4 DG A N3 2 +ATOM 967 C C4 . DG A 1 13 B -3.605 -2.995 16.831 1.00 0.00 ? 4 DG A C4 2 +ATOM 968 H "H5'" . DG A 1 13 B -5.147 -7.363 20.611 1.00 0.00 ? 4 DG A "H5'" 2 +ATOM 969 H "H5''" . DG A 1 13 B -6.452 -8.312 19.883 1.00 0.00 ? 4 DG A "H5''" 2 +ATOM 970 H "H4'" . DG A 1 13 B -6.964 -6.074 19.455 1.00 0.00 ? 4 DG A "H4'" 2 +ATOM 971 H "H3'" . DG A 1 13 B -6.618 -7.887 17.300 1.00 0.00 ? 4 DG A "H3'" 2 +ATOM 972 H "H2'" . DG A 1 13 B -4.582 -6.849 16.675 1.00 0.00 ? 4 DG A "H2'" 2 +ATOM 973 H "H2''" . DG A 1 13 B -5.681 -5.956 15.622 1.00 0.00 ? 4 DG A "H2''" 2 +ATOM 974 H "H1'" . DG A 1 13 B -5.979 -4.198 17.348 1.00 0.00 ? 4 DG A "H1'" 2 +ATOM 975 H H8 . DG A 1 13 B -2.545 -6.014 17.142 1.00 0.00 ? 4 DG A H8 2 +ATOM 976 H H1 . DG A 1 13 B -2.305 0.348 16.099 1.00 0.00 ? 4 DG A H1 2 +ATOM 977 H H21 . DG A 1 13 B -4.330 1.179 16.299 1.00 0.00 ? 4 DG A H21 2 +ATOM 978 H H22 . DG A 1 13 B -5.690 0.101 16.676 1.00 0.00 ? 4 DG A H22 2 +ATOM 979 P P . DA A 1 14 B -8.568 -6.424 15.787 1.00 0.00 ? 5 DA A P 2 +ATOM 980 O OP1 . DA A 1 14 B -10.001 -6.619 16.091 1.00 0.00 ? 5 DA A OP1 2 +ATOM 981 O OP2 . DA A 1 14 B -7.833 -7.440 15.005 1.00 0.00 ? 5 DA A OP2 2 +ATOM 982 O "O5'" . DA A 1 14 B -8.396 -5.002 15.051 1.00 0.00 ? 5 DA A "O5'" 2 +ATOM 983 C "C5'" . DA A 1 14 B -9.120 -3.865 15.491 1.00 0.00 ? 5 DA A "C5'" 2 +ATOM 984 C "C4'" . DA A 1 14 B -8.898 -2.652 14.573 1.00 0.00 ? 5 DA A "C4'" 2 +ATOM 985 O "O4'" . DA A 1 14 B -7.570 -2.147 14.687 1.00 0.00 ? 5 DA A "O4'" 2 +ATOM 986 C "C3'" . DA A 1 14 B -9.162 -2.951 13.084 1.00 0.00 ? 5 DA A "C3'" 2 +ATOM 987 O "O3'" . DA A 1 14 B -9.988 -1.949 12.523 1.00 0.00 ? 5 DA A "O3'" 2 +ATOM 988 C "C2'" . DA A 1 14 B -7.744 -2.906 12.520 1.00 0.00 ? 5 DA A "C2'" 2 +ATOM 989 C "C1'" . DA A 1 14 B -7.112 -1.820 13.391 1.00 0.00 ? 5 DA A "C1'" 2 +ATOM 990 N N9 . DA A 1 14 B -5.635 -1.889 13.391 1.00 0.00 ? 5 DA A N9 2 +ATOM 991 C C8 . DA A 1 14 B -4.817 -2.954 13.687 1.00 0.00 ? 5 DA A C8 2 +ATOM 992 N N7 . DA A 1 14 B -3.541 -2.693 13.596 1.00 0.00 ? 5 DA A N7 2 +ATOM 993 C C5 . DA A 1 14 B -3.517 -1.343 13.235 1.00 0.00 ? 5 DA A C5 2 +ATOM 994 C C6 . DA A 1 14 B -2.502 -0.394 12.978 1.00 0.00 ? 5 DA A C6 2 +ATOM 995 N N6 . DA A 1 14 B -1.211 -0.653 13.030 1.00 0.00 ? 5 DA A N6 2 +ATOM 996 N N1 . DA A 1 14 B -2.800 0.869 12.656 1.00 0.00 ? 5 DA A N1 2 +ATOM 997 C C2 . DA A 1 14 B -4.081 1.216 12.607 1.00 0.00 ? 5 DA A C2 2 +ATOM 998 N N3 . DA A 1 14 B -5.135 0.435 12.816 1.00 0.00 ? 5 DA A N3 2 +ATOM 999 C C4 . DA A 1 14 B -4.787 -0.844 13.128 1.00 0.00 ? 5 DA A C4 2 +ATOM 1000 H "H5'" . DA A 1 14 B -8.825 -3.601 16.509 1.00 0.00 ? 5 DA A "H5'" 2 +ATOM 1001 H "H5''" . DA A 1 14 B -10.190 -4.085 15.485 1.00 0.00 ? 5 DA A "H5''" 2 +ATOM 1002 H "H4'" . DA A 1 14 B -9.577 -1.865 14.908 1.00 0.00 ? 5 DA A "H4'" 2 +ATOM 1003 H "H3'" . DA A 1 14 B -9.616 -3.940 12.960 1.00 0.00 ? 5 DA A "H3'" 2 +ATOM 1004 H "H2'" . DA A 1 14 B -7.283 -3.880 12.685 1.00 0.00 ? 5 DA A "H2'" 2 +ATOM 1005 H "H2''" . DA A 1 14 B -7.712 -2.656 11.460 1.00 0.00 ? 5 DA A "H2''" 2 +ATOM 1006 H "H1'" . DA A 1 14 B -7.481 -0.830 13.102 1.00 0.00 ? 5 DA A "H1'" 2 +ATOM 1007 H H8 . DA A 1 14 B -5.173 -3.935 13.970 1.00 0.00 ? 5 DA A H8 2 +ATOM 1008 H H61 . DA A 1 14 B -0.574 0.102 12.824 1.00 0.00 ? 5 DA A H61 2 +ATOM 1009 H H62 . DA A 1 14 B -0.898 -1.548 13.366 1.00 0.00 ? 5 DA A H62 2 +ATOM 1010 H H2 . DA A 1 14 B -4.295 2.238 12.341 1.00 0.00 ? 5 DA A H2 2 +ATOM 1011 P P . DT A 1 15 B -10.565 -2.068 11.025 1.00 0.00 ? 6 DT A P 2 +ATOM 1012 O OP1 . DT A 1 15 B -11.900 -1.431 11.003 1.00 0.00 ? 6 DT A OP1 2 +ATOM 1013 O OP2 . DT A 1 15 B -10.402 -3.463 10.566 1.00 0.00 ? 6 DT A OP2 2 +ATOM 1014 O "O5'" . DT A 1 15 B -9.548 -1.140 10.197 1.00 0.00 ? 6 DT A "O5'" 2 +ATOM 1015 C "C5'" . DT A 1 15 B -9.613 0.273 10.294 1.00 0.00 ? 6 DT A "C5'" 2 +ATOM 1016 C "C4'" . DT A 1 15 B -8.402 0.945 9.632 1.00 0.00 ? 6 DT A "C4'" 2 +ATOM 1017 O "O4'" . DT A 1 15 B -7.186 0.501 10.215 1.00 0.00 ? 6 DT A "O4'" 2 +ATOM 1018 C "C3'" . DT A 1 15 B -8.261 0.684 8.121 1.00 0.00 ? 6 DT A "C3'" 2 +ATOM 1019 O "O3'" . DT A 1 15 B -8.822 1.749 7.380 1.00 0.00 ? 6 DT A "O3'" 2 +ATOM 1020 C "C2'" . DT A 1 15 B -6.736 0.632 7.937 1.00 0.00 ? 6 DT A "C2'" 2 +ATOM 1021 C "C1'" . DT A 1 15 B -6.182 0.906 9.323 1.00 0.00 ? 6 DT A "C1'" 2 +ATOM 1022 N N1 . DT A 1 15 B -4.905 0.187 9.513 1.00 0.00 ? 6 DT A N1 2 +ATOM 1023 C C2 . DT A 1 15 B -3.747 0.916 9.286 1.00 0.00 ? 6 DT A C2 2 +ATOM 1024 O O2 . DT A 1 15 B -3.732 2.099 8.984 1.00 0.00 ? 6 DT A O2 2 +ATOM 1025 N N3 . DT A 1 15 B -2.570 0.238 9.386 1.00 0.00 ? 6 DT A N3 2 +ATOM 1026 C C4 . DT A 1 15 B -2.418 -1.091 9.662 1.00 0.00 ? 6 DT A C4 2 +ATOM 1027 O O4 . DT A 1 15 B -1.275 -1.527 9.735 1.00 0.00 ? 6 DT A O4 2 +ATOM 1028 C C5 . DT A 1 15 B -3.673 -1.833 9.829 1.00 0.00 ? 6 DT A C5 2 +ATOM 1029 C C7 . DT A 1 15 B -3.666 -3.340 10.088 1.00 0.00 ? 6 DT A C7 2 +ATOM 1030 C C6 . DT A 1 15 B -4.863 -1.172 9.750 1.00 0.00 ? 6 DT A C6 2 +ATOM 1031 H "H5'" . DT A 1 15 B -9.627 0.577 11.344 1.00 0.00 ? 6 DT A "H5'" 2 +ATOM 1032 H "H5''" . DT A 1 15 B -10.525 0.635 9.814 1.00 0.00 ? 6 DT A "H5''" 2 +ATOM 1033 H "H4'" . DT A 1 15 B -8.484 2.022 9.799 1.00 0.00 ? 6 DT A "H4'" 2 +ATOM 1034 H "H3'" . DT A 1 15 B -8.712 -0.280 7.870 1.00 0.00 ? 6 DT A "H3'" 2 +ATOM 1035 H "H2'" . DT A 1 15 B -6.466 -0.358 7.570 1.00 0.00 ? 6 DT A "H2'" 2 +ATOM 1036 H "H2''" . DT A 1 15 B -6.303 1.397 7.293 1.00 0.00 ? 6 DT A "H2''" 2 +ATOM 1037 H "H1'" . DT A 1 15 B -6.077 1.988 9.432 1.00 0.00 ? 6 DT A "H1'" 2 +ATOM 1038 H H3 . DT A 1 15 B -1.735 0.790 9.261 1.00 0.00 ? 6 DT A H3 2 +ATOM 1039 H H71 . DT A 1 15 B -3.109 -3.848 9.299 1.00 0.00 ? 6 DT A H71 2 +ATOM 1040 H H72 . DT A 1 15 B -3.178 -3.543 11.042 1.00 0.00 ? 6 DT A H72 2 +ATOM 1041 H H73 . DT A 1 15 B -4.674 -3.759 10.124 1.00 0.00 ? 6 DT A H73 2 +ATOM 1042 H H6 . DT A 1 15 B -5.798 -1.707 9.851 1.00 0.00 ? 6 DT A H6 2 +ATOM 1043 P P . DC A 1 16 B -9.192 1.579 5.822 1.00 0.00 ? 7 DC A P 2 +ATOM 1044 O OP1 . DC A 1 16 B -10.515 0.924 5.758 1.00 0.00 ? 7 DC A OP1 2 +ATOM 1045 O OP2 . DC A 1 16 B -8.049 0.956 5.124 1.00 0.00 ? 7 DC A OP2 2 +ATOM 1046 O "O5'" . DC A 1 16 B -9.376 3.088 5.264 1.00 0.00 ? 7 DC A "O5'" 2 +ATOM 1047 C "C5'" . DC A 1 16 B -8.696 4.214 5.804 1.00 0.00 ? 7 DC A "C5'" 2 +ATOM 1048 C "C4'" . DC A 1 16 B -7.186 4.303 5.519 1.00 0.00 ? 7 DC A "C4'" 2 +ATOM 1049 O "O4'" . DC A 1 16 B -6.454 3.249 6.118 1.00 0.00 ? 7 DC A "O4'" 2 +ATOM 1050 C "C3'" . DC A 1 16 B -6.797 4.268 4.034 1.00 0.00 ? 7 DC A "C3'" 2 +ATOM 1051 O "O3'" . DC A 1 16 B -6.628 5.592 3.567 1.00 0.00 ? 7 DC A "O3'" 2 +ATOM 1052 C "C2'" . DC A 1 16 B -5.465 3.508 4.079 1.00 0.00 ? 7 DC A "C2'" 2 +ATOM 1053 C "C1'" . DC A 1 16 B -5.169 3.279 5.558 1.00 0.00 ? 7 DC A "C1'" 2 +ATOM 1054 N N1 . DC A 1 16 B -4.286 2.110 5.735 1.00 0.00 ? 7 DC A N1 2 +ATOM 1055 C C2 . DC A 1 16 B -2.943 2.283 6.074 1.00 0.00 ? 7 DC A C2 2 +ATOM 1056 O O2 . DC A 1 16 B -2.435 3.395 6.151 1.00 0.00 ? 7 DC A O2 2 +ATOM 1057 N N3 . DC A 1 16 B -2.150 1.199 6.287 1.00 0.00 ? 7 DC A N3 2 +ATOM 1058 C C4 . DC A 1 16 B -2.682 -0.004 6.147 1.00 0.00 ? 7 DC A C4 2 +ATOM 1059 N N4 . DC A 1 16 B -1.893 -1.012 6.386 1.00 0.00 ? 7 DC A N4 2 +ATOM 1060 C C5 . DC A 1 16 B -3.997 -0.224 5.648 1.00 0.00 ? 7 DC A C5 2 +ATOM 1061 C C6 . DC A 1 16 B -4.753 0.872 5.437 1.00 0.00 ? 7 DC A C6 2 +ATOM 1062 H "H5'" . DC A 1 16 B -8.867 4.280 6.880 1.00 0.00 ? 7 DC A "H5'" 2 +ATOM 1063 H "H5''" . DC A 1 16 B -9.156 5.094 5.352 1.00 0.00 ? 7 DC A "H5''" 2 +ATOM 1064 H "H4'" . DC A 1 16 B -6.829 5.238 5.960 1.00 0.00 ? 7 DC A "H4'" 2 +ATOM 1065 H "H3'" . DC A 1 16 B -7.544 3.721 3.452 1.00 0.00 ? 7 DC A "H3'" 2 +ATOM 1066 H "H2'" . DC A 1 16 B -5.634 2.574 3.545 1.00 0.00 ? 7 DC A "H2'" 2 +ATOM 1067 H "H2''" . DC A 1 16 B -4.623 3.964 3.609 1.00 0.00 ? 7 DC A "H2''" 2 +ATOM 1068 H "H1'" . DC A 1 16 B -4.752 4.091 6.123 1.00 0.00 ? 7 DC A "H1'" 2 +ATOM 1069 H H41 . DC A 1 16 B -0.953 -0.740 6.636 1.00 0.00 ? 7 DC A H41 2 +ATOM 1070 H H42 . DC A 1 16 B -2.202 -1.959 6.288 1.00 0.00 ? 7 DC A H42 2 +ATOM 1071 H H5 . DC A 1 16 B -4.432 -1.183 5.450 1.00 0.00 ? 7 DC A H5 2 +ATOM 1072 H H6 . DC A 1 16 B -5.743 0.826 5.027 1.00 0.00 ? 7 DC A H6 2 +ATOM 1073 P P . DC A 1 17 B -6.189 5.912 2.056 1.00 0.00 ? 8 DC A P 2 +ATOM 1074 O OP1 . DC A 1 17 B -6.650 7.278 1.728 1.00 0.00 ? 8 DC A OP1 2 +ATOM 1075 O OP2 . DC A 1 17 B -6.585 4.773 1.201 1.00 0.00 ? 8 DC A OP2 2 +ATOM 1076 O "O5'" . DC A 1 17 B -4.581 5.937 2.144 1.00 0.00 ? 8 DC A "O5'" 2 +ATOM 1077 C "C5'" . DC A 1 17 B -3.896 6.917 2.909 1.00 0.00 ? 8 DC A "C5'" 2 +ATOM 1078 C "C4'" . DC A 1 17 B -2.370 6.790 2.744 1.00 0.00 ? 8 DC A "C4'" 2 +ATOM 1079 O "O4'" . DC A 1 17 B -1.878 5.599 3.366 1.00 0.00 ? 8 DC A "O4'" 2 +ATOM 1080 C "C3'" . DC A 1 17 B -1.957 6.753 1.258 1.00 0.00 ? 8 DC A "C3'" 2 +ATOM 1081 O "O3'" . DC A 1 17 B -0.824 7.570 1.033 1.00 0.00 ? 8 DC A "O3'" 2 +ATOM 1082 C "C2'" . DC A 1 17 B -1.625 5.274 1.119 1.00 0.00 ? 8 DC A "C2'" 2 +ATOM 1083 C "C1'" . DC A 1 17 B -0.982 4.977 2.467 1.00 0.00 ? 8 DC A "C1'" 2 +ATOM 1084 N N1 . DC A 1 17 B -0.944 3.504 2.711 1.00 0.00 ? 8 DC A N1 2 +ATOM 1085 C C2 . DC A 1 17 B 0.296 2.909 2.944 1.00 0.00 ? 8 DC A C2 2 +ATOM 1086 O O2 . DC A 1 17 B 1.335 3.550 2.875 1.00 0.00 ? 8 DC A O2 2 +ATOM 1087 N N3 . DC A 1 17 B 0.389 1.587 3.251 1.00 0.00 ? 8 DC A N3 2 +ATOM 1088 C C4 . DC A 1 17 B -0.726 0.884 3.336 1.00 0.00 ? 8 DC A C4 2 +ATOM 1089 N N4 . DC A 1 17 B -0.589 -0.380 3.617 1.00 0.00 ? 8 DC A N4 2 +ATOM 1090 C C5 . DC A 1 17 B -2.007 1.401 3.002 1.00 0.00 ? 8 DC A C5 2 +ATOM 1091 C C6 . DC A 1 17 B -2.081 2.717 2.698 1.00 0.00 ? 8 DC A C6 2 +ATOM 1092 H "H5'" . DC A 1 17 B -4.150 6.819 3.967 1.00 0.00 ? 8 DC A "H5'" 2 +ATOM 1093 H "H5''" . DC A 1 17 B -4.187 7.914 2.572 1.00 0.00 ? 8 DC A "H5''" 2 +ATOM 1094 H "H4'" . DC A 1 17 B -1.907 7.649 3.232 1.00 0.00 ? 8 DC A "H4'" 2 +ATOM 1095 H "H3'" . DC A 1 17 B -2.777 7.052 0.600 1.00 0.00 ? 8 DC A "H3'" 2 +ATOM 1096 H "H2'" . DC A 1 17 B -2.553 4.745 0.926 1.00 0.00 ? 8 DC A "H2'" 2 +ATOM 1097 H "H2''" . DC A 1 17 B -0.958 5.023 0.323 1.00 0.00 ? 8 DC A "H2''" 2 +ATOM 1098 H "H1'" . DC A 1 17 B -0.002 5.504 2.532 1.00 0.00 ? 8 DC A "H1'" 2 +ATOM 1099 H H41 . DC A 1 17 B 0.343 -0.685 3.846 1.00 0.00 ? 8 DC A H41 2 +ATOM 1100 H H42 . DC A 1 17 B -1.390 -0.978 3.658 1.00 0.00 ? 8 DC A H42 2 +ATOM 1101 H H5 . DC A 1 17 B -2.893 0.788 2.983 1.00 0.00 ? 8 DC A H5 2 +ATOM 1102 H H6 . DC A 1 17 B -3.064 3.097 2.427 1.00 0.00 ? 8 DC A H6 2 +ATOM 1103 P P . DT A 1 18 B -0.156 7.694 -0.424 1.00 0.00 ? 9 DT A P 2 +ATOM 1104 O OP1 . DT A 1 18 B 0.496 9.015 -0.536 1.00 0.00 ? 9 DT A OP1 2 +ATOM 1105 O OP2 . DT A 1 18 B -1.150 7.277 -1.436 1.00 0.00 ? 9 DT A OP2 2 +ATOM 1106 O "O5'" . DT A 1 18 B 0.995 6.575 -0.372 1.00 0.00 ? 9 DT A "O5'" 2 +ATOM 1107 C "C5'" . DT A 1 18 B 1.365 5.840 -1.524 1.00 0.00 ? 9 DT A "C5'" 2 +ATOM 1108 C "C4'" . DT A 1 18 B 2.636 5.022 -1.238 1.00 0.00 ? 9 DT A "C4'" 2 +ATOM 1109 O "O4'" . DT A 1 18 B 2.368 3.979 -0.293 1.00 0.00 ? 9 DT A "O4'" 2 +ATOM 1110 C "C3'" . DT A 1 18 B 3.147 4.324 -2.509 1.00 0.00 ? 9 DT A "C3'" 2 +ATOM 1111 O "O3'" . DT A 1 18 B 4.554 4.223 -2.536 1.00 0.00 ? 9 DT A "O3'" 2 +ATOM 1112 C "C2'" . DT A 1 18 B 2.553 2.934 -2.385 1.00 0.00 ? 9 DT A "C2'" 2 +ATOM 1113 C "C1'" . DT A 1 18 B 2.611 2.711 -0.883 1.00 0.00 ? 9 DT A "C1'" 2 +ATOM 1114 N N1 . DT A 1 18 B 1.598 1.729 -0.424 1.00 0.00 ? 9 DT A N1 2 +ATOM 1115 C C2 . DT A 1 18 B 2.048 0.571 0.202 1.00 0.00 ? 9 DT A C2 2 +ATOM 1116 O O2 . DT A 1 18 B 3.222 0.293 0.393 1.00 0.00 ? 9 DT A O2 2 +ATOM 1117 N N3 . DT A 1 18 B 1.094 -0.331 0.576 1.00 0.00 ? 9 DT A N3 2 +ATOM 1118 C C4 . DT A 1 18 B -0.251 -0.233 0.354 1.00 0.00 ? 9 DT A C4 2 +ATOM 1119 O O4 . DT A 1 18 B -0.950 -1.188 0.676 1.00 0.00 ? 9 DT A O4 2 +ATOM 1120 C C5 . DT A 1 18 B -0.681 1.020 -0.274 1.00 0.00 ? 9 DT A C5 2 +ATOM 1121 C C7 . DT A 1 18 B -2.155 1.308 -0.558 1.00 0.00 ? 9 DT A C7 2 +ATOM 1122 C C6 . DT A 1 18 B 0.252 1.942 -0.641 1.00 0.00 ? 9 DT A C6 2 +ATOM 1123 H "H5'" . DT A 1 18 B 1.582 6.536 -2.338 1.00 0.00 ? 9 DT A "H5'" 2 +ATOM 1124 H "H5''" . DT A 1 18 B 0.553 5.179 -1.832 1.00 0.00 ? 9 DT A "H5''" 2 +ATOM 1125 H "H4'" . DT A 1 18 B 3.380 5.736 -0.864 1.00 0.00 ? 9 DT A "H4'" 2 +ATOM 1126 H "H3'" . DT A 1 18 B 2.774 4.807 -3.414 1.00 0.00 ? 9 DT A "H3'" 2 +ATOM 1127 H "H2'" . DT A 1 18 B 1.563 2.953 -2.788 1.00 0.00 ? 9 DT A "H2'" 2 +ATOM 1128 H "H2''" . DT A 1 18 B 3.099 2.164 -2.911 1.00 0.00 ? 9 DT A "H2''" 2 +ATOM 1129 H "H1'" . DT A 1 18 B 3.623 2.374 -0.681 1.00 0.00 ? 9 DT A "H1'" 2 +ATOM 1130 H H3 . DT A 1 18 B 1.434 -1.216 0.920 1.00 0.00 ? 9 DT A H3 2 +ATOM 1131 H H71 . DT A 1 18 B -2.396 2.352 -0.345 1.00 0.00 ? 9 DT A H71 2 +ATOM 1132 H H72 . DT A 1 18 B -2.377 1.105 -1.607 1.00 0.00 ? 9 DT A H72 2 +ATOM 1133 H H73 . DT A 1 18 B -2.801 0.682 0.062 1.00 0.00 ? 9 DT A H73 2 +ATOM 1134 H H6 . DT A 1 18 B -0.047 2.849 -1.143 1.00 0.00 ? 9 DT A H6 2 +ATOM 1135 O "O5'" . DA A 1 1 ? 8.641 -7.017 -0.401 1.00 0.00 ? 1 DA A "O5'" 3 +ATOM 1136 C "C5'" . DA A 1 1 ? 7.303 -6.557 -0.459 1.00 0.00 ? 1 DA A "C5'" 3 +ATOM 1137 C "C4'" . DA A 1 1 ? 7.046 -5.453 0.574 1.00 0.00 ? 1 DA A "C4'" 3 +ATOM 1138 O "O4'" . DA A 1 1 ? 5.688 -5.019 0.553 1.00 0.00 ? 1 DA A "O4'" 3 +ATOM 1139 C "C3'" . DA A 1 1 ? 7.341 -5.892 2.025 1.00 0.00 ? 1 DA A "C3'" 3 +ATOM 1140 O "O3'" . DA A 1 1 ? 8.183 -4.988 2.699 1.00 0.00 ? 1 DA A "O3'" 3 +ATOM 1141 C "C2'" . DA A 1 1 ? 5.957 -5.830 2.648 1.00 0.00 ? 1 DA A "C2'" 3 +ATOM 1142 C "C1'" . DA A 1 1 ? 5.361 -4.655 1.880 1.00 0.00 ? 1 DA A "C1'" 3 +ATOM 1143 N N9 . DA A 1 1 ? 3.900 -4.536 2.053 1.00 0.00 ? 1 DA A N9 3 +ATOM 1144 C C8 . DA A 1 1 ? 3.008 -5.437 2.580 1.00 0.00 ? 1 DA A C8 3 +ATOM 1145 N N7 . DA A 1 1 ? 1.761 -5.056 2.532 1.00 0.00 ? 1 DA A N7 3 +ATOM 1146 C C5 . DA A 1 1 ? 1.844 -3.787 1.947 1.00 0.00 ? 1 DA A C5 3 +ATOM 1147 C C6 . DA A 1 1 ? 0.912 -2.786 1.594 1.00 0.00 ? 1 DA A C6 3 +ATOM 1148 N N6 . DA A 1 1 ? -0.393 -2.892 1.757 1.00 0.00 ? 1 DA A N6 3 +ATOM 1149 N N1 . DA A 1 1 ? 1.302 -1.651 1.003 1.00 0.00 ? 1 DA A N1 3 +ATOM 1150 C C2 . DA A 1 1 ? 2.601 -1.471 0.792 1.00 0.00 ? 1 DA A C2 3 +ATOM 1151 N N3 . DA A 1 1 ? 3.590 -2.312 1.081 1.00 0.00 ? 1 DA A N3 3 +ATOM 1152 C C4 . DA A 1 1 ? 3.143 -3.462 1.661 1.00 0.00 ? 1 DA A C4 3 +ATOM 1153 H "H5'" . DA A 1 1 ? 6.633 -7.399 -0.278 1.00 0.00 ? 1 DA A "H5'" 3 +ATOM 1154 H "H5''" . DA A 1 1 ? 7.110 -6.164 -1.458 1.00 0.00 ? 1 DA A "H5''" 3 +ATOM 1155 H "H4'" . DA A 1 1 ? 7.668 -4.593 0.316 1.00 0.00 ? 1 DA A "H4'" 3 +ATOM 1156 H "H3'" . DA A 1 1 ? 7.706 -6.920 2.100 1.00 0.00 ? 1 DA A "H3'" 3 +ATOM 1157 H "H2'" . DA A 1 1 ? 5.437 -6.762 2.425 1.00 0.00 ? 1 DA A "H2'" 3 +ATOM 1158 H "H2''" . DA A 1 1 ? 5.989 -5.655 3.724 1.00 0.00 ? 1 DA A "H2''" 3 +ATOM 1159 H "H1'" . DA A 1 1 ? 5.857 -3.717 2.134 1.00 0.00 ? 1 DA A "H1'" 3 +ATOM 1160 H H8 . DA A 1 1 ? 3.298 -6.395 2.988 1.00 0.00 ? 1 DA A H8 3 +ATOM 1161 H H61 . DA A 1 1 ? -0.960 -2.109 1.464 1.00 0.00 ? 1 DA A H61 3 +ATOM 1162 H H62 . DA A 1 1 ? -0.768 -3.720 2.185 1.00 0.00 ? 1 DA A H62 3 +ATOM 1163 H H2 . DA A 1 1 ? 2.886 -0.540 0.328 1.00 0.00 ? 1 DA A H2 3 +ATOM 1164 H "HO5'" . DA A 1 1 ? 9.199 -6.344 0.033 1.00 0.00 ? 1 DA A "HO5'" 3 +ATOM 1165 P P . DG A 1 2 ? 9.768 -5.080 2.509 1.00 0.00 ? 2 DG A P 3 +ATOM 1166 O OP1 . DG A 1 2 ? 10.022 -5.323 1.069 1.00 0.00 ? 2 DG A OP1 3 +ATOM 1167 O OP2 . DG A 1 2 ? 10.286 -6.026 3.516 1.00 0.00 ? 2 DG A OP2 3 +ATOM 1168 O "O5'" . DG A 1 2 ? 10.234 -3.590 2.892 1.00 0.00 ? 2 DG A "O5'" 3 +ATOM 1169 C "C5'" . DG A 1 2 ? 10.408 -2.577 1.916 1.00 0.00 ? 2 DG A "C5'" 3 +ATOM 1170 C "C4'" . DG A 1 2 ? 10.048 -1.184 2.464 1.00 0.00 ? 2 DG A "C4'" 3 +ATOM 1171 O "O4'" . DG A 1 2 ? 8.631 -1.050 2.533 1.00 0.00 ? 2 DG A "O4'" 3 +ATOM 1172 C "C3'" . DG A 1 2 ? 10.602 -0.879 3.872 1.00 0.00 ? 2 DG A "C3'" 3 +ATOM 1173 O "O3'" . DG A 1 2 ? 10.911 0.505 3.911 1.00 0.00 ? 2 DG A "O3'" 3 +ATOM 1174 C "C2'" . DG A 1 2 ? 9.405 -1.239 4.743 1.00 0.00 ? 2 DG A "C2'" 3 +ATOM 1175 C "C1'" . DG A 1 2 ? 8.283 -0.715 3.861 1.00 0.00 ? 2 DG A "C1'" 3 +ATOM 1176 N N9 . DG A 1 2 ? 6.955 -1.265 4.176 1.00 0.00 ? 2 DG A N9 3 +ATOM 1177 C C8 . DG A 1 2 ? 6.598 -2.541 4.529 1.00 0.00 ? 2 DG A C8 3 +ATOM 1178 N N7 . DG A 1 2 ? 5.307 -2.749 4.551 1.00 0.00 ? 2 DG A N7 3 +ATOM 1179 C C5 . DG A 1 2 ? 4.768 -1.509 4.178 1.00 0.00 ? 2 DG A C5 3 +ATOM 1180 C C6 . DG A 1 2 ? 3.420 -1.033 4.024 1.00 0.00 ? 2 DG A C6 3 +ATOM 1181 O O6 . DG A 1 2 ? 2.369 -1.643 4.167 1.00 0.00 ? 2 DG A O6 3 +ATOM 1182 N N1 . DG A 1 2 ? 3.320 0.296 3.643 1.00 0.00 ? 2 DG A N1 3 +ATOM 1183 C C2 . DG A 1 2 ? 4.402 1.074 3.408 1.00 0.00 ? 2 DG A C2 3 +ATOM 1184 N N2 . DG A 1 2 ? 4.198 2.340 3.199 1.00 0.00 ? 2 DG A N2 3 +ATOM 1185 N N3 . DG A 1 2 ? 5.658 0.676 3.529 1.00 0.00 ? 2 DG A N3 3 +ATOM 1186 C C4 . DG A 1 2 ? 5.780 -0.621 3.911 1.00 0.00 ? 2 DG A C4 3 +ATOM 1187 H "H5'" . DG A 1 2 ? 9.792 -2.747 1.029 1.00 0.00 ? 2 DG A "H5'" 3 +ATOM 1188 H "H5''" . DG A 1 2 ? 11.455 -2.584 1.609 1.00 0.00 ? 2 DG A "H5''" 3 +ATOM 1189 H "H4'" . DG A 1 2 ? 10.423 -0.451 1.747 1.00 0.00 ? 2 DG A "H4'" 3 +ATOM 1190 H "H3'" . DG A 1 2 ? 11.466 -1.494 4.122 1.00 0.00 ? 2 DG A "H3'" 3 +ATOM 1191 H "H2'" . DG A 1 2 ? 9.372 -2.320 4.853 1.00 0.00 ? 2 DG A "H2'" 3 +ATOM 1192 H "H2''" . DG A 1 2 ? 9.420 -0.781 5.730 1.00 0.00 ? 2 DG A "H2''" 3 +ATOM 1193 H "H1'" . DG A 1 2 ? 8.261 0.373 3.946 1.00 0.00 ? 2 DG A "H1'" 3 +ATOM 1194 H H8 . DG A 1 2 ? 7.325 -3.309 4.750 1.00 0.00 ? 2 DG A H8 3 +ATOM 1195 H H1 . DG A 1 2 ? 2.398 0.703 3.547 1.00 0.00 ? 2 DG A H1 3 +ATOM 1196 H H21 . DG A 1 2 ? 3.269 2.729 3.220 1.00 0.00 ? 2 DG A H21 3 +ATOM 1197 H H22 . DG A 1 2 ? 5.033 2.896 3.186 1.00 0.00 ? 2 DG A H22 3 +ATOM 1198 P P . DG A 1 3 ? 11.281 1.293 5.263 1.00 0.00 ? 3 DG A P 3 +ATOM 1199 O OP1 . DG A 1 3 ? 12.258 2.345 4.911 1.00 0.00 ? 3 DG A OP1 3 +ATOM 1200 O OP2 . DG A 1 3 ? 11.610 0.303 6.310 1.00 0.00 ? 3 DG A OP2 3 +ATOM 1201 O "O5'" . DG A 1 3 ? 9.876 2.009 5.633 1.00 0.00 ? 3 DG A "O5'" 3 +ATOM 1202 C "C5'" . DG A 1 3 ? 9.367 3.063 4.823 1.00 0.00 ? 3 DG A "C5'" 3 +ATOM 1203 C "C4'" . DG A 1 3 ? 8.094 3.731 5.378 1.00 0.00 ? 3 DG A "C4'" 3 +ATOM 1204 O "O4'" . DG A 1 3 ? 6.926 2.916 5.300 1.00 0.00 ? 3 DG A "O4'" 3 +ATOM 1205 C "C3'" . DG A 1 3 ? 8.208 4.229 6.831 1.00 0.00 ? 3 DG A "C3'" 3 +ATOM 1206 O "O3'" . DG A 1 3 ? 7.908 5.610 6.907 1.00 0.00 ? 3 DG A "O3'" 3 +ATOM 1207 C "C2'" . DG A 1 3 ? 7.135 3.382 7.509 1.00 0.00 ? 3 DG A "C2'" 3 +ATOM 1208 C "C1'" . DG A 1 3 ? 6.095 3.236 6.404 1.00 0.00 ? 3 DG A "C1'" 3 +ATOM 1209 N N9 . DG A 1 3 ? 5.151 2.121 6.649 1.00 0.00 ? 3 DG A N9 3 +ATOM 1210 C C8 . DG A 1 3 ? 5.458 0.816 6.936 1.00 0.00 ? 3 DG A C8 3 +ATOM 1211 N N7 . DG A 1 3 ? 4.429 0.023 7.028 1.00 0.00 ? 3 DG A N7 3 +ATOM 1212 C C5 . DG A 1 3 ? 3.343 0.869 6.794 1.00 0.00 ? 3 DG A C5 3 +ATOM 1213 C C6 . DG A 1 3 ? 1.932 0.610 6.728 1.00 0.00 ? 3 DG A C6 3 +ATOM 1214 O O6 . DG A 1 3 ? 1.341 -0.453 6.856 1.00 0.00 ? 3 DG A O6 3 +ATOM 1215 N N1 . DG A 1 3 ? 1.158 1.727 6.501 1.00 0.00 ? 3 DG A N1 3 +ATOM 1216 C C2 . DG A 1 3 ? 1.682 2.954 6.275 1.00 0.00 ? 3 DG A C2 3 +ATOM 1217 N N2 . DG A 1 3 ? 0.820 3.917 6.097 1.00 0.00 ? 3 DG A N2 3 +ATOM 1218 N N3 . DG A 1 3 ? 2.984 3.241 6.313 1.00 0.00 ? 3 DG A N3 3 +ATOM 1219 C C4 . DG A 1 3 ? 3.774 2.159 6.578 1.00 0.00 ? 3 DG A C4 3 +ATOM 1220 H "H5'" . DG A 1 3 ? 9.154 2.691 3.819 1.00 0.00 ? 3 DG A "H5'" 3 +ATOM 1221 H "H5''" . DG A 1 3 ? 10.123 3.847 4.743 1.00 0.00 ? 3 DG A "H5''" 3 +ATOM 1222 H "H4'" . DG A 1 3 ? 7.900 4.593 4.735 1.00 0.00 ? 3 DG A "H4'" 3 +ATOM 1223 H "H3'" . DG A 1 3 ? 9.198 4.022 7.245 1.00 0.00 ? 3 DG A "H3'" 3 +ATOM 1224 H "H2'" . DG A 1 3 ? 7.543 2.421 7.795 1.00 0.00 ? 3 DG A "H2'" 3 +ATOM 1225 H "H2''" . DG A 1 3 ? 6.752 3.869 8.393 1.00 0.00 ? 3 DG A "H2''" 3 +ATOM 1226 H "H1'" . DG A 1 3 ? 5.582 4.184 6.246 1.00 0.00 ? 3 DG A "H1'" 3 +ATOM 1227 H H8 . DG A 1 3 ? 6.469 0.461 7.061 1.00 0.00 ? 3 DG A H8 3 +ATOM 1228 H H1 . DG A 1 3 ? 0.154 1.581 6.489 1.00 0.00 ? 3 DG A H1 3 +ATOM 1229 H H21 . DG A 1 3 ? -0.172 3.737 6.165 1.00 0.00 ? 3 DG A H21 3 +ATOM 1230 H H22 . DG A 1 3 ? 1.210 4.835 5.995 1.00 0.00 ? 3 DG A H22 3 +ATOM 1231 P P . DA A 1 4 ? 8.032 6.439 8.282 1.00 0.00 ? 4 DA A P 3 +ATOM 1232 O OP1 . DA A 1 4 ? 8.727 7.711 7.988 1.00 0.00 ? 4 DA A OP1 3 +ATOM 1233 O OP2 . DA A 1 4 ? 8.546 5.541 9.337 1.00 0.00 ? 4 DA A OP2 3 +ATOM 1234 O "O5'" . DA A 1 4 ? 6.493 6.774 8.612 1.00 0.00 ? 4 DA A "O5'" 3 +ATOM 1235 C "C5'" . DA A 1 4 ? 5.762 7.672 7.793 1.00 0.00 ? 4 DA A "C5'" 3 +ATOM 1236 C "C4'" . DA A 1 4 ? 4.285 7.768 8.202 1.00 0.00 ? 4 DA A "C4'" 3 +ATOM 1237 O "O4'" . DA A 1 4 ? 3.653 6.497 8.106 1.00 0.00 ? 4 DA A "O4'" 3 +ATOM 1238 C "C3'" . DA A 1 4 ? 4.043 8.308 9.623 1.00 0.00 ? 4 DA A "C3'" 3 +ATOM 1239 O "O3'" . DA A 1 4 ? 3.004 9.268 9.586 1.00 0.00 ? 4 DA A "O3'" 3 +ATOM 1240 C "C2'" . DA A 1 4 ? 3.645 7.035 10.367 1.00 0.00 ? 4 DA A "C2'" 3 +ATOM 1241 C "C1'" . DA A 1 4 ? 2.897 6.272 9.279 1.00 0.00 ? 4 DA A "C1'" 3 +ATOM 1242 N N9 . DA A 1 4 ? 2.906 4.817 9.531 1.00 0.00 ? 4 DA A N9 3 +ATOM 1243 C C8 . DA A 1 4 ? 3.976 3.981 9.753 1.00 0.00 ? 4 DA A C8 3 +ATOM 1244 N N7 . DA A 1 4 ? 3.663 2.719 9.863 1.00 0.00 ? 4 DA A N7 3 +ATOM 1245 C C5 . DA A 1 4 ? 2.274 2.727 9.706 1.00 0.00 ? 4 DA A C5 3 +ATOM 1246 C C6 . DA A 1 4 ? 1.265 1.740 9.693 1.00 0.00 ? 4 DA A C6 3 +ATOM 1247 N N6 . DA A 1 4 ? 1.482 0.448 9.839 1.00 0.00 ? 4 DA A N6 3 +ATOM 1248 N N1 . DA A 1 4 ? -0.016 2.071 9.507 1.00 0.00 ? 4 DA A N1 3 +ATOM 1249 C C2 . DA A 1 4 ? -0.322 3.353 9.343 1.00 0.00 ? 4 DA A C2 3 +ATOM 1250 N N3 . DA A 1 4 ? 0.514 4.383 9.349 1.00 0.00 ? 4 DA A N3 3 +ATOM 1251 C C4 . DA A 1 4 ? 1.808 4.002 9.526 1.00 0.00 ? 4 DA A C4 3 +ATOM 1252 H "H5'" . DA A 1 4 ? 5.799 7.338 6.753 1.00 0.00 ? 4 DA A "H5'" 3 +ATOM 1253 H "H5''" . DA A 1 4 ? 6.204 8.669 7.851 1.00 0.00 ? 4 DA A "H5''" 3 +ATOM 1254 H "H4'" . DA A 1 4 ? 3.803 8.433 7.482 1.00 0.00 ? 4 DA A "H4'" 3 +ATOM 1255 H "H3'" . DA A 1 4 ? 4.954 8.747 10.038 1.00 0.00 ? 4 DA A "H3'" 3 +ATOM 1256 H "H2'" . DA A 1 4 ? 4.547 6.516 10.686 1.00 0.00 ? 4 DA A "H2'" 3 +ATOM 1257 H "H2''" . DA A 1 4 ? 3.013 7.224 11.235 1.00 0.00 ? 4 DA A "H2''" 3 +ATOM 1258 H "H1'" . DA A 1 4 ? 1.889 6.681 9.153 1.00 0.00 ? 4 DA A "H1'" 3 +ATOM 1259 H H8 . DA A 1 4 ? 4.996 4.321 9.846 1.00 0.00 ? 4 DA A H8 3 +ATOM 1260 H H61 . DA A 1 4 ? 0.683 -0.171 9.826 1.00 0.00 ? 4 DA A H61 3 +ATOM 1261 H H62 . DA A 1 4 ? 2.423 0.117 9.966 1.00 0.00 ? 4 DA A H62 3 +ATOM 1262 H H2 . DA A 1 4 ? -1.362 3.593 9.204 1.00 0.00 ? 4 DA A H2 3 +ATOM 1263 P P . DT A 1 5 ? 2.528 10.063 10.898 1.00 0.00 ? 5 DT A P 3 +ATOM 1264 O OP1 . DT A 1 5 ? 2.308 11.478 10.536 1.00 0.00 ? 5 DT A OP1 3 +ATOM 1265 O OP2 . DT A 1 5 ? 3.430 9.716 12.017 1.00 0.00 ? 5 DT A OP2 3 +ATOM 1266 O "O5'" . DT A 1 5 ? 1.103 9.377 11.163 1.00 0.00 ? 5 DT A "O5'" 3 +ATOM 1267 C "C5'" . DT A 1 5 ? 0.511 9.353 12.448 1.00 0.00 ? 5 DT A "C5'" 3 +ATOM 1268 C "C4'" . DT A 1 5 ? -0.823 8.589 12.391 1.00 0.00 ? 5 DT A "C4'" 3 +ATOM 1269 O "O4'" . DT A 1 5 ? -0.589 7.257 11.928 1.00 0.00 ? 5 DT A "O4'" 3 +ATOM 1270 C "C3'" . DT A 1 5 ? -1.473 8.476 13.787 1.00 0.00 ? 5 DT A "C3'" 3 +ATOM 1271 O "O3'" . DT A 1 5 ? -2.883 8.555 13.699 1.00 0.00 ? 5 DT A "O3'" 3 +ATOM 1272 C "C2'" . DT A 1 5 ? -1.088 7.051 14.158 1.00 0.00 ? 5 DT A "C2'" 3 +ATOM 1273 C "C1'" . DT A 1 5 ? -1.225 6.364 12.808 1.00 0.00 ? 5 DT A "C1'" 3 +ATOM 1274 N N1 . DT A 1 5 ? -0.535 5.043 12.797 1.00 0.00 ? 5 DT A N1 3 +ATOM 1275 C C2 . DT A 1 5 ? -1.352 3.928 12.641 1.00 0.00 ? 5 DT A C2 3 +ATOM 1276 O O2 . DT A 1 5 ? -2.569 3.968 12.553 1.00 0.00 ? 5 DT A O2 3 +ATOM 1277 N N3 . DT A 1 5 ? -0.740 2.709 12.632 1.00 0.00 ? 5 DT A N3 3 +ATOM 1278 C C4 . DT A 1 5 ? 0.597 2.473 12.784 1.00 0.00 ? 5 DT A C4 3 +ATOM 1279 O O4 . DT A 1 5 ? 0.974 1.309 12.796 1.00 0.00 ? 5 DT A O4 3 +ATOM 1280 C C5 . DT A 1 5 ? 1.424 3.669 12.955 1.00 0.00 ? 5 DT A C5 3 +ATOM 1281 C C7 . DT A 1 5 ? 2.937 3.566 13.156 1.00 0.00 ? 5 DT A C7 3 +ATOM 1282 C C6 . DT A 1 5 ? 0.839 4.898 12.973 1.00 0.00 ? 5 DT A C6 3 +ATOM 1283 H "H5'" . DT A 1 5 ? 0.325 10.374 12.790 1.00 0.00 ? 5 DT A "H5'" 3 +ATOM 1284 H "H5''" . DT A 1 5 ? 1.177 8.856 13.158 1.00 0.00 ? 5 DT A "H5''" 3 +ATOM 1285 H "H4'" . DT A 1 5 ? -1.495 9.108 11.704 1.00 0.00 ? 5 DT A "H4'" 3 +ATOM 1286 H "H3'" . DT A 1 5 ? -1.031 9.173 14.504 1.00 0.00 ? 5 DT A "H3'" 3 +ATOM 1287 H "H2'" . DT A 1 5 ? -0.038 7.091 14.447 1.00 0.00 ? 5 DT A "H2'" 3 +ATOM 1288 H "H2''" . DT A 1 5 ? -1.693 6.562 14.942 1.00 0.00 ? 5 DT A "H2''" 3 +ATOM 1289 H "H1'" . DT A 1 5 ? -2.290 6.325 12.529 1.00 0.00 ? 5 DT A "H1'" 3 +ATOM 1290 H H3 . DT A 1 5 ? -1.360 1.913 12.572 1.00 0.00 ? 5 DT A H3 3 +ATOM 1291 H H71 . DT A 1 5 ? 3.175 3.604 14.219 1.00 0.00 ? 5 DT A H71 3 +ATOM 1292 H H72 . DT A 1 5 ? 3.317 2.627 12.746 1.00 0.00 ? 5 DT A H72 3 +ATOM 1293 H H73 . DT A 1 5 ? 3.456 4.383 12.650 1.00 0.00 ? 5 DT A H73 3 +ATOM 1294 H H6 . DT A 1 5 ? 1.489 5.737 13.204 1.00 0.00 ? 5 DT A H6 3 +ATOM 1295 P P . DC A 1 6 ? -3.712 9.774 14.347 1.00 0.00 ? 6 DC A P 3 +ATOM 1296 O OP1 . DC A 1 6 ? -4.912 10.013 13.519 1.00 0.00 ? 6 DC A OP1 3 +ATOM 1297 O OP2 . DC A 1 6 ? -2.778 10.886 14.628 1.00 0.00 ? 6 DC A OP2 3 +ATOM 1298 O "O5'" . DC A 1 6 ? -4.190 9.155 15.754 1.00 0.00 ? 6 DC A "O5'" 3 +ATOM 1299 C "C5'" . DC A 1 6 ? -3.278 8.864 16.801 1.00 0.00 ? 6 DC A "C5'" 3 +ATOM 1300 C "C4'" . DC A 1 6 ? -3.581 7.473 17.381 1.00 0.00 ? 6 DC A "C4'" 3 +ATOM 1301 O "O4'" . DC A 1 6 ? -3.379 6.479 16.367 1.00 0.00 ? 6 DC A "O4'" 3 +ATOM 1302 C "C3'" . DC A 1 6 ? -2.645 7.130 18.569 1.00 0.00 ? 6 DC A "C3'" 3 +ATOM 1303 O "O3'" . DC A 1 6 ? -3.336 6.496 19.621 1.00 0.00 ? 6 DC A "O3'" 3 +ATOM 1304 C "C2'" . DC A 1 6 ? -1.693 6.155 17.900 1.00 0.00 ? 6 DC A "C2'" 3 +ATOM 1305 C "C1'" . DC A 1 6 ? -2.660 5.430 16.959 1.00 0.00 ? 6 DC A "C1'" 3 +ATOM 1306 N N1 . DC A 1 6 ? -1.980 4.399 16.136 1.00 0.00 ? 6 DC A N1 3 +ATOM 1307 C C2 . DC A 1 6 ? -2.415 3.066 16.220 1.00 0.00 ? 6 DC A C2 3 +ATOM 1308 O O2 . DC A 1 6 ? -3.598 2.794 16.388 1.00 0.00 ? 6 DC A O2 3 +ATOM 1309 N N3 . DC A 1 6 ? -1.524 2.034 16.134 1.00 0.00 ? 6 DC A N3 3 +ATOM 1310 C C4 . DC A 1 6 ? -0.237 2.323 16.009 1.00 0.00 ? 6 DC A C4 3 +ATOM 1311 N N4 . DC A 1 6 ? 0.596 1.326 15.941 1.00 0.00 ? 6 DC A N4 3 +ATOM 1312 C C5 . DC A 1 6 ? 0.231 3.658 15.884 1.00 0.00 ? 6 DC A C5 3 +ATOM 1313 C C6 . DC A 1 6 ? -0.662 4.624 15.917 1.00 0.00 ? 6 DC A C6 3 +ATOM 1314 H "H5'" . DC A 1 6 ? -3.403 9.619 17.578 1.00 0.00 ? 6 DC A "H5'" 3 +ATOM 1315 H "H5''" . DC A 1 6 ? -2.236 8.881 16.476 1.00 0.00 ? 6 DC A "H5''" 3 +ATOM 1316 H "H4'" . DC A 1 6 ? -4.620 7.450 17.714 1.00 0.00 ? 6 DC A "H4'" 3 +ATOM 1317 H "H3'" . DC A 1 6 ? -2.095 8.012 18.902 1.00 0.00 ? 6 DC A "H3'" 3 +ATOM 1318 H "H2'" . DC A 1 6 ? -0.986 6.806 17.402 1.00 0.00 ? 6 DC A "H2'" 3 +ATOM 1319 H "H2''" . DC A 1 6 ? -1.097 5.447 18.486 1.00 0.00 ? 6 DC A "H2''" 3 +ATOM 1320 H "H1'" . DC A 1 6 ? -3.416 4.959 17.499 1.00 0.00 ? 6 DC A "H1'" 3 +ATOM 1321 H H41 . DC A 1 6 ? 0.187 0.413 16.061 1.00 0.00 ? 6 DC A H41 3 +ATOM 1322 H H42 . DC A 1 6 ? 1.575 1.483 15.799 1.00 0.00 ? 6 DC A H42 3 +ATOM 1323 H H5 . DC A 1 6 ? 1.175 4.142 15.918 1.00 0.00 ? 6 DC A H5 3 +ATOM 1324 H H6 . DC A 1 6 ? -0.213 5.594 15.890 1.00 0.00 ? 6 DC A H6 3 +ATOM 1325 P P . DC A 1 7 ? -2.707 6.447 21.096 1.00 0.00 ? 7 DC A P 3 +ATOM 1326 O OP1 . DC A 1 7 ? -3.083 7.690 21.797 1.00 0.00 ? 7 DC A OP1 3 +ATOM 1327 O OP2 . DC A 1 7 ? -1.285 6.064 20.968 1.00 0.00 ? 7 DC A OP2 3 +ATOM 1328 O "O5'" . DC A 1 7 ? -3.492 5.209 21.751 1.00 0.00 ? 7 DC A "O5'" 3 +ATOM 1329 C "C5'" . DC A 1 7 ? -4.865 5.278 22.093 1.00 0.00 ? 7 DC A "C5'" 3 +ATOM 1330 C "C4'" . DC A 1 7 ? -5.506 3.893 22.347 1.00 0.00 ? 7 DC A "C4'" 3 +ATOM 1331 O "O4'" . DC A 1 7 ? -5.628 3.144 21.115 1.00 0.00 ? 7 DC A "O4'" 3 +ATOM 1332 C "C3'" . DC A 1 7 ? -4.689 2.992 23.298 1.00 0.00 ? 7 DC A "C3'" 3 +ATOM 1333 O "O3'" . DC A 1 7 ? -5.518 2.039 23.929 1.00 0.00 ? 7 DC A "O3'" 3 +ATOM 1334 C "C2'" . DC A 1 7 ? -3.814 2.256 22.293 1.00 0.00 ? 7 DC A "C2'" 3 +ATOM 1335 C "C1'" . DC A 1 7 ? -4.786 1.982 21.141 1.00 0.00 ? 7 DC A "C1'" 3 +ATOM 1336 N N1 . DC A 1 7 ? -3.963 1.820 19.908 1.00 0.00 ? 7 DC A N1 3 +ATOM 1337 C C2 . DC A 1 7 ? -3.638 0.492 19.632 1.00 0.00 ? 7 DC A C2 3 +ATOM 1338 O O2 . DC A 1 7 ? -4.488 -0.388 19.679 1.00 0.00 ? 7 DC A O2 3 +ATOM 1339 N N3 . DC A 1 7 ? -2.361 0.126 19.354 1.00 0.00 ? 7 DC A N3 3 +ATOM 1340 C C4 . DC A 1 7 ? -1.450 1.075 19.266 1.00 0.00 ? 7 DC A C4 3 +ATOM 1341 N N4 . DC A 1 7 ? -0.214 0.690 19.135 1.00 0.00 ? 7 DC A N4 3 +ATOM 1342 C C5 . DC A 1 7 ? -1.754 2.455 19.396 1.00 0.00 ? 7 DC A C5 3 +ATOM 1343 C C6 . DC A 1 7 ? -3.035 2.798 19.631 1.00 0.00 ? 7 DC A C6 3 +ATOM 1344 H "H5'" . DC A 1 7 ? -5.435 5.764 21.299 1.00 0.00 ? 7 DC A "H5'" 3 +ATOM 1345 H "H5''" . DC A 1 7 ? -4.958 5.881 22.999 1.00 0.00 ? 7 DC A "H5''" 3 +ATOM 1346 H "H4'" . DC A 1 7 ? -6.478 4.167 22.798 1.00 0.00 ? 7 DC A "H4'" 3 +ATOM 1347 H "H3'" . DC A 1 7 ? -4.077 3.564 24.006 1.00 0.00 ? 7 DC A "H3'" 3 +ATOM 1348 H "H2'" . DC A 1 7 ? -3.029 2.950 22.043 1.00 0.00 ? 7 DC A "H2'" 3 +ATOM 1349 H "H2''" . DC A 1 7 ? -3.275 1.368 22.588 1.00 0.00 ? 7 DC A "H2''" 3 +ATOM 1350 H "H1'" . DC A 1 7 ? -5.351 1.048 21.373 1.00 0.00 ? 7 DC A "H1'" 3 +ATOM 1351 H H41 . DC A 1 7 ? -0.080 -0.308 19.113 1.00 0.00 ? 7 DC A H41 3 +ATOM 1352 H H42 . DC A 1 7 ? 0.524 1.347 19.333 1.00 0.00 ? 7 DC A H42 3 +ATOM 1353 H H5 . DC A 1 7 ? -1.012 3.212 19.506 1.00 0.00 ? 7 DC A H5 3 +ATOM 1354 H H6 . DC A 1 7 ? -3.246 3.857 19.750 1.00 0.00 ? 7 DC A H6 3 +ATOM 1355 P P . DU A 1 8 ? -6.082 2.312 25.400 1.00 0.00 ? 8 DU A P 3 +ATOM 1356 O OP1 . DU A 1 8 ? -7.123 1.311 25.714 1.00 0.00 ? 8 DU A OP1 3 +ATOM 1357 O OP2 . DU A 1 8 ? -6.353 3.757 25.538 1.00 0.00 ? 8 DU A OP2 3 +ATOM 1358 O "O5'" . DU A 1 8 ? -4.763 1.941 26.237 1.00 0.00 ? 8 DU A "O5'" 3 +ATOM 1359 C "C5'" . DU A 1 8 ? -4.420 0.585 26.475 1.00 0.00 ? 8 DU A "C5'" 3 +ATOM 1360 C "C4'" . DU A 1 8 ? -2.918 0.437 26.755 1.00 0.00 ? 8 DU A "C4'" 3 +ATOM 1361 O "O4'" . DU A 1 8 ? -2.177 0.507 25.528 1.00 0.00 ? 8 DU A "O4'" 3 +ATOM 1362 C "C3'" . DU A 1 8 ? -2.323 1.518 27.687 1.00 0.00 ? 8 DU A "C3'" 3 +ATOM 1363 O "O3'" . DU A 1 8 ? -1.465 0.906 28.662 1.00 0.00 ? 8 DU A "O3'" 3 +ATOM 1364 C "C2'" . DU A 1 8 ? -1.535 2.384 26.693 1.00 0.00 ? 8 DU A "C2'" 3 +ATOM 1365 C "C1'" . DU A 1 8 ? -1.031 1.310 25.737 1.00 0.00 ? 8 DU A "C1'" 3 +ATOM 1366 N N1 . DU A 1 8 ? -0.421 1.717 24.460 1.00 0.00 ? 8 DU A N1 3 +ATOM 1367 C C2 . DU A 1 8 ? 0.344 0.738 23.824 1.00 0.00 ? 8 DU A C2 3 +ATOM 1368 O O2 . DU A 1 8 ? 0.646 -0.336 24.321 1.00 0.00 ? 8 DU A O2 3 +ATOM 1369 N N3 . DU A 1 8 ? 0.834 1.048 22.582 1.00 0.00 ? 8 DU A N3 3 +ATOM 1370 C C4 . DU A 1 8 ? 0.664 2.243 21.933 1.00 0.00 ? 8 DU A C4 3 +ATOM 1371 O O4 . DU A 1 8 ? 1.190 2.395 20.836 1.00 0.00 ? 8 DU A O4 3 +ATOM 1372 C C5 . DU A 1 8 ? -0.126 3.224 22.650 1.00 0.00 ? 8 DU A C5 3 +ATOM 1373 C C6 . DU A 1 8 ? -0.649 2.952 23.874 1.00 0.00 ? 8 DU A C6 3 +ATOM 1374 H "H5'" . DU A 1 8 ? -4.655 -0.049 25.616 1.00 0.00 ? 8 DU A "H5'" 3 +ATOM 1375 H "H5''" . DU A 1 8 ? -4.983 0.225 27.337 1.00 0.00 ? 8 DU A "H5''" 3 +ATOM 1376 H "H4'" . DU A 1 8 ? -2.734 -0.558 27.188 1.00 0.00 ? 8 DU A "H4'" 3 +ATOM 1377 H "H3'" . DU A 1 8 ? -3.145 2.078 28.158 1.00 0.00 ? 8 DU A "H3'" 3 +ATOM 1378 H "H2'" . DU A 1 8 ? -2.257 3.052 26.214 1.00 0.00 ? 8 DU A "H2'" 3 +ATOM 1379 H "H2''" . DU A 1 8 ? -0.719 2.948 27.164 1.00 0.00 ? 8 DU A "H2''" 3 +ATOM 1380 H "H1'" . DU A 1 8 ? -0.345 0.668 26.314 1.00 0.00 ? 8 DU A "H1'" 3 +ATOM 1381 H H3 . DU A 1 8 ? 1.317 0.310 22.091 1.00 0.00 ? 8 DU A H3 3 +ATOM 1382 H H5 . DU A 1 8 ? -0.297 4.183 22.189 1.00 0.00 ? 8 DU A H5 3 +ATOM 1383 H H6 . DU A 1 8 ? -1.228 3.740 24.332 1.00 0.00 ? 8 DU A H6 3 +ATOM 1384 P P . DT A 1 9 ? -1.151 1.876 29.925 1.00 0.00 ? 9 DT A P 3 +ATOM 1385 O OP1 . DT A 1 9 ? -2.328 1.810 30.818 1.00 0.00 ? 9 DT A OP1 3 +ATOM 1386 O OP2 . DT A 1 9 ? -0.686 3.200 29.455 1.00 0.00 ? 9 DT A OP2 3 +ATOM 1387 O "O5'" . DT A 1 9 ? 0.068 1.124 30.672 1.00 0.00 ? 9 DT A "O5'" 3 +ATOM 1388 C "C5'" . DT A 1 9 ? 1.428 1.239 30.268 1.00 0.00 ? 9 DT A "C5'" 3 +ATOM 1389 C "C4'" . DT A 1 9 ? 1.730 0.753 28.833 1.00 0.00 ? 9 DT A "C4'" 3 +ATOM 1390 O "O4'" . DT A 1 9 ? 1.340 1.751 27.903 1.00 0.00 ? 9 DT A "O4'" 3 +ATOM 1391 C "C3'" . DT A 1 9 ? 3.239 0.510 28.610 1.00 0.00 ? 9 DT A "C3'" 3 +ATOM 1392 O "O3'" . DT A 1 9 ? 3.525 -0.848 28.335 1.00 0.00 ? 9 DT A "O3'" 3 +ATOM 1393 C "C2'" . DT A 1 9 ? 3.586 1.284 27.333 1.00 0.00 ? 9 DT A "C2'" 3 +ATOM 1394 C "C1'" . DT A 1 9 ? 2.257 1.830 26.839 1.00 0.00 ? 9 DT A "C1'" 3 +ATOM 1395 N N1 . DT A 1 9 ? 2.386 3.234 26.335 1.00 0.00 ? 9 DT A N1 3 +ATOM 1396 C C2 . DT A 1 9 ? 2.332 4.255 27.292 1.00 0.00 ? 9 DT A C2 3 +ATOM 1397 O O2 . DT A 1 9 ? 2.505 4.108 28.493 1.00 0.00 ? 9 DT A O2 3 +ATOM 1398 N N3 . DT A 1 9 ? 2.168 5.531 26.825 1.00 0.00 ? 9 DT A N3 3 +ATOM 1399 C C4 . DT A 1 9 ? 2.229 5.917 25.512 1.00 0.00 ? 9 DT A C4 3 +ATOM 1400 O O4 . DT A 1 9 ? 2.067 7.102 25.257 1.00 0.00 ? 9 DT A O4 3 +ATOM 1401 C C5 . DT A 1 9 ? 2.549 4.845 24.567 1.00 0.00 ? 9 DT A C5 3 +ATOM 1402 C C7 . DT A 1 9 ? 2.788 5.160 23.088 1.00 0.00 ? 9 DT A C7 3 +ATOM 1403 C C6 . DT A 1 9 ? 2.621 3.556 25.003 1.00 0.00 ? 9 DT A C6 3 +ATOM 1404 H "H5'" . DT A 1 9 ? 1.994 0.616 30.961 1.00 0.00 ? 9 DT A "H5'" 3 +ATOM 1405 H "H5''" . DT A 1 9 ? 1.772 2.268 30.395 1.00 0.00 ? 9 DT A "H5''" 3 +ATOM 1406 H "H4'" . DT A 1 9 ? 1.162 -0.161 28.660 1.00 0.00 ? 9 DT A "H4'" 3 +ATOM 1407 H "H3'" . DT A 1 9 ? 3.847 0.887 29.437 1.00 0.00 ? 9 DT A "H3'" 3 +ATOM 1408 H "H2'" . DT A 1 9 ? 4.259 2.110 27.553 1.00 0.00 ? 9 DT A "H2'" 3 +ATOM 1409 H "H2''" . DT A 1 9 ? 4.052 0.661 26.572 1.00 0.00 ? 9 DT A "H2''" 3 +ATOM 1410 H "H1'" . DT A 1 9 ? 1.856 1.117 26.117 1.00 0.00 ? 9 DT A "H1'" 3 +ATOM 1411 H H3 . DT A 1 9 ? 2.036 6.243 27.514 1.00 0.00 ? 9 DT A H3 3 +ATOM 1412 H H71 . DT A 1 9 ? 1.887 5.607 22.660 1.00 0.00 ? 9 DT A H71 3 +ATOM 1413 H H72 . DT A 1 9 ? 3.604 5.879 22.992 1.00 0.00 ? 9 DT A H72 3 +ATOM 1414 H H73 . DT A 1 9 ? 3.040 4.276 22.500 1.00 0.00 ? 9 DT A H73 3 +ATOM 1415 H H6 . DT A 1 9 ? 2.941 2.827 24.272 1.00 0.00 ? 9 DT A H6 3 +ATOM 1416 P P . DT A 1 10 B 3.472 -1.968 29.481 1.00 0.00 ? 1 DT A P 3 +ATOM 1417 O OP1 . DT A 1 10 B 2.077 -2.057 29.969 1.00 0.00 ? 1 DT A OP1 3 +ATOM 1418 O OP2 . DT A 1 10 B 4.579 -1.700 30.423 1.00 0.00 ? 1 DT A OP2 3 +ATOM 1419 O "O5'" . DT A 1 10 B 3.783 -3.318 28.668 1.00 0.00 ? 1 DT A "O5'" 3 +ATOM 1420 C "C5'" . DT A 1 10 B 5.048 -3.576 28.087 1.00 0.00 ? 1 DT A "C5'" 3 +ATOM 1421 C "C4'" . DT A 1 10 B 4.994 -4.871 27.250 1.00 0.00 ? 1 DT A "C4'" 3 +ATOM 1422 O "O4'" . DT A 1 10 B 4.080 -4.698 26.167 1.00 0.00 ? 1 DT A "O4'" 3 +ATOM 1423 C "C3'" . DT A 1 10 B 6.374 -5.177 26.626 1.00 0.00 ? 1 DT A "C3'" 3 +ATOM 1424 O "O3'" . DT A 1 10 B 6.579 -6.522 26.235 1.00 0.00 ? 1 DT A "O3'" 3 +ATOM 1425 C "C2'" . DT A 1 10 B 6.270 -4.386 25.329 1.00 0.00 ? 1 DT A "C2'" 3 +ATOM 1426 C "C1'" . DT A 1 10 B 4.808 -4.671 24.960 1.00 0.00 ? 1 DT A "C1'" 3 +ATOM 1427 N N1 . DT A 1 10 B 4.154 -3.730 24.011 1.00 0.00 ? 1 DT A N1 3 +ATOM 1428 C C2 . DT A 1 10 B 3.120 -4.251 23.230 1.00 0.00 ? 1 DT A C2 3 +ATOM 1429 O O2 . DT A 1 10 B 2.768 -5.422 23.244 1.00 0.00 ? 1 DT A O2 3 +ATOM 1430 N N3 . DT A 1 10 B 2.490 -3.387 22.373 1.00 0.00 ? 1 DT A N3 3 +ATOM 1431 C C4 . DT A 1 10 B 2.679 -2.026 22.325 1.00 0.00 ? 1 DT A C4 3 +ATOM 1432 O O4 . DT A 1 10 B 2.005 -1.361 21.551 1.00 0.00 ? 1 DT A O4 3 +ATOM 1433 C C5 . DT A 1 10 B 3.703 -1.510 23.235 1.00 0.00 ? 1 DT A C5 3 +ATOM 1434 C C7 . DT A 1 10 B 4.004 -0.011 23.321 1.00 0.00 ? 1 DT A C7 3 +ATOM 1435 C C6 . DT A 1 10 B 4.388 -2.366 24.039 1.00 0.00 ? 1 DT A C6 3 +ATOM 1436 H "H5'" . DT A 1 10 B 5.790 -3.693 28.879 1.00 0.00 ? 1 DT A "H5'" 3 +ATOM 1437 H "H5''" . DT A 1 10 B 5.341 -2.739 27.451 1.00 0.00 ? 1 DT A "H5''" 3 +ATOM 1438 H "H4'" . DT A 1 10 B 4.663 -5.673 27.906 1.00 0.00 ? 1 DT A "H4'" 3 +ATOM 1439 H "H3'" . DT A 1 10 B 7.206 -4.820 27.237 1.00 0.00 ? 1 DT A "H3'" 3 +ATOM 1440 H "H2'" . DT A 1 10 B 6.487 -3.348 25.559 1.00 0.00 ? 1 DT A "H2'" 3 +ATOM 1441 H "H2''" . DT A 1 10 B 6.961 -4.743 24.565 1.00 0.00 ? 1 DT A "H2''" 3 +ATOM 1442 H "H1'" . DT A 1 10 B 4.799 -5.687 24.555 1.00 0.00 ? 1 DT A "H1'" 3 +ATOM 1443 H H3 . DT A 1 10 B 1.844 -3.806 21.715 1.00 0.00 ? 1 DT A H3 3 +ATOM 1444 H H71 . DT A 1 10 B 3.482 0.401 24.185 1.00 0.00 ? 1 DT A H71 3 +ATOM 1445 H H72 . DT A 1 10 B 5.074 0.175 23.424 1.00 0.00 ? 1 DT A H72 3 +ATOM 1446 H H73 . DT A 1 10 B 3.658 0.507 22.425 1.00 0.00 ? 1 DT A H73 3 +ATOM 1447 H H6 . DT A 1 10 B 5.104 -1.943 24.724 1.00 0.00 ? 1 DT A H6 3 +ATOM 1448 P P . DT A 1 11 B 6.823 -7.695 27.302 1.00 0.00 ? 2 DT A P 3 +ATOM 1449 O OP1 . DT A 1 11 B 7.537 -7.117 28.460 1.00 0.00 ? 2 DT A OP1 3 +ATOM 1450 O OP2 . DT A 1 11 B 7.395 -8.853 26.583 1.00 0.00 ? 2 DT A OP2 3 +ATOM 1451 O "O5'" . DT A 1 11 B 5.327 -8.071 27.749 1.00 0.00 ? 2 DT A "O5'" 3 +ATOM 1452 C "C5'" . DT A 1 11 B 4.376 -8.540 26.807 1.00 0.00 ? 2 DT A "C5'" 3 +ATOM 1453 C "C4'" . DT A 1 11 B 2.969 -8.580 27.428 1.00 0.00 ? 2 DT A "C4'" 3 +ATOM 1454 O "O4'" . DT A 1 11 B 2.557 -7.260 27.782 1.00 0.00 ? 2 DT A "O4'" 3 +ATOM 1455 C "C3'" . DT A 1 11 B 1.926 -9.121 26.432 1.00 0.00 ? 2 DT A "C3'" 3 +ATOM 1456 O "O3'" . DT A 1 11 B 1.016 -10.017 27.039 1.00 0.00 ? 2 DT A "O3'" 3 +ATOM 1457 C "C2'" . DT A 1 11 B 1.205 -7.845 26.040 1.00 0.00 ? 2 DT A "C2'" 3 +ATOM 1458 C "C1'" . DT A 1 11 B 1.235 -7.045 27.335 1.00 0.00 ? 2 DT A "C1'" 3 +ATOM 1459 N N1 . DT A 1 11 B 0.958 -5.586 27.190 1.00 0.00 ? 2 DT A N1 3 +ATOM 1460 C C2 . DT A 1 11 B 1.015 -4.838 28.368 1.00 0.00 ? 2 DT A C2 3 +ATOM 1461 O O2 . DT A 1 11 B 1.301 -5.309 29.461 1.00 0.00 ? 2 DT A O2 3 +ATOM 1462 N N3 . DT A 1 11 B 0.647 -3.520 28.286 1.00 0.00 ? 2 DT A N3 3 +ATOM 1463 C C4 . DT A 1 11 B 0.184 -2.878 27.164 1.00 0.00 ? 2 DT A C4 3 +ATOM 1464 O O4 . DT A 1 11 B -0.166 -1.709 27.256 1.00 0.00 ? 2 DT A O4 3 +ATOM 1465 C C5 . DT A 1 11 B 0.141 -3.704 25.955 1.00 0.00 ? 2 DT A C5 3 +ATOM 1466 C C7 . DT A 1 11 B -0.418 -3.169 24.635 1.00 0.00 ? 2 DT A C7 3 +ATOM 1467 C C6 . DT A 1 11 B 0.547 -5.000 26.003 1.00 0.00 ? 2 DT A C6 3 +ATOM 1468 H "H5'" . DT A 1 11 B 4.656 -9.545 26.486 1.00 0.00 ? 2 DT A "H5'" 3 +ATOM 1469 H "H5''" . DT A 1 11 B 4.342 -7.888 25.932 1.00 0.00 ? 2 DT A "H5''" 3 +ATOM 1470 H "H4'" . DT A 1 11 B 2.994 -9.209 28.319 1.00 0.00 ? 2 DT A "H4'" 3 +ATOM 1471 H "H3'" . DT A 1 11 B 2.409 -9.554 25.553 1.00 0.00 ? 2 DT A "H3'" 3 +ATOM 1472 H "H2'" . DT A 1 11 B 1.792 -7.347 25.273 1.00 0.00 ? 2 DT A "H2'" 3 +ATOM 1473 H "H2''" . DT A 1 11 B 0.186 -8.060 25.720 1.00 0.00 ? 2 DT A "H2''" 3 +ATOM 1474 H "H1'" . DT A 1 11 B 0.534 -7.491 28.046 1.00 0.00 ? 2 DT A "H1'" 3 +ATOM 1475 H H3 . DT A 1 11 B 0.960 -2.933 29.067 1.00 0.00 ? 2 DT A H3 3 +ATOM 1476 H H71 . DT A 1 11 B -1.037 -3.916 24.134 1.00 0.00 ? 2 DT A H71 3 +ATOM 1477 H H72 . DT A 1 11 B -1.034 -2.286 24.810 1.00 0.00 ? 2 DT A H72 3 +ATOM 1478 H H73 . DT A 1 11 B 0.400 -2.887 23.974 1.00 0.00 ? 2 DT A H73 3 +ATOM 1479 H H6 . DT A 1 11 B 0.542 -5.533 25.064 1.00 0.00 ? 2 DT A H6 3 +ATOM 1480 P P . DG A 1 12 B 0.175 -11.077 26.163 1.00 0.00 ? 3 DG A P 3 +ATOM 1481 O OP1 . DG A 1 12 B -0.705 -11.825 27.085 1.00 0.00 ? 3 DG A OP1 3 +ATOM 1482 O OP2 . DG A 1 12 B 1.137 -11.812 25.313 1.00 0.00 ? 3 DG A OP2 3 +ATOM 1483 O "O5'" . DG A 1 12 B -0.762 -10.175 25.203 1.00 0.00 ? 3 DG A "O5'" 3 +ATOM 1484 C "C5'" . DG A 1 12 B -0.637 -10.197 23.786 1.00 0.00 ? 3 DG A "C5'" 3 +ATOM 1485 C "C4'" . DG A 1 12 B -1.640 -9.224 23.125 1.00 0.00 ? 3 DG A "C4'" 3 +ATOM 1486 O "O4'" . DG A 1 12 B -1.108 -7.893 23.014 1.00 0.00 ? 3 DG A "O4'" 3 +ATOM 1487 C "C3'" . DG A 1 12 B -2.041 -9.654 21.691 1.00 0.00 ? 3 DG A "C3'" 3 +ATOM 1488 O "O3'" . DG A 1 12 B -3.445 -9.522 21.536 1.00 0.00 ? 3 DG A "O3'" 3 +ATOM 1489 C "C2'" . DG A 1 12 B -1.315 -8.602 20.855 1.00 0.00 ? 3 DG A "C2'" 3 +ATOM 1490 C "C1'" . DG A 1 12 B -1.505 -7.392 21.749 1.00 0.00 ? 3 DG A "C1'" 3 +ATOM 1491 N N9 . DG A 1 12 B -0.740 -6.219 21.273 1.00 0.00 ? 3 DG A N9 3 +ATOM 1492 C C8 . DG A 1 12 B 0.587 -6.115 20.947 1.00 0.00 ? 3 DG A C8 3 +ATOM 1493 N N7 . DG A 1 12 B 0.947 -4.931 20.527 1.00 0.00 ? 3 DG A N7 3 +ATOM 1494 C C5 . DG A 1 12 B -0.254 -4.212 20.504 1.00 0.00 ? 3 DG A C5 3 +ATOM 1495 C C6 . DG A 1 12 B -0.585 -2.902 20.016 1.00 0.00 ? 3 DG A C6 3 +ATOM 1496 O O6 . DG A 1 12 B 0.142 -2.075 19.486 1.00 0.00 ? 3 DG A O6 3 +ATOM 1497 N N1 . DG A 1 12 B -1.917 -2.562 20.153 1.00 0.00 ? 3 DG A N1 3 +ATOM 1498 C C2 . DG A 1 12 B -2.861 -3.437 20.569 1.00 0.00 ? 3 DG A C2 3 +ATOM 1499 N N2 . DG A 1 12 B -4.098 -3.102 20.342 1.00 0.00 ? 3 DG A N2 3 +ATOM 1500 N N3 . DG A 1 12 B -2.613 -4.689 20.942 1.00 0.00 ? 3 DG A N3 3 +ATOM 1501 C C4 . DG A 1 12 B -1.289 -5.010 20.926 1.00 0.00 ? 3 DG A C4 3 +ATOM 1502 H "H5'" . DG A 1 12 B -0.858 -11.214 23.457 1.00 0.00 ? 3 DG A "H5'" 3 +ATOM 1503 H "H5''" . DG A 1 12 B 0.378 -9.942 23.474 1.00 0.00 ? 3 DG A "H5''" 3 +ATOM 1504 H "H4'" . DG A 1 12 B -2.536 -9.211 23.752 1.00 0.00 ? 3 DG A "H4'" 3 +ATOM 1505 H "H3'" . DG A 1 12 B -1.711 -10.667 21.447 1.00 0.00 ? 3 DG A "H3'" 3 +ATOM 1506 H "H2'" . DG A 1 12 B -0.261 -8.860 20.786 1.00 0.00 ? 3 DG A "H2'" 3 +ATOM 1507 H "H2''" . DG A 1 12 B -1.721 -8.447 19.859 1.00 0.00 ? 3 DG A "H2''" 3 +ATOM 1508 H "H1'" . DG A 1 12 B -2.561 -7.133 21.782 1.00 0.00 ? 3 DG A "H1'" 3 +ATOM 1509 H H8 . DG A 1 12 B 1.277 -6.944 20.996 1.00 0.00 ? 3 DG A H8 3 +ATOM 1510 H H1 . DG A 1 12 B -2.179 -1.645 19.814 1.00 0.00 ? 3 DG A H1 3 +ATOM 1511 H H21 . DG A 1 12 B -4.319 -2.194 19.961 1.00 0.00 ? 3 DG A H21 3 +ATOM 1512 H H22 . DG A 1 12 B -4.738 -3.882 20.317 1.00 0.00 ? 3 DG A H22 3 +ATOM 1513 P P . DG A 1 13 B -4.224 -10.079 20.242 1.00 0.00 ? 4 DG A P 3 +ATOM 1514 O OP1 . DG A 1 13 B -5.027 -11.244 20.667 1.00 0.00 ? 4 DG A OP1 3 +ATOM 1515 O OP2 . DG A 1 13 B -3.253 -10.220 19.137 1.00 0.00 ? 4 DG A OP2 3 +ATOM 1516 O "O5'" . DG A 1 13 B -5.227 -8.868 19.874 1.00 0.00 ? 4 DG A "O5'" 3 +ATOM 1517 C "C5'" . DG A 1 13 B -4.754 -7.541 19.715 1.00 0.00 ? 4 DG A "C5'" 3 +ATOM 1518 C "C4'" . DG A 1 13 B -5.812 -6.624 19.075 1.00 0.00 ? 4 DG A "C4'" 3 +ATOM 1519 O "O4'" . DG A 1 13 B -5.251 -5.314 18.978 1.00 0.00 ? 4 DG A "O4'" 3 +ATOM 1520 C "C3'" . DG A 1 13 B -6.184 -7.062 17.648 1.00 0.00 ? 4 DG A "C3'" 3 +ATOM 1521 O "O3'" . DG A 1 13 B -7.470 -6.582 17.307 1.00 0.00 ? 4 DG A "O3'" 3 +ATOM 1522 C "C2'" . DG A 1 13 B -5.101 -6.323 16.875 1.00 0.00 ? 4 DG A "C2'" 3 +ATOM 1523 C "C1'" . DG A 1 13 B -5.055 -4.981 17.611 1.00 0.00 ? 4 DG A "C1'" 3 +ATOM 1524 N N9 . DG A 1 13 B -3.742 -4.324 17.431 1.00 0.00 ? 4 DG A N9 3 +ATOM 1525 C C8 . DG A 1 13 B -2.502 -4.902 17.498 1.00 0.00 ? 4 DG A C8 3 +ATOM 1526 N N7 . DG A 1 13 B -1.514 -4.101 17.220 1.00 0.00 ? 4 DG A N7 3 +ATOM 1527 C C5 . DG A 1 13 B -2.149 -2.885 16.944 1.00 0.00 ? 4 DG A C5 3 +ATOM 1528 C C6 . DG A 1 13 B -1.634 -1.595 16.577 1.00 0.00 ? 4 DG A C6 3 +ATOM 1529 O O6 . DG A 1 13 B -0.473 -1.260 16.377 1.00 0.00 ? 4 DG A O6 3 +ATOM 1530 N N1 . DG A 1 13 B -2.596 -0.618 16.416 1.00 0.00 ? 4 DG A N1 3 +ATOM 1531 C C2 . DG A 1 13 B -3.917 -0.856 16.586 1.00 0.00 ? 4 DG A C2 3 +ATOM 1532 N N2 . DG A 1 13 B -4.709 0.165 16.409 1.00 0.00 ? 4 DG A N2 3 +ATOM 1533 N N3 . DG A 1 13 B -4.447 -2.042 16.877 1.00 0.00 ? 4 DG A N3 3 +ATOM 1534 C C4 . DG A 1 13 B -3.514 -3.021 17.055 1.00 0.00 ? 4 DG A C4 3 +ATOM 1535 H "H5'" . DG A 1 13 B -3.848 -7.527 19.108 1.00 0.00 ? 4 DG A "H5'" 3 +ATOM 1536 H "H5''" . DG A 1 13 B -4.518 -7.137 20.700 1.00 0.00 ? 4 DG A "H5''" 3 +ATOM 1537 H "H4'" . DG A 1 13 B -6.698 -6.615 19.713 1.00 0.00 ? 4 DG A "H4'" 3 +ATOM 1538 H "H3'" . DG A 1 13 B -6.133 -8.149 17.529 1.00 0.00 ? 4 DG A "H3'" 3 +ATOM 1539 H "H2'" . DG A 1 13 B -4.183 -6.894 16.976 1.00 0.00 ? 4 DG A "H2'" 3 +ATOM 1540 H "H2''" . DG A 1 13 B -5.301 -6.211 15.819 1.00 0.00 ? 4 DG A "H2''" 3 +ATOM 1541 H "H1'" . DG A 1 13 B -5.877 -4.350 17.270 1.00 0.00 ? 4 DG A "H1'" 3 +ATOM 1542 H H8 . DG A 1 13 B -2.360 -5.943 17.740 1.00 0.00 ? 4 DG A H8 3 +ATOM 1543 H H1 . DG A 1 13 B -2.268 0.327 16.252 1.00 0.00 ? 4 DG A H1 3 +ATOM 1544 H H21 . DG A 1 13 B -4.332 1.089 16.250 1.00 0.00 ? 4 DG A H21 3 +ATOM 1545 H H22 . DG A 1 13 B -5.686 -0.025 16.528 1.00 0.00 ? 4 DG A H22 3 +ATOM 1546 P P . DA A 1 14 B -8.139 -6.906 15.881 1.00 0.00 ? 5 DA A P 3 +ATOM 1547 O OP1 . DA A 1 14 B -9.579 -7.162 16.101 1.00 0.00 ? 5 DA A OP1 3 +ATOM 1548 O OP2 . DA A 1 14 B -7.308 -7.913 15.187 1.00 0.00 ? 5 DA A OP2 3 +ATOM 1549 O "O5'" . DA A 1 14 B -7.992 -5.508 15.093 1.00 0.00 ? 5 DA A "O5'" 3 +ATOM 1550 C "C5'" . DA A 1 14 B -8.802 -4.395 15.434 1.00 0.00 ? 5 DA A "C5'" 3 +ATOM 1551 C "C4'" . DA A 1 14 B -8.557 -3.192 14.509 1.00 0.00 ? 5 DA A "C4'" 3 +ATOM 1552 O "O4'" . DA A 1 14 B -7.251 -2.653 14.691 1.00 0.00 ? 5 DA A "O4'" 3 +ATOM 1553 C "C3'" . DA A 1 14 B -8.728 -3.509 13.009 1.00 0.00 ? 5 DA A "C3'" 3 +ATOM 1554 O "O3'" . DA A 1 14 B -9.546 -2.530 12.396 1.00 0.00 ? 5 DA A "O3'" 3 +ATOM 1555 C "C2'" . DA A 1 14 B -7.283 -3.418 12.524 1.00 0.00 ? 5 DA A "C2'" 3 +ATOM 1556 C "C1'" . DA A 1 14 B -6.744 -2.305 13.420 1.00 0.00 ? 5 DA A "C1'" 3 +ATOM 1557 N N9 . DA A 1 14 B -5.268 -2.302 13.486 1.00 0.00 ? 5 DA A N9 3 +ATOM 1558 C C8 . DA A 1 14 B -4.406 -3.325 13.802 1.00 0.00 ? 5 DA A C8 3 +ATOM 1559 N N7 . DA A 1 14 B -3.144 -2.995 13.777 1.00 0.00 ? 5 DA A N7 3 +ATOM 1560 C C5 . DA A 1 14 B -3.178 -1.642 13.427 1.00 0.00 ? 5 DA A C5 3 +ATOM 1561 C C6 . DA A 1 14 B -2.209 -0.636 13.218 1.00 0.00 ? 5 DA A C6 3 +ATOM 1562 N N6 . DA A 1 14 B -0.908 -0.821 13.315 1.00 0.00 ? 5 DA A N6 3 +ATOM 1563 N N1 . DA A 1 14 B -2.566 0.608 12.883 1.00 0.00 ? 5 DA A N1 3 +ATOM 1564 C C2 . DA A 1 14 B -3.861 0.884 12.783 1.00 0.00 ? 5 DA A C2 3 +ATOM 1565 N N3 . DA A 1 14 B -4.876 0.045 12.945 1.00 0.00 ? 5 DA A N3 3 +ATOM 1566 C C4 . DA A 1 14 B -4.468 -1.213 13.265 1.00 0.00 ? 5 DA A C4 3 +ATOM 1567 H "H5'" . DA A 1 14 B -8.606 -4.093 16.466 1.00 0.00 ? 5 DA A "H5'" 3 +ATOM 1568 H "H5''" . DA A 1 14 B -9.857 -4.667 15.348 1.00 0.00 ? 5 DA A "H5''" 3 +ATOM 1569 H "H4'" . DA A 1 14 B -9.273 -2.419 14.794 1.00 0.00 ? 5 DA A "H4'" 3 +ATOM 1570 H "H3'" . DA A 1 14 B -9.146 -4.511 12.865 1.00 0.00 ? 5 DA A "H3'" 3 +ATOM 1571 H "H2'" . DA A 1 14 B -6.799 -4.374 12.721 1.00 0.00 ? 5 DA A "H2'" 3 +ATOM 1572 H "H2''" . DA A 1 14 B -7.199 -3.174 11.465 1.00 0.00 ? 5 DA A "H2''" 3 +ATOM 1573 H "H1'" . DA A 1 14 B -7.143 -1.332 13.112 1.00 0.00 ? 5 DA A "H1'" 3 +ATOM 1574 H H8 . DA A 1 14 B -4.720 -4.328 14.048 1.00 0.00 ? 5 DA A H8 3 +ATOM 1575 H H61 . DA A 1 14 B -0.305 -0.032 13.130 1.00 0.00 ? 5 DA A H61 3 +ATOM 1576 H H62 . DA A 1 14 B -0.557 -1.710 13.627 1.00 0.00 ? 5 DA A H62 3 +ATOM 1577 H H2 . DA A 1 14 B -4.123 1.893 12.511 1.00 0.00 ? 5 DA A H2 3 +ATOM 1578 P P . DT A 1 15 B -10.005 -2.650 10.858 1.00 0.00 ? 6 DT A P 3 +ATOM 1579 O OP1 . DT A 1 15 B -11.375 -2.103 10.752 1.00 0.00 ? 6 DT A OP1 3 +ATOM 1580 O OP2 . DT A 1 15 B -9.717 -4.021 10.388 1.00 0.00 ? 6 DT A OP2 3 +ATOM 1581 O "O5'" . DT A 1 15 B -8.996 -1.639 10.118 1.00 0.00 ? 6 DT A "O5'" 3 +ATOM 1582 C "C5'" . DT A 1 15 B -9.168 -0.234 10.220 1.00 0.00 ? 6 DT A "C5'" 3 +ATOM 1583 C "C4'" . DT A 1 15 B -7.986 0.535 9.610 1.00 0.00 ? 6 DT A "C4'" 3 +ATOM 1584 O "O4'" . DT A 1 15 B -6.763 0.187 10.241 1.00 0.00 ? 6 DT A "O4'" 3 +ATOM 1585 C "C3'" . DT A 1 15 B -7.763 0.294 8.105 1.00 0.00 ? 6 DT A "C3'" 3 +ATOM 1586 O "O3'" . DT A 1 15 B -8.365 1.323 7.345 1.00 0.00 ? 6 DT A "O3'" 3 +ATOM 1587 C "C2'" . DT A 1 15 B -6.233 0.351 7.982 1.00 0.00 ? 6 DT A "C2'" 3 +ATOM 1588 C "C1'" . DT A 1 15 B -5.755 0.664 9.387 1.00 0.00 ? 6 DT A "C1'" 3 +ATOM 1589 N N1 . DT A 1 15 B -4.441 0.035 9.629 1.00 0.00 ? 6 DT A N1 3 +ATOM 1590 C C2 . DT A 1 15 B -3.325 0.836 9.434 1.00 0.00 ? 6 DT A C2 3 +ATOM 1591 O O2 . DT A 1 15 B -3.373 2.012 9.110 1.00 0.00 ? 6 DT A O2 3 +ATOM 1592 N N3 . DT A 1 15 B -2.111 0.238 9.586 1.00 0.00 ? 6 DT A N3 3 +ATOM 1593 C C4 . DT A 1 15 B -1.886 -1.083 9.864 1.00 0.00 ? 6 DT A C4 3 +ATOM 1594 O O4 . DT A 1 15 B -0.722 -1.451 9.964 1.00 0.00 ? 6 DT A O4 3 +ATOM 1595 C C5 . DT A 1 15 B -3.096 -1.902 9.994 1.00 0.00 ? 6 DT A C5 3 +ATOM 1596 C C7 . DT A 1 15 B -3.002 -3.407 10.248 1.00 0.00 ? 6 DT A C7 3 +ATOM 1597 C C6 . DT A 1 15 B -4.321 -1.318 9.875 1.00 0.00 ? 6 DT A C6 3 +ATOM 1598 H "H5'" . DT A 1 15 B -9.248 0.057 11.270 1.00 0.00 ? 6 DT A "H5'" 3 +ATOM 1599 H "H5''" . DT A 1 15 B -10.083 0.065 9.704 1.00 0.00 ? 6 DT A "H5''" 3 +ATOM 1600 H "H4'" . DT A 1 15 B -8.158 1.602 9.776 1.00 0.00 ? 6 DT A "H4'" 3 +ATOM 1601 H "H3'" . DT A 1 15 B -8.135 -0.697 7.832 1.00 0.00 ? 6 DT A "H3'" 3 +ATOM 1602 H "H2'" . DT A 1 15 B -5.882 -0.621 7.634 1.00 0.00 ? 6 DT A "H2'" 3 +ATOM 1603 H "H2''" . DT A 1 15 B -5.824 1.139 7.350 1.00 0.00 ? 6 DT A "H2''" 3 +ATOM 1604 H "H1'" . DT A 1 15 B -5.729 1.750 9.493 1.00 0.00 ? 6 DT A "H1'" 3 +ATOM 1605 H H3 . DT A 1 15 B -1.314 0.843 9.459 1.00 0.00 ? 6 DT A H3 3 +ATOM 1606 H H71 . DT A 1 15 B -2.401 -3.877 9.468 1.00 0.00 ? 6 DT A H71 3 +ATOM 1607 H H72 . DT A 1 15 B -2.520 -3.584 11.210 1.00 0.00 ? 6 DT A H72 3 +ATOM 1608 H H73 . DT A 1 15 B -3.983 -3.887 10.265 1.00 0.00 ? 6 DT A H73 3 +ATOM 1609 H H6 . DT A 1 15 B -5.222 -1.912 9.951 1.00 0.00 ? 6 DT A H6 3 +ATOM 1610 P P . DC A 1 16 B -8.674 1.130 5.777 1.00 0.00 ? 7 DC A P 3 +ATOM 1611 O OP1 . DC A 1 16 B -9.964 0.417 5.673 1.00 0.00 ? 7 DC A OP1 3 +ATOM 1612 O OP2 . DC A 1 16 B -7.482 0.555 5.123 1.00 0.00 ? 7 DC A OP2 3 +ATOM 1613 O "O5'" . DC A 1 16 B -8.905 2.626 5.205 1.00 0.00 ? 7 DC A "O5'" 3 +ATOM 1614 C "C5'" . DC A 1 16 B -8.258 3.778 5.728 1.00 0.00 ? 7 DC A "C5'" 3 +ATOM 1615 C "C4'" . DC A 1 16 B -6.751 3.919 5.442 1.00 0.00 ? 7 DC A "C4'" 3 +ATOM 1616 O "O4'" . DC A 1 16 B -5.977 2.939 6.109 1.00 0.00 ? 7 DC A "O4'" 3 +ATOM 1617 C "C3'" . DC A 1 16 B -6.346 3.811 3.967 1.00 0.00 ? 7 DC A "C3'" 3 +ATOM 1618 O "O3'" . DC A 1 16 B -6.262 5.098 3.387 1.00 0.00 ? 7 DC A "O3'" 3 +ATOM 1619 C "C2'" . DC A 1 16 B -4.965 3.153 4.077 1.00 0.00 ? 7 DC A "C2'" 3 +ATOM 1620 C "C1'" . DC A 1 16 B -4.682 2.995 5.571 1.00 0.00 ? 7 DC A "C1'" 3 +ATOM 1621 N N1 . DC A 1 16 B -3.770 1.858 5.812 1.00 0.00 ? 7 DC A N1 3 +ATOM 1622 C C2 . DC A 1 16 B -2.438 2.069 6.180 1.00 0.00 ? 7 DC A C2 3 +ATOM 1623 O O2 . DC A 1 16 B -1.950 3.192 6.223 1.00 0.00 ? 7 DC A O2 3 +ATOM 1624 N N3 . DC A 1 16 B -1.634 1.006 6.460 1.00 0.00 ? 7 DC A N3 3 +ATOM 1625 C C4 . DC A 1 16 B -2.144 -0.211 6.351 1.00 0.00 ? 7 DC A C4 3 +ATOM 1626 N N4 . DC A 1 16 B -1.358 -1.202 6.664 1.00 0.00 ? 7 DC A N4 3 +ATOM 1627 C C5 . DC A 1 16 B -3.438 -0.472 5.820 1.00 0.00 ? 7 DC A C5 3 +ATOM 1628 C C6 . DC A 1 16 B -4.205 0.602 5.548 1.00 0.00 ? 7 DC A C6 3 +ATOM 1629 H "H5'" . DC A 1 16 B -8.432 3.857 6.803 1.00 0.00 ? 7 DC A "H5'" 3 +ATOM 1630 H "H5''" . DC A 1 16 B -8.747 4.634 5.262 1.00 0.00 ? 7 DC A "H5''" 3 +ATOM 1631 H "H4'" . DC A 1 16 B -6.439 4.895 5.824 1.00 0.00 ? 7 DC A "H4'" 3 +ATOM 1632 H "H3'" . DC A 1 16 B -7.044 3.164 3.430 1.00 0.00 ? 7 DC A "H3'" 3 +ATOM 1633 H "H2'" . DC A 1 16 B -5.032 2.201 3.551 1.00 0.00 ? 7 DC A "H2'" 3 +ATOM 1634 H "H2''" . DC A 1 16 B -4.159 3.687 3.629 1.00 0.00 ? 7 DC A "H2''" 3 +ATOM 1635 H "H1'" . DC A 1 16 B -4.306 3.838 6.120 1.00 0.00 ? 7 DC A "H1'" 3 +ATOM 1636 H H41 . DC A 1 16 B -0.425 -0.925 6.929 1.00 0.00 ? 7 DC A H41 3 +ATOM 1637 H H42 . DC A 1 16 B -1.657 -2.153 6.573 1.00 0.00 ? 7 DC A H42 3 +ATOM 1638 H H5 . DC A 1 16 B -3.848 -1.448 5.646 1.00 0.00 ? 7 DC A H5 3 +ATOM 1639 H H6 . DC A 1 16 B -5.183 0.529 5.115 1.00 0.00 ? 7 DC A H6 3 +ATOM 1640 P P . DC A 1 17 B -5.870 5.307 1.842 1.00 0.00 ? 8 DC A P 3 +ATOM 1641 O OP1 . DC A 1 17 B -6.447 6.591 1.394 1.00 0.00 ? 8 DC A OP1 3 +ATOM 1642 O OP2 . DC A 1 17 B -6.172 4.063 1.103 1.00 0.00 ? 8 DC A OP2 3 +ATOM 1643 O "O5'" . DC A 1 17 B -4.270 5.470 1.891 1.00 0.00 ? 8 DC A "O5'" 3 +ATOM 1644 C "C5'" . DC A 1 17 B -3.658 6.581 2.525 1.00 0.00 ? 8 DC A "C5'" 3 +ATOM 1645 C "C4'" . DC A 1 17 B -2.125 6.529 2.387 1.00 0.00 ? 8 DC A "C4'" 3 +ATOM 1646 O "O4'" . DC A 1 17 B -1.590 5.423 3.116 1.00 0.00 ? 8 DC A "O4'" 3 +ATOM 1647 C "C3'" . DC A 1 17 B -1.680 6.388 0.916 1.00 0.00 ? 8 DC A "C3'" 3 +ATOM 1648 O "O3'" . DC A 1 17 B -0.525 7.172 0.694 1.00 0.00 ? 8 DC A "O3'" 3 +ATOM 1649 C "C2'" . DC A 1 17 B -1.324 4.907 0.890 1.00 0.00 ? 8 DC A "C2'" 3 +ATOM 1650 C "C1'" . DC A 1 17 B -0.690 4.743 2.268 1.00 0.00 ? 8 DC A "C1'" 3 +ATOM 1651 N N1 . DC A 1 17 B -0.624 3.303 2.656 1.00 0.00 ? 8 DC A N1 3 +ATOM 1652 C C2 . DC A 1 17 B 0.619 2.780 3.010 1.00 0.00 ? 8 DC A C2 3 +ATOM 1653 O O2 . DC A 1 17 B 1.629 3.468 2.971 1.00 0.00 ? 8 DC A O2 3 +ATOM 1654 N N3 . DC A 1 17 B 0.745 1.481 3.396 1.00 0.00 ? 8 DC A N3 3 +ATOM 1655 C C4 . DC A 1 17 B -0.342 0.735 3.455 1.00 0.00 ? 8 DC A C4 3 +ATOM 1656 N N4 . DC A 1 17 B -0.181 -0.502 3.828 1.00 0.00 ? 8 DC A N4 3 +ATOM 1657 C C5 . DC A 1 17 B -1.634 1.201 3.093 1.00 0.00 ? 8 DC A C5 3 +ATOM 1658 C C6 . DC A 1 17 B -1.738 2.487 2.690 1.00 0.00 ? 8 DC A C6 3 +ATOM 1659 H "H5'" . DC A 1 17 B -3.916 6.600 3.587 1.00 0.00 ? 8 DC A "H5'" 3 +ATOM 1660 H "H5''" . DC A 1 17 B -4.009 7.508 2.065 1.00 0.00 ? 8 DC A "H5''" 3 +ATOM 1661 H "H4'" . DC A 1 17 B -1.722 7.452 2.807 1.00 0.00 ? 8 DC A "H4'" 3 +ATOM 1662 H "H3'" . DC A 1 17 B -2.496 6.632 0.230 1.00 0.00 ? 8 DC A "H3'" 3 +ATOM 1663 H "H2'" . DC A 1 17 B -2.258 4.370 0.763 1.00 0.00 ? 8 DC A "H2'" 3 +ATOM 1664 H "H2''" . DC A 1 17 B -0.650 4.574 0.117 1.00 0.00 ? 8 DC A "H2''" 3 +ATOM 1665 H "H1'" . DC A 1 17 B 0.280 5.292 2.288 1.00 0.00 ? 8 DC A "H1'" 3 +ATOM 1666 H H41 . DC A 1 17 B 0.753 -0.773 4.085 1.00 0.00 ? 8 DC A H41 3 +ATOM 1667 H H42 . DC A 1 17 B -0.963 -1.126 3.862 1.00 0.00 ? 8 DC A H42 3 +ATOM 1668 H H5 . DC A 1 17 B -2.505 0.566 3.114 1.00 0.00 ? 8 DC A H5 3 +ATOM 1669 H H6 . DC A 1 17 B -2.724 2.814 2.375 1.00 0.00 ? 8 DC A H6 3 +ATOM 1670 P P . DT A 1 18 B -0.155 7.753 -0.756 1.00 0.00 ? 9 DT A P 3 +ATOM 1671 O OP1 . DT A 1 18 B 1.007 8.653 -0.601 1.00 0.00 ? 9 DT A OP1 3 +ATOM 1672 O OP2 . DT A 1 18 B -1.396 8.264 -1.377 1.00 0.00 ? 9 DT A OP2 3 +ATOM 1673 O "O5'" . DT A 1 18 B 0.332 6.468 -1.592 1.00 0.00 ? 9 DT A "O5'" 3 +ATOM 1674 C "C5'" . DT A 1 18 B -0.483 5.860 -2.580 1.00 0.00 ? 9 DT A "C5'" 3 +ATOM 1675 C "C4'" . DT A 1 18 B 0.339 4.795 -3.326 1.00 0.00 ? 9 DT A "C4'" 3 +ATOM 1676 O "O4'" . DT A 1 18 B 0.536 3.646 -2.503 1.00 0.00 ? 9 DT A "O4'" 3 +ATOM 1677 C "C3'" . DT A 1 18 B -0.364 4.297 -4.598 1.00 0.00 ? 9 DT A "C3'" 3 +ATOM 1678 O "O3'" . DT A 1 18 B 0.550 3.915 -5.606 1.00 0.00 ? 9 DT A "O3'" 3 +ATOM 1679 C "C2'" . DT A 1 18 B -1.119 3.077 -4.119 1.00 0.00 ? 9 DT A "C2'" 3 +ATOM 1680 C "C1'" . DT A 1 18 B -0.172 2.547 -3.047 1.00 0.00 ? 9 DT A "C1'" 3 +ATOM 1681 N N1 . DT A 1 18 B -0.769 1.757 -1.939 1.00 0.00 ? 9 DT A N1 3 +ATOM 1682 C C2 . DT A 1 18 B 0.061 0.797 -1.362 1.00 0.00 ? 9 DT A C2 3 +ATOM 1683 O O2 . DT A 1 18 B 1.219 0.590 -1.695 1.00 0.00 ? 9 DT A O2 3 +ATOM 1684 N N3 . DT A 1 18 B -0.487 0.013 -0.387 1.00 0.00 ? 9 DT A N3 3 +ATOM 1685 C C4 . DT A 1 18 B -1.769 0.096 0.084 1.00 0.00 ? 9 DT A C4 3 +ATOM 1686 O O4 . DT A 1 18 B -2.147 -0.780 0.854 1.00 0.00 ? 9 DT A O4 3 +ATOM 1687 C C5 . DT A 1 18 B -2.529 1.252 -0.401 1.00 0.00 ? 9 DT A C5 3 +ATOM 1688 C C7 . DT A 1 18 B -3.931 1.564 0.126 1.00 0.00 ? 9 DT A C7 3 +ATOM 1689 C C6 . DT A 1 18 B -2.003 2.043 -1.377 1.00 0.00 ? 9 DT A C6 3 +ATOM 1690 H "H5'" . DT A 1 18 B -0.789 6.619 -3.304 1.00 0.00 ? 9 DT A "H5'" 3 +ATOM 1691 H "H5''" . DT A 1 18 B -1.375 5.415 -2.135 1.00 0.00 ? 9 DT A "H5''" 3 +ATOM 1692 H "H4'" . DT A 1 18 B 1.296 5.257 -3.592 1.00 0.00 ? 9 DT A "H4'" 3 +ATOM 1693 H "H3'" . DT A 1 18 B -1.086 5.026 -4.967 1.00 0.00 ? 9 DT A "H3'" 3 +ATOM 1694 H "H2'" . DT A 1 18 B -2.071 3.422 -3.781 1.00 0.00 ? 9 DT A "H2'" 3 +ATOM 1695 H "H2''" . DT A 1 18 B -1.283 2.348 -4.911 1.00 0.00 ? 9 DT A "H2''" 3 +ATOM 1696 H "H1'" . DT A 1 18 B 0.505 1.916 -3.616 1.00 0.00 ? 9 DT A "H1'" 3 +ATOM 1697 H H3 . DT A 1 18 B 0.130 -0.666 0.037 1.00 0.00 ? 9 DT A H3 3 +ATOM 1698 H H71 . DT A 1 18 B -4.064 2.633 0.311 1.00 0.00 ? 9 DT A H71 3 +ATOM 1699 H H72 . DT A 1 18 B -4.681 1.255 -0.604 1.00 0.00 ? 9 DT A H72 3 +ATOM 1700 H H73 . DT A 1 18 B -4.134 1.037 1.061 1.00 0.00 ? 9 DT A H73 3 +ATOM 1701 H H6 . DT A 1 18 B -2.554 2.929 -1.663 1.00 0.00 ? 9 DT A H6 3 +ATOM 1702 O "O5'" . DA A 1 1 ? 9.377 -6.499 -0.735 1.00 0.00 ? 1 DA A "O5'" 4 +ATOM 1703 C "C5'" . DA A 1 1 ? 8.024 -6.086 -0.817 1.00 0.00 ? 1 DA A "C5'" 4 +ATOM 1704 C "C4'" . DA A 1 1 ? 7.680 -5.066 0.275 1.00 0.00 ? 1 DA A "C4'" 4 +ATOM 1705 O "O4'" . DA A 1 1 ? 6.302 -4.692 0.225 1.00 0.00 ? 1 DA A "O4'" 4 +ATOM 1706 C "C3'" . DA A 1 1 ? 7.940 -5.592 1.704 1.00 0.00 ? 1 DA A "C3'" 4 +ATOM 1707 O "O3'" . DA A 1 1 ? 8.703 -4.694 2.478 1.00 0.00 ? 1 DA A "O3'" 4 +ATOM 1708 C "C2'" . DA A 1 1 ? 6.530 -5.645 2.265 1.00 0.00 ? 1 DA A "C2'" 4 +ATOM 1709 C "C1'" . DA A 1 1 ? 5.911 -4.441 1.561 1.00 0.00 ? 1 DA A "C1'" 4 +ATOM 1710 N N9 . DA A 1 1 ? 4.444 -4.384 1.712 1.00 0.00 ? 1 DA A N9 4 +ATOM 1711 C C8 . DA A 1 1 ? 3.580 -5.350 2.166 1.00 0.00 ? 1 DA A C8 4 +ATOM 1712 N N7 . DA A 1 1 ? 2.324 -4.996 2.165 1.00 0.00 ? 1 DA A N7 4 +ATOM 1713 C C5 . DA A 1 1 ? 2.370 -3.680 1.691 1.00 0.00 ? 1 DA A C5 4 +ATOM 1714 C C6 . DA A 1 1 ? 1.408 -2.677 1.432 1.00 0.00 ? 1 DA A C6 4 +ATOM 1715 N N6 . DA A 1 1 ? 0.109 -2.832 1.601 1.00 0.00 ? 1 DA A N6 4 +ATOM 1716 N N1 . DA A 1 1 ? 1.762 -1.488 0.930 1.00 0.00 ? 1 DA A N1 4 +ATOM 1717 C C2 . DA A 1 1 ? 3.053 -1.260 0.717 1.00 0.00 ? 1 DA A C2 4 +ATOM 1718 N N3 . DA A 1 1 ? 4.066 -2.095 0.928 1.00 0.00 ? 1 DA A N3 4 +ATOM 1719 C C4 . DA A 1 1 ? 3.657 -3.300 1.416 1.00 0.00 ? 1 DA A C4 4 +ATOM 1720 H "H5'" . DA A 1 1 ? 7.383 -6.964 -0.721 1.00 0.00 ? 1 DA A "H5'" 4 +ATOM 1721 H "H5''" . DA A 1 1 ? 7.855 -5.634 -1.795 1.00 0.00 ? 1 DA A "H5''" 4 +ATOM 1722 H "H4'" . DA A 1 1 ? 8.275 -4.166 0.103 1.00 0.00 ? 1 DA A "H4'" 4 +ATOM 1723 H "H3'" . DA A 1 1 ? 8.354 -6.603 1.726 1.00 0.00 ? 1 DA A "H3'" 4 +ATOM 1724 H "H2'" . DA A 1 1 ? 6.065 -6.577 1.942 1.00 0.00 ? 1 DA A "H2'" 4 +ATOM 1725 H "H2''" . DA A 1 1 ? 6.505 -5.564 3.352 1.00 0.00 ? 1 DA A "H2''" 4 +ATOM 1726 H "H1'" . DA A 1 1 ? 6.363 -3.507 1.893 1.00 0.00 ? 1 DA A "H1'" 4 +ATOM 1727 H H8 . DA A 1 1 ? 3.899 -6.330 2.490 1.00 0.00 ? 1 DA A H8 4 +ATOM 1728 H H61 . DA A 1 1 ? -0.484 -2.044 1.380 1.00 0.00 ? 1 DA A H61 4 +ATOM 1729 H H62 . DA A 1 1 ? -0.237 -3.698 1.973 1.00 0.00 ? 1 DA A H62 4 +ATOM 1730 H H2 . DA A 1 1 ? 3.309 -0.287 0.327 1.00 0.00 ? 1 DA A H2 4 +ATOM 1731 H "HO5'" . DA A 1 1 ? 9.886 -5.855 -0.208 1.00 0.00 ? 1 DA A "HO5'" 4 +ATOM 1732 P P . DG A 1 2 ? 10.300 -4.713 2.378 1.00 0.00 ? 2 DG A P 4 +ATOM 1733 O OP1 . DG A 1 2 ? 10.638 -4.914 0.949 1.00 0.00 ? 2 DG A OP1 4 +ATOM 1734 O OP2 . DG A 1 2 ? 10.796 -5.668 3.388 1.00 0.00 ? 2 DG A OP2 4 +ATOM 1735 O "O5'" . DG A 1 2 ? 10.708 -3.218 2.820 1.00 0.00 ? 2 DG A "O5'" 4 +ATOM 1736 C "C5'" . DG A 1 2 ? 10.910 -2.176 1.878 1.00 0.00 ? 2 DG A "C5'" 4 +ATOM 1737 C "C4'" . DG A 1 2 ? 10.273 -0.856 2.343 1.00 0.00 ? 2 DG A "C4'" 4 +ATOM 1738 O "O4'" . DG A 1 2 ? 8.856 -0.986 2.317 1.00 0.00 ? 2 DG A "O4'" 4 +ATOM 1739 C "C3'" . DG A 1 2 ? 10.660 -0.409 3.768 1.00 0.00 ? 2 DG A "C3'" 4 +ATOM 1740 O "O3'" . DG A 1 2 ? 10.850 0.998 3.758 1.00 0.00 ? 2 DG A "O3'" 4 +ATOM 1741 C "C2'" . DG A 1 2 ? 9.408 -0.794 4.541 1.00 0.00 ? 2 DG A "C2'" 4 +ATOM 1742 C "C1'" . DG A 1 2 ? 8.347 -0.431 3.510 1.00 0.00 ? 2 DG A "C1'" 4 +ATOM 1743 N N9 . DG A 1 2 ? 7.042 -1.043 3.804 1.00 0.00 ? 2 DG A N9 4 +ATOM 1744 C C8 . DG A 1 2 ? 6.748 -2.323 4.186 1.00 0.00 ? 2 DG A C8 4 +ATOM 1745 N N7 . DG A 1 2 ? 5.468 -2.563 4.309 1.00 0.00 ? 2 DG A N7 4 +ATOM 1746 C C5 . DG A 1 2 ? 4.875 -1.321 4.034 1.00 0.00 ? 2 DG A C5 4 +ATOM 1747 C C6 . DG A 1 2 ? 3.508 -0.877 3.978 1.00 0.00 ? 2 DG A C6 4 +ATOM 1748 O O6 . DG A 1 2 ? 2.484 -1.528 4.139 1.00 0.00 ? 2 DG A O6 4 +ATOM 1749 N N1 . DG A 1 2 ? 3.352 0.463 3.664 1.00 0.00 ? 2 DG A N1 4 +ATOM 1750 C C2 . DG A 1 2 ? 4.399 1.292 3.443 1.00 0.00 ? 2 DG A C2 4 +ATOM 1751 N N2 . DG A 1 2 ? 4.150 2.562 3.324 1.00 0.00 ? 2 DG A N2 4 +ATOM 1752 N N3 . DG A 1 2 ? 5.670 0.926 3.477 1.00 0.00 ? 2 DG A N3 4 +ATOM 1753 C C4 . DG A 1 2 ? 5.846 -0.387 3.770 1.00 0.00 ? 2 DG A C4 4 +ATOM 1754 H "H5'" . DG A 1 2 ? 10.487 -2.407 0.897 1.00 0.00 ? 2 DG A "H5'" 4 +ATOM 1755 H "H5''" . DG A 1 2 ? 11.985 -2.033 1.756 1.00 0.00 ? 2 DG A "H5''" 4 +ATOM 1756 H "H4'" . DG A 1 2 ? 10.559 -0.085 1.624 1.00 0.00 ? 2 DG A "H4'" 4 +ATOM 1757 H "H3'" . DG A 1 2 ? 11.537 -0.938 4.144 1.00 0.00 ? 2 DG A "H3'" 4 +ATOM 1758 H "H2'" . DG A 1 2 ? 9.438 -1.867 4.730 1.00 0.00 ? 2 DG A "H2'" 4 +ATOM 1759 H "H2''" . DG A 1 2 ? 9.298 -0.266 5.484 1.00 0.00 ? 2 DG A "H2''" 4 +ATOM 1760 H "H1'" . DG A 1 2 ? 8.270 0.654 3.418 1.00 0.00 ? 2 DG A "H1'" 4 +ATOM 1761 H H8 . DG A 1 2 ? 7.518 -3.066 4.339 1.00 0.00 ? 2 DG A H8 4 +ATOM 1762 H H1 . DG A 1 2 ? 2.413 0.838 3.602 1.00 0.00 ? 2 DG A H1 4 +ATOM 1763 H H21 . DG A 1 2 ? 3.210 2.921 3.380 1.00 0.00 ? 2 DG A H21 4 +ATOM 1764 H H22 . DG A 1 2 ? 4.971 3.142 3.343 1.00 0.00 ? 2 DG A H22 4 +ATOM 1765 P P . DG A 1 3 ? 11.117 1.852 5.095 1.00 0.00 ? 3 DG A P 4 +ATOM 1766 O OP1 . DG A 1 3 ? 12.019 2.966 4.734 1.00 0.00 ? 3 DG A OP1 4 +ATOM 1767 O OP2 . DG A 1 3 ? 11.501 0.916 6.172 1.00 0.00 ? 3 DG A OP2 4 +ATOM 1768 O "O5'" . DG A 1 3 ? 9.659 2.472 5.440 1.00 0.00 ? 3 DG A "O5'" 4 +ATOM 1769 C "C5'" . DG A 1 3 ? 9.087 3.490 4.627 1.00 0.00 ? 3 DG A "C5'" 4 +ATOM 1770 C "C4'" . DG A 1 3 ? 7.809 4.126 5.214 1.00 0.00 ? 3 DG A "C4'" 4 +ATOM 1771 O "O4'" . DG A 1 3 ? 6.663 3.277 5.173 1.00 0.00 ? 3 DG A "O4'" 4 +ATOM 1772 C "C3'" . DG A 1 3 ? 7.948 4.636 6.661 1.00 0.00 ? 3 DG A "C3'" 4 +ATOM 1773 O "O3'" . DG A 1 3 ? 7.595 6.005 6.738 1.00 0.00 ? 3 DG A "O3'" 4 +ATOM 1774 C "C2'" . DG A 1 3 ? 6.933 3.750 7.378 1.00 0.00 ? 3 DG A "C2'" 4 +ATOM 1775 C "C1'" . DG A 1 3 ? 5.862 3.561 6.309 1.00 0.00 ? 3 DG A "C1'" 4 +ATOM 1776 N N9 . DG A 1 3 ? 4.979 2.403 6.582 1.00 0.00 ? 3 DG A N9 4 +ATOM 1777 C C8 . DG A 1 3 ? 5.354 1.112 6.853 1.00 0.00 ? 3 DG A C8 4 +ATOM 1778 N N7 . DG A 1 3 ? 4.367 0.268 6.959 1.00 0.00 ? 3 DG A N7 4 +ATOM 1779 C C5 . DG A 1 3 ? 3.237 1.065 6.757 1.00 0.00 ? 3 DG A C5 4 +ATOM 1780 C C6 . DG A 1 3 ? 1.841 0.738 6.708 1.00 0.00 ? 3 DG A C6 4 +ATOM 1781 O O6 . DG A 1 3 ? 1.305 -0.355 6.829 1.00 0.00 ? 3 DG A O6 4 +ATOM 1782 N N1 . DG A 1 3 ? 1.010 1.819 6.506 1.00 0.00 ? 3 DG A N1 4 +ATOM 1783 C C2 . DG A 1 3 ? 1.471 3.072 6.286 1.00 0.00 ? 3 DG A C2 4 +ATOM 1784 N N2 . DG A 1 3 ? 0.564 3.992 6.108 1.00 0.00 ? 3 DG A N2 4 +ATOM 1785 N N3 . DG A 1 3 ? 2.757 3.421 6.304 1.00 0.00 ? 3 DG A N3 4 +ATOM 1786 C C4 . DG A 1 3 ? 3.601 2.376 6.548 1.00 0.00 ? 3 DG A C4 4 +ATOM 1787 H "H5'" . DG A 1 3 ? 8.859 3.089 3.638 1.00 0.00 ? 3 DG A "H5'" 4 +ATOM 1788 H "H5''" . DG A 1 3 ? 9.809 4.301 4.508 1.00 0.00 ? 3 DG A "H5''" 4 +ATOM 1789 H "H4'" . DG A 1 3 ? 7.573 4.977 4.571 1.00 0.00 ? 3 DG A "H4'" 4 +ATOM 1790 H "H3'" . DG A 1 3 ? 8.959 4.473 7.045 1.00 0.00 ? 3 DG A "H3'" 4 +ATOM 1791 H "H2'" . DG A 1 3 ? 7.390 2.806 7.646 1.00 0.00 ? 3 DG A "H2'" 4 +ATOM 1792 H "H2''" . DG A 1 3 ? 6.558 4.222 8.276 1.00 0.00 ? 3 DG A "H2''" 4 +ATOM 1793 H "H1'" . DG A 1 3 ? 5.303 4.485 6.173 1.00 0.00 ? 3 DG A "H1'" 4 +ATOM 1794 H H8 . DG A 1 3 ? 6.381 0.806 6.954 1.00 0.00 ? 3 DG A H8 4 +ATOM 1795 H H1 . DG A 1 3 ? 0.015 1.620 6.491 1.00 0.00 ? 3 DG A H1 4 +ATOM 1796 H H21 . DG A 1 3 ? -0.419 3.764 6.170 1.00 0.00 ? 3 DG A H21 4 +ATOM 1797 H H22 . DG A 1 3 ? 0.909 4.927 5.998 1.00 0.00 ? 3 DG A H22 4 +ATOM 1798 P P . DA A 1 4 ? 7.710 6.843 8.109 1.00 0.00 ? 4 DA A P 4 +ATOM 1799 O OP1 . DA A 1 4 ? 8.308 8.157 7.793 1.00 0.00 ? 4 DA A OP1 4 +ATOM 1800 O OP2 . DA A 1 4 ? 8.318 5.982 9.146 1.00 0.00 ? 4 DA A OP2 4 +ATOM 1801 O "O5'" . DA A 1 4 ? 6.163 7.073 8.489 1.00 0.00 ? 4 DA A "O5'" 4 +ATOM 1802 C "C5'" . DA A 1 4 ? 5.349 7.918 7.693 1.00 0.00 ? 4 DA A "C5'" 4 +ATOM 1803 C "C4'" . DA A 1 4 ? 3.884 7.923 8.153 1.00 0.00 ? 4 DA A "C4'" 4 +ATOM 1804 O "O4'" . DA A 1 4 ? 3.321 6.618 8.074 1.00 0.00 ? 4 DA A "O4'" 4 +ATOM 1805 C "C3'" . DA A 1 4 ? 3.657 8.445 9.585 1.00 0.00 ? 4 DA A "C3'" 4 +ATOM 1806 O "O3'" . DA A 1 4 ? 2.586 9.369 9.579 1.00 0.00 ? 4 DA A "O3'" 4 +ATOM 1807 C "C2'" . DA A 1 4 ? 3.324 7.155 10.331 1.00 0.00 ? 4 DA A "C2'" 4 +ATOM 1808 C "C1'" . DA A 1 4 ? 2.586 6.367 9.254 1.00 0.00 ? 4 DA A "C1'" 4 +ATOM 1809 N N9 . DA A 1 4 ? 2.651 4.913 9.506 1.00 0.00 ? 4 DA A N9 4 +ATOM 1810 C C8 . DA A 1 4 ? 3.756 4.116 9.699 1.00 0.00 ? 4 DA A C8 4 +ATOM 1811 N N7 . DA A 1 4 ? 3.490 2.844 9.815 1.00 0.00 ? 4 DA A N7 4 +ATOM 1812 C C5 . DA A 1 4 ? 2.099 2.802 9.690 1.00 0.00 ? 4 DA A C5 4 +ATOM 1813 C C6 . DA A 1 4 ? 1.126 1.779 9.692 1.00 0.00 ? 4 DA A C6 4 +ATOM 1814 N N6 . DA A 1 4 ? 1.392 0.495 9.828 1.00 0.00 ? 4 DA A N6 4 +ATOM 1815 N N1 . DA A 1 4 ? -0.170 2.064 9.532 1.00 0.00 ? 4 DA A N1 4 +ATOM 1816 C C2 . DA A 1 4 ? -0.525 3.334 9.380 1.00 0.00 ? 4 DA A C2 4 +ATOM 1817 N N3 . DA A 1 4 ? 0.273 4.394 9.372 1.00 0.00 ? 4 DA A N3 4 +ATOM 1818 C C4 . DA A 1 4 ? 1.583 4.060 9.523 1.00 0.00 ? 4 DA A C4 4 +ATOM 1819 H "H5'" . DA A 1 4 ? 5.370 7.582 6.654 1.00 0.00 ? 4 DA A "H5'" 4 +ATOM 1820 H "H5''" . DA A 1 4 ? 5.727 8.942 7.733 1.00 0.00 ? 4 DA A "H5''" 4 +ATOM 1821 H "H4'" . DA A 1 4 ? 3.338 8.559 7.453 1.00 0.00 ? 4 DA A "H4'" 4 +ATOM 1822 H "H3'" . DA A 1 4 ? 4.563 8.914 9.980 1.00 0.00 ? 4 DA A "H3'" 4 +ATOM 1823 H "H2'" . DA A 1 4 ? 4.250 6.667 10.631 1.00 0.00 ? 4 DA A "H2'" 4 +ATOM 1824 H "H2''" . DA A 1 4 ? 2.701 7.317 11.210 1.00 0.00 ? 4 DA A "H2''" 4 +ATOM 1825 H "H1'" . DA A 1 4 ? 1.563 6.741 9.142 1.00 0.00 ? 4 DA A "H1'" 4 +ATOM 1826 H H8 . DA A 1 4 ? 4.766 4.492 9.763 1.00 0.00 ? 4 DA A H8 4 +ATOM 1827 H H61 . DA A 1 4 ? 0.614 -0.151 9.828 1.00 0.00 ? 4 DA A H61 4 +ATOM 1828 H H62 . DA A 1 4 ? 2.346 0.198 9.934 1.00 0.00 ? 4 DA A H62 4 +ATOM 1829 H H2 . DA A 1 4 ? -1.576 3.537 9.263 1.00 0.00 ? 4 DA A H2 4 +ATOM 1830 P P . DT A 1 5 ? 2.115 10.141 10.906 1.00 0.00 ? 5 DT A P 4 +ATOM 1831 O OP1 . DT A 1 5 ? 1.854 11.554 10.562 1.00 0.00 ? 5 DT A OP1 4 +ATOM 1832 O OP2 . DT A 1 5 ? 3.044 9.805 12.007 1.00 0.00 ? 5 DT A OP2 4 +ATOM 1833 O "O5'" . DT A 1 5 ? 0.712 9.417 11.186 1.00 0.00 ? 5 DT A "O5'" 4 +ATOM 1834 C "C5'" . DT A 1 5 ? 0.140 9.368 12.480 1.00 0.00 ? 5 DT A "C5'" 4 +ATOM 1835 C "C4'" . DT A 1 5 ? -1.167 8.558 12.433 1.00 0.00 ? 5 DT A "C4'" 4 +ATOM 1836 O "O4'" . DT A 1 5 ? -0.891 7.238 11.961 1.00 0.00 ? 5 DT A "O4'" 4 +ATOM 1837 C "C3'" . DT A 1 5 ? -1.797 8.416 13.836 1.00 0.00 ? 5 DT A "C3'" 4 +ATOM 1838 O "O3'" . DT A 1 5 ? -3.210 8.445 13.764 1.00 0.00 ? 5 DT A "O3'" 4 +ATOM 1839 C "C2'" . DT A 1 5 ? -1.357 7.004 14.196 1.00 0.00 ? 5 DT A "C2'" 4 +ATOM 1840 C "C1'" . DT A 1 5 ? -1.484 6.318 12.845 1.00 0.00 ? 5 DT A "C1'" 4 +ATOM 1841 N N1 . DT A 1 5 ? -0.747 5.023 12.820 1.00 0.00 ? 5 DT A N1 4 +ATOM 1842 C C2 . DT A 1 5 ? -1.526 3.880 12.671 1.00 0.00 ? 5 DT A C2 4 +ATOM 1843 O O2 . DT A 1 5 ? -2.745 3.877 12.597 1.00 0.00 ? 5 DT A O2 4 +ATOM 1844 N N3 . DT A 1 5 ? -0.872 2.684 12.651 1.00 0.00 ? 5 DT A N3 4 +ATOM 1845 C C4 . DT A 1 5 ? 0.474 2.494 12.786 1.00 0.00 ? 5 DT A C4 4 +ATOM 1846 O O4 . DT A 1 5 ? 0.891 1.343 12.789 1.00 0.00 ? 5 DT A O4 4 +ATOM 1847 C C5 . DT A 1 5 ? 1.260 3.718 12.950 1.00 0.00 ? 5 DT A C5 4 +ATOM 1848 C C7 . DT A 1 5 ? 2.778 3.667 13.133 1.00 0.00 ? 5 DT A C7 4 +ATOM 1849 C C6 . DT A 1 5 ? 0.633 4.926 12.979 1.00 0.00 ? 5 DT A C6 4 +ATOM 1850 H "H5'" . DT A 1 5 ? -0.076 10.380 12.828 1.00 0.00 ? 5 DT A "H5'" 4 +ATOM 1851 H "H5''" . DT A 1 5 ? 0.831 8.890 13.177 1.00 0.00 ? 5 DT A "H5''" 4 +ATOM 1852 H "H4'" . DT A 1 5 ? -1.864 9.056 11.756 1.00 0.00 ? 5 DT A "H4'" 4 +ATOM 1853 H "H3'" . DT A 1 5 ? -1.372 9.124 14.552 1.00 0.00 ? 5 DT A "H3'" 4 +ATOM 1854 H "H2'" . DT A 1 5 ? -0.306 7.079 14.476 1.00 0.00 ? 5 DT A "H2'" 4 +ATOM 1855 H "H2''" . DT A 1 5 ? -1.938 6.491 14.983 1.00 0.00 ? 5 DT A "H2''" 4 +ATOM 1856 H "H1'" . DT A 1 5 ? -2.550 6.242 12.578 1.00 0.00 ? 5 DT A "H1'" 4 +ATOM 1857 H H3 . DT A 1 5 ? -1.463 1.867 12.583 1.00 0.00 ? 5 DT A H3 4 +ATOM 1858 H H71 . DT A 1 5 ? 3.027 3.709 14.194 1.00 0.00 ? 5 DT A H71 4 +ATOM 1859 H H72 . DT A 1 5 ? 3.187 2.744 12.715 1.00 0.00 ? 5 DT A H72 4 +ATOM 1860 H H73 . DT A 1 5 ? 3.263 4.503 12.624 1.00 0.00 ? 5 DT A H73 4 +ATOM 1861 H H6 . DT A 1 5 ? 1.257 5.785 13.203 1.00 0.00 ? 5 DT A H6 4 +ATOM 1862 P P . DC A 1 6 ? -4.074 9.633 14.424 1.00 0.00 ? 6 DC A P 4 +ATOM 1863 O OP1 . DC A 1 6 ? -5.289 9.832 13.607 1.00 0.00 ? 6 DC A OP1 4 +ATOM 1864 O OP2 . DC A 1 6 ? -3.176 10.775 14.699 1.00 0.00 ? 6 DC A OP2 4 +ATOM 1865 O "O5'" . DC A 1 6 ? -4.517 8.995 15.833 1.00 0.00 ? 6 DC A "O5'" 4 +ATOM 1866 C "C5'" . DC A 1 6 ? -3.585 8.727 16.869 1.00 0.00 ? 6 DC A "C5'" 4 +ATOM 1867 C "C4'" . DC A 1 6 ? -3.834 7.322 17.442 1.00 0.00 ? 6 DC A "C4'" 4 +ATOM 1868 O "O4'" . DC A 1 6 ? -3.610 6.343 16.419 1.00 0.00 ? 6 DC A "O4'" 4 +ATOM 1869 C "C3'" . DC A 1 6 ? -2.875 7.003 18.617 1.00 0.00 ? 6 DC A "C3'" 4 +ATOM 1870 O "O3'" . DC A 1 6 ? -3.535 6.339 19.671 1.00 0.00 ? 6 DC A "O3'" 4 +ATOM 1871 C "C2'" . DC A 1 6 ? -1.898 6.063 17.933 1.00 0.00 ? 6 DC A "C2'" 4 +ATOM 1872 C "C1'" . DC A 1 6 ? -2.851 5.314 16.997 1.00 0.00 ? 6 DC A "C1'" 4 +ATOM 1873 N N1 . DC A 1 6 ? -2.146 4.311 16.160 1.00 0.00 ? 6 DC A N1 4 +ATOM 1874 C C2 . DC A 1 6 ? -2.538 2.965 16.237 1.00 0.00 ? 6 DC A C2 4 +ATOM 1875 O O2 . DC A 1 6 ? -3.710 2.654 16.411 1.00 0.00 ? 6 DC A O2 4 +ATOM 1876 N N3 . DC A 1 6 ? -1.616 1.962 16.135 1.00 0.00 ? 6 DC A N3 4 +ATOM 1877 C C4 . DC A 1 6 ? -0.339 2.292 16.003 1.00 0.00 ? 6 DC A C4 4 +ATOM 1878 N N4 . DC A 1 6 ? 0.524 1.321 15.925 1.00 0.00 ? 6 DC A N4 4 +ATOM 1879 C C5 . DC A 1 6 ? 0.086 3.643 15.884 1.00 0.00 ? 6 DC A C5 4 +ATOM 1880 C C6 . DC A 1 6 ? -0.837 4.579 15.932 1.00 0.00 ? 6 DC A C6 4 +ATOM 1881 H "H5'" . DC A 1 6 ? -3.727 9.472 17.653 1.00 0.00 ? 6 DC A "H5'" 4 +ATOM 1882 H "H5''" . DC A 1 6 ? -2.547 8.782 16.534 1.00 0.00 ? 6 DC A "H5''" 4 +ATOM 1883 H "H4'" . DC A 1 6 ? -4.869 7.263 17.784 1.00 0.00 ? 6 DC A "H4'" 4 +ATOM 1884 H "H3'" . DC A 1 6 ? -2.351 7.900 18.952 1.00 0.00 ? 6 DC A "H3'" 4 +ATOM 1885 H "H2'" . DC A 1 6 ? -1.218 6.741 17.432 1.00 0.00 ? 6 DC A "H2'" 4 +ATOM 1886 H "H2''" . DC A 1 6 ? -1.273 5.371 18.507 1.00 0.00 ? 6 DC A "H2''" 4 +ATOM 1887 H "H1'" . DC A 1 6 ? -3.585 4.814 17.541 1.00 0.00 ? 6 DC A "H1'" 4 +ATOM 1888 H H41 . DC A 1 6 ? 0.143 0.396 16.045 1.00 0.00 ? 6 DC A H41 4 +ATOM 1889 H H42 . DC A 1 6 ? 1.496 1.509 15.777 1.00 0.00 ? 6 DC A H42 4 +ATOM 1890 H H5 . DC A 1 6 ? 1.014 4.157 15.908 1.00 0.00 ? 6 DC A H5 4 +ATOM 1891 H H6 . DC A 1 6 ? -0.419 5.563 15.907 1.00 0.00 ? 6 DC A H6 4 +ATOM 1892 P P . DC A 1 7 ? -2.889 6.296 21.139 1.00 0.00 ? 7 DC A P 4 +ATOM 1893 O OP1 . DC A 1 7 ? -3.293 7.522 21.856 1.00 0.00 ? 7 DC A OP1 4 +ATOM 1894 O OP2 . DC A 1 7 ? -1.458 5.956 20.993 1.00 0.00 ? 7 DC A OP2 4 +ATOM 1895 O "O5'" . DC A 1 7 ? -3.631 5.030 21.791 1.00 0.00 ? 7 DC A "O5'" 4 +ATOM 1896 C "C5'" . DC A 1 7 ? -5.002 5.056 22.146 1.00 0.00 ? 7 DC A "C5'" 4 +ATOM 1897 C "C4'" . DC A 1 7 ? -5.599 3.650 22.390 1.00 0.00 ? 7 DC A "C4'" 4 +ATOM 1898 O "O4'" . DC A 1 7 ? -5.708 2.910 21.151 1.00 0.00 ? 7 DC A "O4'" 4 +ATOM 1899 C "C3'" . DC A 1 7 ? -4.748 2.766 23.325 1.00 0.00 ? 7 DC A "C3'" 4 +ATOM 1900 O "O3'" . DC A 1 7 ? -5.542 1.783 23.956 1.00 0.00 ? 7 DC A "O3'" 4 +ATOM 1901 C "C2'" . DC A 1 7 ? -3.860 2.064 22.306 1.00 0.00 ? 7 DC A "C2'" 4 +ATOM 1902 C "C1'" . DC A 1 7 ? -4.832 1.774 21.159 1.00 0.00 ? 7 DC A "C1'" 4 +ATOM 1903 N N1 . DC A 1 7 ? -4.015 1.648 19.918 1.00 0.00 ? 7 DC A N1 4 +ATOM 1904 C C2 . DC A 1 7 ? -3.658 0.332 19.623 1.00 0.00 ? 7 DC A C2 4 +ATOM 1905 O O2 . DC A 1 7 ? -4.485 -0.569 19.663 1.00 0.00 ? 7 DC A O2 4 +ATOM 1906 N N3 . DC A 1 7 ? -2.373 0.003 19.335 1.00 0.00 ? 7 DC A N3 4 +ATOM 1907 C C4 . DC A 1 7 ? -1.487 0.976 19.253 1.00 0.00 ? 7 DC A C4 4 +ATOM 1908 N N4 . DC A 1 7 ? -0.243 0.624 19.108 1.00 0.00 ? 7 DC A N4 4 +ATOM 1909 C C5 . DC A 1 7 ? -1.826 2.346 19.399 1.00 0.00 ? 7 DC A C5 4 +ATOM 1910 C C6 . DC A 1 7 ? -3.115 2.653 19.645 1.00 0.00 ? 7 DC A C6 4 +ATOM 1911 H "H5'" . DC A 1 7 ? -5.593 5.533 21.361 1.00 0.00 ? 7 DC A "H5'" 4 +ATOM 1912 H "H5''" . DC A 1 7 ? -5.105 5.647 23.058 1.00 0.00 ? 7 DC A "H5''" 4 +ATOM 1913 H "H4'" . DC A 1 7 ? -6.575 3.890 22.851 1.00 0.00 ? 7 DC A "H4'" 4 +ATOM 1914 H "H3'" . DC A 1 7 ? -4.146 3.349 24.033 1.00 0.00 ? 7 DC A "H3'" 4 +ATOM 1915 H "H2'" . DC A 1 7 ? -3.097 2.782 22.059 1.00 0.00 ? 7 DC A "H2'" 4 +ATOM 1916 H "H2''" . DC A 1 7 ? -3.295 1.188 22.589 1.00 0.00 ? 7 DC A "H2''" 4 +ATOM 1917 H "H1'" . DC A 1 7 ? -5.368 0.821 21.386 1.00 0.00 ? 7 DC A "H1'" 4 +ATOM 1918 H H41 . DC A 1 7 ? -0.084 -0.370 19.076 1.00 0.00 ? 7 DC A H41 4 +ATOM 1919 H H42 . DC A 1 7 ? 0.480 1.299 19.304 1.00 0.00 ? 7 DC A H42 4 +ATOM 1920 H H5 . DC A 1 7 ? -1.104 3.122 19.510 1.00 0.00 ? 7 DC A H5 4 +ATOM 1921 H H6 . DC A 1 7 ? -3.353 3.705 19.776 1.00 0.00 ? 7 DC A H6 4 +ATOM 1922 P P . DU A 1 8 ? -6.101 2.030 25.434 1.00 0.00 ? 8 DU A P 4 +ATOM 1923 O OP1 . DU A 1 8 ? -7.106 0.994 25.752 1.00 0.00 ? 8 DU A OP1 4 +ATOM 1924 O OP2 . DU A 1 8 ? -6.419 3.465 25.582 1.00 0.00 ? 8 DU A OP2 4 +ATOM 1925 O "O5'" . DU A 1 8 ? -4.764 1.699 26.257 1.00 0.00 ? 8 DU A "O5'" 4 +ATOM 1926 C "C5'" . DU A 1 8 ? -4.375 0.354 26.486 1.00 0.00 ? 8 DU A "C5'" 4 +ATOM 1927 C "C4'" . DU A 1 8 ? -2.865 0.252 26.748 1.00 0.00 ? 8 DU A "C4'" 4 +ATOM 1928 O "O4'" . DU A 1 8 ? -2.141 0.348 25.512 1.00 0.00 ? 8 DU A "O4'" 4 +ATOM 1929 C "C3'" . DU A 1 8 ? -2.291 1.348 27.676 1.00 0.00 ? 8 DU A "C3'" 4 +ATOM 1930 O "O3'" . DU A 1 8 ? -1.407 0.757 28.640 1.00 0.00 ? 8 DU A "O3'" 4 +ATOM 1931 C "C2'" . DU A 1 8 ? -1.538 2.239 26.678 1.00 0.00 ? 8 DU A "C2'" 4 +ATOM 1932 C "C1'" . DU A 1 8 ? -1.016 1.182 25.711 1.00 0.00 ? 8 DU A "C1'" 4 +ATOM 1933 N N1 . DU A 1 8 ? -0.432 1.610 24.430 1.00 0.00 ? 8 DU A N1 4 +ATOM 1934 C C2 . DU A 1 8 ? 0.352 0.654 23.783 1.00 0.00 ? 8 DU A C2 4 +ATOM 1935 O O2 . DU A 1 8 ? 0.680 -0.418 24.269 1.00 0.00 ? 8 DU A O2 4 +ATOM 1936 N N3 . DU A 1 8 ? 0.834 0.986 22.543 1.00 0.00 ? 8 DU A N3 4 +ATOM 1937 C C4 . DU A 1 8 ? 0.628 2.181 21.902 1.00 0.00 ? 8 DU A C4 4 +ATOM 1938 O O4 . DU A 1 8 ? 1.143 2.353 20.803 1.00 0.00 ? 8 DU A O4 4 +ATOM 1939 C C5 . DU A 1 8 ? -0.183 3.136 22.630 1.00 0.00 ? 8 DU A C5 4 +ATOM 1940 C C6 . DU A 1 8 ? -0.695 2.842 23.853 1.00 0.00 ? 8 DU A C6 4 +ATOM 1941 H "H5'" . DU A 1 8 ? -4.600 -0.285 25.628 1.00 0.00 ? 8 DU A "H5'" 4 +ATOM 1942 H "H5''" . DU A 1 8 ? -4.915 -0.027 27.354 1.00 0.00 ? 8 DU A "H5''" 4 +ATOM 1943 H "H4'" . DU A 1 8 ? -2.646 -0.738 27.175 1.00 0.00 ? 8 DU A "H4'" 4 +ATOM 1944 H "H3'" . DU A 1 8 ? -3.124 1.882 28.158 1.00 0.00 ? 8 DU A "H3'" 4 +ATOM 1945 H "H2'" . DU A 1 8 ? -2.282 2.889 26.209 1.00 0.00 ? 8 DU A "H2'" 4 +ATOM 1946 H "H2''" . DU A 1 8 ? -0.733 2.822 27.142 1.00 0.00 ? 8 DU A "H2''" 4 +ATOM 1947 H "H1'" . DU A 1 8 ? -0.304 0.560 26.278 1.00 0.00 ? 8 DU A "H1'" 4 +ATOM 1948 H H3 . DU A 1 8 ? 1.340 0.266 22.049 1.00 0.00 ? 8 DU A H3 4 +ATOM 1949 H H5 . DU A 1 8 ? -0.379 4.095 22.177 1.00 0.00 ? 8 DU A H5 4 +ATOM 1950 H H6 . DU A 1 8 ? -1.296 3.609 24.319 1.00 0.00 ? 8 DU A H6 4 +ATOM 1951 P P . DT A 1 9 ? -1.107 1.730 29.904 1.00 0.00 ? 9 DT A P 4 +ATOM 1952 O OP1 . DT A 1 9 ? -2.272 1.627 30.810 1.00 0.00 ? 9 DT A OP1 4 +ATOM 1953 O OP2 . DT A 1 9 ? -0.684 3.069 29.435 1.00 0.00 ? 9 DT A OP2 4 +ATOM 1954 O "O5'" . DT A 1 9 ? 0.141 1.010 30.634 1.00 0.00 ? 9 DT A "O5'" 4 +ATOM 1955 C "C5'" . DT A 1 9 ? 1.492 1.159 30.211 1.00 0.00 ? 9 DT A "C5'" 4 +ATOM 1956 C "C4'" . DT A 1 9 ? 1.783 0.694 28.768 1.00 0.00 ? 9 DT A "C4'" 4 +ATOM 1957 O "O4'" . DT A 1 9 ? 1.368 1.698 27.855 1.00 0.00 ? 9 DT A "O4'" 4 +ATOM 1958 C "C3'" . DT A 1 9 ? 3.292 0.473 28.521 1.00 0.00 ? 9 DT A "C3'" 4 +ATOM 1959 O "O3'" . DT A 1 9 ? 3.598 -0.881 28.243 1.00 0.00 ? 9 DT A "O3'" 4 +ATOM 1960 C "C2'" . DT A 1 9 ? 3.609 1.256 27.242 1.00 0.00 ? 9 DT A "C2'" 4 +ATOM 1961 C "C1'" . DT A 1 9 ? 2.267 1.797 26.776 1.00 0.00 ? 9 DT A "C1'" 4 +ATOM 1962 N N1 . DT A 1 9 ? 2.384 3.209 26.287 1.00 0.00 ? 9 DT A N1 4 +ATOM 1963 C C2 . DT A 1 9 ? 2.355 4.218 27.258 1.00 0.00 ? 9 DT A C2 4 +ATOM 1964 O O2 . DT A 1 9 ? 2.517 4.052 28.457 1.00 0.00 ? 9 DT A O2 4 +ATOM 1965 N N3 . DT A 1 9 ? 2.233 5.506 26.809 1.00 0.00 ? 9 DT A N3 4 +ATOM 1966 C C4 . DT A 1 9 ? 2.317 5.910 25.502 1.00 0.00 ? 9 DT A C4 4 +ATOM 1967 O O4 . DT A 1 9 ? 2.205 7.104 25.265 1.00 0.00 ? 9 DT A O4 4 +ATOM 1968 C C5 . DT A 1 9 ? 2.594 4.840 24.542 1.00 0.00 ? 9 DT A C5 4 +ATOM 1969 C C7 . DT A 1 9 ? 2.880 5.161 23.072 1.00 0.00 ? 9 DT A C7 4 +ATOM 1970 C C6 . DT A 1 9 ? 2.622 3.544 24.959 1.00 0.00 ? 9 DT A C6 4 +ATOM 1971 H "H5'" . DT A 1 9 ? 2.082 0.541 30.891 1.00 0.00 ? 9 DT A "H5'" 4 +ATOM 1972 H "H5''" . DT A 1 9 ? 1.814 2.193 30.344 1.00 0.00 ? 9 DT A "H5''" 4 +ATOM 1973 H "H4'" . DT A 1 9 ? 1.228 -0.227 28.590 1.00 0.00 ? 9 DT A "H4'" 4 +ATOM 1974 H "H3'" . DT A 1 9 ? 3.905 0.861 29.339 1.00 0.00 ? 9 DT A "H3'" 4 +ATOM 1975 H "H2'" . DT A 1 9 ? 4.286 2.081 27.452 1.00 0.00 ? 9 DT A "H2'" 4 +ATOM 1976 H "H2''" . DT A 1 9 ? 4.057 0.638 26.466 1.00 0.00 ? 9 DT A "H2''" 4 +ATOM 1977 H "H1'" . DT A 1 9 ? 1.859 1.092 26.052 1.00 0.00 ? 9 DT A "H1'" 4 +ATOM 1978 H H3 . DT A 1 9 ? 2.130 6.212 27.508 1.00 0.00 ? 9 DT A H3 4 +ATOM 1979 H H71 . DT A 1 9 ? 2.756 4.292 22.423 1.00 0.00 ? 9 DT A H71 4 +ATOM 1980 H H72 . DT A 1 9 ? 2.195 5.934 22.721 1.00 0.00 ? 9 DT A H72 4 +ATOM 1981 H H73 . DT A 1 9 ? 3.902 5.529 22.968 1.00 0.00 ? 9 DT A H73 4 +ATOM 1982 H H6 . DT A 1 9 ? 2.906 2.822 24.207 1.00 0.00 ? 9 DT A H6 4 +ATOM 1983 P P . DT A 1 10 B 3.581 -1.998 29.393 1.00 0.00 ? 1 DT A P 4 +ATOM 1984 O OP1 . DT A 1 10 B 2.193 -2.117 29.892 1.00 0.00 ? 1 DT A OP1 4 +ATOM 1985 O OP2 . DT A 1 10 B 4.689 -1.700 30.324 1.00 0.00 ? 1 DT A OP2 4 +ATOM 1986 O "O5'" . DT A 1 10 B 3.918 -3.344 28.583 1.00 0.00 ? 1 DT A "O5'" 4 +ATOM 1987 C "C5'" . DT A 1 10 B 5.188 -3.578 28.002 1.00 0.00 ? 1 DT A "C5'" 4 +ATOM 1988 C "C4'" . DT A 1 10 B 5.162 -4.881 27.175 1.00 0.00 ? 1 DT A "C4'" 4 +ATOM 1989 O "O4'" . DT A 1 10 B 4.244 -4.736 26.092 1.00 0.00 ? 1 DT A "O4'" 4 +ATOM 1990 C "C3'" . DT A 1 10 B 6.547 -5.162 26.550 1.00 0.00 ? 1 DT A "C3'" 4 +ATOM 1991 O "O3'" . DT A 1 10 B 6.778 -6.502 26.162 1.00 0.00 ? 1 DT A "O3'" 4 +ATOM 1992 C "C2'" . DT A 1 10 B 6.427 -4.375 25.252 1.00 0.00 ? 1 DT A "C2'" 4 +ATOM 1993 C "C1'" . DT A 1 10 B 4.970 -4.688 24.884 1.00 0.00 ? 1 DT A "C1'" 4 +ATOM 1994 N N1 . DT A 1 10 B 4.295 -3.752 23.946 1.00 0.00 ? 1 DT A N1 4 +ATOM 1995 C C2 . DT A 1 10 B 3.263 -4.284 23.170 1.00 0.00 ? 1 DT A C2 4 +ATOM 1996 O O2 . DT A 1 10 B 2.936 -5.463 23.172 1.00 0.00 ? 1 DT A O2 4 +ATOM 1997 N N3 . DT A 1 10 B 2.603 -3.421 22.334 1.00 0.00 ? 1 DT A N3 4 +ATOM 1998 C C4 . DT A 1 10 B 2.764 -2.056 22.301 1.00 0.00 ? 1 DT A C4 4 +ATOM 1999 O O4 . DT A 1 10 B 2.073 -1.394 21.540 1.00 0.00 ? 1 DT A O4 4 +ATOM 2000 C C5 . DT A 1 10 B 3.787 -1.533 23.207 1.00 0.00 ? 1 DT A C5 4 +ATOM 2001 C C7 . DT A 1 10 B 4.056 -0.032 23.317 1.00 0.00 ? 1 DT A C7 4 +ATOM 2002 C C6 . DT A 1 10 B 4.502 -2.384 23.987 1.00 0.00 ? 1 DT A C6 4 +ATOM 2003 H "H5'" . DT A 1 10 B 5.934 -3.674 28.795 1.00 0.00 ? 1 DT A "H5'" 4 +ATOM 2004 H "H5''" . DT A 1 10 B 5.461 -2.739 27.360 1.00 0.00 ? 1 DT A "H5''" 4 +ATOM 2005 H "H4'" . DT A 1 10 B 4.849 -5.685 27.838 1.00 0.00 ? 1 DT A "H4'" 4 +ATOM 2006 H "H3'" . DT A 1 10 B 7.373 -4.787 27.161 1.00 0.00 ? 1 DT A "H3'" 4 +ATOM 2007 H "H2'" . DT A 1 10 B 6.625 -3.333 25.480 1.00 0.00 ? 1 DT A "H2'" 4 +ATOM 2008 H "H2''" . DT A 1 10 B 7.125 -4.720 24.488 1.00 0.00 ? 1 DT A "H2''" 4 +ATOM 2009 H "H1'" . DT A 1 10 B 4.980 -5.700 24.472 1.00 0.00 ? 1 DT A "H1'" 4 +ATOM 2010 H H3 . DT A 1 10 B 1.958 -3.845 21.676 1.00 0.00 ? 1 DT A H3 4 +ATOM 2011 H H71 . DT A 1 10 B 5.058 0.180 23.696 1.00 0.00 ? 1 DT A H71 4 +ATOM 2012 H H72 . DT A 1 10 B 3.962 0.434 22.338 1.00 0.00 ? 1 DT A H72 4 +ATOM 2013 H H73 . DT A 1 10 B 3.322 0.408 23.993 1.00 0.00 ? 1 DT A H73 4 +ATOM 2014 H H6 . DT A 1 10 B 5.221 -1.942 24.654 1.00 0.00 ? 1 DT A H6 4 +ATOM 2015 P P . DT A 1 11 B 7.042 -7.670 27.230 1.00 0.00 ? 2 DT A P 4 +ATOM 2016 O OP1 . DT A 1 11 B 7.747 -7.077 28.387 1.00 0.00 ? 2 DT A OP1 4 +ATOM 2017 O OP2 . DT A 1 11 B 7.635 -8.818 26.513 1.00 0.00 ? 2 DT A OP2 4 +ATOM 2018 O "O5'" . DT A 1 11 B 5.554 -8.071 27.678 1.00 0.00 ? 2 DT A "O5'" 4 +ATOM 2019 C "C5'" . DT A 1 11 B 4.611 -8.557 26.736 1.00 0.00 ? 2 DT A "C5'" 4 +ATOM 2020 C "C4'" . DT A 1 11 B 3.205 -8.621 27.357 1.00 0.00 ? 2 DT A "C4'" 4 +ATOM 2021 O "O4'" . DT A 1 11 B 2.769 -7.309 27.710 1.00 0.00 ? 2 DT A "O4'" 4 +ATOM 2022 C "C3'" . DT A 1 11 B 2.172 -9.182 26.361 1.00 0.00 ? 2 DT A "C3'" 4 +ATOM 2023 O "O3'" . DT A 1 11 B 1.281 -10.097 26.969 1.00 0.00 ? 2 DT A "O3'" 4 +ATOM 2024 C "C2'" . DT A 1 11 B 1.424 -7.921 25.972 1.00 0.00 ? 2 DT A "C2'" 4 +ATOM 2025 C "C1'" . DT A 1 11 B 1.442 -7.121 27.268 1.00 0.00 ? 2 DT A "C1'" 4 +ATOM 2026 N N1 . DT A 1 11 B 1.133 -5.668 27.126 1.00 0.00 ? 2 DT A N1 4 +ATOM 2027 C C2 . DT A 1 11 B 1.178 -4.921 28.305 1.00 0.00 ? 2 DT A C2 4 +ATOM 2028 O O2 . DT A 1 11 B 1.481 -5.387 29.395 1.00 0.00 ? 2 DT A O2 4 +ATOM 2029 N N3 . DT A 1 11 B 0.779 -3.612 28.228 1.00 0.00 ? 2 DT A N3 4 +ATOM 2030 C C4 . DT A 1 11 B 0.294 -2.979 27.111 1.00 0.00 ? 2 DT A C4 4 +ATOM 2031 O O4 . DT A 1 11 B -0.082 -1.819 27.208 1.00 0.00 ? 2 DT A O4 4 +ATOM 2032 C C5 . DT A 1 11 B 0.264 -3.803 25.899 1.00 0.00 ? 2 DT A C5 4 +ATOM 2033 C C7 . DT A 1 11 B -0.320 -3.275 24.586 1.00 0.00 ? 2 DT A C7 4 +ATOM 2034 C C6 . DT A 1 11 B 0.701 -5.089 25.941 1.00 0.00 ? 2 DT A C6 4 +ATOM 2035 H "H5'" . DT A 1 11 B 4.909 -9.558 26.415 1.00 0.00 ? 2 DT A "H5'" 4 +ATOM 2036 H "H5''" . DT A 1 11 B 4.565 -7.906 25.860 1.00 0.00 ? 2 DT A "H5''" 4 +ATOM 2037 H "H4'" . DT A 1 11 B 3.241 -9.249 28.249 1.00 0.00 ? 2 DT A "H4'" 4 +ATOM 2038 H "H3'" . DT A 1 11 B 2.662 -9.604 25.482 1.00 0.00 ? 2 DT A "H3'" 4 +ATOM 2039 H "H2'" . DT A 1 11 B 2.000 -7.410 25.204 1.00 0.00 ? 2 DT A "H2'" 4 +ATOM 2040 H "H2''" . DT A 1 11 B 0.409 -8.156 25.654 1.00 0.00 ? 2 DT A "H2''" 4 +ATOM 2041 H "H1'" . DT A 1 11 B 0.752 -7.582 27.980 1.00 0.00 ? 2 DT A "H1'" 4 +ATOM 2042 H H3 . DT A 1 11 B 1.084 -3.019 29.007 1.00 0.00 ? 2 DT A H3 4 +ATOM 2043 H H71 . DT A 1 11 B -0.943 -2.396 24.765 1.00 0.00 ? 2 DT A H71 4 +ATOM 2044 H H72 . DT A 1 11 B 0.485 -2.987 23.912 1.00 0.00 ? 2 DT A H72 4 +ATOM 2045 H H73 . DT A 1 11 B -0.938 -4.031 24.097 1.00 0.00 ? 2 DT A H73 4 +ATOM 2046 H H6 . DT A 1 11 B 0.709 -5.623 25.002 1.00 0.00 ? 2 DT A H6 4 +ATOM 2047 P P . DG A 1 12 B 0.459 -11.172 26.093 1.00 0.00 ? 3 DG A P 4 +ATOM 2048 O OP1 . DG A 1 12 B -0.403 -11.940 27.016 1.00 0.00 ? 3 DG A OP1 4 +ATOM 2049 O OP2 . DG A 1 12 B 1.432 -11.885 25.238 1.00 0.00 ? 3 DG A OP2 4 +ATOM 2050 O "O5'" . DG A 1 12 B -0.500 -10.287 25.138 1.00 0.00 ? 3 DG A "O5'" 4 +ATOM 2051 C "C5'" . DG A 1 12 B -0.370 -10.292 23.721 1.00 0.00 ? 3 DG A "C5'" 4 +ATOM 2052 C "C4'" . DG A 1 12 B -1.397 -9.341 23.066 1.00 0.00 ? 3 DG A "C4'" 4 +ATOM 2053 O "O4'" . DG A 1 12 B -0.898 -7.997 22.960 1.00 0.00 ? 3 DG A "O4'" 4 +ATOM 2054 C "C3'" . DG A 1 12 B -1.791 -9.775 21.631 1.00 0.00 ? 3 DG A "C3'" 4 +ATOM 2055 O "O3'" . DG A 1 12 B -3.198 -9.676 21.481 1.00 0.00 ? 3 DG A "O3'" 4 +ATOM 2056 C "C2'" . DG A 1 12 B -1.094 -8.702 20.798 1.00 0.00 ? 3 DG A "C2'" 4 +ATOM 2057 C "C1'" . DG A 1 12 B -1.312 -7.500 21.698 1.00 0.00 ? 3 DG A "C1'" 4 +ATOM 2058 N N9 . DG A 1 12 B -0.578 -6.306 21.226 1.00 0.00 ? 3 DG A N9 4 +ATOM 2059 C C8 . DG A 1 12 B 0.746 -6.167 20.895 1.00 0.00 ? 3 DG A C8 4 +ATOM 2060 N N7 . DG A 1 12 B 1.075 -4.971 20.484 1.00 0.00 ? 3 DG A N7 4 +ATOM 2061 C C5 . DG A 1 12 B -0.144 -4.282 20.471 1.00 0.00 ? 3 DG A C5 4 +ATOM 2062 C C6 . DG A 1 12 B -0.509 -2.975 19.995 1.00 0.00 ? 3 DG A C6 4 +ATOM 2063 O O6 . DG A 1 12 B 0.197 -2.124 19.475 1.00 0.00 ? 3 DG A O6 4 +ATOM 2064 N N1 . DG A 1 12 B -1.849 -2.673 20.132 1.00 0.00 ? 3 DG A N1 4 +ATOM 2065 C C2 . DG A 1 12 B -2.770 -3.575 20.543 1.00 0.00 ? 3 DG A C2 4 +ATOM 2066 N N2 . DG A 1 12 B -4.016 -3.272 20.317 1.00 0.00 ? 3 DG A N2 4 +ATOM 2067 N N3 . DG A 1 12 B -2.489 -4.822 20.908 1.00 0.00 ? 3 DG A N3 4 +ATOM 2068 C C4 . DG A 1 12 B -1.158 -5.109 20.888 1.00 0.00 ? 3 DG A C4 4 +ATOM 2069 H "H5'" . DG A 1 12 B -0.561 -11.312 23.382 1.00 0.00 ? 3 DG A "H5'" 4 +ATOM 2070 H "H5''" . DG A 1 12 B 0.639 -10.006 23.415 1.00 0.00 ? 3 DG A "H5''" 4 +ATOM 2071 H "H4'" . DG A 1 12 B -2.292 -9.353 23.695 1.00 0.00 ? 3 DG A "H4'" 4 +ATOM 2072 H "H3'" . DG A 1 12 B -1.437 -10.778 21.382 1.00 0.00 ? 3 DG A "H3'" 4 +ATOM 2073 H "H2'" . DG A 1 12 B -0.034 -8.933 20.725 1.00 0.00 ? 3 DG A "H2'" 4 +ATOM 2074 H "H2''" . DG A 1 12 B -1.507 -8.552 19.804 1.00 0.00 ? 3 DG A "H2''" 4 +ATOM 2075 H "H1'" . DG A 1 12 B -2.374 -7.268 21.735 1.00 0.00 ? 3 DG A "H1'" 4 +ATOM 2076 H H8 . DG A 1 12 B 1.456 -6.978 20.935 1.00 0.00 ? 3 DG A H8 4 +ATOM 2077 H H1 . DG A 1 12 B -2.137 -1.762 19.797 1.00 0.00 ? 3 DG A H1 4 +ATOM 2078 H H21 . DG A 1 12 B -4.261 -2.368 19.941 1.00 0.00 ? 3 DG A H21 4 +ATOM 2079 H H22 . DG A 1 12 B -4.635 -4.069 20.289 1.00 0.00 ? 3 DG A H22 4 +ATOM 2080 P P . DG A 1 13 B -3.967 -10.246 20.187 1.00 0.00 ? 4 DG A P 4 +ATOM 2081 O OP1 . DG A 1 13 B -4.739 -11.433 20.609 1.00 0.00 ? 4 DG A OP1 4 +ATOM 2082 O OP2 . DG A 1 13 B -2.996 -10.358 19.078 1.00 0.00 ? 4 DG A OP2 4 +ATOM 2083 O "O5'" . DG A 1 13 B -5.002 -9.059 19.828 1.00 0.00 ? 4 DG A "O5'" 4 +ATOM 2084 C "C5'" . DG A 1 13 B -4.563 -7.720 19.675 1.00 0.00 ? 4 DG A "C5'" 4 +ATOM 2085 C "C4'" . DG A 1 13 B -5.644 -6.829 19.036 1.00 0.00 ? 4 DG A "C4'" 4 +ATOM 2086 O "O4'" . DG A 1 13 B -5.118 -5.504 18.943 1.00 0.00 ? 4 DG A "O4'" 4 +ATOM 2087 C "C3'" . DG A 1 13 B -6.000 -7.274 17.607 1.00 0.00 ? 4 DG A "C3'" 4 +ATOM 2088 O "O3'" . DG A 1 13 B -7.299 -6.829 17.264 1.00 0.00 ? 4 DG A "O3'" 4 +ATOM 2089 C "C2'" . DG A 1 13 B -4.939 -6.502 16.838 1.00 0.00 ? 4 DG A "C2'" 4 +ATOM 2090 C "C1'" . DG A 1 13 B -4.933 -5.162 17.576 1.00 0.00 ? 4 DG A "C1'" 4 +ATOM 2091 N N9 . DG A 1 13 B -3.641 -4.465 17.398 1.00 0.00 ? 4 DG A N9 4 +ATOM 2092 C C8 . DG A 1 13 B -2.384 -5.005 17.464 1.00 0.00 ? 4 DG A C8 4 +ATOM 2093 N N7 . DG A 1 13 B -1.420 -4.172 17.191 1.00 0.00 ? 4 DG A N7 4 +ATOM 2094 C C5 . DG A 1 13 B -2.092 -2.975 16.918 1.00 0.00 ? 4 DG A C5 4 +ATOM 2095 C C6 . DG A 1 13 B -1.616 -1.669 16.555 1.00 0.00 ? 4 DG A C6 4 +ATOM 2096 O O6 . DG A 1 13 B -0.466 -1.298 16.359 1.00 0.00 ? 4 DG A O6 4 +ATOM 2097 N N1 . DG A 1 13 B -2.608 -0.723 16.394 1.00 0.00 ? 4 DG A N1 4 +ATOM 2098 C C2 . DG A 1 13 B -3.921 -1.002 16.558 1.00 0.00 ? 4 DG A C2 4 +ATOM 2099 N N2 . DG A 1 13 B -4.744 -0.006 16.382 1.00 0.00 ? 4 DG A N2 4 +ATOM 2100 N N3 . DG A 1 13 B -4.415 -2.205 16.847 1.00 0.00 ? 4 DG A N3 4 +ATOM 2101 C C4 . DG A 1 13 B -3.452 -3.154 17.026 1.00 0.00 ? 4 DG A C4 4 +ATOM 2102 H "H5'" . DG A 1 13 B -3.656 -7.679 19.070 1.00 0.00 ? 4 DG A "H5'" 4 +ATOM 2103 H "H5''" . DG A 1 13 B -4.339 -7.314 20.662 1.00 0.00 ? 4 DG A "H5''" 4 +ATOM 2104 H "H4'" . DG A 1 13 B -6.530 -6.845 19.672 1.00 0.00 ? 4 DG A "H4'" 4 +ATOM 2105 H "H3'" . DG A 1 13 B -5.918 -8.358 17.486 1.00 0.00 ? 4 DG A "H3'" 4 +ATOM 2106 H "H2'" . DG A 1 13 B -4.004 -7.047 16.939 1.00 0.00 ? 4 DG A "H2'" 4 +ATOM 2107 H "H2''" . DG A 1 13 B -5.141 -6.395 15.781 1.00 0.00 ? 4 DG A "H2''" 4 +ATOM 2108 H "H1'" . DG A 1 13 B -5.774 -4.554 17.237 1.00 0.00 ? 4 DG A "H1'" 4 +ATOM 2109 H H8 . DG A 1 13 B -2.210 -6.042 17.703 1.00 0.00 ? 4 DG A H8 4 +ATOM 2110 H H1 . DG A 1 13 B -2.308 0.233 16.235 1.00 0.00 ? 4 DG A H1 4 +ATOM 2111 H H21 . DG A 1 13 B -4.394 0.931 16.237 1.00 0.00 ? 4 DG A H21 4 +ATOM 2112 H H22 . DG A 1 13 B -5.715 -0.225 16.503 1.00 0.00 ? 4 DG A H22 4 +ATOM 2113 P P . DA A 1 14 B -7.958 -7.173 15.838 1.00 0.00 ? 5 DA A P 4 +ATOM 2114 O OP1 . DA A 1 14 B -9.390 -7.468 16.057 1.00 0.00 ? 5 DA A OP1 4 +ATOM 2115 O OP2 . DA A 1 14 B -7.099 -8.157 15.146 1.00 0.00 ? 5 DA A OP2 4 +ATOM 2116 O "O5'" . DA A 1 14 B -7.849 -5.773 15.047 1.00 0.00 ? 5 DA A "O5'" 4 +ATOM 2117 C "C5'" . DA A 1 14 B -8.697 -4.685 15.378 1.00 0.00 ? 5 DA A "C5'" 4 +ATOM 2118 C "C4'" . DA A 1 14 B -8.490 -3.482 14.443 1.00 0.00 ? 5 DA A "C4'" 4 +ATOM 2119 O "O4'" . DA A 1 14 B -7.206 -2.893 14.626 1.00 0.00 ? 5 DA A "O4'" 4 +ATOM 2120 C "C3'" . DA A 1 14 B -8.641 -3.819 12.945 1.00 0.00 ? 5 DA A "C3'" 4 +ATOM 2121 O "O3'" . DA A 1 14 B -9.491 -2.877 12.317 1.00 0.00 ? 5 DA A "O3'" 4 +ATOM 2122 C "C2'" . DA A 1 14 B -7.198 -3.681 12.466 1.00 0.00 ? 5 DA A "C2'" 4 +ATOM 2123 C "C1'" . DA A 1 14 B -6.703 -2.540 13.355 1.00 0.00 ? 5 DA A "C1'" 4 +ATOM 2124 N N9 . DA A 1 14 B -5.229 -2.485 13.432 1.00 0.00 ? 5 DA A N9 4 +ATOM 2125 C C8 . DA A 1 14 B -4.336 -3.473 13.772 1.00 0.00 ? 5 DA A C8 4 +ATOM 2126 N N7 . DA A 1 14 B -3.086 -3.098 13.761 1.00 0.00 ? 5 DA A N7 4 +ATOM 2127 C C5 . DA A 1 14 B -3.163 -1.751 13.395 1.00 0.00 ? 5 DA A C5 4 +ATOM 2128 C C6 . DA A 1 14 B -2.227 -0.713 13.188 1.00 0.00 ? 5 DA A C6 4 +ATOM 2129 N N6 . DA A 1 14 B -0.922 -0.849 13.310 1.00 0.00 ? 5 DA A N6 4 +ATOM 2130 N N1 . DA A 1 14 B -2.624 0.513 12.832 1.00 0.00 ? 5 DA A N1 4 +ATOM 2131 C C2 . DA A 1 14 B -3.926 0.740 12.705 1.00 0.00 ? 5 DA A C2 4 +ATOM 2132 N N3 . DA A 1 14 B -4.913 -0.133 12.862 1.00 0.00 ? 5 DA A N3 4 +ATOM 2133 C C4 . DA A 1 14 B -4.465 -1.371 13.207 1.00 0.00 ? 5 DA A C4 4 +ATOM 2134 H "H5'" . DA A 1 14 B -8.513 -4.368 16.407 1.00 0.00 ? 5 DA A "H5'" 4 +ATOM 2135 H "H5''" . DA A 1 14 B -9.741 -4.992 15.291 1.00 0.00 ? 5 DA A "H5''" 4 +ATOM 2136 H "H4'" . DA A 1 14 B -9.235 -2.732 14.716 1.00 0.00 ? 5 DA A "H4'" 4 +ATOM 2137 H "H3'" . DA A 1 14 B -9.021 -4.838 12.809 1.00 0.00 ? 5 DA A "H3'" 4 +ATOM 2138 H "H2'" . DA A 1 14 B -6.680 -4.616 12.676 1.00 0.00 ? 5 DA A "H2'" 4 +ATOM 2139 H "H2''" . DA A 1 14 B -7.118 -3.443 11.406 1.00 0.00 ? 5 DA A "H2''" 4 +ATOM 2140 H "H1'" . DA A 1 14 B -7.135 -1.585 13.034 1.00 0.00 ? 5 DA A "H1'" 4 +ATOM 2141 H H8 . DA A 1 14 B -4.618 -4.483 14.025 1.00 0.00 ? 5 DA A H8 4 +ATOM 2142 H H61 . DA A 1 14 B -0.346 -0.041 13.121 1.00 0.00 ? 5 DA A H61 4 +ATOM 2143 H H62 . DA A 1 14 B -0.543 -1.719 13.643 1.00 0.00 ? 5 DA A H62 4 +ATOM 2144 H H2 . DA A 1 14 B -4.218 1.735 12.414 1.00 0.00 ? 5 DA A H2 4 +ATOM 2145 P P . DT A 1 15 B -9.947 -3.038 10.782 1.00 0.00 ? 6 DT A P 4 +ATOM 2146 O OP1 . DT A 1 15 B -11.339 -2.553 10.672 1.00 0.00 ? 6 DT A OP1 4 +ATOM 2147 O OP2 . DT A 1 15 B -9.602 -4.403 10.330 1.00 0.00 ? 6 DT A OP2 4 +ATOM 2148 O "O5'" . DT A 1 15 B -8.985 -1.996 10.023 1.00 0.00 ? 6 DT A "O5'" 4 +ATOM 2149 C "C5'" . DT A 1 15 B -9.225 -0.599 10.093 1.00 0.00 ? 6 DT A "C5'" 4 +ATOM 2150 C "C4'" . DT A 1 15 B -8.073 0.210 9.477 1.00 0.00 ? 6 DT A "C4'" 4 +ATOM 2151 O "O4'" . DT A 1 15 B -6.843 -0.071 10.128 1.00 0.00 ? 6 DT A "O4'" 4 +ATOM 2152 C "C3'" . DT A 1 15 B -7.825 -0.052 7.980 1.00 0.00 ? 6 DT A "C3'" 4 +ATOM 2153 O "O3'" . DT A 1 15 B -8.462 0.934 7.190 1.00 0.00 ? 6 DT A "O3'" 4 +ATOM 2154 C "C2'" . DT A 1 15 B -6.298 0.066 7.870 1.00 0.00 ? 6 DT A "C2'" 4 +ATOM 2155 C "C1'" . DT A 1 15 B -5.847 0.426 9.273 1.00 0.00 ? 6 DT A "C1'" 4 +ATOM 2156 N N1 . DT A 1 15 B -4.512 -0.147 9.543 1.00 0.00 ? 6 DT A N1 4 +ATOM 2157 C C2 . DT A 1 15 B -3.426 0.696 9.360 1.00 0.00 ? 6 DT A C2 4 +ATOM 2158 O O2 . DT A 1 15 B -3.515 1.869 9.031 1.00 0.00 ? 6 DT A O2 4 +ATOM 2159 N N3 . DT A 1 15 B -2.192 0.148 9.536 1.00 0.00 ? 6 DT A N3 4 +ATOM 2160 C C4 . DT A 1 15 B -1.919 -1.160 9.830 1.00 0.00 ? 6 DT A C4 4 +ATOM 2161 O O4 . DT A 1 15 B -0.744 -1.481 9.953 1.00 0.00 ? 6 DT A O4 4 +ATOM 2162 C C5 . DT A 1 15 B -3.097 -2.025 9.950 1.00 0.00 ? 6 DT A C5 4 +ATOM 2163 C C7 . DT A 1 15 B -2.949 -3.522 10.222 1.00 0.00 ? 6 DT A C7 4 +ATOM 2164 C C6 . DT A 1 15 B -4.342 -1.491 9.806 1.00 0.00 ? 6 DT A C6 4 +ATOM 2165 H "H5'" . DT A 1 15 B -9.329 -0.290 11.136 1.00 0.00 ? 6 DT A "H5'" 4 +ATOM 2166 H "H5''" . DT A 1 15 B -10.148 -0.356 9.562 1.00 0.00 ? 6 DT A "H5''" 4 +ATOM 2167 H "H4'" . DT A 1 15 B -8.294 1.271 9.619 1.00 0.00 ? 6 DT A "H4'" 4 +ATOM 2168 H "H3'" . DT A 1 15 B -8.153 -1.064 7.724 1.00 0.00 ? 6 DT A "H3'" 4 +ATOM 2169 H "H2'" . DT A 1 15 B -5.903 -0.896 7.543 1.00 0.00 ? 6 DT A "H2'" 4 +ATOM 2170 H "H2''" . DT A 1 15 B -5.918 0.858 7.227 1.00 0.00 ? 6 DT A "H2''" 4 +ATOM 2171 H "H1'" . DT A 1 15 B -5.864 1.515 9.355 1.00 0.00 ? 6 DT A "H1'" 4 +ATOM 2172 H H3 . DT A 1 15 B -1.417 0.785 9.427 1.00 0.00 ? 6 DT A H3 4 +ATOM 2173 H H71 . DT A 1 15 B -2.324 -3.977 9.451 1.00 0.00 ? 6 DT A H71 4 +ATOM 2174 H H72 . DT A 1 15 B -2.468 -3.671 11.189 1.00 0.00 ? 6 DT A H72 4 +ATOM 2175 H H73 . DT A 1 15 B -3.911 -4.039 10.236 1.00 0.00 ? 6 DT A H73 4 +ATOM 2176 H H6 . DT A 1 15 B -5.220 -2.121 9.877 1.00 0.00 ? 6 DT A H6 4 +ATOM 2177 P P . DC A 1 16 B -8.739 0.696 5.622 1.00 0.00 ? 7 DC A P 4 +ATOM 2178 O OP1 . DC A 1 16 B -9.995 -0.074 5.516 1.00 0.00 ? 7 DC A OP1 4 +ATOM 2179 O OP2 . DC A 1 16 B -7.514 0.156 4.998 1.00 0.00 ? 7 DC A OP2 4 +ATOM 2180 O "O5'" . DC A 1 16 B -9.025 2.165 5.007 1.00 0.00 ? 7 DC A "O5'" 4 +ATOM 2181 C "C5'" . DC A 1 16 B -8.456 3.361 5.524 1.00 0.00 ? 7 DC A "C5'" 4 +ATOM 2182 C "C4'" . DC A 1 16 B -6.952 3.578 5.275 1.00 0.00 ? 7 DC A "C4'" 4 +ATOM 2183 O "O4'" . DC A 1 16 B -6.148 2.638 5.964 1.00 0.00 ? 7 DC A "O4'" 4 +ATOM 2184 C "C3'" . DC A 1 16 B -6.502 3.487 3.811 1.00 0.00 ? 7 DC A "C3'" 4 +ATOM 2185 O "O3'" . DC A 1 16 B -6.461 4.775 3.228 1.00 0.00 ? 7 DC A "O3'" 4 +ATOM 2186 C "C2'" . DC A 1 16 B -5.095 2.897 3.960 1.00 0.00 ? 7 DC A "C2'" 4 +ATOM 2187 C "C1'" . DC A 1 16 B -4.844 2.757 5.461 1.00 0.00 ? 7 DC A "C1'" 4 +ATOM 2188 N N1 . DC A 1 16 B -3.885 1.665 5.725 1.00 0.00 ? 7 DC A N1 4 +ATOM 2189 C C2 . DC A 1 16 B -2.575 1.943 6.121 1.00 0.00 ? 7 DC A C2 4 +ATOM 2190 O O2 . DC A 1 16 B -2.147 3.090 6.179 1.00 0.00 ? 7 DC A O2 4 +ATOM 2191 N N3 . DC A 1 16 B -1.723 0.921 6.415 1.00 0.00 ? 7 DC A N3 4 +ATOM 2192 C C4 . DC A 1 16 B -2.168 -0.320 6.294 1.00 0.00 ? 7 DC A C4 4 +ATOM 2193 N N4 . DC A 1 16 B -1.338 -1.270 6.619 1.00 0.00 ? 7 DC A N4 4 +ATOM 2194 C C5 . DC A 1 16 B -3.437 -0.645 5.740 1.00 0.00 ? 7 DC A C5 4 +ATOM 2195 C C6 . DC A 1 16 B -4.252 0.390 5.452 1.00 0.00 ? 7 DC A C6 4 +ATOM 2196 H "H5'" . DC A 1 16 B -8.663 3.449 6.592 1.00 0.00 ? 7 DC A "H5'" 4 +ATOM 2197 H "H5''" . DC A 1 16 B -8.977 4.181 5.028 1.00 0.00 ? 7 DC A "H5''" 4 +ATOM 2198 H "H4'" . DC A 1 16 B -6.698 4.569 5.662 1.00 0.00 ? 7 DC A "H4'" 4 +ATOM 2199 H "H3'" . DC A 1 16 B -7.154 2.807 3.256 1.00 0.00 ? 7 DC A "H3'" 4 +ATOM 2200 H "H2'" . DC A 1 16 B -5.102 1.943 3.433 1.00 0.00 ? 7 DC A "H2'" 4 +ATOM 2201 H "H2''" . DC A 1 16 B -4.304 3.467 3.533 1.00 0.00 ? 7 DC A "H2''" 4 +ATOM 2202 H "H1'" . DC A 1 16 B -4.523 3.620 6.015 1.00 0.00 ? 7 DC A "H1'" 4 +ATOM 2203 H H41 . DC A 1 16 B -0.425 -0.943 6.897 1.00 0.00 ? 7 DC A H41 4 +ATOM 2204 H H42 . DC A 1 16 B -1.584 -2.234 6.518 1.00 0.00 ? 7 DC A H42 4 +ATOM 2205 H H5 . DC A 1 16 B -3.795 -1.640 5.561 1.00 0.00 ? 7 DC A H5 4 +ATOM 2206 H H6 . DC A 1 16 B -5.216 0.269 4.999 1.00 0.00 ? 7 DC A H6 4 +ATOM 2207 P P . DC A 1 17 B -6.011 5.000 1.700 1.00 0.00 ? 8 DC A P 4 +ATOM 2208 O OP1 . DC A 1 17 B -6.641 6.247 1.217 1.00 0.00 ? 8 DC A OP1 4 +ATOM 2209 O OP2 . DC A 1 17 B -6.205 3.737 0.957 1.00 0.00 ? 8 DC A OP2 4 +ATOM 2210 O "O5'" . DC A 1 17 B -4.426 5.258 1.819 1.00 0.00 ? 8 DC A "O5'" 4 +ATOM 2211 C "C5'" . DC A 1 17 B -3.907 6.395 2.490 1.00 0.00 ? 8 DC A "C5'" 4 +ATOM 2212 C "C4'" . DC A 1 17 B -2.370 6.439 2.407 1.00 0.00 ? 8 DC A "C4'" 4 +ATOM 2213 O "O4'" . DC A 1 17 B -1.791 5.356 3.136 1.00 0.00 ? 8 DC A "O4'" 4 +ATOM 2214 C "C3'" . DC A 1 17 B -1.865 6.356 0.952 1.00 0.00 ? 8 DC A "C3'" 4 +ATOM 2215 O "O3'" . DC A 1 17 B -0.752 7.213 0.788 1.00 0.00 ? 8 DC A "O3'" 4 +ATOM 2216 C "C2'" . DC A 1 17 B -1.419 4.900 0.911 1.00 0.00 ? 8 DC A "C2'" 4 +ATOM 2217 C "C1'" . DC A 1 17 B -0.827 4.742 2.308 1.00 0.00 ? 8 DC A "C1'" 4 +ATOM 2218 N N1 . DC A 1 17 B -0.702 3.299 2.670 1.00 0.00 ? 8 DC A N1 4 +ATOM 2219 C C2 . DC A 1 17 B 0.554 2.823 3.041 1.00 0.00 ? 8 DC A C2 4 +ATOM 2220 O O2 . DC A 1 17 B 1.535 3.553 3.034 1.00 0.00 ? 8 DC A O2 4 +ATOM 2221 N N3 . DC A 1 17 B 0.727 1.526 3.413 1.00 0.00 ? 8 DC A N3 4 +ATOM 2222 C C4 . DC A 1 17 B -0.329 0.734 3.441 1.00 0.00 ? 8 DC A C4 4 +ATOM 2223 N N4 . DC A 1 17 B -0.120 -0.506 3.781 1.00 0.00 ? 8 DC A N4 4 +ATOM 2224 C C5 . DC A 1 17 B -1.631 1.149 3.053 1.00 0.00 ? 8 DC A C5 4 +ATOM 2225 C C6 . DC A 1 17 B -1.780 2.435 2.662 1.00 0.00 ? 8 DC A C6 4 +ATOM 2226 H "H5'" . DC A 1 17 B -4.204 6.380 3.541 1.00 0.00 ? 8 DC A "H5'" 4 +ATOM 2227 H "H5''" . DC A 1 17 B -4.298 7.305 2.030 1.00 0.00 ? 8 DC A "H5''" 4 +ATOM 2228 H "H4'" . DC A 1 17 B -2.041 7.378 2.858 1.00 0.00 ? 8 DC A "H4'" 4 +ATOM 2229 H "H3'" . DC A 1 17 B -2.669 6.565 0.241 1.00 0.00 ? 8 DC A "H3'" 4 +ATOM 2230 H "H2'" . DC A 1 17 B -2.315 4.312 0.738 1.00 0.00 ? 8 DC A "H2'" 4 +ATOM 2231 H "H2''" . DC A 1 17 B -0.700 4.623 0.158 1.00 0.00 ? 8 DC A "H2''" 4 +ATOM 2232 H "H1'" . DC A 1 17 B 0.113 5.339 2.374 1.00 0.00 ? 8 DC A "H1'" 4 +ATOM 2233 H H41 . DC A 1 17 B 0.823 -0.746 4.041 1.00 0.00 ? 8 DC A H41 4 +ATOM 2234 H H42 . DC A 1 17 B -0.877 -1.160 3.793 1.00 0.00 ? 8 DC A H42 4 +ATOM 2235 H H5 . DC A 1 17 B -2.472 0.475 3.038 1.00 0.00 ? 8 DC A H5 4 +ATOM 2236 H H6 . DC A 1 17 B -2.768 2.723 2.319 1.00 0.00 ? 8 DC A H6 4 +ATOM 2237 P P . DT A 1 18 B -0.371 7.854 -0.634 1.00 0.00 ? 9 DT A P 4 +ATOM 2238 O OP1 . DT A 1 18 B 0.711 8.836 -0.414 1.00 0.00 ? 9 DT A OP1 4 +ATOM 2239 O OP2 . DT A 1 18 B -1.622 8.282 -1.296 1.00 0.00 ? 9 DT A OP2 4 +ATOM 2240 O "O5'" . DT A 1 18 B 0.247 6.629 -1.473 1.00 0.00 ? 9 DT A "O5'" 4 +ATOM 2241 C "C5'" . DT A 1 18 B -0.475 5.987 -2.511 1.00 0.00 ? 9 DT A "C5'" 4 +ATOM 2242 C "C4'" . DT A 1 18 B 0.458 5.005 -3.240 1.00 0.00 ? 9 DT A "C4'" 4 +ATOM 2243 O "O4'" . DT A 1 18 B 0.711 3.859 -2.428 1.00 0.00 ? 9 DT A "O4'" 4 +ATOM 2244 C "C3'" . DT A 1 18 B -0.150 4.479 -4.548 1.00 0.00 ? 9 DT A "C3'" 4 +ATOM 2245 O "O3'" . DT A 1 18 B 0.832 4.187 -5.521 1.00 0.00 ? 9 DT A "O3'" 4 +ATOM 2246 C "C2'" . DT A 1 18 B -0.829 3.196 -4.121 1.00 0.00 ? 9 DT A "C2'" 4 +ATOM 2247 C "C1'" . DT A 1 18 B 0.110 2.720 -3.017 1.00 0.00 ? 9 DT A "C1'" 4 +ATOM 2248 N N1 . DT A 1 18 B -0.471 1.871 -1.945 1.00 0.00 ? 9 DT A N1 4 +ATOM 2249 C C2 . DT A 1 18 B 0.407 0.969 -1.344 1.00 0.00 ? 9 DT A C2 4 +ATOM 2250 O O2 . DT A 1 18 B 1.589 0.852 -1.634 1.00 0.00 ? 9 DT A O2 4 +ATOM 2251 N N3 . DT A 1 18 B -0.118 0.134 -0.398 1.00 0.00 ? 9 DT A N3 4 +ATOM 2252 C C4 . DT A 1 18 B -1.422 0.109 0.016 1.00 0.00 ? 9 DT A C4 4 +ATOM 2253 O O4 . DT A 1 18 B -1.762 -0.804 0.760 1.00 0.00 ? 9 DT A O4 4 +ATOM 2254 C C5 . DT A 1 18 B -2.250 1.207 -0.491 1.00 0.00 ? 9 DT A C5 4 +ATOM 2255 C C7 . DT A 1 18 B -3.697 1.396 -0.030 1.00 0.00 ? 9 DT A C7 4 +ATOM 2256 C C6 . DT A 1 18 B -1.746 2.051 -1.435 1.00 0.00 ? 9 DT A C6 4 +ATOM 2257 H "H5'" . DT A 1 18 B -0.806 6.738 -3.232 1.00 0.00 ? 9 DT A "H5'" 4 +ATOM 2258 H "H5''" . DT A 1 18 B -1.349 5.465 -2.117 1.00 0.00 ? 9 DT A "H5''" 4 +ATOM 2259 H "H4'" . DT A 1 18 B 1.386 5.544 -3.456 1.00 0.00 ? 9 DT A "H4'" 4 +ATOM 2260 H "H3'" . DT A 1 18 B -0.910 5.158 -4.937 1.00 0.00 ? 9 DT A "H3'" 4 +ATOM 2261 H "H2'" . DT A 1 18 B -1.818 3.461 -3.821 1.00 0.00 ? 9 DT A "H2'" 4 +ATOM 2262 H "H2''" . DT A 1 18 B -0.902 2.472 -4.931 1.00 0.00 ? 9 DT A "H2''" 4 +ATOM 2263 H "H1'" . DT A 1 18 B 0.856 2.151 -3.565 1.00 0.00 ? 9 DT A "H1'" 4 +ATOM 2264 H H3 . DT A 1 18 B 0.533 -0.509 0.032 1.00 0.00 ? 9 DT A H3 4 +ATOM 2265 H H71 . DT A 1 18 B -3.926 2.448 0.163 1.00 0.00 ? 9 DT A H71 4 +ATOM 2266 H H72 . DT A 1 18 B -4.382 1.041 -0.802 1.00 0.00 ? 9 DT A H72 4 +ATOM 2267 H H73 . DT A 1 18 B -3.902 0.837 0.885 1.00 0.00 ? 9 DT A H73 4 +ATOM 2268 H H6 . DT A 1 18 B -2.354 2.894 -1.735 1.00 0.00 ? 9 DT A H6 4 +ATOM 2269 O "O5'" . DA A 1 1 ? 8.033 -8.167 0.340 1.00 0.00 ? 1 DA A "O5'" 5 +ATOM 2270 C "C5'" . DA A 1 1 ? 6.816 -7.503 0.053 1.00 0.00 ? 1 DA A "C5'" 5 +ATOM 2271 C "C4'" . DA A 1 1 ? 6.582 -6.333 1.016 1.00 0.00 ? 1 DA A "C4'" 5 +ATOM 2272 O "O4'" . DA A 1 1 ? 5.341 -5.681 0.760 1.00 0.00 ? 1 DA A "O4'" 5 +ATOM 2273 C "C3'" . DA A 1 1 ? 6.553 -6.761 2.500 1.00 0.00 ? 1 DA A "C3'" 5 +ATOM 2274 O "O3'" . DA A 1 1 ? 7.384 -5.961 3.308 1.00 0.00 ? 1 DA A "O3'" 5 +ATOM 2275 C "C2'" . DA A 1 1 ? 5.109 -6.475 2.873 1.00 0.00 ? 1 DA A "C2'" 5 +ATOM 2276 C "C1'" . DA A 1 1 ? 4.860 -5.242 2.014 1.00 0.00 ? 1 DA A "C1'" 5 +ATOM 2277 N N9 . DA A 1 1 ? 3.439 -4.865 1.932 1.00 0.00 ? 1 DA A N9 5 +ATOM 2278 C C8 . DA A 1 1 ? 2.319 -5.602 2.225 1.00 0.00 ? 1 DA A C8 5 +ATOM 2279 N N7 . DA A 1 1 ? 1.192 -4.988 1.984 1.00 0.00 ? 1 DA A N7 5 +ATOM 2280 C C5 . DA A 1 1 ? 1.610 -3.738 1.512 1.00 0.00 ? 1 DA A C5 5 +ATOM 2281 C C6 . DA A 1 1 ? 0.962 -2.558 1.079 1.00 0.00 ? 1 DA A C6 5 +ATOM 2282 N N6 . DA A 1 1 ? -0.346 -2.400 1.025 1.00 0.00 ? 1 DA A N6 5 +ATOM 2283 N N1 . DA A 1 1 ? 1.660 -1.497 0.658 1.00 0.00 ? 1 DA A N1 5 +ATOM 2284 C C2 . DA A 1 1 ? 2.986 -1.575 0.669 1.00 0.00 ? 1 DA A C2 5 +ATOM 2285 N N3 . DA A 1 1 ? 3.728 -2.606 1.056 1.00 0.00 ? 1 DA A N3 5 +ATOM 2286 C C4 . DA A 1 1 ? 2.976 -3.662 1.472 1.00 0.00 ? 1 DA A C4 5 +ATOM 2287 H "H5'" . DA A 1 1 ? 5.996 -8.219 0.130 1.00 0.00 ? 1 DA A "H5'" 5 +ATOM 2288 H "H5''" . DA A 1 1 ? 6.856 -7.123 -0.969 1.00 0.00 ? 1 DA A "H5''" 5 +ATOM 2289 H "H4'" . DA A 1 1 ? 7.371 -5.595 0.855 1.00 0.00 ? 1 DA A "H4'" 5 +ATOM 2290 H "H3'" . DA A 1 1 ? 6.742 -7.826 2.654 1.00 0.00 ? 1 DA A "H3'" 5 +ATOM 2291 H "H2'" . DA A 1 1 ? 4.493 -7.318 2.558 1.00 0.00 ? 1 DA A "H2'" 5 +ATOM 2292 H "H2''" . DA A 1 1 ? 4.978 -6.281 3.939 1.00 0.00 ? 1 DA A "H2''" 5 +ATOM 2293 H "H1'" . DA A 1 1 ? 5.456 -4.395 2.358 1.00 0.00 ? 1 DA A "H1'" 5 +ATOM 2294 H H8 . DA A 1 1 ? 2.361 -6.612 2.609 1.00 0.00 ? 1 DA A H8 5 +ATOM 2295 H H61 . DA A 1 1 ? -0.686 -1.488 0.748 1.00 0.00 ? 1 DA A H61 5 +ATOM 2296 H H62 . DA A 1 1 ? -0.944 -3.138 1.351 1.00 0.00 ? 1 DA A H62 5 +ATOM 2297 H H2 . DA A 1 1 ? 3.525 -0.704 0.333 1.00 0.00 ? 1 DA A H2 5 +ATOM 2298 H "HO5'" . DA A 1 1 ? 8.613 -7.574 0.853 1.00 0.00 ? 1 DA A "HO5'" 5 +ATOM 2299 P P . DG A 1 2 ? 8.962 -6.216 3.351 1.00 0.00 ? 2 DG A P 5 +ATOM 2300 O OP1 . DG A 1 2 ? 9.385 -6.625 1.990 1.00 0.00 ? 2 DG A OP1 5 +ATOM 2301 O OP2 . DG A 1 2 ? 9.248 -7.090 4.505 1.00 0.00 ? 2 DG A OP2 5 +ATOM 2302 O "O5'" . DG A 1 2 ? 9.508 -4.735 3.655 1.00 0.00 ? 2 DG A "O5'" 5 +ATOM 2303 C "C5'" . DG A 1 2 ? 9.826 -3.820 2.619 1.00 0.00 ? 2 DG A "C5'" 5 +ATOM 2304 C "C4'" . DG A 1 2 ? 9.547 -2.361 3.029 1.00 0.00 ? 2 DG A "C4'" 5 +ATOM 2305 O "O4'" . DG A 1 2 ? 8.150 -2.089 2.944 1.00 0.00 ? 2 DG A "O4'" 5 +ATOM 2306 C "C3'" . DG A 1 2 ? 9.988 -2.000 4.463 1.00 0.00 ? 2 DG A "C3'" 5 +ATOM 2307 O "O3'" . DG A 1 2 ? 10.415 -0.645 4.441 1.00 0.00 ? 2 DG A "O3'" 5 +ATOM 2308 C "C2'" . DG A 1 2 ? 8.685 -2.191 5.226 1.00 0.00 ? 2 DG A "C2'" 5 +ATOM 2309 C "C1'" . DG A 1 2 ? 7.722 -1.610 4.204 1.00 0.00 ? 2 DG A "C1'" 5 +ATOM 2310 N N9 . DG A 1 2 ? 6.314 -1.968 4.425 1.00 0.00 ? 2 DG A N9 5 +ATOM 2311 C C8 . DG A 1 2 ? 5.771 -3.180 4.761 1.00 0.00 ? 2 DG A C8 5 +ATOM 2312 N N7 . DG A 1 2 ? 4.466 -3.227 4.663 1.00 0.00 ? 2 DG A N7 5 +ATOM 2313 C C5 . DG A 1 2 ? 4.122 -1.937 4.231 1.00 0.00 ? 2 DG A C5 5 +ATOM 2314 C C6 . DG A 1 2 ? 2.866 -1.294 3.944 1.00 0.00 ? 2 DG A C6 5 +ATOM 2315 O O6 . DG A 1 2 ? 1.734 -1.760 3.984 1.00 0.00 ? 2 DG A O6 5 +ATOM 2316 N N1 . DG A 1 2 ? 2.974 0.028 3.541 1.00 0.00 ? 2 DG A N1 5 +ATOM 2317 C C2 . DG A 1 2 ? 4.166 0.651 3.388 1.00 0.00 ? 2 DG A C2 5 +ATOM 2318 N N2 . DG A 1 2 ? 4.157 1.927 3.146 1.00 0.00 ? 2 DG A N2 5 +ATOM 2319 N N3 . DG A 1 2 ? 5.342 0.095 3.621 1.00 0.00 ? 2 DG A N3 5 +ATOM 2320 C C4 . DG A 1 2 ? 5.259 -1.195 4.036 1.00 0.00 ? 2 DG A C4 5 +ATOM 2321 H "H5'" . DG A 1 2 ? 9.260 -4.018 1.705 1.00 0.00 ? 2 DG A "H5'" 5 +ATOM 2322 H "H5''" . DG A 1 2 ? 10.887 -3.932 2.391 1.00 0.00 ? 2 DG A "H5''" 5 +ATOM 2323 H "H4'" . DG A 1 2 ? 10.059 -1.723 2.307 1.00 0.00 ? 2 DG A "H4'" 5 +ATOM 2324 H "H3'" . DG A 1 2 ? 10.759 -2.669 4.844 1.00 0.00 ? 2 DG A "H3'" 5 +ATOM 2325 H "H2'" . DG A 1 2 ? 8.517 -3.254 5.385 1.00 0.00 ? 2 DG A "H2'" 5 +ATOM 2326 H "H2''" . DG A 1 2 ? 8.663 -1.678 6.185 1.00 0.00 ? 2 DG A "H2''" 5 +ATOM 2327 H "H1'" . DG A 1 2 ? 7.828 -0.524 4.212 1.00 0.00 ? 2 DG A "H1'" 5 +ATOM 2328 H H8 . DG A 1 2 ? 6.385 -4.022 5.052 1.00 0.00 ? 2 DG A H8 5 +ATOM 2329 H H1 . DG A 1 2 ? 2.124 0.545 3.348 1.00 0.00 ? 2 DG A H1 5 +ATOM 2330 H H21 . DG A 1 2 ? 3.294 2.437 3.064 1.00 0.00 ? 2 DG A H21 5 +ATOM 2331 H H22 . DG A 1 2 ? 5.059 2.362 3.216 1.00 0.00 ? 2 DG A H22 5 +ATOM 2332 P P . DG A 1 3 ? 10.724 0.212 5.766 1.00 0.00 ? 3 DG A P 5 +ATOM 2333 O OP1 . DG A 1 3 ? 11.819 1.150 5.440 1.00 0.00 ? 3 DG A OP1 5 +ATOM 2334 O OP2 . DG A 1 3 ? 10.873 -0.722 6.902 1.00 0.00 ? 3 DG A OP2 5 +ATOM 2335 O "O5'" . DG A 1 3 ? 9.362 1.072 5.965 1.00 0.00 ? 3 DG A "O5'" 5 +ATOM 2336 C "C5'" . DG A 1 3 ? 9.030 2.130 5.072 1.00 0.00 ? 3 DG A "C5'" 5 +ATOM 2337 C "C4'" . DG A 1 3 ? 7.809 2.969 5.503 1.00 0.00 ? 3 DG A "C4'" 5 +ATOM 2338 O "O4'" . DG A 1 3 ? 6.563 2.285 5.372 1.00 0.00 ? 3 DG A "O4'" 5 +ATOM 2339 C "C3'" . DG A 1 3 ? 7.886 3.512 6.942 1.00 0.00 ? 3 DG A "C3'" 5 +ATOM 2340 O "O3'" . DG A 1 3 ? 7.705 4.917 6.968 1.00 0.00 ? 3 DG A "O3'" 5 +ATOM 2341 C "C2'" . DG A 1 3 ? 6.702 2.795 7.578 1.00 0.00 ? 3 DG A "C2'" 5 +ATOM 2342 C "C1'" . DG A 1 3 ? 5.710 2.710 6.424 1.00 0.00 ? 3 DG A "C1'" 5 +ATOM 2343 N N9 . DG A 1 3 ? 4.656 1.691 6.648 1.00 0.00 ? 3 DG A N9 5 +ATOM 2344 C C8 . DG A 1 3 ? 4.832 0.377 6.994 1.00 0.00 ? 3 DG A C8 5 +ATOM 2345 N N7 . DG A 1 3 ? 3.738 -0.327 7.040 1.00 0.00 ? 3 DG A N7 5 +ATOM 2346 C C5 . DG A 1 3 ? 2.744 0.597 6.712 1.00 0.00 ? 3 DG A C5 5 +ATOM 2347 C C6 . DG A 1 3 ? 1.323 0.451 6.571 1.00 0.00 ? 3 DG A C6 5 +ATOM 2348 O O6 . DG A 1 3 ? 0.639 -0.555 6.697 1.00 0.00 ? 3 DG A O6 5 +ATOM 2349 N N1 . DG A 1 3 ? 0.658 1.619 6.267 1.00 0.00 ? 3 DG A N1 5 +ATOM 2350 C C2 . DG A 1 3 ? 1.290 2.802 6.084 1.00 0.00 ? 3 DG A C2 5 +ATOM 2351 N N2 . DG A 1 3 ? 0.517 3.824 5.835 1.00 0.00 ? 3 DG A N2 5 +ATOM 2352 N N3 . DG A 1 3 ? 2.608 2.983 6.188 1.00 0.00 ? 3 DG A N3 5 +ATOM 2353 C C4 . DG A 1 3 ? 3.292 1.843 6.503 1.00 0.00 ? 3 DG A C4 5 +ATOM 2354 H "H5'" . DG A 1 3 ? 8.845 1.728 4.074 1.00 0.00 ? 3 DG A "H5'" 5 +ATOM 2355 H "H5''" . DG A 1 3 ? 9.874 2.820 5.008 1.00 0.00 ? 3 DG A "H5''" 5 +ATOM 2356 H "H4'" . DG A 1 3 ? 7.763 3.819 4.819 1.00 0.00 ? 3 DG A "H4'" 5 +ATOM 2357 H "H3'" . DG A 1 3 ? 8.829 3.230 7.419 1.00 0.00 ? 3 DG A "H3'" 5 +ATOM 2358 H "H2'" . DG A 1 3 ? 7.001 1.813 7.922 1.00 0.00 ? 3 DG A "H2'" 5 +ATOM 2359 H "H2''" . DG A 1 3 ? 6.318 3.350 8.417 1.00 0.00 ? 3 DG A "H2''" 5 +ATOM 2360 H "H1'" . DG A 1 3 ? 5.294 3.694 6.216 1.00 0.00 ? 3 DG A "H1'" 5 +ATOM 2361 H H8 . DG A 1 3 ? 5.798 -0.054 7.200 1.00 0.00 ? 3 DG A H8 5 +ATOM 2362 H H1 . DG A 1 3 ? -0.352 1.551 6.206 1.00 0.00 ? 3 DG A H1 5 +ATOM 2363 H H21 . DG A 1 3 ? -0.489 3.723 5.841 1.00 0.00 ? 3 DG A H21 5 +ATOM 2364 H H22 . DG A 1 3 ? 0.975 4.713 5.747 1.00 0.00 ? 3 DG A H22 5 +ATOM 2365 P P . DA A 1 4 ? 7.900 5.776 8.321 1.00 0.00 ? 4 DA A P 5 +ATOM 2366 O OP1 . DA A 1 4 ? 8.748 6.943 8.000 1.00 0.00 ? 4 DA A OP1 5 +ATOM 2367 O OP2 . DA A 1 4 ? 8.288 4.859 9.413 1.00 0.00 ? 4 DA A OP2 5 +ATOM 2368 O "O5'" . DA A 1 4 ? 6.412 6.309 8.629 1.00 0.00 ? 4 DA A "O5'" 5 +ATOM 2369 C "C5'" . DA A 1 4 ? 5.818 7.308 7.817 1.00 0.00 ? 4 DA A "C5'" 5 +ATOM 2370 C "C4'" . DA A 1 4 ? 4.348 7.567 8.188 1.00 0.00 ? 4 DA A "C4'" 5 +ATOM 2371 O "O4'" . DA A 1 4 ? 3.604 6.359 8.086 1.00 0.00 ? 4 DA A "O4'" 5 +ATOM 2372 C "C3'" . DA A 1 4 ? 4.124 8.137 9.601 1.00 0.00 ? 4 DA A "C3'" 5 +ATOM 2373 O "O3'" . DA A 1 4 ? 3.140 9.153 9.548 1.00 0.00 ? 4 DA A "O3'" 5 +ATOM 2374 C "C2'" . DA A 1 4 ? 3.649 6.895 10.350 1.00 0.00 ? 4 DA A "C2'" 5 +ATOM 2375 C "C1'" . DA A 1 4 ? 2.850 6.172 9.266 1.00 0.00 ? 4 DA A "C1'" 5 +ATOM 2376 N N9 . DA A 1 4 ? 2.775 4.716 9.504 1.00 0.00 ? 4 DA A N9 5 +ATOM 2377 C C8 . DA A 1 4 ? 3.782 3.827 9.802 1.00 0.00 ? 4 DA A C8 5 +ATOM 2378 N N7 . DA A 1 4 ? 3.399 2.582 9.876 1.00 0.00 ? 4 DA A N7 5 +ATOM 2379 C C5 . DA A 1 4 ? 2.027 2.662 9.626 1.00 0.00 ? 4 DA A C5 5 +ATOM 2380 C C6 . DA A 1 4 ? 0.976 1.726 9.536 1.00 0.00 ? 4 DA A C6 5 +ATOM 2381 N N6 . DA A 1 4 ? 1.132 0.425 9.672 1.00 0.00 ? 4 DA A N6 5 +ATOM 2382 N N1 . DA A 1 4 ? -0.275 2.118 9.274 1.00 0.00 ? 4 DA A N1 5 +ATOM 2383 C C2 . DA A 1 4 ? -0.510 3.415 9.117 1.00 0.00 ? 4 DA A C2 5 +ATOM 2384 N N3 . DA A 1 4 ? 0.374 4.404 9.188 1.00 0.00 ? 4 DA A N3 5 +ATOM 2385 C C4 . DA A 1 4 ? 1.635 3.960 9.439 1.00 0.00 ? 4 DA A C4 5 +ATOM 2386 H "H5'" . DA A 1 4 ? 5.846 6.995 6.771 1.00 0.00 ? 4 DA A "H5'" 5 +ATOM 2387 H "H5''" . DA A 1 4 ? 6.373 8.244 7.911 1.00 0.00 ? 4 DA A "H5''" 5 +ATOM 2388 H "H4'" . DA A 1 4 ? 3.955 8.272 7.453 1.00 0.00 ? 4 DA A "H4'" 5 +ATOM 2389 H "H3'" . DA A 1 4 ? 5.053 8.531 10.021 1.00 0.00 ? 4 DA A "H3'" 5 +ATOM 2390 H "H2'" . DA A 1 4 ? 4.534 6.342 10.660 1.00 0.00 ? 4 DA A "H2'" 5 +ATOM 2391 H "H2''" . DA A 1 4 ? 3.038 7.118 11.224 1.00 0.00 ? 4 DA A "H2''" 5 +ATOM 2392 H "H1'" . DA A 1 4 ? 1.866 6.636 9.155 1.00 0.00 ? 4 DA A "H1'" 5 +ATOM 2393 H H8 . DA A 1 4 ? 4.808 4.105 9.981 1.00 0.00 ? 4 DA A H8 5 +ATOM 2394 H H61 . DA A 1 4 ? 0.316 -0.163 9.580 1.00 0.00 ? 4 DA A H61 5 +ATOM 2395 H H62 . DA A 1 4 ? 2.051 0.056 9.847 1.00 0.00 ? 4 DA A H62 5 +ATOM 2396 H H2 . DA A 1 4 ? -1.528 3.704 8.914 1.00 0.00 ? 4 DA A H2 5 +ATOM 2397 P P . DT A 1 5 ? 2.654 9.945 10.859 1.00 0.00 ? 5 DT A P 5 +ATOM 2398 O OP1 . DT A 1 5 ? 2.440 11.363 10.502 1.00 0.00 ? 5 DT A OP1 5 +ATOM 2399 O OP2 . DT A 1 5 ? 3.549 9.593 11.984 1.00 0.00 ? 5 DT A OP2 5 +ATOM 2400 O "O5'" . DT A 1 5 ? 1.225 9.262 11.113 1.00 0.00 ? 5 DT A "O5'" 5 +ATOM 2401 C "C5'" . DT A 1 5 ? 0.614 9.247 12.390 1.00 0.00 ? 5 DT A "C5'" 5 +ATOM 2402 C "C4'" . DT A 1 5 ? -0.722 8.486 12.315 1.00 0.00 ? 5 DT A "C4'" 5 +ATOM 2403 O "O4'" . DT A 1 5 ? -0.482 7.152 11.863 1.00 0.00 ? 5 DT A "O4'" 5 +ATOM 2404 C "C3'" . DT A 1 5 ? -1.405 8.378 13.697 1.00 0.00 ? 5 DT A "C3'" 5 +ATOM 2405 O "O3'" . DT A 1 5 ? -2.812 8.454 13.570 1.00 0.00 ? 5 DT A "O3'" 5 +ATOM 2406 C "C2'" . DT A 1 5 ? -1.028 6.954 14.086 1.00 0.00 ? 5 DT A "C2'" 5 +ATOM 2407 C "C1'" . DT A 1 5 ? -1.133 6.262 12.735 1.00 0.00 ? 5 DT A "C1'" 5 +ATOM 2408 N N1 . DT A 1 5 ? -0.430 4.948 12.736 1.00 0.00 ? 5 DT A N1 5 +ATOM 2409 C C2 . DT A 1 5 ? -1.220 3.829 12.492 1.00 0.00 ? 5 DT A C2 5 +ATOM 2410 O O2 . DT A 1 5 ? -2.428 3.859 12.325 1.00 0.00 ? 5 DT A O2 5 +ATOM 2411 N N3 . DT A 1 5 ? -0.591 2.619 12.481 1.00 0.00 ? 5 DT A N3 5 +ATOM 2412 C C4 . DT A 1 5 ? 0.738 2.394 12.705 1.00 0.00 ? 5 DT A C4 5 +ATOM 2413 O O4 . DT A 1 5 ? 1.125 1.232 12.707 1.00 0.00 ? 5 DT A O4 5 +ATOM 2414 C C5 . DT A 1 5 ? 1.539 3.596 12.945 1.00 0.00 ? 5 DT A C5 5 +ATOM 2415 C C7 . DT A 1 5 ? 3.046 3.510 13.187 1.00 0.00 ? 5 DT A C7 5 +ATOM 2416 C C6 . DT A 1 5 ? 0.935 4.816 12.971 1.00 0.00 ? 5 DT A C6 5 +ATOM 2417 H "H5'" . DT A 1 5 ? 0.425 10.269 12.723 1.00 0.00 ? 5 DT A "H5'" 5 +ATOM 2418 H "H5''" . DT A 1 5 ? 1.267 8.751 13.112 1.00 0.00 ? 5 DT A "H5''" 5 +ATOM 2419 H "H4'" . DT A 1 5 ? -1.378 9.002 11.611 1.00 0.00 ? 5 DT A "H4'" 5 +ATOM 2420 H "H3'" . DT A 1 5 ? -0.982 9.080 14.420 1.00 0.00 ? 5 DT A "H3'" 5 +ATOM 2421 H "H2'" . DT A 1 5 ? 0.014 6.997 14.403 1.00 0.00 ? 5 DT A "H2'" 5 +ATOM 2422 H "H2''" . DT A 1 5 ? -1.651 6.467 14.857 1.00 0.00 ? 5 DT A "H2''" 5 +ATOM 2423 H "H1'" . DT A 1 5 ? -2.192 6.216 12.437 1.00 0.00 ? 5 DT A "H1'" 5 +ATOM 2424 H H3 . DT A 1 5 ? -1.199 1.819 12.367 1.00 0.00 ? 5 DT A H3 5 +ATOM 2425 H H71 . DT A 1 5 ? 3.253 3.482 14.258 1.00 0.00 ? 5 DT A H71 5 +ATOM 2426 H H72 . DT A 1 5 ? 3.455 2.608 12.727 1.00 0.00 ? 5 DT A H72 5 +ATOM 2427 H H73 . DT A 1 5 ? 3.566 4.365 12.748 1.00 0.00 ? 5 DT A H73 5 +ATOM 2428 H H6 . DT A 1 5 ? 1.559 5.657 13.255 1.00 0.00 ? 5 DT A H6 5 +ATOM 2429 P P . DC A 1 6 ? -3.663 9.669 14.194 1.00 0.00 ? 6 DC A P 5 +ATOM 2430 O OP1 . DC A 1 6 ? -4.832 9.915 13.324 1.00 0.00 ? 6 DC A OP1 5 +ATOM 2431 O OP2 . DC A 1 6 ? -2.740 10.778 14.520 1.00 0.00 ? 6 DC A OP2 5 +ATOM 2432 O "O5'" . DC A 1 6 ? -4.193 9.038 15.576 1.00 0.00 ? 6 DC A "O5'" 5 +ATOM 2433 C "C5'" . DC A 1 6 ? -3.320 8.746 16.655 1.00 0.00 ? 6 DC A "C5'" 5 +ATOM 2434 C "C4'" . DC A 1 6 ? -3.639 7.353 17.221 1.00 0.00 ? 6 DC A "C4'" 5 +ATOM 2435 O "O4'" . DC A 1 6 ? -3.391 6.360 16.216 1.00 0.00 ? 6 DC A "O4'" 5 +ATOM 2436 C "C3'" . DC A 1 6 ? -2.746 7.020 18.443 1.00 0.00 ? 6 DC A "C3'" 5 +ATOM 2437 O "O3'" . DC A 1 6 ? -3.468 6.384 19.474 1.00 0.00 ? 6 DC A "O3'" 5 +ATOM 2438 C "C2'" . DC A 1 6 ? -1.761 6.053 17.811 1.00 0.00 ? 6 DC A "C2'" 5 +ATOM 2439 C "C1'" . DC A 1 6 ? -2.683 5.317 16.833 1.00 0.00 ? 6 DC A "C1'" 5 +ATOM 2440 N N1 . DC A 1 6 ? -1.963 4.295 16.032 1.00 0.00 ? 6 DC A N1 5 +ATOM 2441 C C2 . DC A 1 6 ? -2.386 2.957 16.091 1.00 0.00 ? 6 DC A C2 5 +ATOM 2442 O O2 . DC A 1 6 ? -3.569 2.671 16.228 1.00 0.00 ? 6 DC A O2 5 +ATOM 2443 N N3 . DC A 1 6 ? -1.484 1.933 16.012 1.00 0.00 ? 6 DC A N3 5 +ATOM 2444 C C4 . DC A 1 6 ? -0.196 2.236 15.934 1.00 0.00 ? 6 DC A C4 5 +ATOM 2445 N N4 . DC A 1 6 ? 0.651 1.250 15.855 1.00 0.00 ? 6 DC A N4 5 +ATOM 2446 C C5 . DC A 1 6 ? 0.263 3.578 15.851 1.00 0.00 ? 6 DC A C5 5 +ATOM 2447 C C6 . DC A 1 6 ? -0.640 4.535 15.865 1.00 0.00 ? 6 DC A C6 5 +ATOM 2448 H "H5'" . DC A 1 6 ? -3.475 9.500 17.428 1.00 0.00 ? 6 DC A "H5'" 5 +ATOM 2449 H "H5''" . DC A 1 6 ? -2.267 8.766 16.367 1.00 0.00 ? 6 DC A "H5''" 5 +ATOM 2450 H "H4'" . DC A 1 6 ? -4.690 7.324 17.514 1.00 0.00 ? 6 DC A "H4'" 5 +ATOM 2451 H "H3'" . DC A 1 6 ? -2.217 7.908 18.794 1.00 0.00 ? 6 DC A "H3'" 5 +ATOM 2452 H "H2'" . DC A 1 6 ? -1.043 6.713 17.340 1.00 0.00 ? 6 DC A "H2'" 5 +ATOM 2453 H "H2''" . DC A 1 6 ? -1.179 5.355 18.420 1.00 0.00 ? 6 DC A "H2''" 5 +ATOM 2454 H "H1'" . DC A 1 6 ? -3.454 4.838 17.343 1.00 0.00 ? 6 DC A "H1'" 5 +ATOM 2455 H H41 . DC A 1 6 ? 0.253 0.326 15.916 1.00 0.00 ? 6 DC A H41 5 +ATOM 2456 H H42 . DC A 1 6 ? 1.629 1.425 15.735 1.00 0.00 ? 6 DC A H42 5 +ATOM 2457 H H5 . DC A 1 6 ? 1.199 4.069 15.942 1.00 0.00 ? 6 DC A H5 5 +ATOM 2458 H H6 . DC A 1 6 ? -0.199 5.510 15.861 1.00 0.00 ? 6 DC A H6 5 +ATOM 2459 P P . DC A 1 7 ? -2.896 6.365 20.973 1.00 0.00 ? 7 DC A P 5 +ATOM 2460 O OP1 . DC A 1 7 ? -3.342 7.600 21.649 1.00 0.00 ? 7 DC A OP1 5 +ATOM 2461 O OP2 . DC A 1 7 ? -1.458 6.033 20.901 1.00 0.00 ? 7 DC A OP2 5 +ATOM 2462 O "O5'" . DC A 1 7 ? -3.660 5.105 21.613 1.00 0.00 ? 7 DC A "O5'" 5 +ATOM 2463 C "C5'" . DC A 1 7 ? -5.040 5.136 21.933 1.00 0.00 ? 7 DC A "C5'" 5 +ATOM 2464 C "C4'" . DC A 1 7 ? -5.647 3.736 22.187 1.00 0.00 ? 7 DC A "C4'" 5 +ATOM 2465 O "O4'" . DC A 1 7 ? -5.740 2.979 20.957 1.00 0.00 ? 7 DC A "O4'" 5 +ATOM 2466 C "C3'" . DC A 1 7 ? -4.816 2.859 23.148 1.00 0.00 ? 7 DC A "C3'" 5 +ATOM 2467 O "O3'" . DC A 1 7 ? -5.627 1.883 23.769 1.00 0.00 ? 7 DC A "O3'" 5 +ATOM 2468 C "C2'" . DC A 1 7 ? -3.913 2.145 22.152 1.00 0.00 ? 7 DC A "C2'" 5 +ATOM 2469 C "C1'" . DC A 1 7 ? -4.865 1.843 20.992 1.00 0.00 ? 7 DC A "C1'" 5 +ATOM 2470 N N1 . DC A 1 7 ? -4.025 1.707 19.768 1.00 0.00 ? 7 DC A N1 5 +ATOM 2471 C C2 . DC A 1 7 ? -3.647 0.391 19.499 1.00 0.00 ? 7 DC A C2 5 +ATOM 2472 O O2 . DC A 1 7 ? -4.462 -0.522 19.552 1.00 0.00 ? 7 DC A O2 5 +ATOM 2473 N N3 . DC A 1 7 ? -2.356 0.076 19.222 1.00 0.00 ? 7 DC A N3 5 +ATOM 2474 C C4 . DC A 1 7 ? -1.481 1.058 19.143 1.00 0.00 ? 7 DC A C4 5 +ATOM 2475 N N4 . DC A 1 7 ? -0.230 0.721 19.020 1.00 0.00 ? 7 DC A N4 5 +ATOM 2476 C C5 . DC A 1 7 ? -1.837 2.424 19.274 1.00 0.00 ? 7 DC A C5 5 +ATOM 2477 C C6 . DC A 1 7 ? -3.133 2.719 19.498 1.00 0.00 ? 7 DC A C6 5 +ATOM 2478 H "H5'" . DC A 1 7 ? -5.610 5.602 21.125 1.00 0.00 ? 7 DC A "H5'" 5 +ATOM 2479 H "H5''" . DC A 1 7 ? -5.165 5.743 22.832 1.00 0.00 ? 7 DC A "H5''" 5 +ATOM 2480 H "H4'" . DC A 1 7 ? -6.630 3.985 22.629 1.00 0.00 ? 7 DC A "H4'" 5 +ATOM 2481 H "H3'" . DC A 1 7 ? -4.226 3.447 23.861 1.00 0.00 ? 7 DC A "H3'" 5 +ATOM 2482 H "H2'" . DC A 1 7 ? -3.143 2.859 21.909 1.00 0.00 ? 7 DC A "H2'" 5 +ATOM 2483 H "H2''" . DC A 1 7 ? -3.353 1.272 22.453 1.00 0.00 ? 7 DC A "H2''" 5 +ATOM 2484 H "H1'" . DC A 1 7 ? -5.406 0.892 21.219 1.00 0.00 ? 7 DC A "H1'" 5 +ATOM 2485 H H41 . DC A 1 7 ? -0.054 -0.269 18.994 1.00 0.00 ? 7 DC A H41 5 +ATOM 2486 H H42 . DC A 1 7 ? 0.482 1.408 19.215 1.00 0.00 ? 7 DC A H42 5 +ATOM 2487 H H5 . DC A 1 7 ? -1.125 3.206 19.400 1.00 0.00 ? 7 DC A H5 5 +ATOM 2488 H H6 . DC A 1 7 ? -3.384 3.768 19.616 1.00 0.00 ? 7 DC A H6 5 +ATOM 2489 P P . DU A 1 8 ? -6.181 2.120 25.250 1.00 0.00 ? 8 DU A P 5 +ATOM 2490 O OP1 . DU A 1 8 ? -7.209 1.103 25.552 1.00 0.00 ? 8 DU A OP1 5 +ATOM 2491 O OP2 . DU A 1 8 ? -6.466 3.559 25.419 1.00 0.00 ? 8 DU A OP2 5 +ATOM 2492 O "O5'" . DU A 1 8 ? -4.852 1.745 26.069 1.00 0.00 ? 8 DU A "O5'" 5 +ATOM 2493 C "C5'" . DU A 1 8 ? -4.492 0.388 26.272 1.00 0.00 ? 8 DU A "C5'" 5 +ATOM 2494 C "C4'" . DU A 1 8 ? -2.988 0.252 26.551 1.00 0.00 ? 8 DU A "C4'" 5 +ATOM 2495 O "O4'" . DU A 1 8 ? -2.246 0.369 25.328 1.00 0.00 ? 8 DU A "O4'" 5 +ATOM 2496 C "C3'" . DU A 1 8 ? -2.411 1.313 27.515 1.00 0.00 ? 8 DU A "C3'" 5 +ATOM 2497 O "O3'" . DU A 1 8 ? -1.534 0.686 28.464 1.00 0.00 ? 8 DU A "O3'" 5 +ATOM 2498 C "C2'" . DU A 1 8 ? -1.645 2.227 26.547 1.00 0.00 ? 8 DU A "C2'" 5 +ATOM 2499 C "C1'" . DU A 1 8 ? -1.119 1.192 25.559 1.00 0.00 ? 8 DU A "C1'" 5 +ATOM 2500 N N1 . DU A 1 8 ? -0.519 1.648 24.294 1.00 0.00 ? 8 DU A N1 5 +ATOM 2501 C C2 . DU A 1 8 ? 0.260 0.701 23.629 1.00 0.00 ? 8 DU A C2 5 +ATOM 2502 O O2 . DU A 1 8 ? 0.567 -0.389 24.087 1.00 0.00 ? 8 DU A O2 5 +ATOM 2503 N N3 . DU A 1 8 ? 0.762 1.063 22.406 1.00 0.00 ? 8 DU A N3 5 +ATOM 2504 C C4 . DU A 1 8 ? 0.581 2.279 21.798 1.00 0.00 ? 8 DU A C4 5 +ATOM 2505 O O4 . DU A 1 8 ? 1.116 2.477 20.714 1.00 0.00 ? 8 DU A O4 5 +ATOM 2506 C C5 . DU A 1 8 ? -0.233 3.220 22.541 1.00 0.00 ? 8 DU A C5 5 +ATOM 2507 C C6 . DU A 1 8 ? -0.763 2.899 23.750 1.00 0.00 ? 8 DU A C6 5 +ATOM 2508 H "H5'" . DU A 1 8 ? -4.718 -0.225 25.396 1.00 0.00 ? 8 DU A "H5'" 5 +ATOM 2509 H "H5''" . DU A 1 8 ? -5.051 -0.002 27.124 1.00 0.00 ? 8 DU A "H5''" 5 +ATOM 2510 H "H4'" . DU A 1 8 ? -2.791 -0.753 26.955 1.00 0.00 ? 8 DU A "H4'" 5 +ATOM 2511 H "H3'" . DU A 1 8 ? -3.242 1.840 28.009 1.00 0.00 ? 8 DU A "H3'" 5 +ATOM 2512 H "H2'" . DU A 1 8 ? -2.383 2.892 26.089 1.00 0.00 ? 8 DU A "H2'" 5 +ATOM 2513 H "H2''" . DU A 1 8 ? -0.841 2.794 27.035 1.00 0.00 ? 8 DU A "H2''" 5 +ATOM 2514 H "H1'" . DU A 1 8 ? -0.416 0.552 26.116 1.00 0.00 ? 8 DU A "H1'" 5 +ATOM 2515 H H3 . DU A 1 8 ? 1.268 0.352 21.899 1.00 0.00 ? 8 DU A H3 5 +ATOM 2516 H H5 . DU A 1 8 ? -0.416 4.192 22.111 1.00 0.00 ? 8 DU A H5 5 +ATOM 2517 H H6 . DU A 1 8 ? -1.358 3.661 24.230 1.00 0.00 ? 8 DU A H6 5 +ATOM 2518 P P . DT A 1 9 ? -1.233 1.618 29.759 1.00 0.00 ? 9 DT A P 5 +ATOM 2519 O OP1 . DT A 1 9 ? -2.402 1.491 30.657 1.00 0.00 ? 9 DT A OP1 5 +ATOM 2520 O OP2 . DT A 1 9 ? -0.805 2.969 29.332 1.00 0.00 ? 9 DT A OP2 5 +ATOM 2521 O "O5'" . DT A 1 9 ? 0.010 0.871 30.470 1.00 0.00 ? 9 DT A "O5'" 5 +ATOM 2522 C "C5'" . DT A 1 9 ? 1.365 1.041 30.066 1.00 0.00 ? 9 DT A "C5'" 5 +ATOM 2523 C "C4'" . DT A 1 9 ? 1.676 0.613 28.616 1.00 0.00 ? 9 DT A "C4'" 5 +ATOM 2524 O "O4'" . DT A 1 9 ? 1.249 1.627 27.720 1.00 0.00 ? 9 DT A "O4'" 5 +ATOM 2525 C "C3'" . DT A 1 9 ? 3.192 0.429 28.379 1.00 0.00 ? 9 DT A "C3'" 5 +ATOM 2526 O "O3'" . DT A 1 9 ? 3.527 -0.910 28.068 1.00 0.00 ? 9 DT A "O3'" 5 +ATOM 2527 C "C2'" . DT A 1 9 ? 3.506 1.250 27.124 1.00 0.00 ? 9 DT A "C2'" 5 +ATOM 2528 C "C1'" . DT A 1 9 ? 2.158 1.770 26.655 1.00 0.00 ? 9 DT A "C1'" 5 +ATOM 2529 N N1 . DT A 1 9 ? 2.243 3.194 26.198 1.00 0.00 ? 9 DT A N1 5 +ATOM 2530 C C2 . DT A 1 9 ? 2.166 4.180 27.190 1.00 0.00 ? 9 DT A C2 5 +ATOM 2531 O O2 . DT A 1 9 ? 2.345 3.996 28.384 1.00 0.00 ? 9 DT A O2 5 +ATOM 2532 N N3 . DT A 1 9 ? 1.969 5.467 26.767 1.00 0.00 ? 9 DT A N3 5 +ATOM 2533 C C4 . DT A 1 9 ? 2.020 5.899 25.468 1.00 0.00 ? 9 DT A C4 5 +ATOM 2534 O O4 . DT A 1 9 ? 1.829 7.088 25.254 1.00 0.00 ? 9 DT A O4 5 +ATOM 2535 C C5 . DT A 1 9 ? 2.364 4.868 24.487 1.00 0.00 ? 9 DT A C5 5 +ATOM 2536 C C7 . DT A 1 9 ? 2.597 5.241 23.020 1.00 0.00 ? 9 DT A C7 5 +ATOM 2537 C C6 . DT A 1 9 ? 2.468 3.567 24.878 1.00 0.00 ? 9 DT A C6 5 +ATOM 2538 H "H5'" . DT A 1 9 ? 1.951 0.411 30.737 1.00 0.00 ? 9 DT A "H5'" 5 +ATOM 2539 H "H5''" . DT A 1 9 ? 1.678 2.074 30.227 1.00 0.00 ? 9 DT A "H5''" 5 +ATOM 2540 H "H4'" . DT A 1 9 ? 1.140 -0.315 28.414 1.00 0.00 ? 9 DT A "H4'" 5 +ATOM 2541 H "H3'" . DT A 1 9 ? 3.789 0.807 29.214 1.00 0.00 ? 9 DT A "H3'" 5 +ATOM 2542 H "H2'" . DT A 1 9 ? 4.158 2.087 27.365 1.00 0.00 ? 9 DT A "H2'" 5 +ATOM 2543 H "H2''" . DT A 1 9 ? 3.981 0.664 26.339 1.00 0.00 ? 9 DT A "H2''" 5 +ATOM 2544 H "H1'" . DT A 1 9 ? 1.774 1.070 25.911 1.00 0.00 ? 9 DT A "H1'" 5 +ATOM 2545 H H3 . DT A 1 9 ? 1.822 6.151 27.480 1.00 0.00 ? 9 DT A H3 5 +ATOM 2546 H H71 . DT A 1 9 ? 1.685 5.678 22.605 1.00 0.00 ? 9 DT A H71 5 +ATOM 2547 H H72 . DT A 1 9 ? 3.394 5.983 22.949 1.00 0.00 ? 9 DT A H72 5 +ATOM 2548 H H73 . DT A 1 9 ? 2.872 4.384 22.402 1.00 0.00 ? 9 DT A H73 5 +ATOM 2549 H H6 . DT A 1 9 ? 2.803 2.871 24.121 1.00 0.00 ? 9 DT A H6 5 +ATOM 2550 P P . DT A 1 10 B 3.525 -2.057 29.187 1.00 0.00 ? 1 DT A P 5 +ATOM 2551 O OP1 . DT A 1 10 B 2.136 -2.219 29.671 1.00 0.00 ? 1 DT A OP1 5 +ATOM 2552 O OP2 . DT A 1 10 B 4.620 -1.762 30.135 1.00 0.00 ? 1 DT A OP2 5 +ATOM 2553 O "O5'" . DT A 1 10 B 3.897 -3.372 28.341 1.00 0.00 ? 1 DT A "O5'" 5 +ATOM 2554 C "C5'" . DT A 1 10 B 5.174 -3.557 27.757 1.00 0.00 ? 1 DT A "C5'" 5 +ATOM 2555 C "C4'" . DT A 1 10 B 5.183 -4.834 26.891 1.00 0.00 ? 1 DT A "C4'" 5 +ATOM 2556 O "O4'" . DT A 1 10 B 4.266 -4.681 25.808 1.00 0.00 ? 1 DT A "O4'" 5 +ATOM 2557 C "C3'" . DT A 1 10 B 6.577 -5.063 26.266 1.00 0.00 ? 1 DT A "C3'" 5 +ATOM 2558 O "O3'" . DT A 1 10 B 6.844 -6.387 25.845 1.00 0.00 ? 1 DT A "O3'" 5 +ATOM 2559 C "C2'" . DT A 1 10 B 6.442 -4.246 24.989 1.00 0.00 ? 1 DT A "C2'" 5 +ATOM 2560 C "C1'" . DT A 1 10 B 4.996 -4.589 24.605 1.00 0.00 ? 1 DT A "C1'" 5 +ATOM 2561 N N1 . DT A 1 10 B 4.301 -3.650 23.683 1.00 0.00 ? 1 DT A N1 5 +ATOM 2562 C C2 . DT A 1 10 B 3.288 -4.192 22.890 1.00 0.00 ? 1 DT A C2 5 +ATOM 2563 O O2 . DT A 1 10 B 2.996 -5.380 22.861 1.00 0.00 ? 1 DT A O2 5 +ATOM 2564 N N3 . DT A 1 10 B 2.606 -3.329 22.073 1.00 0.00 ? 1 DT A N3 5 +ATOM 2565 C C4 . DT A 1 10 B 2.722 -1.959 22.079 1.00 0.00 ? 1 DT A C4 5 +ATOM 2566 O O4 . DT A 1 10 B 2.005 -1.298 21.340 1.00 0.00 ? 1 DT A O4 5 +ATOM 2567 C C5 . DT A 1 10 B 3.731 -1.429 22.997 1.00 0.00 ? 1 DT A C5 5 +ATOM 2568 C C7 . DT A 1 10 B 3.959 0.075 23.146 1.00 0.00 ? 1 DT A C7 5 +ATOM 2569 C C6 . DT A 1 10 B 4.470 -2.279 23.756 1.00 0.00 ? 1 DT A C6 5 +ATOM 2570 H "H5'" . DT A 1 10 B 5.920 -3.657 28.548 1.00 0.00 ? 1 DT A "H5'" 5 +ATOM 2571 H "H5''" . DT A 1 10 B 5.427 -2.693 27.140 1.00 0.00 ? 1 DT A "H5''" 5 +ATOM 2572 H "H4'" . DT A 1 10 B 4.887 -5.665 27.529 1.00 0.00 ? 1 DT A "H4'" 5 +ATOM 2573 H "H3'" . DT A 1 10 B 7.390 -4.684 26.890 1.00 0.00 ? 1 DT A "H3'" 5 +ATOM 2574 H "H2'" . DT A 1 10 B 6.609 -3.205 25.244 1.00 0.00 ? 1 DT A "H2'" 5 +ATOM 2575 H "H2''" . DT A 1 10 B 7.152 -4.551 24.219 1.00 0.00 ? 1 DT A "H2''" 5 +ATOM 2576 H "H1'" . DT A 1 10 B 5.034 -5.591 24.172 1.00 0.00 ? 1 DT A "H1'" 5 +ATOM 2577 H H3 . DT A 1 10 B 1.982 -3.757 21.399 1.00 0.00 ? 1 DT A H3 5 +ATOM 2578 H H71 . DT A 1 10 B 4.961 0.304 23.514 1.00 0.00 ? 1 DT A H71 5 +ATOM 2579 H H72 . DT A 1 10 B 3.835 0.565 22.182 1.00 0.00 ? 1 DT A H72 5 +ATOM 2580 H H73 . DT A 1 10 B 3.225 0.473 23.846 1.00 0.00 ? 1 DT A H73 5 +ATOM 2581 H H6 . DT A 1 10 B 5.176 -1.833 24.433 1.00 0.00 ? 1 DT A H6 5 +ATOM 2582 P P . DT A 1 11 B 7.132 -7.575 26.884 1.00 0.00 ? 2 DT A P 5 +ATOM 2583 O OP1 . DT A 1 11 B 7.818 -6.995 28.058 1.00 0.00 ? 2 DT A OP1 5 +ATOM 2584 O OP2 . DT A 1 11 B 7.756 -8.690 26.140 1.00 0.00 ? 2 DT A OP2 5 +ATOM 2585 O "O5'" . DT A 1 11 B 5.653 -8.023 27.315 1.00 0.00 ? 2 DT A "O5'" 5 +ATOM 2586 C "C5'" . DT A 1 11 B 4.724 -8.507 26.357 1.00 0.00 ? 2 DT A "C5'" 5 +ATOM 2587 C "C4'" . DT A 1 11 B 3.319 -8.622 26.971 1.00 0.00 ? 2 DT A "C4'" 5 +ATOM 2588 O "O4'" . DT A 1 11 B 2.848 -7.330 27.355 1.00 0.00 ? 2 DT A "O4'" 5 +ATOM 2589 C "C3'" . DT A 1 11 B 2.302 -9.185 25.960 1.00 0.00 ? 2 DT A "C3'" 5 +ATOM 2590 O "O3'" . DT A 1 11 B 1.434 -10.134 26.546 1.00 0.00 ? 2 DT A "O3'" 5 +ATOM 2591 C "C2'" . DT A 1 11 B 1.524 -7.934 25.598 1.00 0.00 ? 2 DT A "C2'" 5 +ATOM 2592 C "C1'" . DT A 1 11 B 1.518 -7.166 26.912 1.00 0.00 ? 2 DT A "C1'" 5 +ATOM 2593 N N1 . DT A 1 11 B 1.174 -5.718 26.804 1.00 0.00 ? 2 DT A N1 5 +ATOM 2594 C C2 . DT A 1 11 B 1.195 -4.999 28.001 1.00 0.00 ? 2 DT A C2 5 +ATOM 2595 O O2 . DT A 1 11 B 1.500 -5.485 29.083 1.00 0.00 ? 2 DT A O2 5 +ATOM 2596 N N3 . DT A 1 11 B 0.769 -3.697 27.952 1.00 0.00 ? 2 DT A N3 5 +ATOM 2597 C C4 . DT A 1 11 B 0.280 -3.047 26.846 1.00 0.00 ? 2 DT A C4 5 +ATOM 2598 O O4 . DT A 1 11 B -0.118 -1.895 26.967 1.00 0.00 ? 2 DT A O4 5 +ATOM 2599 C C5 . DT A 1 11 B 0.274 -3.843 25.616 1.00 0.00 ? 2 DT A C5 5 +ATOM 2600 C C7 . DT A 1 11 B -0.309 -3.299 24.311 1.00 0.00 ? 2 DT A C7 5 +ATOM 2601 C C6 . DT A 1 11 B 0.736 -5.120 25.631 1.00 0.00 ? 2 DT A C6 5 +ATOM 2602 H "H5'" . DT A 1 11 B 5.048 -9.491 26.011 1.00 0.00 ? 2 DT A "H5'" 5 +ATOM 2603 H "H5''" . DT A 1 11 B 4.665 -7.834 25.499 1.00 0.00 ? 2 DT A "H5''" 5 +ATOM 2604 H "H4'" . DT A 1 11 B 3.369 -9.270 27.848 1.00 0.00 ? 2 DT A "H4'" 5 +ATOM 2605 H "H3'" . DT A 1 11 B 2.804 -9.574 25.072 1.00 0.00 ? 2 DT A "H3'" 5 +ATOM 2606 H "H2'" . DT A 1 11 B 2.090 -7.390 24.844 1.00 0.00 ? 2 DT A "H2'" 5 +ATOM 2607 H "H2''" . DT A 1 11 B 0.517 -8.187 25.269 1.00 0.00 ? 2 DT A "H2''" 5 +ATOM 2608 H "H1'" . DT A 1 11 B 0.837 -7.661 27.610 1.00 0.00 ? 2 DT A "H1'" 5 +ATOM 2609 H H3 . DT A 1 11 B 1.055 -3.117 28.748 1.00 0.00 ? 2 DT A H3 5 +ATOM 2610 H H71 . DT A 1 11 B -0.879 -4.064 23.779 1.00 0.00 ? 2 DT A H71 5 +ATOM 2611 H H72 . DT A 1 11 B -0.980 -2.462 24.510 1.00 0.00 ? 2 DT A H72 5 +ATOM 2612 H H73 . DT A 1 11 B 0.493 -2.944 23.666 1.00 0.00 ? 2 DT A H73 5 +ATOM 2613 H H6 . DT A 1 11 B 0.757 -5.630 24.679 1.00 0.00 ? 2 DT A H6 5 +ATOM 2614 P P . DG A 1 12 B 0.643 -11.213 25.646 1.00 0.00 ? 3 DG A P 5 +ATOM 2615 O OP1 . DG A 1 12 B -0.204 -12.019 26.551 1.00 0.00 ? 3 DG A OP1 5 +ATOM 2616 O OP2 . DG A 1 12 B 1.638 -11.887 24.784 1.00 0.00 ? 3 DG A OP2 5 +ATOM 2617 O "O5'" . DG A 1 12 B -0.332 -10.335 24.702 1.00 0.00 ? 3 DG A "O5'" 5 +ATOM 2618 C "C5'" . DG A 1 12 B -0.172 -10.281 23.290 1.00 0.00 ? 3 DG A "C5'" 5 +ATOM 2619 C "C4'" . DG A 1 12 B -1.225 -9.350 22.648 1.00 0.00 ? 3 DG A "C4'" 5 +ATOM 2620 O "O4'" . DG A 1 12 B -0.776 -7.987 22.581 1.00 0.00 ? 3 DG A "O4'" 5 +ATOM 2621 C "C3'" . DG A 1 12 B -1.594 -9.754 21.199 1.00 0.00 ? 3 DG A "C3'" 5 +ATOM 2622 O "O3'" . DG A 1 12 B -3.002 -9.723 21.053 1.00 0.00 ? 3 DG A "O3'" 5 +ATOM 2623 C "C2'" . DG A 1 12 B -0.937 -8.637 20.396 1.00 0.00 ? 3 DG A "C2'" 5 +ATOM 2624 C "C1'" . DG A 1 12 B -1.198 -7.469 21.329 1.00 0.00 ? 3 DG A "C1'" 5 +ATOM 2625 N N9 . DG A 1 12 B -0.474 -6.252 20.903 1.00 0.00 ? 3 DG A N9 5 +ATOM 2626 C C8 . DG A 1 12 B 0.845 -6.093 20.560 1.00 0.00 ? 3 DG A C8 5 +ATOM 2627 N N7 . DG A 1 12 B 1.157 -4.888 20.163 1.00 0.00 ? 3 DG A N7 5 +ATOM 2628 C C5 . DG A 1 12 B -0.068 -4.212 20.178 1.00 0.00 ? 3 DG A C5 5 +ATOM 2629 C C6 . DG A 1 12 B -0.454 -2.906 19.721 1.00 0.00 ? 3 DG A C6 5 +ATOM 2630 O O6 . DG A 1 12 B 0.232 -2.050 19.183 1.00 0.00 ? 3 DG A O6 5 +ATOM 2631 N N1 . DG A 1 12 B -1.792 -2.613 19.898 1.00 0.00 ? 3 DG A N1 5 +ATOM 2632 C C2 . DG A 1 12 B -2.692 -3.518 20.345 1.00 0.00 ? 3 DG A C2 5 +ATOM 2633 N N2 . DG A 1 12 B -3.947 -3.227 20.163 1.00 0.00 ? 3 DG A N2 5 +ATOM 2634 N N3 . DG A 1 12 B -2.393 -4.764 20.694 1.00 0.00 ? 3 DG A N3 5 +ATOM 2635 C C4 . DG A 1 12 B -1.065 -5.048 20.618 1.00 0.00 ? 3 DG A C4 5 +ATOM 2636 H "H5'" . DG A 1 12 B -0.312 -11.295 22.908 1.00 0.00 ? 3 DG A "H5'" 5 +ATOM 2637 H "H5''" . DG A 1 12 B 0.830 -9.942 23.017 1.00 0.00 ? 3 DG A "H5''" 5 +ATOM 2638 H "H4'" . DG A 1 12 B -2.125 -9.405 23.268 1.00 0.00 ? 3 DG A "H4'" 5 +ATOM 2639 H "H3'" . DG A 1 12 B -1.198 -10.734 20.922 1.00 0.00 ? 3 DG A "H3'" 5 +ATOM 2640 H "H2'" . DG A 1 12 B 0.130 -8.832 20.317 1.00 0.00 ? 3 DG A "H2'" 5 +ATOM 2641 H "H2''" . DG A 1 12 B -1.359 -8.484 19.405 1.00 0.00 ? 3 DG A "H2''" 5 +ATOM 2642 H "H1'" . DG A 1 12 B -2.269 -7.270 21.357 1.00 0.00 ? 3 DG A "H1'" 5 +ATOM 2643 H H8 . DG A 1 12 B 1.567 -6.895 20.579 1.00 0.00 ? 3 DG A H8 5 +ATOM 2644 H H1 . DG A 1 12 B -2.096 -1.697 19.593 1.00 0.00 ? 3 DG A H1 5 +ATOM 2645 H H21 . DG A 1 12 B -4.215 -2.332 19.778 1.00 0.00 ? 3 DG A H21 5 +ATOM 2646 H H22 . DG A 1 12 B -4.545 -4.039 20.160 1.00 0.00 ? 3 DG A H22 5 +ATOM 2647 P P . DG A 1 13 B -3.730 -10.069 19.663 1.00 0.00 ? 4 DG A P 5 +ATOM 2648 O OP1 . DG A 1 13 B -4.939 -10.861 19.974 1.00 0.00 ? 4 DG A OP1 5 +ATOM 2649 O OP2 . DG A 1 13 B -2.716 -10.609 18.732 1.00 0.00 ? 4 DG A OP2 5 +ATOM 2650 O "O5'" . DG A 1 13 B -4.198 -8.618 19.126 1.00 0.00 ? 4 DG A "O5'" 5 +ATOM 2651 C "C5'" . DG A 1 13 B -5.223 -7.885 19.785 1.00 0.00 ? 4 DG A "C5'" 5 +ATOM 2652 C "C4'" . DG A 1 13 B -5.760 -6.710 18.942 1.00 0.00 ? 4 DG A "C4'" 5 +ATOM 2653 O "O4'" . DG A 1 13 B -4.836 -5.623 18.868 1.00 0.00 ? 4 DG A "O4'" 5 +ATOM 2654 C "C3'" . DG A 1 13 B -6.105 -7.125 17.498 1.00 0.00 ? 4 DG A "C3'" 5 +ATOM 2655 O "O3'" . DG A 1 13 B -7.353 -6.575 17.124 1.00 0.00 ? 4 DG A "O3'" 5 +ATOM 2656 C "C2'" . DG A 1 13 B -4.962 -6.462 16.740 1.00 0.00 ? 4 DG A "C2'" 5 +ATOM 2657 C "C1'" . DG A 1 13 B -4.801 -5.166 17.527 1.00 0.00 ? 4 DG A "C1'" 5 +ATOM 2658 N N9 . DG A 1 13 B -3.508 -4.513 17.236 1.00 0.00 ? 4 DG A N9 5 +ATOM 2659 C C8 . DG A 1 13 B -2.269 -5.094 17.191 1.00 0.00 ? 4 DG A C8 5 +ATOM 2660 N N7 . DG A 1 13 B -1.299 -4.276 16.888 1.00 0.00 ? 4 DG A N7 5 +ATOM 2661 C C5 . DG A 1 13 B -1.951 -3.051 16.702 1.00 0.00 ? 4 DG A C5 5 +ATOM 2662 C C6 . DG A 1 13 B -1.464 -1.749 16.337 1.00 0.00 ? 4 DG A C6 5 +ATOM 2663 O O6 . DG A 1 13 B -0.321 -1.404 16.068 1.00 0.00 ? 4 DG A O6 5 +ATOM 2664 N N1 . DG A 1 13 B -2.438 -0.772 16.264 1.00 0.00 ? 4 DG A N1 5 +ATOM 2665 C C2 . DG A 1 13 B -3.746 -1.024 16.498 1.00 0.00 ? 4 DG A C2 5 +ATOM 2666 N N2 . DG A 1 13 B -4.556 -0.011 16.360 1.00 0.00 ? 4 DG A N2 5 +ATOM 2667 N N3 . DG A 1 13 B -4.251 -2.218 16.802 1.00 0.00 ? 4 DG A N3 5 +ATOM 2668 C C4 . DG A 1 13 B -3.304 -3.195 16.900 1.00 0.00 ? 4 DG A C4 5 +ATOM 2669 H "H5'" . DG A 1 13 B -4.856 -7.508 20.741 1.00 0.00 ? 4 DG A "H5'" 5 +ATOM 2670 H "H5''" . DG A 1 13 B -6.075 -8.541 19.979 1.00 0.00 ? 4 DG A "H5''" 5 +ATOM 2671 H "H4'" . DG A 1 13 B -6.661 -6.346 19.441 1.00 0.00 ? 4 DG A "H4'" 5 +ATOM 2672 H "H3'" . DG A 1 13 B -6.106 -8.212 17.376 1.00 0.00 ? 4 DG A "H3'" 5 +ATOM 2673 H "H2'" . DG A 1 13 B -4.086 -7.099 16.836 1.00 0.00 ? 4 DG A "H2'" 5 +ATOM 2674 H "H2''" . DG A 1 13 B -5.160 -6.299 15.687 1.00 0.00 ? 4 DG A "H2''" 5 +ATOM 2675 H "H1'" . DG A 1 13 B -5.641 -4.498 17.327 1.00 0.00 ? 4 DG A "H1'" 5 +ATOM 2676 H H8 . DG A 1 13 B -2.117 -6.146 17.376 1.00 0.00 ? 4 DG A H8 5 +ATOM 2677 H H1 . DG A 1 13 B -2.132 0.181 16.102 1.00 0.00 ? 4 DG A H1 5 +ATOM 2678 H H21 . DG A 1 13 B -4.200 0.917 16.172 1.00 0.00 ? 4 DG A H21 5 +ATOM 2679 H H22 . DG A 1 13 B -5.524 -0.212 16.525 1.00 0.00 ? 4 DG A H22 5 +ATOM 2680 P P . DA A 1 14 B -8.030 -6.899 15.702 1.00 0.00 ? 5 DA A P 5 +ATOM 2681 O OP1 . DA A 1 14 B -9.466 -7.164 15.934 1.00 0.00 ? 5 DA A OP1 5 +ATOM 2682 O OP2 . DA A 1 14 B -7.199 -7.896 14.996 1.00 0.00 ? 5 DA A OP2 5 +ATOM 2683 O "O5'" . DA A 1 14 B -7.895 -5.494 14.929 1.00 0.00 ? 5 DA A "O5'" 5 +ATOM 2684 C "C5'" . DA A 1 14 B -8.696 -4.383 15.298 1.00 0.00 ? 5 DA A "C5'" 5 +ATOM 2685 C "C4'" . DA A 1 14 B -8.465 -3.175 14.376 1.00 0.00 ? 5 DA A "C4'" 5 +ATOM 2686 O "O4'" . DA A 1 14 B -7.161 -2.630 14.553 1.00 0.00 ? 5 DA A "O4'" 5 +ATOM 2687 C "C3'" . DA A 1 14 B -8.643 -3.497 12.879 1.00 0.00 ? 5 DA A "C3'" 5 +ATOM 2688 O "O3'" . DA A 1 14 B -9.460 -2.522 12.259 1.00 0.00 ? 5 DA A "O3'" 5 +ATOM 2689 C "C2'" . DA A 1 14 B -7.200 -3.415 12.386 1.00 0.00 ? 5 DA A "C2'" 5 +ATOM 2690 C "C1'" . DA A 1 14 B -6.649 -2.304 13.278 1.00 0.00 ? 5 DA A "C1'" 5 +ATOM 2691 N N9 . DA A 1 14 B -5.173 -2.323 13.342 1.00 0.00 ? 5 DA A N9 5 +ATOM 2692 C C8 . DA A 1 14 B -4.328 -3.352 13.687 1.00 0.00 ? 5 DA A C8 5 +ATOM 2693 N N7 . DA A 1 14 B -3.060 -3.045 13.639 1.00 0.00 ? 5 DA A N7 5 +ATOM 2694 C C5 . DA A 1 14 B -3.072 -1.701 13.252 1.00 0.00 ? 5 DA A C5 5 +ATOM 2695 C C6 . DA A 1 14 B -2.086 -0.717 13.008 1.00 0.00 ? 5 DA A C6 5 +ATOM 2696 N N6 . DA A 1 14 B -0.787 -0.908 13.124 1.00 0.00 ? 5 DA A N6 5 +ATOM 2697 N N1 . DA A 1 14 B -2.427 0.522 12.639 1.00 0.00 ? 5 DA A N1 5 +ATOM 2698 C C2 . DA A 1 14 B -3.717 0.815 12.535 1.00 0.00 ? 5 DA A C2 5 +ATOM 2699 N N3 . DA A 1 14 B -4.746 -0.001 12.730 1.00 0.00 ? 5 DA A N3 5 +ATOM 2700 C C4 . DA A 1 14 B -4.355 -1.254 13.088 1.00 0.00 ? 5 DA A C4 5 +ATOM 2701 H "H5'" . DA A 1 14 B -8.480 -4.089 16.327 1.00 0.00 ? 5 DA A "H5'" 5 +ATOM 2702 H "H5''" . DA A 1 14 B -9.753 -4.653 15.229 1.00 0.00 ? 5 DA A "H5''" 5 +ATOM 2703 H "H4'" . DA A 1 14 B -9.185 -2.407 14.665 1.00 0.00 ? 5 DA A "H4'" 5 +ATOM 2704 H "H3'" . DA A 1 14 B -9.063 -4.500 12.743 1.00 0.00 ? 5 DA A "H3'" 5 +ATOM 2705 H "H2'" . DA A 1 14 B -6.714 -4.370 12.581 1.00 0.00 ? 5 DA A "H2'" 5 +ATOM 2706 H "H2''" . DA A 1 14 B -7.127 -3.171 11.327 1.00 0.00 ? 5 DA A "H2''" 5 +ATOM 2707 H "H1'" . DA A 1 14 B -7.037 -1.328 12.965 1.00 0.00 ? 5 DA A "H1'" 5 +ATOM 2708 H H8 . DA A 1 14 B -4.662 -4.340 13.970 1.00 0.00 ? 5 DA A H8 5 +ATOM 2709 H H61 . DA A 1 14 B -0.179 -0.126 12.929 1.00 0.00 ? 5 DA A H61 5 +ATOM 2710 H H62 . DA A 1 14 B -0.448 -1.776 13.503 1.00 0.00 ? 5 DA A H62 5 +ATOM 2711 H H2 . DA A 1 14 B -3.967 1.817 12.232 1.00 0.00 ? 5 DA A H2 5 +ATOM 2712 P P . DT A 1 15 B -9.968 -2.688 10.740 1.00 0.00 ? 6 DT A P 5 +ATOM 2713 O OP1 . DT A 1 15 B -11.385 -2.268 10.688 1.00 0.00 ? 6 DT A OP1 5 +ATOM 2714 O OP2 . DT A 1 15 B -9.575 -4.027 10.254 1.00 0.00 ? 6 DT A OP2 5 +ATOM 2715 O "O5'" . DT A 1 15 B -9.087 -1.593 9.960 1.00 0.00 ? 6 DT A "O5'" 5 +ATOM 2716 C "C5'" . DT A 1 15 B -9.413 -0.214 10.023 1.00 0.00 ? 6 DT A "C5'" 5 +ATOM 2717 C "C4'" . DT A 1 15 B -8.327 0.658 9.374 1.00 0.00 ? 6 DT A "C4'" 5 +ATOM 2718 O "O4'" . DT A 1 15 B -7.084 0.464 10.030 1.00 0.00 ? 6 DT A "O4'" 5 +ATOM 2719 C "C3'" . DT A 1 15 B -8.076 0.367 7.885 1.00 0.00 ? 6 DT A "C3'" 5 +ATOM 2720 O "O3'" . DT A 1 15 B -8.820 1.234 7.056 1.00 0.00 ? 6 DT A "O3'" 5 +ATOM 2721 C "C2'" . DT A 1 15 B -6.564 0.603 7.753 1.00 0.00 ? 6 DT A "C2'" 5 +ATOM 2722 C "C1'" . DT A 1 15 B -6.088 0.935 9.159 1.00 0.00 ? 6 DT A "C1'" 5 +ATOM 2723 N N1 . DT A 1 15 B -4.786 0.276 9.394 1.00 0.00 ? 6 DT A N1 5 +ATOM 2724 C C2 . DT A 1 15 B -3.648 1.026 9.137 1.00 0.00 ? 6 DT A C2 5 +ATOM 2725 O O2 . DT A 1 15 B -3.664 2.197 8.792 1.00 0.00 ? 6 DT A O2 5 +ATOM 2726 N N3 . DT A 1 15 B -2.453 0.380 9.258 1.00 0.00 ? 6 DT A N3 5 +ATOM 2727 C C4 . DT A 1 15 B -2.273 -0.938 9.584 1.00 0.00 ? 6 DT A C4 5 +ATOM 2728 O O4 . DT A 1 15 B -1.126 -1.353 9.680 1.00 0.00 ? 6 DT A O4 5 +ATOM 2729 C C5 . DT A 1 15 B -3.507 -1.703 9.780 1.00 0.00 ? 6 DT A C5 5 +ATOM 2730 C C7 . DT A 1 15 B -3.471 -3.200 10.087 1.00 0.00 ? 6 DT A C7 5 +ATOM 2731 C C6 . DT A 1 15 B -4.709 -1.074 9.672 1.00 0.00 ? 6 DT A C6 5 +ATOM 2732 H "H5'" . DT A 1 15 B -9.518 0.100 11.065 1.00 0.00 ? 6 DT A "H5'" 5 +ATOM 2733 H "H5''" . DT A 1 15 B -10.359 -0.034 9.508 1.00 0.00 ? 6 DT A "H5''" 5 +ATOM 2734 H "H4'" . DT A 1 15 B -8.608 1.708 9.486 1.00 0.00 ? 6 DT A "H4'" 5 +ATOM 2735 H "H3'" . DT A 1 15 B -8.328 -0.676 7.676 1.00 0.00 ? 6 DT A "H3'" 5 +ATOM 2736 H "H2'" . DT A 1 15 B -6.123 -0.316 7.366 1.00 0.00 ? 6 DT A "H2'" 5 +ATOM 2737 H "H2''" . DT A 1 15 B -6.250 1.454 7.144 1.00 0.00 ? 6 DT A "H2''" 5 +ATOM 2738 H "H1'" . DT A 1 15 B -6.049 2.021 9.282 1.00 0.00 ? 6 DT A "H1'" 5 +ATOM 2739 H H3 . DT A 1 15 B -1.632 0.952 9.119 1.00 0.00 ? 6 DT A H3 5 +ATOM 2740 H H71 . DT A 1 15 B -2.625 -3.434 10.738 1.00 0.00 ? 6 DT A H71 5 +ATOM 2741 H H72 . DT A 1 15 B -4.383 -3.533 10.587 1.00 0.00 ? 6 DT A H72 5 +ATOM 2742 H H73 . DT A 1 15 B -3.360 -3.762 9.158 1.00 0.00 ? 6 DT A H73 5 +ATOM 2743 H H6 . DT A 1 15 B -5.630 -1.629 9.782 1.00 0.00 ? 6 DT A H6 5 +ATOM 2744 P P . DC A 1 16 B -8.997 0.960 5.476 1.00 0.00 ? 7 DC A P 5 +ATOM 2745 O OP1 . DC A 1 16 B -10.436 1.052 5.152 1.00 0.00 ? 7 DC A OP1 5 +ATOM 2746 O OP2 . DC A 1 16 B -8.227 -0.248 5.110 1.00 0.00 ? 7 DC A OP2 5 +ATOM 2747 O "O5'" . DC A 1 16 B -8.264 2.215 4.796 1.00 0.00 ? 7 DC A "O5'" 5 +ATOM 2748 C "C5'" . DC A 1 16 B -8.501 3.545 5.232 1.00 0.00 ? 7 DC A "C5'" 5 +ATOM 2749 C "C4'" . DC A 1 16 B -7.155 4.269 5.401 1.00 0.00 ? 7 DC A "C4'" 5 +ATOM 2750 O "O4'" . DC A 1 16 B -6.261 3.415 6.116 1.00 0.00 ? 7 DC A "O4'" 5 +ATOM 2751 C "C3'" . DC A 1 16 B -6.484 4.633 4.066 1.00 0.00 ? 7 DC A "C3'" 5 +ATOM 2752 O "O3'" . DC A 1 16 B -5.880 5.908 4.125 1.00 0.00 ? 7 DC A "O3'" 5 +ATOM 2753 C "C2'" . DC A 1 16 B -5.438 3.538 3.966 1.00 0.00 ? 7 DC A "C2'" 5 +ATOM 2754 C "C1'" . DC A 1 16 B -5.038 3.339 5.424 1.00 0.00 ? 7 DC A "C1'" 5 +ATOM 2755 N N1 . DC A 1 16 B -4.241 2.100 5.561 1.00 0.00 ? 7 DC A N1 5 +ATOM 2756 C C2 . DC A 1 16 B -2.878 2.176 5.871 1.00 0.00 ? 7 DC A C2 5 +ATOM 2757 O O2 . DC A 1 16 B -2.289 3.247 5.959 1.00 0.00 ? 7 DC A O2 5 +ATOM 2758 N N3 . DC A 1 16 B -2.155 1.037 6.047 1.00 0.00 ? 7 DC A N3 5 +ATOM 2759 C C4 . DC A 1 16 B -2.763 -0.124 5.879 1.00 0.00 ? 7 DC A C4 5 +ATOM 2760 N N4 . DC A 1 16 B -2.045 -1.190 6.089 1.00 0.00 ? 7 DC A N4 5 +ATOM 2761 C C5 . DC A 1 16 B -4.098 -0.247 5.404 1.00 0.00 ? 7 DC A C5 5 +ATOM 2762 C C6 . DC A 1 16 B -4.797 0.895 5.247 1.00 0.00 ? 7 DC A C6 5 +ATOM 2763 H "H5'" . DC A 1 16 B -9.011 3.585 6.197 1.00 0.00 ? 7 DC A "H5'" 5 +ATOM 2764 H "H5''" . DC A 1 16 B -9.128 4.064 4.506 1.00 0.00 ? 7 DC A "H5''" 5 +ATOM 2765 H "H4'" . DC A 1 16 B -7.326 5.181 5.975 1.00 0.00 ? 7 DC A "H4'" 5 +ATOM 2766 H "H3'" . DC A 1 16 B -7.212 4.576 3.251 1.00 0.00 ? 7 DC A "H3'" 5 +ATOM 2767 H "H2'" . DC A 1 16 B -5.925 2.667 3.531 1.00 0.00 ? 7 DC A "H2'" 5 +ATOM 2768 H "H2''" . DC A 1 16 B -4.582 3.767 3.359 1.00 0.00 ? 7 DC A "H2''" 5 +ATOM 2769 H "H1'" . DC A 1 16 B -4.538 4.135 5.931 1.00 0.00 ? 7 DC A "H1'" 5 +ATOM 2770 H H41 . DC A 1 16 B -1.099 -0.999 6.384 1.00 0.00 ? 7 DC A H41 5 +ATOM 2771 H H42 . DC A 1 16 B -2.431 -2.108 5.989 1.00 0.00 ? 7 DC A H42 5 +ATOM 2772 H H5 . DC A 1 16 B -4.598 -1.173 5.195 1.00 0.00 ? 7 DC A H5 5 +ATOM 2773 H H6 . DC A 1 16 B -5.820 0.868 4.906 1.00 0.00 ? 7 DC A H6 5 +ATOM 2774 P P . DC A 1 17 B -5.344 6.634 2.794 1.00 0.00 ? 8 DC A P 5 +ATOM 2775 O OP1 . DC A 1 17 B -5.616 8.080 2.926 1.00 0.00 ? 8 DC A OP1 5 +ATOM 2776 O OP2 . DC A 1 17 B -5.862 5.895 1.622 1.00 0.00 ? 8 DC A OP2 5 +ATOM 2777 O "O5'" . DC A 1 17 B -3.753 6.408 2.844 1.00 0.00 ? 8 DC A "O5'" 5 +ATOM 2778 C "C5'" . DC A 1 17 B -2.916 7.177 3.694 1.00 0.00 ? 8 DC A "C5'" 5 +ATOM 2779 C "C4'" . DC A 1 17 B -1.431 6.955 3.351 1.00 0.00 ? 8 DC A "C4'" 5 +ATOM 2780 O "O4'" . DC A 1 17 B -1.036 5.629 3.694 1.00 0.00 ? 8 DC A "O4'" 5 +ATOM 2781 C "C3'" . DC A 1 17 B -1.146 7.158 1.847 1.00 0.00 ? 8 DC A "C3'" 5 +ATOM 2782 O "O3'" . DC A 1 17 B 0.072 7.853 1.655 1.00 0.00 ? 8 DC A "O3'" 5 +ATOM 2783 C "C2'" . DC A 1 17 B -1.036 5.708 1.395 1.00 0.00 ? 8 DC A "C2'" 5 +ATOM 2784 C "C1'" . DC A 1 17 B -0.337 5.083 2.598 1.00 0.00 ? 8 DC A "C1'" 5 +ATOM 2785 N N1 . DC A 1 17 B -0.496 3.598 2.627 1.00 0.00 ? 8 DC A N1 5 +ATOM 2786 C C2 . DC A 1 17 B 0.656 2.833 2.798 1.00 0.00 ? 8 DC A C2 5 +ATOM 2787 O O2 . DC A 1 17 B 1.765 3.343 2.733 1.00 0.00 ? 8 DC A O2 5 +ATOM 2788 N N3 . DC A 1 17 B 0.579 1.498 3.044 1.00 0.00 ? 8 DC A N3 5 +ATOM 2789 C C4 . DC A 1 17 B -0.616 0.938 3.087 1.00 0.00 ? 8 DC A C4 5 +ATOM 2790 N N4 . DC A 1 17 B -0.640 -0.338 3.346 1.00 0.00 ? 8 DC A N4 5 +ATOM 2791 C C5 . DC A 1 17 B -1.822 1.637 2.803 1.00 0.00 ? 8 DC A C5 5 +ATOM 2792 C C6 . DC A 1 17 B -1.727 2.968 2.578 1.00 0.00 ? 8 DC A C6 5 +ATOM 2793 H "H5'" . DC A 1 17 B -3.096 6.912 4.738 1.00 0.00 ? 8 DC A "H5'" 5 +ATOM 2794 H "H5''" . DC A 1 17 B -3.122 8.242 3.564 1.00 0.00 ? 8 DC A "H5''" 5 +ATOM 2795 H "H4'" . DC A 1 17 B -0.838 7.659 3.938 1.00 0.00 ? 8 DC A "H4'" 5 +ATOM 2796 H "H3'" . DC A 1 17 B -1.975 7.680 1.363 1.00 0.00 ? 8 DC A "H3'" 5 +ATOM 2797 H "H2'" . DC A 1 17 B -2.054 5.370 1.234 1.00 0.00 ? 8 DC A "H2'" 5 +ATOM 2798 H "H2''" . DC A 1 17 B -0.482 5.523 0.489 1.00 0.00 ? 8 DC A "H2''" 5 +ATOM 2799 H "H1'" . DC A 1 17 B 0.710 5.460 2.642 1.00 0.00 ? 8 DC A "H1'" 5 +ATOM 2800 H H41 . DC A 1 17 B 0.248 -0.760 3.564 1.00 0.00 ? 8 DC A H41 5 +ATOM 2801 H H42 . DC A 1 17 B -1.513 -0.823 3.420 1.00 0.00 ? 8 DC A H42 5 +ATOM 2802 H H5 . DC A 1 17 B -2.779 1.143 2.758 1.00 0.00 ? 8 DC A H5 5 +ATOM 2803 H H6 . DC A 1 17 B -2.653 3.484 2.339 1.00 0.00 ? 8 DC A H6 5 +ATOM 2804 P P . DT A 1 18 B 0.511 8.393 0.205 1.00 0.00 ? 9 DT A P 5 +ATOM 2805 O OP1 . DT A 1 18 B 1.411 9.550 0.388 1.00 0.00 ? 9 DT A OP1 5 +ATOM 2806 O OP2 . DT A 1 18 B -0.702 8.536 -0.629 1.00 0.00 ? 9 DT A OP2 5 +ATOM 2807 O "O5'" . DT A 1 18 B 1.384 7.192 -0.411 1.00 0.00 ? 9 DT A "O5'" 5 +ATOM 2808 C "C5'" . DT A 1 18 B 1.277 6.840 -1.779 1.00 0.00 ? 9 DT A "C5'" 5 +ATOM 2809 C "C4'" . DT A 1 18 B 2.428 5.906 -2.191 1.00 0.00 ? 9 DT A "C4'" 5 +ATOM 2810 O "O4'" . DT A 1 18 B 2.345 4.659 -1.504 1.00 0.00 ? 9 DT A "O4'" 5 +ATOM 2811 C "C3'" . DT A 1 18 B 2.354 5.577 -3.690 1.00 0.00 ? 9 DT A "C3'" 5 +ATOM 2812 O "O3'" . DT A 1 18 B 3.623 5.291 -4.242 1.00 0.00 ? 9 DT A "O3'" 5 +ATOM 2813 C "C2'" . DT A 1 18 B 1.503 4.323 -3.711 1.00 0.00 ? 9 DT A "C2'" 5 +ATOM 2814 C "C1'" . DT A 1 18 B 1.941 3.654 -2.413 1.00 0.00 ? 9 DT A "C1'" 5 +ATOM 2815 N N1 . DT A 1 18 B 0.956 2.769 -1.742 1.00 0.00 ? 9 DT A N1 5 +ATOM 2816 C C2 . DT A 1 18 B 1.486 1.696 -1.026 1.00 0.00 ? 9 DT A C2 5 +ATOM 2817 O O2 . DT A 1 18 B 2.674 1.410 -0.985 1.00 0.00 ? 9 DT A O2 5 +ATOM 2818 N N3 . DT A 1 18 B 0.595 0.884 -0.383 1.00 0.00 ? 9 DT A N3 5 +ATOM 2819 C C4 . DT A 1 18 B -0.763 1.046 -0.351 1.00 0.00 ? 9 DT A C4 5 +ATOM 2820 O O4 . DT A 1 18 B -1.431 0.145 0.141 1.00 0.00 ? 9 DT A O4 5 +ATOM 2821 C C5 . DT A 1 18 B -1.244 2.305 -0.926 1.00 0.00 ? 9 DT A C5 5 +ATOM 2822 C C7 . DT A 1 18 B -2.711 2.723 -0.818 1.00 0.00 ? 9 DT A C7 5 +ATOM 2823 C C6 . DT A 1 18 B -0.376 3.116 -1.593 1.00 0.00 ? 9 DT A C6 5 +ATOM 2824 H "H5'" . DT A 1 18 B 1.343 7.741 -2.393 1.00 0.00 ? 9 DT A "H5'" 5 +ATOM 2825 H "H5''" . DT A 1 18 B 0.314 6.359 -1.963 1.00 0.00 ? 9 DT A "H5''" 5 +ATOM 2826 H "H4'" . DT A 1 18 B 3.367 6.414 -1.957 1.00 0.00 ? 9 DT A "H4'" 5 +ATOM 2827 H "H3'" . DT A 1 18 B 1.849 6.365 -4.250 1.00 0.00 ? 9 DT A "H3'" 5 +ATOM 2828 H "H2'" . DT A 1 18 B 0.481 4.629 -3.764 1.00 0.00 ? 9 DT A "H2'" 5 +ATOM 2829 H "H2''" . DT A 1 18 B 1.699 3.689 -4.571 1.00 0.00 ? 9 DT A "H2''" 5 +ATOM 2830 H "H1'" . DT A 1 18 B 2.812 3.084 -2.720 1.00 0.00 ? 9 DT A "H1'" 5 +ATOM 2831 H H3 . DT A 1 18 B 0.981 0.064 0.064 1.00 0.00 ? 9 DT A H3 5 +ATOM 2832 H H71 . DT A 1 18 B -2.795 3.763 -0.495 1.00 0.00 ? 9 DT A H71 5 +ATOM 2833 H H72 . DT A 1 18 B -3.200 2.619 -1.787 1.00 0.00 ? 9 DT A H72 5 +ATOM 2834 H H73 . DT A 1 18 B -3.245 2.102 -0.095 1.00 0.00 ? 9 DT A H73 5 +ATOM 2835 H H6 . DT A 1 18 B -0.740 4.060 -1.971 1.00 0.00 ? 9 DT A H6 5 +ATOM 2836 O "O5'" . DA A 1 1 ? 8.462 -6.271 -1.076 1.00 0.00 ? 1 DA A "O5'" 6 +ATOM 2837 C "C5'" . DA A 1 1 ? 7.147 -5.747 -1.048 1.00 0.00 ? 1 DA A "C5'" 6 +ATOM 2838 C "C4'" . DA A 1 1 ? 6.969 -4.728 0.086 1.00 0.00 ? 1 DA A "C4'" 6 +ATOM 2839 O "O4'" . DA A 1 1 ? 5.629 -4.245 0.141 1.00 0.00 ? 1 DA A "O4'" 6 +ATOM 2840 C "C3'" . DA A 1 1 ? 7.286 -5.305 1.481 1.00 0.00 ? 1 DA A "C3'" 6 +ATOM 2841 O "O3'" . DA A 1 1 ? 8.175 -4.491 2.209 1.00 0.00 ? 1 DA A "O3'" 6 +ATOM 2842 C "C2'" . DA A 1 1 ? 5.917 -5.272 2.141 1.00 0.00 ? 1 DA A "C2'" 6 +ATOM 2843 C "C1'" . DA A 1 1 ? 5.319 -4.021 1.503 1.00 0.00 ? 1 DA A "C1'" 6 +ATOM 2844 N N9 . DA A 1 1 ? 3.856 -3.919 1.680 1.00 0.00 ? 1 DA A N9 6 +ATOM 2845 C C8 . DA A 1 1 ? 2.959 -4.881 2.080 1.00 0.00 ? 1 DA A C8 6 +ATOM 2846 N N7 . DA A 1 1 ? 1.707 -4.526 1.984 1.00 0.00 ? 1 DA A N7 6 +ATOM 2847 C C5 . DA A 1 1 ? 1.789 -3.211 1.516 1.00 0.00 ? 1 DA A C5 6 +ATOM 2848 C C6 . DA A 1 1 ? 0.850 -2.212 1.177 1.00 0.00 ? 1 DA A C6 6 +ATOM 2849 N N6 . DA A 1 1 ? -0.457 -2.384 1.218 1.00 0.00 ? 1 DA A N6 6 +ATOM 2850 N N1 . DA A 1 1 ? 1.236 -1.012 0.725 1.00 0.00 ? 1 DA A N1 6 +ATOM 2851 C C2 . DA A 1 1 ? 2.541 -0.777 0.636 1.00 0.00 ? 1 DA A C2 6 +ATOM 2852 N N3 . DA A 1 1 ? 3.537 -1.615 0.915 1.00 0.00 ? 1 DA A N3 6 +ATOM 2853 C C4 . DA A 1 1 ? 3.092 -2.828 1.348 1.00 0.00 ? 1 DA A C4 6 +ATOM 2854 H "H5'" . DA A 1 1 ? 6.444 -6.571 -0.919 1.00 0.00 ? 1 DA A "H5'" 6 +ATOM 2855 H "H5''" . DA A 1 1 ? 6.944 -5.259 -2.002 1.00 0.00 ? 1 DA A "H5''" 6 +ATOM 2856 H "H4'" . DA A 1 1 ? 7.620 -3.874 -0.116 1.00 0.00 ? 1 DA A "H4'" 6 +ATOM 2857 H "H3'" . DA A 1 1 ? 7.628 -6.343 1.449 1.00 0.00 ? 1 DA A "H3'" 6 +ATOM 2858 H "H2'" . DA A 1 1 ? 5.377 -6.172 1.848 1.00 0.00 ? 1 DA A "H2'" 6 +ATOM 2859 H "H2''" . DA A 1 1 ? 5.981 -5.198 3.227 1.00 0.00 ? 1 DA A "H2''" 6 +ATOM 2860 H "H1'" . DA A 1 1 ? 5.820 -3.115 1.852 1.00 0.00 ? 1 DA A "H1'" 6 +ATOM 2861 H H8 . DA A 1 1 ? 3.245 -5.866 2.418 1.00 0.00 ? 1 DA A H8 6 +ATOM 2862 H H61 . DA A 1 1 ? -1.035 -1.600 0.949 1.00 0.00 ? 1 DA A H61 6 +ATOM 2863 H H62 . DA A 1 1 ? -0.827 -3.265 1.528 1.00 0.00 ? 1 DA A H62 6 +ATOM 2864 H H2 . DA A 1 1 ? 2.825 0.202 0.282 1.00 0.00 ? 1 DA A H2 6 +ATOM 2865 H "HO5'" . DA A 1 1 ? 9.062 -5.675 -0.589 1.00 0.00 ? 1 DA A "HO5'" 6 +ATOM 2866 P P . DG A 1 2 ? 9.752 -4.629 1.974 1.00 0.00 ? 2 DG A P 6 +ATOM 2867 O OP1 . DG A 1 2 ? 9.962 -4.808 0.517 1.00 0.00 ? 2 DG A OP1 6 +ATOM 2868 O OP2 . DG A 1 2 ? 10.258 -5.645 2.917 1.00 0.00 ? 2 DG A OP2 6 +ATOM 2869 O "O5'" . DG A 1 2 ? 10.294 -3.183 2.413 1.00 0.00 ? 2 DG A "O5'" 6 +ATOM 2870 C "C5'" . DG A 1 2 ? 10.398 -2.105 1.497 1.00 0.00 ? 2 DG A "C5'" 6 +ATOM 2871 C "C4'" . DG A 1 2 ? 10.012 -0.765 2.146 1.00 0.00 ? 2 DG A "C4'" 6 +ATOM 2872 O "O4'" . DG A 1 2 ? 8.602 -0.717 2.335 1.00 0.00 ? 2 DG A "O4'" 6 +ATOM 2873 C "C3'" . DG A 1 2 ? 10.665 -0.502 3.519 1.00 0.00 ? 2 DG A "C3'" 6 +ATOM 2874 O "O3'" . DG A 1 2 ? 10.916 0.890 3.607 1.00 0.00 ? 2 DG A "O3'" 6 +ATOM 2875 C "C2'" . DG A 1 2 ? 9.564 -0.964 4.467 1.00 0.00 ? 2 DG A "C2'" 6 +ATOM 2876 C "C1'" . DG A 1 2 ? 8.345 -0.472 3.703 1.00 0.00 ? 2 DG A "C1'" 6 +ATOM 2877 N N9 . DG A 1 2 ? 7.085 -1.130 4.085 1.00 0.00 ? 2 DG A N9 6 +ATOM 2878 C C8 . DG A 1 2 ? 6.843 -2.439 4.416 1.00 0.00 ? 2 DG A C8 6 +ATOM 2879 N N7 . DG A 1 2 ? 5.574 -2.737 4.522 1.00 0.00 ? 2 DG A N7 6 +ATOM 2880 C C5 . DG A 1 2 ? 4.928 -1.531 4.223 1.00 0.00 ? 2 DG A C5 6 +ATOM 2881 C C6 . DG A 1 2 ? 3.542 -1.161 4.145 1.00 0.00 ? 2 DG A C6 6 +ATOM 2882 O O6 . DG A 1 2 ? 2.552 -1.857 4.323 1.00 0.00 ? 2 DG A O6 6 +ATOM 2883 N N1 . DG A 1 2 ? 3.322 0.159 3.797 1.00 0.00 ? 2 DG A N1 6 +ATOM 2884 C C2 . DG A 1 2 ? 4.325 1.022 3.510 1.00 0.00 ? 2 DG A C2 6 +ATOM 2885 N N2 . DG A 1 2 ? 4.009 2.264 3.288 1.00 0.00 ? 2 DG A N2 6 +ATOM 2886 N N3 . DG A 1 2 ? 5.612 0.724 3.563 1.00 0.00 ? 2 DG A N3 6 +ATOM 2887 C C4 . DG A 1 2 ? 5.853 -0.564 3.921 1.00 0.00 ? 2 DG A C4 6 +ATOM 2888 H "H5'" . DG A 1 2 ? 9.757 -2.238 0.621 1.00 0.00 ? 2 DG A "H5'" 6 +ATOM 2889 H "H5''" . DG A 1 2 ? 11.433 -2.055 1.153 1.00 0.00 ? 2 DG A "H5''" 6 +ATOM 2890 H "H4'" . DG A 1 2 ? 10.290 0.022 1.442 1.00 0.00 ? 2 DG A "H4'" 6 +ATOM 2891 H "H3'" . DG A 1 2 ? 11.576 -1.084 3.662 1.00 0.00 ? 2 DG A "H3'" 6 +ATOM 2892 H "H2'" . DG A 1 2 ? 9.604 -2.049 4.531 1.00 0.00 ? 2 DG A "H2'" 6 +ATOM 2893 H "H2''" . DG A 1 2 ? 9.624 -0.544 5.470 1.00 0.00 ? 2 DG A "H2''" 6 +ATOM 2894 H "H1'" . DG A 1 2 ? 8.260 0.606 3.853 1.00 0.00 ? 2 DG A "H1'" 6 +ATOM 2895 H H8 . DG A 1 2 ? 7.627 -3.168 4.561 1.00 0.00 ? 2 DG A H8 6 +ATOM 2896 H H1 . DG A 1 2 ? 2.359 0.466 3.734 1.00 0.00 ? 2 DG A H1 6 +ATOM 2897 H H21 . DG A 1 2 ? 3.052 2.572 3.342 1.00 0.00 ? 2 DG A H21 6 +ATOM 2898 H H22 . DG A 1 2 ? 4.791 2.884 3.189 1.00 0.00 ? 2 DG A H22 6 +ATOM 2899 P P . DG A 1 3 ? 11.381 1.608 4.963 1.00 0.00 ? 3 DG A P 6 +ATOM 2900 O OP1 . DG A 1 3 ? 12.208 2.775 4.590 1.00 0.00 ? 3 DG A OP1 6 +ATOM 2901 O OP2 . DG A 1 3 ? 11.926 0.577 5.871 1.00 0.00 ? 3 DG A OP2 6 +ATOM 2902 O "O5'" . DG A 1 3 ? 9.973 2.142 5.552 1.00 0.00 ? 3 DG A "O5'" 6 +ATOM 2903 C "C5'" . DG A 1 3 ? 9.309 3.251 4.960 1.00 0.00 ? 3 DG A "C5'" 6 +ATOM 2904 C "C4'" . DG A 1 3 ? 8.019 3.672 5.691 1.00 0.00 ? 3 DG A "C4'" 6 +ATOM 2905 O "O4'" . DG A 1 3 ? 6.948 2.746 5.538 1.00 0.00 ? 3 DG A "O4'" 6 +ATOM 2906 C "C3'" . DG A 1 3 ? 8.195 3.868 7.206 1.00 0.00 ? 3 DG A "C3'" 6 +ATOM 2907 O "O3'" . DG A 1 3 ? 8.454 5.234 7.477 1.00 0.00 ? 3 DG A "O3'" 6 +ATOM 2908 C "C2'" . DG A 1 3 ? 6.830 3.423 7.739 1.00 0.00 ? 3 DG A "C2'" 6 +ATOM 2909 C "C1'" . DG A 1 3 ? 5.986 3.077 6.520 1.00 0.00 ? 3 DG A "C1'" 6 +ATOM 2910 N N9 . DG A 1 3 ? 5.063 1.958 6.784 1.00 0.00 ? 3 DG A N9 6 +ATOM 2911 C C8 . DG A 1 3 ? 5.401 0.700 7.190 1.00 0.00 ? 3 DG A C8 6 +ATOM 2912 N N7 . DG A 1 3 ? 4.397 -0.129 7.274 1.00 0.00 ? 3 DG A N7 6 +ATOM 2913 C C5 . DG A 1 3 ? 3.292 0.660 6.930 1.00 0.00 ? 3 DG A C5 6 +ATOM 2914 C C6 . DG A 1 3 ? 1.889 0.360 6.822 1.00 0.00 ? 3 DG A C6 6 +ATOM 2915 O O6 . DG A 1 3 ? 1.314 -0.714 6.954 1.00 0.00 ? 3 DG A O6 6 +ATOM 2916 N N1 . DG A 1 3 ? 1.095 1.451 6.536 1.00 0.00 ? 3 DG A N1 6 +ATOM 2917 C C2 . DG A 1 3 ? 1.593 2.685 6.297 1.00 0.00 ? 3 DG A C2 6 +ATOM 2918 N N2 . DG A 1 3 ? 0.717 3.620 6.059 1.00 0.00 ? 3 DG A N2 6 +ATOM 2919 N N3 . DG A 1 3 ? 2.885 3.005 6.355 1.00 0.00 ? 3 DG A N3 6 +ATOM 2920 C C4 . DG A 1 3 ? 3.692 1.952 6.673 1.00 0.00 ? 3 DG A C4 6 +ATOM 2921 H "H5'" . DG A 1 3 ? 9.062 3.029 3.919 1.00 0.00 ? 3 DG A "H5'" 6 +ATOM 2922 H "H5''" . DG A 1 3 ? 9.978 4.114 4.976 1.00 0.00 ? 3 DG A "H5''" 6 +ATOM 2923 H "H4'" . DG A 1 3 ? 7.682 4.613 5.248 1.00 0.00 ? 3 DG A "H4'" 6 +ATOM 2924 H "H3'" . DG A 1 3 ? 8.985 3.226 7.604 1.00 0.00 ? 3 DG A "H3'" 6 +ATOM 2925 H "H2'" . DG A 1 3 ? 6.972 2.579 8.412 1.00 0.00 ? 3 DG A "H2'" 6 +ATOM 2926 H "H2''" . DG A 1 3 ? 6.309 4.206 8.253 1.00 0.00 ? 3 DG A "H2''" 6 +ATOM 2927 H "H1'" . DG A 1 3 ? 5.433 3.972 6.232 1.00 0.00 ? 3 DG A "H1'" 6 +ATOM 2928 H H8 . DG A 1 3 ? 6.427 0.455 7.414 1.00 0.00 ? 3 DG A H8 6 +ATOM 2929 H H1 . DG A 1 3 ? 0.097 1.285 6.466 1.00 0.00 ? 3 DG A H1 6 +ATOM 2930 H H21 . DG A 1 3 ? -0.269 3.403 6.017 1.00 0.00 ? 3 DG A H21 6 +ATOM 2931 H H22 . DG A 1 3 ? 1.087 4.540 5.911 1.00 0.00 ? 3 DG A H22 6 +ATOM 2932 P P . DA A 1 4 ? 8.555 5.819 8.976 1.00 0.00 ? 4 DA A P 6 +ATOM 2933 O OP1 . DA A 1 4 ? 9.437 7.004 8.948 1.00 0.00 ? 4 DA A OP1 6 +ATOM 2934 O OP2 . DA A 1 4 ? 8.835 4.702 9.902 1.00 0.00 ? 4 DA A OP2 6 +ATOM 2935 O "O5'" . DA A 1 4 ? 7.050 6.331 9.241 1.00 0.00 ? 4 DA A "O5'" 6 +ATOM 2936 C "C5'" . DA A 1 4 ? 6.466 7.324 8.415 1.00 0.00 ? 4 DA A "C5'" 6 +ATOM 2937 C "C4'" . DA A 1 4 ? 4.964 7.503 8.693 1.00 0.00 ? 4 DA A "C4'" 6 +ATOM 2938 O "O4'" . DA A 1 4 ? 4.263 6.276 8.509 1.00 0.00 ? 4 DA A "O4'" 6 +ATOM 2939 C "C3'" . DA A 1 4 ? 4.638 8.023 10.104 1.00 0.00 ? 4 DA A "C3'" 6 +ATOM 2940 O "O3'" . DA A 1 4 ? 3.661 9.041 10.011 1.00 0.00 ? 4 DA A "O3'" 6 +ATOM 2941 C "C2'" . DA A 1 4 ? 4.105 6.758 10.772 1.00 0.00 ? 4 DA A "C2'" 6 +ATOM 2942 C "C1'" . DA A 1 4 ? 3.392 6.077 9.607 1.00 0.00 ? 4 DA A "C1'" 6 +ATOM 2943 N N9 . DA A 1 4 ? 3.262 4.620 9.819 1.00 0.00 ? 4 DA A N9 6 +ATOM 2944 C C8 . DA A 1 4 ? 4.241 3.701 10.122 1.00 0.00 ? 4 DA A C8 6 +ATOM 2945 N N7 . DA A 1 4 ? 3.828 2.466 10.171 1.00 0.00 ? 4 DA A N7 6 +ATOM 2946 C C5 . DA A 1 4 ? 2.463 2.581 9.897 1.00 0.00 ? 4 DA A C5 6 +ATOM 2947 C C6 . DA A 1 4 ? 1.390 1.671 9.797 1.00 0.00 ? 4 DA A C6 6 +ATOM 2948 N N6 . DA A 1 4 ? 1.513 0.369 9.947 1.00 0.00 ? 4 DA A N6 6 +ATOM 2949 N N1 . DA A 1 4 ? 0.149 2.093 9.531 1.00 0.00 ? 4 DA A N1 6 +ATOM 2950 C C2 . DA A 1 4 ? -0.049 3.396 9.367 1.00 0.00 ? 4 DA A C2 6 +ATOM 2951 N N3 . DA A 1 4 ? 0.859 4.364 9.441 1.00 0.00 ? 4 DA A N3 6 +ATOM 2952 C C4 . DA A 1 4 ? 2.108 3.890 9.705 1.00 0.00 ? 4 DA A C4 6 +ATOM 2953 H "H5'" . DA A 1 4 ? 6.568 7.045 7.364 1.00 0.00 ? 4 DA A "H5'" 6 +ATOM 2954 H "H5''" . DA A 1 4 ? 6.974 8.279 8.568 1.00 0.00 ? 4 DA A "H5''" 6 +ATOM 2955 H "H4'" . DA A 1 4 ? 4.590 8.217 7.956 1.00 0.00 ? 4 DA A "H4'" 6 +ATOM 2956 H "H3'" . DA A 1 4 ? 5.536 8.396 10.605 1.00 0.00 ? 4 DA A "H3'" 6 +ATOM 2957 H "H2'" . DA A 1 4 ? 4.957 6.178 11.125 1.00 0.00 ? 4 DA A "H2'" 6 +ATOM 2958 H "H2''" . DA A 1 4 ? 3.429 6.963 11.602 1.00 0.00 ? 4 DA A "H2''" 6 +ATOM 2959 H "H1'" . DA A 1 4 ? 2.433 6.567 9.411 1.00 0.00 ? 4 DA A "H1'" 6 +ATOM 2960 H H8 . DA A 1 4 ? 5.272 3.955 10.316 1.00 0.00 ? 4 DA A H8 6 +ATOM 2961 H H61 . DA A 1 4 ? 0.675 -0.193 9.909 1.00 0.00 ? 4 DA A H61 6 +ATOM 2962 H H62 . DA A 1 4 ? 2.419 -0.018 10.147 1.00 0.00 ? 4 DA A H62 6 +ATOM 2963 H H2 . DA A 1 4 ? -1.059 3.708 9.157 1.00 0.00 ? 4 DA A H2 6 +ATOM 2964 P P . DT A 1 5 ? 3.147 9.851 11.299 1.00 0.00 ? 5 DT A P 6 +ATOM 2965 O OP1 . DT A 1 5 ? 3.042 11.281 10.942 1.00 0.00 ? 5 DT A OP1 6 +ATOM 2966 O OP2 . DT A 1 5 ? 3.952 9.437 12.469 1.00 0.00 ? 5 DT A OP2 6 +ATOM 2967 O "O5'" . DT A 1 5 ? 1.667 9.259 11.467 1.00 0.00 ? 5 DT A "O5'" 6 +ATOM 2968 C "C5'" . DT A 1 5 ? 0.999 9.266 12.715 1.00 0.00 ? 5 DT A "C5'" 6 +ATOM 2969 C "C4'" . DT A 1 5 ? -0.376 8.587 12.580 1.00 0.00 ? 5 DT A "C4'" 6 +ATOM 2970 O "O4'" . DT A 1 5 ? -0.199 7.251 12.106 1.00 0.00 ? 5 DT A "O4'" 6 +ATOM 2971 C "C3'" . DT A 1 5 ? -1.091 8.493 13.945 1.00 0.00 ? 5 DT A "C3'" 6 +ATOM 2972 O "O3'" . DT A 1 5 ? -2.493 8.615 13.792 1.00 0.00 ? 5 DT A "O3'" 6 +ATOM 2973 C "C2'" . DT A 1 5 ? -0.768 7.055 14.328 1.00 0.00 ? 5 DT A "C2'" 6 +ATOM 2974 C "C1'" . DT A 1 5 ? -0.883 6.377 12.970 1.00 0.00 ? 5 DT A "C1'" 6 +ATOM 2975 N N1 . DT A 1 5 ? -0.230 5.038 12.966 1.00 0.00 ? 5 DT A N1 6 +ATOM 2976 C C2 . DT A 1 5 ? -1.059 3.952 12.702 1.00 0.00 ? 5 DT A C2 6 +ATOM 2977 O O2 . DT A 1 5 ? -2.262 4.031 12.512 1.00 0.00 ? 5 DT A O2 6 +ATOM 2978 N N3 . DT A 1 5 ? -0.479 2.718 12.694 1.00 0.00 ? 5 DT A N3 6 +ATOM 2979 C C4 . DT A 1 5 ? 0.835 2.439 12.944 1.00 0.00 ? 5 DT A C4 6 +ATOM 2980 O O4 . DT A 1 5 ? 1.173 1.263 12.960 1.00 0.00 ? 5 DT A O4 6 +ATOM 2981 C C5 . DT A 1 5 ? 1.679 3.606 13.202 1.00 0.00 ? 5 DT A C5 6 +ATOM 2982 C C7 . DT A 1 5 ? 3.175 3.457 13.487 1.00 0.00 ? 5 DT A C7 6 +ATOM 2983 C C6 . DT A 1 5 ? 1.125 4.851 13.222 1.00 0.00 ? 5 DT A C6 6 +ATOM 2984 H "H5'" . DT A 1 5 ? 0.857 10.295 13.054 1.00 0.00 ? 5 DT A "H5'" 6 +ATOM 2985 H "H5''" . DT A 1 5 ? 1.591 8.726 13.457 1.00 0.00 ? 5 DT A "H5''" 6 +ATOM 2986 H "H4'" . DT A 1 5 ? -0.982 9.157 11.873 1.00 0.00 ? 5 DT A "H4'" 6 +ATOM 2987 H "H3'" . DT A 1 5 ? -0.661 9.176 14.683 1.00 0.00 ? 5 DT A "H3'" 6 +ATOM 2988 H "H2'" . DT A 1 5 ? 0.271 7.059 14.654 1.00 0.00 ? 5 DT A "H2'" 6 +ATOM 2989 H "H2''" . DT A 1 5 ? -1.415 6.587 15.091 1.00 0.00 ? 5 DT A "H2''" 6 +ATOM 2990 H "H1'" . DT A 1 5 ? -1.942 6.371 12.665 1.00 0.00 ? 5 DT A "H1'" 6 +ATOM 2991 H H3 . DT A 1 5 ? -1.117 1.943 12.577 1.00 0.00 ? 5 DT A H3 6 +ATOM 2992 H H71 . DT A 1 5 ? 3.355 3.493 14.562 1.00 0.00 ? 5 DT A H71 6 +ATOM 2993 H H72 . DT A 1 5 ? 3.548 2.506 13.102 1.00 0.00 ? 5 DT A H72 6 +ATOM 2994 H H73 . DT A 1 5 ? 3.745 4.256 13.008 1.00 0.00 ? 5 DT A H73 6 +ATOM 2995 H H6 . DT A 1 5 ? 1.779 5.666 13.515 1.00 0.00 ? 5 DT A H6 6 +ATOM 2996 P P . DC A 1 6 ? -3.311 9.865 14.389 1.00 0.00 ? 6 DC A P 6 +ATOM 2997 O OP1 . DC A 1 6 ? -4.471 10.124 13.511 1.00 0.00 ? 6 DC A OP1 6 +ATOM 2998 O OP2 . DC A 1 6 ? -2.357 10.954 14.691 1.00 0.00 ? 6 DC A OP2 6 +ATOM 2999 O "O5'" . DC A 1 6 ? -3.859 9.279 15.785 1.00 0.00 ? 6 DC A "O5'" 6 +ATOM 3000 C "C5'" . DC A 1 6 ? -2.995 8.979 16.869 1.00 0.00 ? 6 DC A "C5'" 6 +ATOM 3001 C "C4'" . DC A 1 6 ? -3.348 7.603 17.456 1.00 0.00 ? 6 DC A "C4'" 6 +ATOM 3002 O "O4'" . DC A 1 6 ? -3.147 6.588 16.462 1.00 0.00 ? 6 DC A "O4'" 6 +ATOM 3003 C "C3'" . DC A 1 6 ? -2.450 7.255 18.670 1.00 0.00 ? 6 DC A "C3'" 6 +ATOM 3004 O "O3'" . DC A 1 6 ? -3.182 6.670 19.723 1.00 0.00 ? 6 DC A "O3'" 6 +ATOM 3005 C "C2'" . DC A 1 6 ? -1.515 6.237 18.042 1.00 0.00 ? 6 DC A "C2'" 6 +ATOM 3006 C "C1'" . DC A 1 6 ? -2.481 5.524 17.091 1.00 0.00 ? 6 DC A "C1'" 6 +ATOM 3007 N N1 . DC A 1 6 ? -1.817 4.456 16.301 1.00 0.00 ? 6 DC A N1 6 +ATOM 3008 C C2 . DC A 1 6 ? -2.304 3.141 16.385 1.00 0.00 ? 6 DC A C2 6 +ATOM 3009 O O2 . DC A 1 6 ? -3.497 2.917 16.545 1.00 0.00 ? 6 DC A O2 6 +ATOM 3010 N N3 . DC A 1 6 ? -1.455 2.072 16.306 1.00 0.00 ? 6 DC A N3 6 +ATOM 3011 C C4 . DC A 1 6 ? -0.155 2.309 16.202 1.00 0.00 ? 6 DC A C4 6 +ATOM 3012 N N4 . DC A 1 6 ? 0.639 1.280 16.124 1.00 0.00 ? 6 DC A N4 6 +ATOM 3013 C C5 . DC A 1 6 ? 0.369 3.626 16.099 1.00 0.00 ? 6 DC A C5 6 +ATOM 3014 C C6 . DC A 1 6 ? -0.486 4.627 16.116 1.00 0.00 ? 6 DC A C6 6 +ATOM 3015 H "H5'" . DC A 1 6 ? -3.132 9.747 17.633 1.00 0.00 ? 6 DC A "H5'" 6 +ATOM 3016 H "H5''" . DC A 1 6 ? -1.942 8.969 16.585 1.00 0.00 ? 6 DC A "H5''" 6 +ATOM 3017 H "H4'" . DC A 1 6 ? -4.396 7.611 17.763 1.00 0.00 ? 6 DC A "H4'" 6 +ATOM 3018 H "H3'" . DC A 1 6 ? -1.879 8.127 18.996 1.00 0.00 ? 6 DC A "H3'" 6 +ATOM 3019 H "H2'" . DC A 1 6 ? -0.775 6.855 17.549 1.00 0.00 ? 6 DC A "H2'" 6 +ATOM 3020 H "H2''" . DC A 1 6 ? -0.955 5.524 18.656 1.00 0.00 ? 6 DC A "H2''" 6 +ATOM 3021 H "H1'" . DC A 1 6 ? -3.264 5.089 17.621 1.00 0.00 ? 6 DC A "H1'" 6 +ATOM 3022 H H41 . DC A 1 6 ? 0.197 0.379 16.209 1.00 0.00 ? 6 DC A H41 6 +ATOM 3023 H H42 . DC A 1 6 ? 1.624 1.404 15.992 1.00 0.00 ? 6 DC A H42 6 +ATOM 3024 H H5 . DC A 1 6 ? 1.328 4.073 16.179 1.00 0.00 ? 6 DC A H5 6 +ATOM 3025 H H6 . DC A 1 6 ? 0.003 5.578 16.100 1.00 0.00 ? 6 DC A H6 6 +ATOM 3026 P P . DC A 1 7 ? -2.588 6.650 21.214 1.00 0.00 ? 7 DC A P 6 +ATOM 3027 O OP1 . DC A 1 7 ? -2.953 7.922 21.870 1.00 0.00 ? 7 DC A OP1 6 +ATOM 3028 O OP2 . DC A 1 7 ? -1.172 6.236 21.127 1.00 0.00 ? 7 DC A OP2 6 +ATOM 3029 O "O5'" . DC A 1 7 ? -3.410 5.449 21.891 1.00 0.00 ? 7 DC A "O5'" 6 +ATOM 3030 C "C5'" . DC A 1 7 ? -4.784 5.559 22.220 1.00 0.00 ? 7 DC A "C5'" 6 +ATOM 3031 C "C4'" . DC A 1 7 ? -5.461 4.196 22.500 1.00 0.00 ? 7 DC A "C4'" 6 +ATOM 3032 O "O4'" . DC A 1 7 ? -5.599 3.426 21.282 1.00 0.00 ? 7 DC A "O4'" 6 +ATOM 3033 C "C3'" . DC A 1 7 ? -4.671 3.292 23.470 1.00 0.00 ? 7 DC A "C3'" 6 +ATOM 3034 O "O3'" . DC A 1 7 ? -5.527 2.366 24.106 1.00 0.00 ? 7 DC A "O3'" 6 +ATOM 3035 C "C2'" . DC A 1 7 ? -3.809 2.519 22.480 1.00 0.00 ? 7 DC A "C2'" 6 +ATOM 3036 C "C1'" . DC A 1 7 ? -4.784 2.246 21.332 1.00 0.00 ? 7 DC A "C1'" 6 +ATOM 3037 N N1 . DC A 1 7 ? -3.961 2.046 20.106 1.00 0.00 ? 7 DC A N1 6 +ATOM 3038 C C2 . DC A 1 7 ? -3.653 0.708 19.858 1.00 0.00 ? 7 DC A C2 6 +ATOM 3039 O O2 . DC A 1 7 ? -4.514 -0.160 19.930 1.00 0.00 ? 7 DC A O2 6 +ATOM 3040 N N3 . DC A 1 7 ? -2.382 0.321 19.581 1.00 0.00 ? 7 DC A N3 6 +ATOM 3041 C C4 . DC A 1 7 ? -1.457 1.254 19.478 1.00 0.00 ? 7 DC A C4 6 +ATOM 3042 N N4 . DC A 1 7 ? -0.226 0.850 19.362 1.00 0.00 ? 7 DC A N4 6 +ATOM 3043 C C5 . DC A 1 7 ? -1.742 2.639 19.584 1.00 0.00 ? 7 DC A C5 6 +ATOM 3044 C C6 . DC A 1 7 ? -3.019 3.005 19.811 1.00 0.00 ? 7 DC A C6 6 +ATOM 3045 H "H5'" . DC A 1 7 ? -5.336 6.041 21.409 1.00 0.00 ? 7 DC A "H5'" 6 +ATOM 3046 H "H5''" . DC A 1 7 ? -4.870 6.185 23.110 1.00 0.00 ? 7 DC A "H5''" 6 +ATOM 3047 H "H4'" . DC A 1 7 ? -6.427 4.502 22.943 1.00 0.00 ? 7 DC A "H4'" 6 +ATOM 3048 H "H3'" . DC A 1 7 ? -4.049 3.859 24.173 1.00 0.00 ? 7 DC A "H3'" 6 +ATOM 3049 H "H2'" . DC A 1 7 ? -3.007 3.189 22.220 1.00 0.00 ? 7 DC A "H2'" 6 +ATOM 3050 H "H2''" . DC A 1 7 ? -3.291 1.625 22.793 1.00 0.00 ? 7 DC A "H2''" 6 +ATOM 3051 H "H1'" . DC A 1 7 ? -5.372 1.329 21.578 1.00 0.00 ? 7 DC A "H1'" 6 +ATOM 3052 H H41 . DC A 1 7 ? -0.103 -0.148 19.364 1.00 0.00 ? 7 DC A H41 6 +ATOM 3053 H H42 . DC A 1 7 ? 0.518 1.503 19.556 1.00 0.00 ? 7 DC A H42 6 +ATOM 3054 H H5 . DC A 1 7 ? -0.990 3.386 19.690 1.00 0.00 ? 7 DC A H5 6 +ATOM 3055 H H6 . DC A 1 7 ? -3.215 4.068 19.912 1.00 0.00 ? 7 DC A H6 6 +ATOM 3056 P P . DU A 1 8 ? -6.066 2.651 25.584 1.00 0.00 ? 8 DU A P 6 +ATOM 3057 O OP1 . DU A 1 8 ? -7.151 1.697 25.895 1.00 0.00 ? 8 DU A OP1 6 +ATOM 3058 O OP2 . DU A 1 8 ? -6.269 4.106 25.737 1.00 0.00 ? 8 DU A OP2 6 +ATOM 3059 O "O5'" . DU A 1 8 ? -4.762 2.210 26.408 1.00 0.00 ? 8 DU A "O5'" 6 +ATOM 3060 C "C5'" . DU A 1 8 ? -4.480 0.837 26.627 1.00 0.00 ? 8 DU A "C5'" 6 +ATOM 3061 C "C4'" . DU A 1 8 ? -2.988 0.620 26.921 1.00 0.00 ? 8 DU A "C4'" 6 +ATOM 3062 O "O4'" . DU A 1 8 ? -2.231 0.682 25.704 1.00 0.00 ? 8 DU A "O4'" 6 +ATOM 3063 C "C3'" . DU A 1 8 ? -2.364 1.660 27.877 1.00 0.00 ? 8 DU A "C3'" 6 +ATOM 3064 O "O3'" . DU A 1 8 ? -1.526 1.001 28.839 1.00 0.00 ? 8 DU A "O3'" 6 +ATOM 3065 C "C2'" . DU A 1 8 ? -1.549 2.527 26.906 1.00 0.00 ? 8 DU A "C2'" 6 +ATOM 3066 C "C1'" . DU A 1 8 ? -1.070 1.459 25.927 1.00 0.00 ? 8 DU A "C1'" 6 +ATOM 3067 N N1 . DU A 1 8 ? -0.458 1.873 24.654 1.00 0.00 ? 8 DU A N1 6 +ATOM 3068 C C2 . DU A 1 8 ? 0.262 0.879 23.990 1.00 0.00 ? 8 DU A C2 6 +ATOM 3069 O O2 . DU A 1 8 ? 0.520 -0.218 24.459 1.00 0.00 ? 8 DU A O2 6 +ATOM 3070 N N3 . DU A 1 8 ? 0.758 1.197 22.752 1.00 0.00 ? 8 DU A N3 6 +ATOM 3071 C C4 . DU A 1 8 ? 0.641 2.417 22.137 1.00 0.00 ? 8 DU A C4 6 +ATOM 3072 O O4 . DU A 1 8 ? 1.176 2.576 21.046 1.00 0.00 ? 8 DU A O4 6 +ATOM 3073 C C5 . DU A 1 8 ? -0.108 3.411 22.882 1.00 0.00 ? 8 DU A C5 6 +ATOM 3074 C C6 . DU A 1 8 ? -0.641 3.130 24.099 1.00 0.00 ? 8 DU A C6 6 +ATOM 3075 H "H5'" . DU A 1 8 ? -4.732 0.229 25.754 1.00 0.00 ? 8 DU A "H5'" 6 +ATOM 3076 H "H5''" . DU A 1 8 ? -5.067 0.486 27.477 1.00 0.00 ? 8 DU A "H5''" 6 +ATOM 3077 H "H4'" . DU A 1 8 ? -2.851 -0.389 27.339 1.00 0.00 ? 8 DU A "H4'" 6 +ATOM 3078 H "H3'" . DU A 1 8 ? -3.171 2.232 28.360 1.00 0.00 ? 8 DU A "H3'" 6 +ATOM 3079 H "H2'" . DU A 1 8 ? -2.250 3.225 26.439 1.00 0.00 ? 8 DU A "H2'" 6 +ATOM 3080 H "H2''" . DU A 1 8 ? -0.722 3.058 27.396 1.00 0.00 ? 8 DU A "H2''" 6 +ATOM 3081 H "H1'" . DU A 1 8 ? -0.392 0.798 26.490 1.00 0.00 ? 8 DU A "H1'" 6 +ATOM 3082 H H3 . DU A 1 8 ? 1.223 0.456 22.248 1.00 0.00 ? 8 DU A H3 6 +ATOM 3083 H H5 . DU A 1 8 ? -0.240 4.388 22.445 1.00 0.00 ? 8 DU A H5 6 +ATOM 3084 H H6 . DU A 1 8 ? -1.193 3.923 24.579 1.00 0.00 ? 8 DU A H6 6 +ATOM 3085 P P . DT A 1 9 ? -1.207 1.924 30.135 1.00 0.00 ? 9 DT A P 6 +ATOM 3086 O OP1 . DT A 1 9 ? -2.390 1.837 31.020 1.00 0.00 ? 9 DT A OP1 6 +ATOM 3087 O OP2 . DT A 1 9 ? -0.733 3.259 29.709 1.00 0.00 ? 9 DT A OP2 6 +ATOM 3088 O "O5'" . DT A 1 9 ? 0.003 1.141 30.864 1.00 0.00 ? 9 DT A "O5'" 6 +ATOM 3089 C "C5'" . DT A 1 9 ? 1.367 1.265 30.479 1.00 0.00 ? 9 DT A "C5'" 6 +ATOM 3090 C "C4'" . DT A 1 9 ? 1.684 0.820 29.035 1.00 0.00 ? 9 DT A "C4'" 6 +ATOM 3091 O "O4'" . DT A 1 9 ? 1.295 1.847 28.134 1.00 0.00 ? 9 DT A "O4'" 6 +ATOM 3092 C "C3'" . DT A 1 9 ? 3.198 0.596 28.819 1.00 0.00 ? 9 DT A "C3'" 6 +ATOM 3093 O "O3'" . DT A 1 9 ? 3.506 -0.751 28.504 1.00 0.00 ? 9 DT A "O3'" 6 +ATOM 3094 C "C2'" . DT A 1 9 ? 3.547 1.420 27.574 1.00 0.00 ? 9 DT A "C2'" 6 +ATOM 3095 C "C1'" . DT A 1 9 ? 2.214 1.954 27.075 1.00 0.00 ? 9 DT A "C1'" 6 +ATOM 3096 N N1 . DT A 1 9 ? 2.341 3.362 26.582 1.00 0.00 ? 9 DT A N1 6 +ATOM 3097 C C2 . DT A 1 9 ? 2.272 4.380 27.541 1.00 0.00 ? 9 DT A C2 6 +ATOM 3098 O O2 . DT A 1 9 ? 2.381 4.225 28.747 1.00 0.00 ? 9 DT A O2 6 +ATOM 3099 N N3 . DT A 1 9 ? 2.174 5.664 27.075 1.00 0.00 ? 9 DT A N3 6 +ATOM 3100 C C4 . DT A 1 9 ? 2.329 6.057 25.771 1.00 0.00 ? 9 DT A C4 6 +ATOM 3101 O O4 . DT A 1 9 ? 2.238 7.250 25.519 1.00 0.00 ? 9 DT A O4 6 +ATOM 3102 C C5 . DT A 1 9 ? 2.649 4.977 24.836 1.00 0.00 ? 9 DT A C5 6 +ATOM 3103 C C7 . DT A 1 9 ? 3.021 5.279 23.382 1.00 0.00 ? 9 DT A C7 6 +ATOM 3104 C C6 . DT A 1 9 ? 2.649 3.685 25.264 1.00 0.00 ? 9 DT A C6 6 +ATOM 3105 H "H5'" . DT A 1 9 ? 1.925 0.622 31.160 1.00 0.00 ? 9 DT A "H5'" 6 +ATOM 3106 H "H5''" . DT A 1 9 ? 1.711 2.290 30.638 1.00 0.00 ? 9 DT A "H5''" 6 +ATOM 3107 H "H4'" . DT A 1 9 ? 1.124 -0.094 28.835 1.00 0.00 ? 9 DT A "H4'" 6 +ATOM 3108 H "H3'" . DT A 1 9 ? 3.794 0.952 29.664 1.00 0.00 ? 9 DT A "H3'" 6 +ATOM 3109 H "H2'" . DT A 1 9 ? 4.191 2.254 27.844 1.00 0.00 ? 9 DT A "H2'" 6 +ATOM 3110 H "H2''" . DT A 1 9 ? 4.053 0.846 26.802 1.00 0.00 ? 9 DT A "H2''" 6 +ATOM 3111 H "H1'" . DT A 1 9 ? 1.817 1.251 26.340 1.00 0.00 ? 9 DT A "H1'" 6 +ATOM 3112 H H3 . DT A 1 9 ? 2.042 6.377 27.762 1.00 0.00 ? 9 DT A H3 6 +ATOM 3113 H H71 . DT A 1 9 ? 2.871 4.419 22.727 1.00 0.00 ? 9 DT A H71 6 +ATOM 3114 H H72 . DT A 1 9 ? 2.402 6.092 23.001 1.00 0.00 ? 9 DT A H72 6 +ATOM 3115 H H73 . DT A 1 9 ? 4.067 5.584 23.324 1.00 0.00 ? 9 DT A H73 6 +ATOM 3116 H H6 . DT A 1 9 ? 2.965 2.957 24.532 1.00 0.00 ? 9 DT A H6 6 +ATOM 3117 P P . DT A 1 10 B 3.455 -1.902 29.620 1.00 0.00 ? 1 DT A P 6 +ATOM 3118 O OP1 . DT A 1 10 B 2.057 -2.001 30.099 1.00 0.00 ? 1 DT A OP1 6 +ATOM 3119 O OP2 . DT A 1 10 B 4.557 -1.653 30.573 1.00 0.00 ? 1 DT A OP2 6 +ATOM 3120 O "O5'" . DT A 1 10 B 3.759 -3.249 28.801 1.00 0.00 ? 1 DT A "O5'" 6 +ATOM 3121 C "C5'" . DT A 1 10 B 5.015 -3.534 28.207 1.00 0.00 ? 1 DT A "C5'" 6 +ATOM 3122 C "C4'" . DT A 1 10 B 4.882 -4.820 27.366 1.00 0.00 ? 1 DT A "C4'" 6 +ATOM 3123 O "O4'" . DT A 1 10 B 3.879 -4.602 26.378 1.00 0.00 ? 1 DT A "O4'" 6 +ATOM 3124 C "C3'" . DT A 1 10 B 6.187 -5.170 26.614 1.00 0.00 ? 1 DT A "C3'" 6 +ATOM 3125 O "O3'" . DT A 1 10 B 6.363 -6.533 26.280 1.00 0.00 ? 1 DT A "O3'" 6 +ATOM 3126 C "C2'" . DT A 1 10 B 5.941 -4.474 25.284 1.00 0.00 ? 1 DT A "C2'" 6 +ATOM 3127 C "C1'" . DT A 1 10 B 4.441 -4.736 25.096 1.00 0.00 ? 1 DT A "C1'" 6 +ATOM 3128 N N1 . DT A 1 10 B 3.780 -3.750 24.202 1.00 0.00 ? 1 DT A N1 6 +ATOM 3129 C C2 . DT A 1 10 B 3.006 -4.235 23.152 1.00 0.00 ? 1 DT A C2 6 +ATOM 3130 O O2 . DT A 1 10 B 2.800 -5.422 22.946 1.00 0.00 ? 1 DT A O2 6 +ATOM 3131 N N3 . DT A 1 10 B 2.440 -3.305 22.316 1.00 0.00 ? 1 DT A N3 6 +ATOM 3132 C C4 . DT A 1 10 B 2.548 -1.937 22.444 1.00 0.00 ? 1 DT A C4 6 +ATOM 3133 O O4 . DT A 1 10 B 1.945 -1.216 21.659 1.00 0.00 ? 1 DT A O4 6 +ATOM 3134 C C5 . DT A 1 10 B 3.402 -1.484 23.544 1.00 0.00 ? 1 DT A C5 6 +ATOM 3135 C C7 . DT A 1 10 B 3.714 -0.003 23.762 1.00 0.00 ? 1 DT A C7 6 +ATOM 3136 C C6 . DT A 1 10 B 3.957 -2.395 24.385 1.00 0.00 ? 1 DT A C6 6 +ATOM 3137 H "H5'" . DT A 1 10 B 5.767 -3.683 28.985 1.00 0.00 ? 1 DT A "H5'" 6 +ATOM 3138 H "H5''" . DT A 1 10 B 5.324 -2.707 27.566 1.00 0.00 ? 1 DT A "H5''" 6 +ATOM 3139 H "H4'" . DT A 1 10 B 4.581 -5.624 28.036 1.00 0.00 ? 1 DT A "H4'" 6 +ATOM 3140 H "H3'" . DT A 1 10 B 7.078 -4.776 27.110 1.00 0.00 ? 1 DT A "H3'" 6 +ATOM 3141 H "H2'" . DT A 1 10 B 6.202 -3.427 25.402 1.00 0.00 ? 1 DT A "H2'" 6 +ATOM 3142 H "H2''" . DT A 1 10 B 6.525 -4.890 24.464 1.00 0.00 ? 1 DT A "H2''" 6 +ATOM 3143 H "H1'" . DT A 1 10 B 4.311 -5.773 24.779 1.00 0.00 ? 1 DT A "H1'" 6 +ATOM 3144 H H3 . DT A 1 10 B 1.874 -3.684 21.565 1.00 0.00 ? 1 DT A H3 6 +ATOM 3145 H H71 . DT A 1 10 B 3.488 0.581 22.868 1.00 0.00 ? 1 DT A H71 6 +ATOM 3146 H H72 . DT A 1 10 B 3.106 0.366 24.587 1.00 0.00 ? 1 DT A H72 6 +ATOM 3147 H H73 . DT A 1 10 B 4.768 0.141 24.005 1.00 0.00 ? 1 DT A H73 6 +ATOM 3148 H H6 . DT A 1 10 B 4.548 -2.048 25.217 1.00 0.00 ? 1 DT A H6 6 +ATOM 3149 P P . DT A 1 11 B 6.654 -7.658 27.385 1.00 0.00 ? 2 DT A P 6 +ATOM 3150 O OP1 . DT A 1 11 B 7.345 -7.015 28.522 1.00 0.00 ? 2 DT A OP1 6 +ATOM 3151 O OP2 . DT A 1 11 B 7.265 -8.820 26.705 1.00 0.00 ? 2 DT A OP2 6 +ATOM 3152 O "O5'" . DT A 1 11 B 5.168 -8.063 27.834 1.00 0.00 ? 2 DT A "O5'" 6 +ATOM 3153 C "C5'" . DT A 1 11 B 4.230 -8.566 26.895 1.00 0.00 ? 2 DT A "C5'" 6 +ATOM 3154 C "C4'" . DT A 1 11 B 2.810 -8.547 27.484 1.00 0.00 ? 2 DT A "C4'" 6 +ATOM 3155 O "O4'" . DT A 1 11 B 2.439 -7.210 27.815 1.00 0.00 ? 2 DT A "O4'" 6 +ATOM 3156 C "C3'" . DT A 1 11 B 1.766 -9.057 26.473 1.00 0.00 ? 2 DT A "C3'" 6 +ATOM 3157 O "O3'" . DT A 1 11 B 0.831 -9.936 27.068 1.00 0.00 ? 2 DT A "O3'" 6 +ATOM 3158 C "C2'" . DT A 1 11 B 1.077 -7.764 26.076 1.00 0.00 ? 2 DT A "C2'" 6 +ATOM 3159 C "C1'" . DT A 1 11 B 1.121 -6.967 27.375 1.00 0.00 ? 2 DT A "C1'" 6 +ATOM 3160 N N1 . DT A 1 11 B 0.880 -5.501 27.243 1.00 0.00 ? 2 DT A N1 6 +ATOM 3161 C C2 . DT A 1 11 B 0.977 -4.761 28.425 1.00 0.00 ? 2 DT A C2 6 +ATOM 3162 O O2 . DT A 1 11 B 1.268 -5.246 29.510 1.00 0.00 ? 2 DT A O2 6 +ATOM 3163 N N3 . DT A 1 11 B 0.639 -3.434 28.357 1.00 0.00 ? 2 DT A N3 6 +ATOM 3164 C C4 . DT A 1 11 B 0.154 -2.780 27.251 1.00 0.00 ? 2 DT A C4 6 +ATOM 3165 O O4 . DT A 1 11 B -0.174 -1.606 27.360 1.00 0.00 ? 2 DT A O4 6 +ATOM 3166 C C5 . DT A 1 11 B 0.064 -3.598 26.038 1.00 0.00 ? 2 DT A C5 6 +ATOM 3167 C C7 . DT A 1 11 B -0.539 -3.045 24.743 1.00 0.00 ? 2 DT A C7 6 +ATOM 3168 C C6 . DT A 1 11 B 0.452 -4.902 26.068 1.00 0.00 ? 2 DT A C6 6 +ATOM 3169 H "H5'" . DT A 1 11 B 4.500 -9.590 26.629 1.00 0.00 ? 2 DT A "H5'" 6 +ATOM 3170 H "H5''" . DT A 1 11 B 4.222 -7.959 25.987 1.00 0.00 ? 2 DT A "H5''" 6 +ATOM 3171 H "H4'" . DT A 1 11 B 2.792 -9.164 28.384 1.00 0.00 ? 2 DT A "H4'" 6 +ATOM 3172 H "H3'" . DT A 1 11 B 2.248 -9.495 25.597 1.00 0.00 ? 2 DT A "H3'" 6 +ATOM 3173 H "H2'" . DT A 1 11 B 1.674 -7.278 25.306 1.00 0.00 ? 2 DT A "H2'" 6 +ATOM 3174 H "H2''" . DT A 1 11 B 0.055 -7.963 25.751 1.00 0.00 ? 2 DT A "H2''" 6 +ATOM 3175 H "H1'" . DT A 1 11 B 0.412 -7.402 28.086 1.00 0.00 ? 2 DT A "H1'" 6 +ATOM 3176 H H3 . DT A 1 11 B 0.960 -2.861 29.146 1.00 0.00 ? 2 DT A H3 6 +ATOM 3177 H H71 . DT A 1 11 B 0.245 -2.869 24.007 1.00 0.00 ? 2 DT A H71 6 +ATOM 3178 H H72 . DT A 1 11 B -1.282 -3.725 24.319 1.00 0.00 ? 2 DT A H72 6 +ATOM 3179 H H73 . DT A 1 11 B -1.048 -2.097 24.932 1.00 0.00 ? 2 DT A H73 6 +ATOM 3180 H H6 . DT A 1 11 B 0.433 -5.441 25.132 1.00 0.00 ? 2 DT A H6 6 +ATOM 3181 P P . DG A 1 12 B -0.017 -10.981 26.181 1.00 0.00 ? 3 DG A P 6 +ATOM 3182 O OP1 . DG A 1 12 B -0.915 -11.719 27.093 1.00 0.00 ? 3 DG A OP1 6 +ATOM 3183 O OP2 . DG A 1 12 B 0.941 -11.726 25.336 1.00 0.00 ? 3 DG A OP2 6 +ATOM 3184 O "O5'" . DG A 1 12 B -0.933 -10.061 25.218 1.00 0.00 ? 3 DG A "O5'" 6 +ATOM 3185 C "C5'" . DG A 1 12 B -0.790 -10.072 23.802 1.00 0.00 ? 3 DG A "C5'" 6 +ATOM 3186 C "C4'" . DG A 1 12 B -1.787 -9.096 23.139 1.00 0.00 ? 3 DG A "C4'" 6 +ATOM 3187 O "O4'" . DG A 1 12 B -1.259 -7.763 23.041 1.00 0.00 ? 3 DG A "O4'" 6 +ATOM 3188 C "C3'" . DG A 1 12 B -2.175 -9.512 21.698 1.00 0.00 ? 3 DG A "C3'" 6 +ATOM 3189 O "O3'" . DG A 1 12 B -3.580 -9.405 21.546 1.00 0.00 ? 3 DG A "O3'" 6 +ATOM 3190 C "C2'" . DG A 1 12 B -1.455 -8.452 20.872 1.00 0.00 ? 3 DG A "C2'" 6 +ATOM 3191 C "C1'" . DG A 1 12 B -1.650 -7.251 21.778 1.00 0.00 ? 3 DG A "C1'" 6 +ATOM 3192 N N9 . DG A 1 12 B -0.861 -6.085 21.326 1.00 0.00 ? 3 DG A N9 6 +ATOM 3193 C C8 . DG A 1 12 B 0.462 -6.007 20.970 1.00 0.00 ? 3 DG A C8 6 +ATOM 3194 N N7 . DG A 1 12 B 0.836 -4.833 20.534 1.00 0.00 ? 3 DG A N7 6 +ATOM 3195 C C5 . DG A 1 12 B -0.347 -4.085 20.557 1.00 0.00 ? 3 DG A C5 6 +ATOM 3196 C C6 . DG A 1 12 B -0.660 -2.761 20.097 1.00 0.00 ? 3 DG A C6 6 +ATOM 3197 O O6 . DG A 1 12 B 0.071 -1.946 19.554 1.00 0.00 ? 3 DG A O6 6 +ATOM 3198 N N1 . DG A 1 12 B -1.977 -2.390 20.283 1.00 0.00 ? 3 DG A N1 6 +ATOM 3199 C C2 . DG A 1 12 B -2.923 -3.236 20.753 1.00 0.00 ? 3 DG A C2 6 +ATOM 3200 N N2 . DG A 1 12 B -4.162 -2.878 20.579 1.00 0.00 ? 3 DG A N2 6 +ATOM 3201 N N3 . DG A 1 12 B -2.692 -4.491 21.117 1.00 0.00 ? 3 DG A N3 6 +ATOM 3202 C C4 . DG A 1 12 B -1.384 -4.853 21.026 1.00 0.00 ? 3 DG A C4 6 +ATOM 3203 H "H5'" . DG A 1 12 B -1.005 -11.086 23.461 1.00 0.00 ? 3 DG A "H5'" 6 +ATOM 3204 H "H5''" . DG A 1 12 B 0.229 -9.813 23.505 1.00 0.00 ? 3 DG A "H5''" 6 +ATOM 3205 H "H4'" . DG A 1 12 B -2.688 -9.086 23.757 1.00 0.00 ? 3 DG A "H4'" 6 +ATOM 3206 H "H3'" . DG A 1 12 B -1.834 -10.519 21.445 1.00 0.00 ? 3 DG A "H3'" 6 +ATOM 3207 H "H2'" . DG A 1 12 B -0.401 -8.709 20.800 1.00 0.00 ? 3 DG A "H2'" 6 +ATOM 3208 H "H2''" . DG A 1 12 B -1.867 -8.299 19.877 1.00 0.00 ? 3 DG A "H2''" 6 +ATOM 3209 H "H1'" . DG A 1 12 B -2.709 -6.991 21.798 1.00 0.00 ? 3 DG A "H1'" 6 +ATOM 3210 H H8 . DG A 1 12 B 1.139 -6.847 21.015 1.00 0.00 ? 3 DG A H8 6 +ATOM 3211 H H1 . DG A 1 12 B -2.232 -1.461 19.973 1.00 0.00 ? 3 DG A H1 6 +ATOM 3212 H H21 . DG A 1 12 B -4.383 -1.978 20.179 1.00 0.00 ? 3 DG A H21 6 +ATOM 3213 H H22 . DG A 1 12 B -4.804 -3.655 20.598 1.00 0.00 ? 3 DG A H22 6 +ATOM 3214 P P . DG A 1 13 B -4.322 -9.745 20.161 1.00 0.00 ? 4 DG A P 6 +ATOM 3215 O OP1 . DG A 1 13 B -5.569 -10.468 20.487 1.00 0.00 ? 4 DG A OP1 6 +ATOM 3216 O OP2 . DG A 1 13 B -3.336 -10.356 19.245 1.00 0.00 ? 4 DG A OP2 6 +ATOM 3217 O "O5'" . DG A 1 13 B -4.716 -8.284 19.592 1.00 0.00 ? 4 DG A "O5'" 6 +ATOM 3218 C "C5'" . DG A 1 13 B -5.710 -7.491 20.227 1.00 0.00 ? 4 DG A "C5'" 6 +ATOM 3219 C "C4'" . DG A 1 13 B -6.166 -6.292 19.371 1.00 0.00 ? 4 DG A "C4'" 6 +ATOM 3220 O "O4'" . DG A 1 13 B -5.176 -5.264 19.304 1.00 0.00 ? 4 DG A "O4'" 6 +ATOM 3221 C "C3'" . DG A 1 13 B -6.518 -6.692 17.924 1.00 0.00 ? 4 DG A "C3'" 6 +ATOM 3222 O "O3'" . DG A 1 13 B -7.723 -6.064 17.529 1.00 0.00 ? 4 DG A "O3'" 6 +ATOM 3223 C "C2'" . DG A 1 13 B -5.328 -6.105 17.176 1.00 0.00 ? 4 DG A "C2'" 6 +ATOM 3224 C "C1'" . DG A 1 13 B -5.101 -4.818 17.960 1.00 0.00 ? 4 DG A "C1'" 6 +ATOM 3225 N N9 . DG A 1 13 B -3.772 -4.240 17.675 1.00 0.00 ? 4 DG A N9 6 +ATOM 3226 C C8 . DG A 1 13 B -2.567 -4.886 17.628 1.00 0.00 ? 4 DG A C8 6 +ATOM 3227 N N7 . DG A 1 13 B -1.558 -4.126 17.305 1.00 0.00 ? 4 DG A N7 6 +ATOM 3228 C C5 . DG A 1 13 B -2.145 -2.869 17.112 1.00 0.00 ? 4 DG A C5 6 +ATOM 3229 C C6 . DG A 1 13 B -1.598 -1.603 16.710 1.00 0.00 ? 4 DG A C6 6 +ATOM 3230 O O6 . DG A 1 13 B -0.447 -1.327 16.395 1.00 0.00 ? 4 DG A O6 6 +ATOM 3231 N N1 . DG A 1 13 B -2.519 -0.575 16.645 1.00 0.00 ? 4 DG A N1 6 +ATOM 3232 C C2 . DG A 1 13 B -3.837 -0.756 16.893 1.00 0.00 ? 4 DG A C2 6 +ATOM 3233 N N2 . DG A 1 13 B -4.599 0.291 16.736 1.00 0.00 ? 4 DG A N2 6 +ATOM 3234 N N3 . DG A 1 13 B -4.399 -1.916 17.222 1.00 0.00 ? 4 DG A N3 6 +ATOM 3235 C C4 . DG A 1 13 B -3.502 -2.938 17.327 1.00 0.00 ? 4 DG A C4 6 +ATOM 3236 H "H5'" . DG A 1 13 B -5.339 -7.129 21.188 1.00 0.00 ? 4 DG A "H5'" 6 +ATOM 3237 H "H5''" . DG A 1 13 B -6.600 -8.098 20.410 1.00 0.00 ? 4 DG A "H5''" 6 +ATOM 3238 H "H4'" . DG A 1 13 B -7.050 -5.874 19.857 1.00 0.00 ? 4 DG A "H4'" 6 +ATOM 3239 H "H3'" . DG A 1 13 B -6.587 -7.777 17.807 1.00 0.00 ? 4 DG A "H3'" 6 +ATOM 3240 H "H2'" . DG A 1 13 B -4.492 -6.792 17.284 1.00 0.00 ? 4 DG A "H2'" 6 +ATOM 3241 H "H2''" . DG A 1 13 B -5.504 -5.935 16.120 1.00 0.00 ? 4 DG A "H2''" 6 +ATOM 3242 H "H1'" . DG A 1 13 B -5.900 -4.104 17.748 1.00 0.00 ? 4 DG A "H1'" 6 +ATOM 3243 H H8 . DG A 1 13 B -2.470 -5.943 17.821 1.00 0.00 ? 4 DG A H8 6 +ATOM 3244 H H1 . DG A 1 13 B -2.170 0.358 16.456 1.00 0.00 ? 4 DG A H1 6 +ATOM 3245 H H21 . DG A 1 13 B -4.201 1.197 16.529 1.00 0.00 ? 4 DG A H21 6 +ATOM 3246 H H22 . DG A 1 13 B -5.574 0.138 16.913 1.00 0.00 ? 4 DG A H22 6 +ATOM 3247 P P . DA A 1 14 B -8.398 -6.351 16.098 1.00 0.00 ? 5 DA A P 6 +ATOM 3248 O OP1 . DA A 1 14 B -9.851 -6.526 16.311 1.00 0.00 ? 5 DA A OP1 6 +ATOM 3249 O OP2 . DA A 1 14 B -7.622 -7.404 15.410 1.00 0.00 ? 5 DA A OP2 6 +ATOM 3250 O "O5'" . DA A 1 14 B -8.166 -4.963 15.315 1.00 0.00 ? 5 DA A "O5'" 6 +ATOM 3251 C "C5'" . DA A 1 14 B -8.913 -3.806 15.650 1.00 0.00 ? 5 DA A "C5'" 6 +ATOM 3252 C "C4'" . DA A 1 14 B -8.624 -2.631 14.700 1.00 0.00 ? 5 DA A "C4'" 6 +ATOM 3253 O "O4'" . DA A 1 14 B -7.304 -2.127 14.879 1.00 0.00 ? 5 DA A "O4'" 6 +ATOM 3254 C "C3'" . DA A 1 14 B -8.793 -2.987 13.209 1.00 0.00 ? 5 DA A "C3'" 6 +ATOM 3255 O "O3'" . DA A 1 14 B -9.542 -1.981 12.554 1.00 0.00 ? 5 DA A "O3'" 6 +ATOM 3256 C "C2'" . DA A 1 14 B -7.340 -2.993 12.739 1.00 0.00 ? 5 DA A "C2'" 6 +ATOM 3257 C "C1'" . DA A 1 14 B -6.757 -1.877 13.601 1.00 0.00 ? 5 DA A "C1'" 6 +ATOM 3258 N N9 . DA A 1 14 B -5.287 -1.961 13.695 1.00 0.00 ? 5 DA A N9 6 +ATOM 3259 C C8 . DA A 1 14 B -4.501 -3.003 14.129 1.00 0.00 ? 5 DA A C8 6 +ATOM 3260 N N7 . DA A 1 14 B -3.220 -2.749 14.116 1.00 0.00 ? 5 DA A N7 6 +ATOM 3261 C C5 . DA A 1 14 B -3.160 -1.431 13.649 1.00 0.00 ? 5 DA A C5 6 +ATOM 3262 C C6 . DA A 1 14 B -2.126 -0.504 13.381 1.00 0.00 ? 5 DA A C6 6 +ATOM 3263 N N6 . DA A 1 14 B -0.842 -0.729 13.574 1.00 0.00 ? 5 DA A N6 6 +ATOM 3264 N N1 . DA A 1 14 B -2.400 0.714 12.902 1.00 0.00 ? 5 DA A N1 6 +ATOM 3265 C C2 . DA A 1 14 B -3.672 1.048 12.725 1.00 0.00 ? 5 DA A C2 6 +ATOM 3266 N N3 . DA A 1 14 B -4.740 0.291 12.940 1.00 0.00 ? 5 DA A N3 6 +ATOM 3267 C C4 . DA A 1 14 B -4.416 -0.947 13.402 1.00 0.00 ? 5 DA A C4 6 +ATOM 3268 H "H5'" . DA A 1 14 B -8.689 -3.498 16.674 1.00 0.00 ? 5 DA A "H5'" 6 +ATOM 3269 H "H5''" . DA A 1 14 B -9.981 -4.024 15.581 1.00 0.00 ? 5 DA A "H5''" 6 +ATOM 3270 H "H4'" . DA A 1 14 B -9.319 -1.830 14.959 1.00 0.00 ? 5 DA A "H4'" 6 +ATOM 3271 H "H3'" . DA A 1 14 B -9.267 -3.968 13.092 1.00 0.00 ? 5 DA A "H3'" 6 +ATOM 3272 H "H2'" . DA A 1 14 B -6.896 -3.959 12.980 1.00 0.00 ? 5 DA A "H2'" 6 +ATOM 3273 H "H2''" . DA A 1 14 B -7.234 -2.793 11.674 1.00 0.00 ? 5 DA A "H2''" 6 +ATOM 3274 H "H1'" . DA A 1 14 B -7.092 -0.896 13.241 1.00 0.00 ? 5 DA A "H1'" 6 +ATOM 3275 H H8 . DA A 1 14 B -4.889 -3.957 14.457 1.00 0.00 ? 5 DA A H8 6 +ATOM 3276 H H61 . DA A 1 14 B -0.198 0.008 13.327 1.00 0.00 ? 5 DA A H61 6 +ATOM 3277 H H62 . DA A 1 14 B -0.555 -1.546 14.090 1.00 0.00 ? 5 DA A H62 6 +ATOM 3278 H H2 . DA A 1 14 B -3.867 2.033 12.335 1.00 0.00 ? 5 DA A H2 6 +ATOM 3279 P P . DT A 1 15 B -10.024 -2.143 11.028 1.00 0.00 ? 6 DT A P 6 +ATOM 3280 O OP1 . DT A 1 15 B -11.368 -1.535 10.916 1.00 0.00 ? 6 DT A OP1 6 +ATOM 3281 O OP2 . DT A 1 15 B -9.812 -3.547 10.618 1.00 0.00 ? 6 DT A OP2 6 +ATOM 3282 O "O5'" . DT A 1 15 B -8.978 -1.220 10.226 1.00 0.00 ? 6 DT A "O5'" 6 +ATOM 3283 C "C5'" . DT A 1 15 B -9.130 0.191 10.182 1.00 0.00 ? 6 DT A "C5'" 6 +ATOM 3284 C "C4'" . DT A 1 15 B -7.955 0.871 9.461 1.00 0.00 ? 6 DT A "C4'" 6 +ATOM 3285 O "O4'" . DT A 1 15 B -6.729 0.623 10.129 1.00 0.00 ? 6 DT A "O4'" 6 +ATOM 3286 C "C3'" . DT A 1 15 B -7.746 0.409 8.008 1.00 0.00 ? 6 DT A "C3'" 6 +ATOM 3287 O "O3'" . DT A 1 15 B -8.359 1.305 7.101 1.00 0.00 ? 6 DT A "O3'" 6 +ATOM 3288 C "C2'" . DT A 1 15 B -6.218 0.441 7.861 1.00 0.00 ? 6 DT A "C2'" 6 +ATOM 3289 C "C1'" . DT A 1 15 B -5.716 0.937 9.206 1.00 0.00 ? 6 DT A "C1'" 6 +ATOM 3290 N N1 . DT A 1 15 B -4.431 0.290 9.551 1.00 0.00 ? 6 DT A N1 6 +ATOM 3291 C C2 . DT A 1 15 B -3.274 1.033 9.348 1.00 0.00 ? 6 DT A C2 6 +ATOM 3292 O O2 . DT A 1 15 B -3.257 2.180 8.927 1.00 0.00 ? 6 DT A O2 6 +ATOM 3293 N N3 . DT A 1 15 B -2.092 0.407 9.617 1.00 0.00 ? 6 DT A N3 6 +ATOM 3294 C C4 . DT A 1 15 B -1.939 -0.897 10.007 1.00 0.00 ? 6 DT A C4 6 +ATOM 3295 O O4 . DT A 1 15 B -0.801 -1.313 10.179 1.00 0.00 ? 6 DT A O4 6 +ATOM 3296 C C5 . DT A 1 15 B -3.186 -1.652 10.159 1.00 0.00 ? 6 DT A C5 6 +ATOM 3297 C C7 . DT A 1 15 B -3.170 -3.133 10.540 1.00 0.00 ? 6 DT A C7 6 +ATOM 3298 C C6 . DT A 1 15 B -4.378 -1.036 9.933 1.00 0.00 ? 6 DT A C6 6 +ATOM 3299 H "H5'" . DT A 1 15 B -9.186 0.592 11.197 1.00 0.00 ? 6 DT A "H5'" 6 +ATOM 3300 H "H5''" . DT A 1 15 B -10.051 0.446 9.654 1.00 0.00 ? 6 DT A "H5''" 6 +ATOM 3301 H "H4'" . DT A 1 15 B -8.128 1.950 9.470 1.00 0.00 ? 6 DT A "H4'" 6 +ATOM 3302 H "H3'" . DT A 1 15 B -8.118 -0.613 7.891 1.00 0.00 ? 6 DT A "H3'" 6 +ATOM 3303 H "H2'" . DT A 1 15 B -5.879 -0.571 7.640 1.00 0.00 ? 6 DT A "H2'" 6 +ATOM 3304 H "H2''" . DT A 1 15 B -5.825 1.136 7.119 1.00 0.00 ? 6 DT A "H2''" 6 +ATOM 3305 H "H1'" . DT A 1 15 B -5.647 2.024 9.145 1.00 0.00 ? 6 DT A "H1'" 6 +ATOM 3306 H H3 . DT A 1 15 B -1.262 0.971 9.495 1.00 0.00 ? 6 DT A H3 6 +ATOM 3307 H H71 . DT A 1 15 B -2.616 -3.700 9.791 1.00 0.00 ? 6 DT A H71 6 +ATOM 3308 H H72 . DT A 1 15 B -2.675 -3.257 11.502 1.00 0.00 ? 6 DT A H72 6 +ATOM 3309 H H73 . DT A 1 15 B -4.174 -3.554 10.618 1.00 0.00 ? 6 DT A H73 6 +ATOM 3310 H H6 . DT A 1 15 B -5.301 -1.590 10.047 1.00 0.00 ? 6 DT A H6 6 +ATOM 3311 P P . DC A 1 16 B -8.707 0.853 5.596 1.00 0.00 ? 7 DC A P 6 +ATOM 3312 O OP1 . DC A 1 16 B -9.992 0.126 5.645 1.00 0.00 ? 7 DC A OP1 6 +ATOM 3313 O OP2 . DC A 1 16 B -7.526 0.184 5.014 1.00 0.00 ? 7 DC A OP2 6 +ATOM 3314 O "O5'" . DC A 1 16 B -8.966 2.230 4.792 1.00 0.00 ? 7 DC A "O5'" 6 +ATOM 3315 C "C5'" . DC A 1 16 B -8.280 3.443 5.068 1.00 0.00 ? 7 DC A "C5'" 6 +ATOM 3316 C "C4'" . DC A 1 16 B -6.782 3.493 4.714 1.00 0.00 ? 7 DC A "C4'" 6 +ATOM 3317 O "O4'" . DC A 1 16 B -6.000 2.666 5.557 1.00 0.00 ? 7 DC A "O4'" 6 +ATOM 3318 C "C3'" . DC A 1 16 B -6.423 3.062 3.287 1.00 0.00 ? 7 DC A "C3'" 6 +ATOM 3319 O "O3'" . DC A 1 16 B -6.359 4.192 2.438 1.00 0.00 ? 7 DC A "O3'" 6 +ATOM 3320 C "C2'" . DC A 1 16 B -5.042 2.424 3.496 1.00 0.00 ? 7 DC A "C2'" 6 +ATOM 3321 C "C1'" . DC A 1 16 B -4.721 2.577 4.987 1.00 0.00 ? 7 DC A "C1'" 6 +ATOM 3322 N N1 . DC A 1 16 B -3.820 1.504 5.463 1.00 0.00 ? 7 DC A N1 6 +ATOM 3323 C C2 . DC A 1 16 B -2.506 1.786 5.850 1.00 0.00 ? 7 DC A C2 6 +ATOM 3324 O O2 . DC A 1 16 B -2.024 2.904 5.719 1.00 0.00 ? 7 DC A O2 6 +ATOM 3325 N N3 . DC A 1 16 B -1.713 0.797 6.351 1.00 0.00 ? 7 DC A N3 6 +ATOM 3326 C C4 . DC A 1 16 B -2.217 -0.424 6.444 1.00 0.00 ? 7 DC A C4 6 +ATOM 3327 N N4 . DC A 1 16 B -1.435 -1.341 6.939 1.00 0.00 ? 7 DC A N4 6 +ATOM 3328 C C5 . DC A 1 16 B -3.499 -0.781 5.940 1.00 0.00 ? 7 DC A C5 6 +ATOM 3329 C C6 . DC A 1 16 B -4.253 0.219 5.440 1.00 0.00 ? 7 DC A C6 6 +ATOM 3330 H "H5'" . DC A 1 16 B -8.414 3.723 6.115 1.00 0.00 ? 7 DC A "H5'" 6 +ATOM 3331 H "H5''" . DC A 1 16 B -8.771 4.209 4.466 1.00 0.00 ? 7 DC A "H5''" 6 +ATOM 3332 H "H4'" . DC A 1 16 B -6.447 4.521 4.868 1.00 0.00 ? 7 DC A "H4'" 6 +ATOM 3333 H "H3'" . DC A 1 16 B -7.141 2.321 2.925 1.00 0.00 ? 7 DC A "H3'" 6 +ATOM 3334 H "H2'" . DC A 1 16 B -5.132 1.387 3.179 1.00 0.00 ? 7 DC A "H2'" 6 +ATOM 3335 H "H2''" . DC A 1 16 B -4.248 2.842 2.917 1.00 0.00 ? 7 DC A "H2''" 6 +ATOM 3336 H "H1'" . DC A 1 16 B -4.328 3.515 5.331 1.00 0.00 ? 7 DC A "H1'" 6 +ATOM 3337 H H41 . DC A 1 16 B -0.497 -1.029 7.142 1.00 0.00 ? 7 DC A H41 6 +ATOM 3338 H H42 . DC A 1 16 B -1.732 -2.294 7.001 1.00 0.00 ? 7 DC A H42 6 +ATOM 3339 H H5 . DC A 1 16 B -3.910 -1.772 5.949 1.00 0.00 ? 7 DC A H5 6 +ATOM 3340 H H6 . DC A 1 16 B -5.227 0.056 5.024 1.00 0.00 ? 7 DC A H6 6 +ATOM 3341 P P . DC A 1 17 B -6.036 4.057 0.868 1.00 0.00 ? 8 DC A P 6 +ATOM 3342 O OP1 . DC A 1 17 B -6.661 5.199 0.169 1.00 0.00 ? 8 DC A OP1 6 +ATOM 3343 O OP2 . DC A 1 17 B -6.333 2.675 0.436 1.00 0.00 ? 8 DC A OP2 6 +ATOM 3344 O "O5'" . DC A 1 17 B -4.442 4.255 0.819 1.00 0.00 ? 8 DC A "O5'" 6 +ATOM 3345 C "C5'" . DC A 1 17 B -3.844 5.502 1.137 1.00 0.00 ? 8 DC A "C5'" 6 +ATOM 3346 C "C4'" . DC A 1 17 B -2.312 5.380 1.179 1.00 0.00 ? 8 DC A "C4'" 6 +ATOM 3347 O "O4'" . DC A 1 17 B -1.920 4.477 2.220 1.00 0.00 ? 8 DC A "O4'" 6 +ATOM 3348 C "C3'" . DC A 1 17 B -1.730 4.847 -0.148 1.00 0.00 ? 8 DC A "C3'" 6 +ATOM 3349 O "O3'" . DC A 1 17 B -0.495 5.452 -0.471 1.00 0.00 ? 8 DC A "O3'" 6 +ATOM 3350 C "C2'" . DC A 1 17 B -1.418 3.417 0.253 1.00 0.00 ? 8 DC A "C2'" 6 +ATOM 3351 C "C1'" . DC A 1 17 B -0.934 3.626 1.682 1.00 0.00 ? 8 DC A "C1'" 6 +ATOM 3352 N N1 . DC A 1 17 B -0.851 2.325 2.414 1.00 0.00 ? 8 DC A N1 6 +ATOM 3353 C C2 . DC A 1 17 B 0.366 2.021 3.020 1.00 0.00 ? 8 DC A C2 6 +ATOM 3354 O O2 . DC A 1 17 B 1.285 2.828 3.048 1.00 0.00 ? 8 DC A O2 6 +ATOM 3355 N N3 . DC A 1 17 B 0.581 0.809 3.588 1.00 0.00 ? 8 DC A N3 6 +ATOM 3356 C C4 . DC A 1 17 B -0.403 -0.067 3.596 1.00 0.00 ? 8 DC A C4 6 +ATOM 3357 N N4 . DC A 1 17 B -0.142 -1.215 4.151 1.00 0.00 ? 8 DC A N4 6 +ATOM 3358 C C5 . DC A 1 17 B -1.681 0.184 3.028 1.00 0.00 ? 8 DC A C5 6 +ATOM 3359 C C6 . DC A 1 17 B -1.870 1.388 2.436 1.00 0.00 ? 8 DC A C6 6 +ATOM 3360 H "H5'" . DC A 1 17 B -4.185 5.852 2.113 1.00 0.00 ? 8 DC A "H5'" 6 +ATOM 3361 H "H5''" . DC A 1 17 B -4.118 6.245 0.384 1.00 0.00 ? 8 DC A "H5''" 6 +ATOM 3362 H "H4'" . DC A 1 17 B -1.896 6.369 1.385 1.00 0.00 ? 8 DC A "H4'" 6 +ATOM 3363 H "H3'" . DC A 1 17 B -2.450 4.859 -0.971 1.00 0.00 ? 8 DC A "H3'" 6 +ATOM 3364 H "H2'" . DC A 1 17 B -2.356 2.876 0.179 1.00 0.00 ? 8 DC A "H2'" 6 +ATOM 3365 H "H2''" . DC A 1 17 B -0.670 2.917 -0.346 1.00 0.00 ? 8 DC A "H2''" 6 +ATOM 3366 H "H1'" . DC A 1 17 B 0.015 4.206 1.653 1.00 0.00 ? 8 DC A "H1'" 6 +ATOM 3367 H H41 . DC A 1 17 B 0.790 -1.310 4.527 1.00 0.00 ? 8 DC A H41 6 +ATOM 3368 H H42 . DC A 1 17 B -0.839 -1.930 4.207 1.00 0.00 ? 8 DC A H42 6 +ATOM 3369 H H5 . DC A 1 17 B -2.472 -0.549 3.027 1.00 0.00 ? 8 DC A H5 6 +ATOM 3370 H H6 . DC A 1 17 B -2.843 1.533 1.973 1.00 0.00 ? 8 DC A H6 6 +ATOM 3371 P P . DT A 1 18 B -0.395 6.652 -1.528 1.00 0.00 ? 9 DT A P 6 +ATOM 3372 O OP1 . DT A 1 18 B 0.715 7.539 -1.122 1.00 0.00 ? 9 DT A OP1 6 +ATOM 3373 O OP2 . DT A 1 18 B -1.748 7.206 -1.741 1.00 0.00 ? 9 DT A OP2 6 +ATOM 3374 O "O5'" . DT A 1 18 B 0.050 5.866 -2.860 1.00 0.00 ? 9 DT A "O5'" 6 +ATOM 3375 C "C5'" . DT A 1 18 B -0.872 5.120 -3.636 1.00 0.00 ? 9 DT A "C5'" 6 +ATOM 3376 C "C4'" . DT A 1 18 B -0.121 4.348 -4.736 1.00 0.00 ? 9 DT A "C4'" 6 +ATOM 3377 O "O4'" . DT A 1 18 B 0.616 3.256 -4.189 1.00 0.00 ? 9 DT A "O4'" 6 +ATOM 3378 C "C3'" . DT A 1 18 B -1.071 3.782 -5.806 1.00 0.00 ? 9 DT A "C3'" 6 +ATOM 3379 O "O3'" . DT A 1 18 B -0.647 4.126 -7.111 1.00 0.00 ? 9 DT A "O3'" 6 +ATOM 3380 C "C2'" . DT A 1 18 B -0.979 2.265 -5.633 1.00 0.00 ? 9 DT A "C2'" 6 +ATOM 3381 C "C1'" . DT A 1 18 B -0.048 2.035 -4.436 1.00 0.00 ? 9 DT A "C1'" 6 +ATOM 3382 N N1 . DT A 1 18 B -0.674 1.513 -3.189 1.00 0.00 ? 9 DT A N1 6 +ATOM 3383 C C2 . DT A 1 18 B 0.167 0.823 -2.313 1.00 0.00 ? 9 DT A C2 6 +ATOM 3384 O O2 . DT A 1 18 B 1.372 0.689 -2.472 1.00 0.00 ? 9 DT A O2 6 +ATOM 3385 N N3 . DT A 1 18 B -0.420 0.225 -1.229 1.00 0.00 ? 9 DT A N3 6 +ATOM 3386 C C4 . DT A 1 18 B -1.759 0.237 -0.937 1.00 0.00 ? 9 DT A C4 6 +ATOM 3387 O O4 . DT A 1 18 B -2.143 -0.437 0.009 1.00 0.00 ? 9 DT A O4 6 +ATOM 3388 C C5 . DT A 1 18 B -2.579 1.074 -1.813 1.00 0.00 ? 9 DT A C5 6 +ATOM 3389 C C7 . DT A 1 18 B -4.066 1.303 -1.539 1.00 0.00 ? 9 DT A C7 6 +ATOM 3390 C C6 . DT A 1 18 B -2.011 1.682 -2.889 1.00 0.00 ? 9 DT A C6 6 +ATOM 3391 H "H5'" . DT A 1 18 B -1.575 5.815 -4.100 1.00 0.00 ? 9 DT A "H5'" 6 +ATOM 3392 H "H5''" . DT A 1 18 B -1.427 4.416 -3.018 1.00 0.00 ? 9 DT A "H5''" 6 +ATOM 3393 H "H4'" . DT A 1 18 B 0.581 5.042 -5.203 1.00 0.00 ? 9 DT A "H4'" 6 +ATOM 3394 H "H3'" . DT A 1 18 B -2.090 4.156 -5.692 1.00 0.00 ? 9 DT A "H3'" 6 +ATOM 3395 H "H2'" . DT A 1 18 B -1.935 1.749 -5.636 1.00 0.00 ? 9 DT A "H2'" 6 +ATOM 3396 H "H2''" . DT A 1 18 B -0.473 1.854 -6.490 1.00 0.00 ? 9 DT A "H2''" 6 +ATOM 3397 H "H1'" . DT A 1 18 B 0.707 1.318 -4.769 1.00 0.00 ? 9 DT A "H1'" 6 +ATOM 3398 H H3 . DT A 1 18 B 0.194 -0.255 -0.583 1.00 0.00 ? 9 DT A H3 6 +ATOM 3399 H H71 . DT A 1 18 B -4.299 2.371 -1.535 1.00 0.00 ? 9 DT A H71 6 +ATOM 3400 H H72 . DT A 1 18 B -4.676 0.815 -2.299 1.00 0.00 ? 9 DT A H72 6 +ATOM 3401 H H73 . DT A 1 18 B -4.362 0.913 -0.561 1.00 0.00 ? 9 DT A H73 6 +ATOM 3402 H H6 . DT A 1 18 B -2.629 2.316 -3.498 1.00 0.00 ? 9 DT A H6 6 +ATOM 3403 O "O5'" . DA A 1 1 ? 8.567 -8.534 0.397 1.00 0.00 ? 1 DA A "O5'" 7 +ATOM 3404 C "C5'" . DA A 1 1 ? 7.372 -7.894 -0.011 1.00 0.00 ? 1 DA A "C5'" 7 +ATOM 3405 C "C4'" . DA A 1 1 ? 7.001 -6.756 0.948 1.00 0.00 ? 1 DA A "C4'" 7 +ATOM 3406 O "O4'" . DA A 1 1 ? 5.780 -6.124 0.574 1.00 0.00 ? 1 DA A "O4'" 7 +ATOM 3407 C "C3'" . DA A 1 1 ? 6.819 -7.231 2.409 1.00 0.00 ? 1 DA A "C3'" 7 +ATOM 3408 O "O3'" . DA A 1 1 ? 7.509 -6.423 3.334 1.00 0.00 ? 1 DA A "O3'" 7 +ATOM 3409 C "C2'" . DA A 1 1 ? 5.334 -7.000 2.621 1.00 0.00 ? 1 DA A "C2'" 7 +ATOM 3410 C "C1'" . DA A 1 1 ? 5.173 -5.736 1.788 1.00 0.00 ? 1 DA A "C1'" 7 +ATOM 3411 N N9 . DA A 1 1 ? 3.772 -5.330 1.614 1.00 0.00 ? 1 DA A N9 7 +ATOM 3412 C C8 . DA A 1 1 ? 2.623 -6.050 1.810 1.00 0.00 ? 1 DA A C8 7 +ATOM 3413 N N7 . DA A 1 1 ? 1.525 -5.383 1.572 1.00 0.00 ? 1 DA A N7 7 +ATOM 3414 C C5 . DA A 1 1 ? 1.999 -4.115 1.207 1.00 0.00 ? 1 DA A C5 7 +ATOM 3415 C C6 . DA A 1 1 ? 1.409 -2.882 0.845 1.00 0.00 ? 1 DA A C6 7 +ATOM 3416 N N6 . DA A 1 1 ? 0.112 -2.667 0.763 1.00 0.00 ? 1 DA A N6 7 +ATOM 3417 N N1 . DA A 1 1 ? 2.161 -1.819 0.535 1.00 0.00 ? 1 DA A N1 7 +ATOM 3418 C C2 . DA A 1 1 ? 3.481 -1.949 0.575 1.00 0.00 ? 1 DA A C2 7 +ATOM 3419 N N3 . DA A 1 1 ? 4.172 -3.035 0.898 1.00 0.00 ? 1 DA A N3 7 +ATOM 3420 C C4 . DA A 1 1 ? 3.367 -4.088 1.212 1.00 0.00 ? 1 DA A C4 7 +ATOM 3421 H "H5'" . DA A 1 1 ? 6.568 -8.631 -0.043 1.00 0.00 ? 1 DA A "H5'" 7 +ATOM 3422 H "H5''" . DA A 1 1 ? 7.515 -7.486 -1.013 1.00 0.00 ? 1 DA A "H5''" 7 +ATOM 3423 H "H4'" . DA A 1 1 ? 7.783 -5.997 0.893 1.00 0.00 ? 1 DA A "H4'" 7 +ATOM 3424 H "H3'" . DA A 1 1 ? 7.019 -8.290 2.566 1.00 0.00 ? 1 DA A "H3'" 7 +ATOM 3425 H "H2'" . DA A 1 1 ? 4.780 -7.835 2.190 1.00 0.00 ? 1 DA A "H2'" 7 +ATOM 3426 H "H2''" . DA A 1 1 ? 5.069 -6.868 3.670 1.00 0.00 ? 1 DA A "H2''" 7 +ATOM 3427 H "H1'" . DA A 1 1 ? 5.739 -4.908 2.217 1.00 0.00 ? 1 DA A "H1'" 7 +ATOM 3428 H H8 . DA A 1 1 ? 2.631 -7.084 2.129 1.00 0.00 ? 1 DA A H8 7 +ATOM 3429 H H61 . DA A 1 1 ? -0.182 -1.732 0.513 1.00 0.00 ? 1 DA A H61 7 +ATOM 3430 H H62 . DA A 1 1 ? -0.526 -3.397 1.025 1.00 0.00 ? 1 DA A H62 7 +ATOM 3431 H H2 . DA A 1 1 ? 4.063 -1.080 0.315 1.00 0.00 ? 1 DA A H2 7 +ATOM 3432 H "HO5'" . DA A 1 1 ? 9.064 -7.941 0.992 1.00 0.00 ? 1 DA A "HO5'" 7 +ATOM 3433 P P . DG A 1 2 ? 9.092 -6.557 3.526 1.00 0.00 ? 2 DG A P 7 +ATOM 3434 O OP1 . DG A 1 2 ? 9.664 -6.993 2.229 1.00 0.00 ? 2 DG A OP1 7 +ATOM 3435 O OP2 . DG A 1 2 ? 9.336 -7.354 4.744 1.00 0.00 ? 2 DG A OP2 7 +ATOM 3436 O "O5'" . DG A 1 2 ? 9.500 -5.024 3.798 1.00 0.00 ? 2 DG A "O5'" 7 +ATOM 3437 C "C5'" . DG A 1 2 ? 9.846 -4.133 2.749 1.00 0.00 ? 2 DG A "C5'" 7 +ATOM 3438 C "C4'" . DG A 1 2 ? 9.338 -2.703 3.013 1.00 0.00 ? 2 DG A "C4'" 7 +ATOM 3439 O "O4'" . DG A 1 2 ? 7.929 -2.641 2.809 1.00 0.00 ? 2 DG A "O4'" 7 +ATOM 3440 C "C3'" . DG A 1 2 ? 9.605 -2.181 4.440 1.00 0.00 ? 2 DG A "C3'" 7 +ATOM 3441 O "O3'" . DG A 1 2 ? 9.952 -0.806 4.355 1.00 0.00 ? 2 DG A "O3'" 7 +ATOM 3442 C "C2'" . DG A 1 2 ? 8.232 -2.366 5.066 1.00 0.00 ? 2 DG A "C2'" 7 +ATOM 3443 C "C1'" . DG A 1 2 ? 7.367 -1.928 3.893 1.00 0.00 ? 2 DG A "C1'" 7 +ATOM 3444 N N9 . DG A 1 2 ? 5.959 -2.310 4.063 1.00 0.00 ? 2 DG A N9 7 +ATOM 3445 C C8 . DG A 1 2 ? 5.434 -3.524 4.402 1.00 0.00 ? 2 DG A C8 7 +ATOM 3446 N N7 . DG A 1 2 ? 4.126 -3.566 4.374 1.00 0.00 ? 2 DG A N7 7 +ATOM 3447 C C5 . DG A 1 2 ? 3.762 -2.248 4.049 1.00 0.00 ? 2 DG A C5 7 +ATOM 3448 C C6 . DG A 1 2 ? 2.493 -1.597 3.848 1.00 0.00 ? 2 DG A C6 7 +ATOM 3449 O O6 . DG A 1 2 ? 1.368 -2.079 3.878 1.00 0.00 ? 2 DG A O6 7 +ATOM 3450 N N1 . DG A 1 2 ? 2.582 -0.249 3.539 1.00 0.00 ? 2 DG A N1 7 +ATOM 3451 C C2 . DG A 1 2 ? 3.763 0.407 3.442 1.00 0.00 ? 2 DG A C2 7 +ATOM 3452 N N2 . DG A 1 2 ? 3.730 1.706 3.387 1.00 0.00 ? 2 DG A N2 7 +ATOM 3453 N N3 . DG A 1 2 ? 4.950 -0.154 3.611 1.00 0.00 ? 2 DG A N3 7 +ATOM 3454 C C4 . DG A 1 2 ? 4.889 -1.478 3.899 1.00 0.00 ? 2 DG A C4 7 +ATOM 3455 H "H5'" . DG A 1 2 ? 9.442 -4.447 1.784 1.00 0.00 ? 2 DG A "H5'" 7 +ATOM 3456 H "H5''" . DG A 1 2 ? 10.934 -4.118 2.669 1.00 0.00 ? 2 DG A "H5''" 7 +ATOM 3457 H "H4'" . DG A 1 2 ? 9.817 -2.046 2.284 1.00 0.00 ? 2 DG A "H4'" 7 +ATOM 3458 H "H3'" . DG A 1 2 ? 10.356 -2.770 4.965 1.00 0.00 ? 2 DG A "H3'" 7 +ATOM 3459 H "H2'" . DG A 1 2 ? 8.091 -3.422 5.298 1.00 0.00 ? 2 DG A "H2'" 7 +ATOM 3460 H "H2''" . DG A 1 2 ? 8.089 -1.783 5.968 1.00 0.00 ? 2 DG A "H2''" 7 +ATOM 3461 H "H1'" . DG A 1 2 ? 7.465 -0.853 3.731 1.00 0.00 ? 2 DG A "H1'" 7 +ATOM 3462 H H8 . DG A 1 2 ? 6.077 -4.364 4.632 1.00 0.00 ? 2 DG A H8 7 +ATOM 3463 H H1 . DG A 1 2 ? 1.716 0.257 3.396 1.00 0.00 ? 2 DG A H1 7 +ATOM 3464 H H21 . DG A 1 2 ? 2.859 2.209 3.349 1.00 0.00 ? 2 DG A H21 7 +ATOM 3465 H H22 . DG A 1 2 ? 4.623 2.134 3.569 1.00 0.00 ? 2 DG A H22 7 +ATOM 3466 P P . DG A 1 3 ? 10.161 0.127 5.651 1.00 0.00 ? 3 DG A P 7 +ATOM 3467 O OP1 . DG A 1 3 ? 11.236 1.089 5.327 1.00 0.00 ? 3 DG A OP1 7 +ATOM 3468 O OP2 . DG A 1 3 ? 10.299 -0.754 6.830 1.00 0.00 ? 3 DG A OP2 7 +ATOM 3469 O "O5'" . DG A 1 3 ? 8.766 0.949 5.778 1.00 0.00 ? 3 DG A "O5'" 7 +ATOM 3470 C "C5'" . DG A 1 3 ? 8.426 1.977 4.853 1.00 0.00 ? 3 DG A "C5'" 7 +ATOM 3471 C "C4'" . DG A 1 3 ? 7.256 2.878 5.308 1.00 0.00 ? 3 DG A "C4'" 7 +ATOM 3472 O "O4'" . DG A 1 3 ? 5.978 2.249 5.229 1.00 0.00 ? 3 DG A "O4'" 7 +ATOM 3473 C "C3'" . DG A 1 3 ? 7.405 3.429 6.738 1.00 0.00 ? 3 DG A "C3'" 7 +ATOM 3474 O "O3'" . DG A 1 3 ? 7.217 4.834 6.751 1.00 0.00 ? 3 DG A "O3'" 7 +ATOM 3475 C "C2'" . DG A 1 3 ? 6.257 2.719 7.446 1.00 0.00 ? 3 DG A "C2'" 7 +ATOM 3476 C "C1'" . DG A 1 3 ? 5.203 2.652 6.348 1.00 0.00 ? 3 DG A "C1'" 7 +ATOM 3477 N N9 . DG A 1 3 ? 4.163 1.627 6.595 1.00 0.00 ? 3 DG A N9 7 +ATOM 3478 C C8 . DG A 1 3 ? 4.346 0.299 6.878 1.00 0.00 ? 3 DG A C8 7 +ATOM 3479 N N7 . DG A 1 3 ? 3.255 -0.411 6.895 1.00 0.00 ? 3 DG A N7 7 +ATOM 3480 C C5 . DG A 1 3 ? 2.256 0.526 6.621 1.00 0.00 ? 3 DG A C5 7 +ATOM 3481 C C6 . DG A 1 3 ? 0.835 0.385 6.467 1.00 0.00 ? 3 DG A C6 7 +ATOM 3482 O O6 . DG A 1 3 ? 0.151 -0.626 6.548 1.00 0.00 ? 3 DG A O6 7 +ATOM 3483 N N1 . DG A 1 3 ? 0.174 1.566 6.204 1.00 0.00 ? 3 DG A N1 7 +ATOM 3484 C C2 . DG A 1 3 ? 0.801 2.762 6.118 1.00 0.00 ? 3 DG A C2 7 +ATOM 3485 N N2 . DG A 1 3 ? 0.035 3.797 5.909 1.00 0.00 ? 3 DG A N2 7 +ATOM 3486 N N3 . DG A 1 3 ? 2.116 2.940 6.247 1.00 0.00 ? 3 DG A N3 7 +ATOM 3487 C C4 . DG A 1 3 ? 2.799 1.784 6.492 1.00 0.00 ? 3 DG A C4 7 +ATOM 3488 H "H5'" . DG A 1 3 ? 8.185 1.537 3.884 1.00 0.00 ? 3 DG A "H5'" 7 +ATOM 3489 H "H5''" . DG A 1 3 ? 9.284 2.641 4.720 1.00 0.00 ? 3 DG A "H5''" 7 +ATOM 3490 H "H4'" . DG A 1 3 ? 7.227 3.720 4.612 1.00 0.00 ? 3 DG A "H4'" 7 +ATOM 3491 H "H3'" . DG A 1 3 ? 8.375 3.158 7.164 1.00 0.00 ? 3 DG A "H3'" 7 +ATOM 3492 H "H2'" . DG A 1 3 ? 6.573 1.729 7.760 1.00 0.00 ? 3 DG A "H2'" 7 +ATOM 3493 H "H2''" . DG A 1 3 ? 5.918 3.277 8.307 1.00 0.00 ? 3 DG A "H2''" 7 +ATOM 3494 H "H1'" . DG A 1 3 ? 4.775 3.643 6.207 1.00 0.00 ? 3 DG A "H1'" 7 +ATOM 3495 H H8 . DG A 1 3 ? 5.315 -0.134 7.050 1.00 0.00 ? 3 DG A H8 7 +ATOM 3496 H H1 . DG A 1 3 ? -0.833 1.494 6.104 1.00 0.00 ? 3 DG A H1 7 +ATOM 3497 H H21 . DG A 1 3 ? -0.969 3.692 5.865 1.00 0.00 ? 3 DG A H21 7 +ATOM 3498 H H22 . DG A 1 3 ? 0.500 4.686 5.905 1.00 0.00 ? 3 DG A H22 7 +ATOM 3499 P P . DA A 1 4 ? 7.511 5.715 8.067 1.00 0.00 ? 4 DA A P 7 +ATOM 3500 O OP1 . DA A 1 4 ? 8.269 6.914 7.650 1.00 0.00 ? 4 DA A OP1 7 +ATOM 3501 O OP2 . DA A 1 4 ? 8.053 4.829 9.118 1.00 0.00 ? 4 DA A OP2 7 +ATOM 3502 O "O5'" . DA A 1 4 ? 6.046 6.187 8.534 1.00 0.00 ? 4 DA A "O5'" 7 +ATOM 3503 C "C5'" . DA A 1 4 ? 5.341 7.199 7.832 1.00 0.00 ? 4 DA A "C5'" 7 +ATOM 3504 C "C4'" . DA A 1 4 ? 3.977 7.501 8.478 1.00 0.00 ? 4 DA A "C4'" 7 +ATOM 3505 O "O4'" . DA A 1 4 ? 3.148 6.343 8.423 1.00 0.00 ? 4 DA A "O4'" 7 +ATOM 3506 C "C3'" . DA A 1 4 ? 4.077 7.951 9.950 1.00 0.00 ? 4 DA A "C3'" 7 +ATOM 3507 O "O3'" . DA A 1 4 ? 3.106 8.940 10.234 1.00 0.00 ? 4 DA A "O3'" 7 +ATOM 3508 C "C2'" . DA A 1 4 ? 3.787 6.645 10.675 1.00 0.00 ? 4 DA A "C2'" 7 +ATOM 3509 C "C1'" . DA A 1 4 ? 2.758 6.013 9.740 1.00 0.00 ? 4 DA A "C1'" 7 +ATOM 3510 N N9 . DA A 1 4 ? 2.667 4.542 9.869 1.00 0.00 ? 4 DA A N9 7 +ATOM 3511 C C8 . DA A 1 4 ? 3.671 3.613 10.047 1.00 0.00 ? 4 DA A C8 7 +ATOM 3512 N N7 . DA A 1 4 ? 3.280 2.372 9.978 1.00 0.00 ? 4 DA A N7 7 +ATOM 3513 C C5 . DA A 1 4 ? 1.918 2.488 9.702 1.00 0.00 ? 4 DA A C5 7 +ATOM 3514 C C6 . DA A 1 4 ? 0.860 1.572 9.525 1.00 0.00 ? 4 DA A C6 7 +ATOM 3515 N N6 . DA A 1 4 ? 1.001 0.265 9.599 1.00 0.00 ? 4 DA A N6 7 +ATOM 3516 N N1 . DA A 1 4 ? -0.378 1.992 9.244 1.00 0.00 ? 4 DA A N1 7 +ATOM 3517 C C2 . DA A 1 4 ? -0.592 3.300 9.156 1.00 0.00 ? 4 DA A C2 7 +ATOM 3518 N N3 . DA A 1 4 ? 0.299 4.272 9.319 1.00 0.00 ? 4 DA A N3 7 +ATOM 3519 C C4 . DA A 1 4 ? 1.549 3.800 9.582 1.00 0.00 ? 4 DA A C4 7 +ATOM 3520 H "H5'" . DA A 1 4 ? 5.177 6.885 6.799 1.00 0.00 ? 4 DA A "H5'" 7 +ATOM 3521 H "H5''" . DA A 1 4 ? 5.925 8.122 7.826 1.00 0.00 ? 4 DA A "H5''" 7 +ATOM 3522 H "H4'" . DA A 1 4 ? 3.508 8.292 7.890 1.00 0.00 ? 4 DA A "H4'" 7 +ATOM 3523 H "H3'" . DA A 1 4 ? 5.078 8.328 10.178 1.00 0.00 ? 4 DA A "H3'" 7 +ATOM 3524 H "H2'" . DA A 1 4 ? 4.723 6.098 10.729 1.00 0.00 ? 4 DA A "H2'" 7 +ATOM 3525 H "H2''" . DA A 1 4 ? 3.394 6.781 11.682 1.00 0.00 ? 4 DA A "H2''" 7 +ATOM 3526 H "H1'" . DA A 1 4 ? 1.785 6.489 9.902 1.00 0.00 ? 4 DA A "H1'" 7 +ATOM 3527 H H8 . DA A 1 4 ? 4.709 3.838 10.240 1.00 0.00 ? 4 DA A H8 7 +ATOM 3528 H H61 . DA A 1 4 ? 0.184 -0.311 9.461 1.00 0.00 ? 4 DA A H61 7 +ATOM 3529 H H62 . DA A 1 4 ? 1.914 -0.121 9.769 1.00 0.00 ? 4 DA A H62 7 +ATOM 3530 H H2 . DA A 1 4 ? -1.600 3.611 8.935 1.00 0.00 ? 4 DA A H2 7 +ATOM 3531 P P . DT A 1 5 ? 2.977 9.618 11.691 1.00 0.00 ? 5 DT A P 7 +ATOM 3532 O OP1 . DT A 1 5 ? 2.716 11.061 11.502 1.00 0.00 ? 5 DT A OP1 7 +ATOM 3533 O OP2 . DT A 1 5 ? 4.115 9.175 12.524 1.00 0.00 ? 5 DT A OP2 7 +ATOM 3534 O "O5'" . DT A 1 5 ? 1.635 8.927 12.253 1.00 0.00 ? 5 DT A "O5'" 7 +ATOM 3535 C "C5'" . DT A 1 5 ? 0.374 9.250 11.690 1.00 0.00 ? 5 DT A "C5'" 7 +ATOM 3536 C "C4'" . DT A 1 5 ? -0.718 8.242 12.080 1.00 0.00 ? 5 DT A "C4'" 7 +ATOM 3537 O "O4'" . DT A 1 5 ? -0.328 6.909 11.752 1.00 0.00 ? 5 DT A "O4'" 7 +ATOM 3538 C "C3'" . DT A 1 5 ? -1.134 8.243 13.566 1.00 0.00 ? 5 DT A "C3'" 7 +ATOM 3539 O "O3'" . DT A 1 5 ? -2.542 8.257 13.713 1.00 0.00 ? 5 DT A "O3'" 7 +ATOM 3540 C "C2'" . DT A 1 5 ? -0.653 6.869 14.011 1.00 0.00 ? 5 DT A "C2'" 7 +ATOM 3541 C "C1'" . DT A 1 5 ? -0.875 6.067 12.739 1.00 0.00 ? 5 DT A "C1'" 7 +ATOM 3542 N N1 . DT A 1 5 ? -0.157 4.759 12.768 1.00 0.00 ? 5 DT A N1 7 +ATOM 3543 C C2 . DT A 1 5 ? -0.929 3.642 12.469 1.00 0.00 ? 5 DT A C2 7 +ATOM 3544 O O2 . DT A 1 5 ? -2.123 3.672 12.214 1.00 0.00 ? 5 DT A O2 7 +ATOM 3545 N N3 . DT A 1 5 ? -0.301 2.433 12.482 1.00 0.00 ? 5 DT A N3 7 +ATOM 3546 C C4 . DT A 1 5 ? 1.009 2.200 12.791 1.00 0.00 ? 5 DT A C4 7 +ATOM 3547 O O4 . DT A 1 5 ? 1.390 1.036 12.794 1.00 0.00 ? 5 DT A O4 7 +ATOM 3548 C C5 . DT A 1 5 ? 1.793 3.399 13.095 1.00 0.00 ? 5 DT A C5 7 +ATOM 3549 C C7 . DT A 1 5 ? 3.279 3.309 13.444 1.00 0.00 ? 5 DT A C7 7 +ATOM 3550 C C6 . DT A 1 5 ? 1.192 4.623 13.084 1.00 0.00 ? 5 DT A C6 7 +ATOM 3551 H "H5'" . DT A 1 5 ? 0.438 9.239 10.599 1.00 0.00 ? 5 DT A "H5'" 7 +ATOM 3552 H "H5''" . DT A 1 5 ? 0.071 10.250 12.007 1.00 0.00 ? 5 DT A "H5''" 7 +ATOM 3553 H "H4'" . DT A 1 5 ? -1.599 8.486 11.483 1.00 0.00 ? 5 DT A "H4'" 7 +ATOM 3554 H "H3'" . DT A 1 5 ? -0.616 9.006 14.153 1.00 0.00 ? 5 DT A "H3'" 7 +ATOM 3555 H "H2'" . DT A 1 5 ? 0.405 6.941 14.267 1.00 0.00 ? 5 DT A "H2'" 7 +ATOM 3556 H "H2''" . DT A 1 5 ? -1.238 6.451 14.842 1.00 0.00 ? 5 DT A "H2''" 7 +ATOM 3557 H "H1'" . DT A 1 5 ? -1.958 5.991 12.558 1.00 0.00 ? 5 DT A "H1'" 7 +ATOM 3558 H H3 . DT A 1 5 ? -0.903 1.640 12.307 1.00 0.00 ? 5 DT A H3 7 +ATOM 3559 H H71 . DT A 1 5 ? 3.418 3.413 14.521 1.00 0.00 ? 5 DT A H71 7 +ATOM 3560 H H72 . DT A 1 5 ? 3.692 2.347 13.129 1.00 0.00 ? 5 DT A H72 7 +ATOM 3561 H H73 . DT A 1 5 ? 3.846 4.095 12.939 1.00 0.00 ? 5 DT A H73 7 +ATOM 3562 H H6 . DT A 1 5 ? 1.806 5.460 13.403 1.00 0.00 ? 5 DT A H6 7 +ATOM 3563 P P . DC A 1 6 ? -3.347 9.589 14.109 1.00 0.00 ? 6 DC A P 7 +ATOM 3564 O OP1 . DC A 1 6 ? -4.500 9.724 13.195 1.00 0.00 ? 6 DC A OP1 7 +ATOM 3565 O OP2 . DC A 1 6 ? -2.386 10.704 14.248 1.00 0.00 ? 6 DC A OP2 7 +ATOM 3566 O "O5'" . DC A 1 6 ? -3.908 9.236 15.579 1.00 0.00 ? 6 DC A "O5'" 7 +ATOM 3567 C "C5'" . DC A 1 6 ? -3.046 8.914 16.661 1.00 0.00 ? 6 DC A "C5'" 7 +ATOM 3568 C "C4'" . DC A 1 6 ? -3.336 7.494 17.180 1.00 0.00 ? 6 DC A "C4'" 7 +ATOM 3569 O "O4'" . DC A 1 6 ? -2.992 6.520 16.187 1.00 0.00 ? 6 DC A "O4'" 7 +ATOM 3570 C "C3'" . DC A 1 6 ? -2.520 7.163 18.456 1.00 0.00 ? 6 DC A "C3'" 7 +ATOM 3571 O "O3'" . DC A 1 6 ? -3.300 6.534 19.449 1.00 0.00 ? 6 DC A "O3'" 7 +ATOM 3572 C "C2'" . DC A 1 6 ? -1.503 6.188 17.891 1.00 0.00 ? 6 DC A "C2'" 7 +ATOM 3573 C "C1'" . DC A 1 6 ? -2.359 5.458 16.852 1.00 0.00 ? 6 DC A "C1'" 7 +ATOM 3574 N N1 . DC A 1 6 ? -1.580 4.433 16.111 1.00 0.00 ? 6 DC A N1 7 +ATOM 3575 C C2 . DC A 1 6 ? -2.013 3.097 16.117 1.00 0.00 ? 6 DC A C2 7 +ATOM 3576 O O2 . DC A 1 6 ? -3.204 2.812 16.174 1.00 0.00 ? 6 DC A O2 7 +ATOM 3577 N N3 . DC A 1 6 ? -1.111 2.071 16.069 1.00 0.00 ? 6 DC A N3 7 +ATOM 3578 C C4 . DC A 1 6 ? 0.180 2.371 16.090 1.00 0.00 ? 6 DC A C4 7 +ATOM 3579 N N4 . DC A 1 6 ? 1.025 1.383 16.022 1.00 0.00 ? 6 DC A N4 7 +ATOM 3580 C C5 . DC A 1 6 ? 0.648 3.712 16.060 1.00 0.00 ? 6 DC A C5 7 +ATOM 3581 C C6 . DC A 1 6 ? -0.248 4.675 16.032 1.00 0.00 ? 6 DC A C6 7 +ATOM 3582 H "H5'" . DC A 1 6 ? -3.257 9.626 17.461 1.00 0.00 ? 6 DC A "H5'" 7 +ATOM 3583 H "H5''" . DC A 1 6 ? -1.987 9.000 16.406 1.00 0.00 ? 6 DC A "H5''" 7 +ATOM 3584 H "H4'" . DC A 1 6 ? -4.402 7.418 17.404 1.00 0.00 ? 6 DC A "H4'" 7 +ATOM 3585 H "H3'" . DC A 1 6 ? -2.007 8.051 18.831 1.00 0.00 ? 6 DC A "H3'" 7 +ATOM 3586 H "H2'" . DC A 1 6 ? -0.753 6.842 17.465 1.00 0.00 ? 6 DC A "H2'" 7 +ATOM 3587 H "H2''" . DC A 1 6 ? -0.962 5.488 18.535 1.00 0.00 ? 6 DC A "H2''" 7 +ATOM 3588 H "H1'" . DC A 1 6 ? -3.176 4.978 17.290 1.00 0.00 ? 6 DC A "H1'" 7 +ATOM 3589 H H41 . DC A 1 6 ? 0.617 0.461 16.036 1.00 0.00 ? 6 DC A H41 7 +ATOM 3590 H H42 . DC A 1 6 ? 2.010 1.553 15.975 1.00 0.00 ? 6 DC A H42 7 +ATOM 3591 H H5 . DC A 1 6 ? 1.574 4.198 16.215 1.00 0.00 ? 6 DC A H5 7 +ATOM 3592 H H6 . DC A 1 6 ? 0.187 5.658 16.025 1.00 0.00 ? 6 DC A H6 7 +ATOM 3593 P P . DC A 1 7 ? -2.808 6.518 20.977 1.00 0.00 ? 7 DC A P 7 +ATOM 3594 O OP1 . DC A 1 7 ? -3.319 7.737 21.636 1.00 0.00 ? 7 DC A OP1 7 +ATOM 3595 O OP2 . DC A 1 7 ? -1.360 6.223 20.980 1.00 0.00 ? 7 DC A OP2 7 +ATOM 3596 O "O5'" . DC A 1 7 ? -3.572 5.236 21.569 1.00 0.00 ? 7 DC A "O5'" 7 +ATOM 3597 C "C5'" . DC A 1 7 ? -4.960 5.246 21.850 1.00 0.00 ? 7 DC A "C5'" 7 +ATOM 3598 C "C4'" . DC A 1 7 ? -5.552 3.835 22.079 1.00 0.00 ? 7 DC A "C4'" 7 +ATOM 3599 O "O4'" . DC A 1 7 ? -5.591 3.087 20.840 1.00 0.00 ? 7 DC A "O4'" 7 +ATOM 3600 C "C3'" . DC A 1 7 ? -4.737 2.967 23.061 1.00 0.00 ? 7 DC A "C3'" 7 +ATOM 3601 O "O3'" . DC A 1 7 ? -5.548 1.978 23.658 1.00 0.00 ? 7 DC A "O3'" 7 +ATOM 3602 C "C2'" . DC A 1 7 ? -3.792 2.268 22.092 1.00 0.00 ? 7 DC A "C2'" 7 +ATOM 3603 C "C1'" . DC A 1 7 ? -4.701 1.964 20.899 1.00 0.00 ? 7 DC A "C1'" 7 +ATOM 3604 N N1 . DC A 1 7 ? -3.823 1.842 19.700 1.00 0.00 ? 7 DC A N1 7 +ATOM 3605 C C2 . DC A 1 7 ? -3.450 0.527 19.420 1.00 0.00 ? 7 DC A C2 7 +ATOM 3606 O O2 . DC A 1 7 ? -4.279 -0.373 19.422 1.00 0.00 ? 7 DC A O2 7 +ATOM 3607 N N3 . DC A 1 7 ? -2.152 0.199 19.191 1.00 0.00 ? 7 DC A N3 7 +ATOM 3608 C C4 . DC A 1 7 ? -1.265 1.174 19.158 1.00 0.00 ? 7 DC A C4 7 +ATOM 3609 N N4 . DC A 1 7 ? -0.015 0.826 19.067 1.00 0.00 ? 7 DC A N4 7 +ATOM 3610 C C5 . DC A 1 7 ? -1.613 2.542 19.289 1.00 0.00 ? 7 DC A C5 7 +ATOM 3611 C C6 . DC A 1 7 ? -2.913 2.849 19.471 1.00 0.00 ? 7 DC A C6 7 +ATOM 3612 H "H5'" . DC A 1 7 ? -5.514 5.709 21.030 1.00 0.00 ? 7 DC A "H5'" 7 +ATOM 3613 H "H5''" . DC A 1 7 ? -5.120 5.844 22.751 1.00 0.00 ? 7 DC A "H5''" 7 +ATOM 3614 H "H4'" . DC A 1 7 ? -6.552 4.066 22.491 1.00 0.00 ? 7 DC A "H4'" 7 +ATOM 3615 H "H3'" . DC A 1 7 ? -4.177 3.564 23.791 1.00 0.00 ? 7 DC A "H3'" 7 +ATOM 3616 H "H2'" . DC A 1 7 ? -3.023 2.992 21.881 1.00 0.00 ? 7 DC A "H2'" 7 +ATOM 3617 H "H2''" . DC A 1 7 ? -3.237 1.397 22.408 1.00 0.00 ? 7 DC A "H2''" 7 +ATOM 3618 H "H1'" . DC A 1 7 ? -5.238 1.006 21.104 1.00 0.00 ? 7 DC A "H1'" 7 +ATOM 3619 H H41 . DC A 1 7 ? 0.159 -0.165 19.029 1.00 0.00 ? 7 DC A H41 7 +ATOM 3620 H H42 . DC A 1 7 ? 0.700 1.507 19.273 1.00 0.00 ? 7 DC A H42 7 +ATOM 3621 H H5 . DC A 1 7 ? -0.898 3.318 19.434 1.00 0.00 ? 7 DC A H5 7 +ATOM 3622 H H6 . DC A 1 7 ? -3.160 3.900 19.587 1.00 0.00 ? 7 DC A H6 7 +ATOM 3623 P P . DU A 1 8 ? -6.136 2.199 25.128 1.00 0.00 ? 8 DU A P 7 +ATOM 3624 O OP1 . DU A 1 8 ? -7.138 1.152 25.414 1.00 0.00 ? 8 DU A OP1 7 +ATOM 3625 O OP2 . DU A 1 8 ? -6.467 3.629 25.290 1.00 0.00 ? 8 DU A OP2 7 +ATOM 3626 O "O5'" . DU A 1 8 ? -4.812 1.866 25.973 1.00 0.00 ? 8 DU A "O5'" 7 +ATOM 3627 C "C5'" . DU A 1 8 ? -4.421 0.521 26.194 1.00 0.00 ? 8 DU A "C5'" 7 +ATOM 3628 C "C4'" . DU A 1 8 ? -2.925 0.425 26.530 1.00 0.00 ? 8 DU A "C4'" 7 +ATOM 3629 O "O4'" . DU A 1 8 ? -2.143 0.524 25.333 1.00 0.00 ? 8 DU A "O4'" 7 +ATOM 3630 C "C3'" . DU A 1 8 ? -2.404 1.525 27.479 1.00 0.00 ? 8 DU A "C3'" 7 +ATOM 3631 O "O3'" . DU A 1 8 ? -1.509 0.935 28.436 1.00 0.00 ? 8 DU A "O3'" 7 +ATOM 3632 C "C2'" . DU A 1 8 ? -1.662 2.457 26.505 1.00 0.00 ? 8 DU A "C2'" 7 +ATOM 3633 C "C1'" . DU A 1 8 ? -1.067 1.418 25.558 1.00 0.00 ? 8 DU A "C1'" 7 +ATOM 3634 N N1 . DU A 1 8 ? -0.464 1.835 24.287 1.00 0.00 ? 8 DU A N1 7 +ATOM 3635 C C2 . DU A 1 8 ? 0.312 0.859 23.657 1.00 0.00 ? 8 DU A C2 7 +ATOM 3636 O O2 . DU A 1 8 ? 0.561 -0.241 24.127 1.00 0.00 ? 8 DU A O2 7 +ATOM 3637 N N3 . DU A 1 8 ? 0.868 1.198 22.451 1.00 0.00 ? 8 DU A N3 7 +ATOM 3638 C C4 . DU A 1 8 ? 0.727 2.411 21.825 1.00 0.00 ? 8 DU A C4 7 +ATOM 3639 O O4 . DU A 1 8 ? 1.311 2.594 20.763 1.00 0.00 ? 8 DU A O4 7 +ATOM 3640 C C5 . DU A 1 8 ? -0.109 3.371 22.520 1.00 0.00 ? 8 DU A C5 7 +ATOM 3641 C C6 . DU A 1 8 ? -0.685 3.075 23.714 1.00 0.00 ? 8 DU A C6 7 +ATOM 3642 H "H5'" . DU A 1 8 ? -4.599 -0.101 25.312 1.00 0.00 ? 8 DU A "H5'" 7 +ATOM 3643 H "H5''" . DU A 1 8 ? -5.000 0.118 27.026 1.00 0.00 ? 8 DU A "H5''" 7 +ATOM 3644 H "H4'" . DU A 1 8 ? -2.724 -0.563 26.968 1.00 0.00 ? 8 DU A "H4'" 7 +ATOM 3645 H "H3'" . DU A 1 8 ? -3.259 2.023 27.962 1.00 0.00 ? 8 DU A "H3'" 7 +ATOM 3646 H "H2'" . DU A 1 8 ? -2.415 3.078 26.007 1.00 0.00 ? 8 DU A "H2'" 7 +ATOM 3647 H "H2''" . DU A 1 8 ? -0.901 3.068 27.008 1.00 0.00 ? 8 DU A "H2''" 7 +ATOM 3648 H "H1'" . DU A 1 8 ? -0.328 0.860 26.150 1.00 0.00 ? 8 DU A "H1'" 7 +ATOM 3649 H H3 . DU A 1 8 ? 1.402 0.477 21.988 1.00 0.00 ? 8 DU A H3 7 +ATOM 3650 H H5 . DU A 1 8 ? -0.269 4.336 22.067 1.00 0.00 ? 8 DU A H5 7 +ATOM 3651 H H6 . DU A 1 8 ? -1.300 3.840 24.167 1.00 0.00 ? 8 DU A H6 7 +ATOM 3652 P P . DT A 1 9 ? -1.283 1.856 29.750 1.00 0.00 ? 9 DT A P 7 +ATOM 3653 O OP1 . DT A 1 9 ? -2.424 1.594 30.653 1.00 0.00 ? 9 DT A OP1 7 +ATOM 3654 O OP2 . DT A 1 9 ? -0.991 3.249 29.351 1.00 0.00 ? 9 DT A OP2 7 +ATOM 3655 O "O5'" . DT A 1 9 ? 0.033 1.211 30.438 1.00 0.00 ? 9 DT A "O5'" 7 +ATOM 3656 C "C5'" . DT A 1 9 ? 1.361 1.589 30.097 1.00 0.00 ? 9 DT A "C5'" 7 +ATOM 3657 C "C4'" . DT A 1 9 ? 1.790 1.202 28.667 1.00 0.00 ? 9 DT A "C4'" 7 +ATOM 3658 O "O4'" . DT A 1 9 ? 1.241 2.125 27.737 1.00 0.00 ? 9 DT A "O4'" 7 +ATOM 3659 C "C3'" . DT A 1 9 ? 3.322 1.261 28.489 1.00 0.00 ? 9 DT A "C3'" 7 +ATOM 3660 O "O3'" . DT A 1 9 ? 3.833 -0.051 28.350 1.00 0.00 ? 9 DT A "O3'" 7 +ATOM 3661 C "C2'" . DT A 1 9 ? 3.535 2.052 27.195 1.00 0.00 ? 9 DT A "C2'" 7 +ATOM 3662 C "C1'" . DT A 1 9 ? 2.138 2.345 26.672 1.00 0.00 ? 9 DT A "C1'" 7 +ATOM 3663 N N1 . DT A 1 9 ? 2.063 3.738 26.128 1.00 0.00 ? 9 DT A N1 7 +ATOM 3664 C C2 . DT A 1 9 ? 1.840 4.768 27.051 1.00 0.00 ? 9 DT A C2 7 +ATOM 3665 O O2 . DT A 1 9 ? 1.901 4.660 28.266 1.00 0.00 ? 9 DT A O2 7 +ATOM 3666 N N3 . DT A 1 9 ? 1.626 6.021 26.542 1.00 0.00 ? 9 DT A N3 7 +ATOM 3667 C C4 . DT A 1 9 ? 1.804 6.397 25.238 1.00 0.00 ? 9 DT A C4 7 +ATOM 3668 O O4 . DT A 1 9 ? 1.618 7.572 24.953 1.00 0.00 ? 9 DT A O4 7 +ATOM 3669 C C5 . DT A 1 9 ? 2.263 5.332 24.345 1.00 0.00 ? 9 DT A C5 7 +ATOM 3670 C C7 . DT A 1 9 ? 2.661 5.637 22.898 1.00 0.00 ? 9 DT A C7 7 +ATOM 3671 C C6 . DT A 1 9 ? 2.379 4.058 24.811 1.00 0.00 ? 9 DT A C6 7 +ATOM 3672 H "H5'" . DT A 1 9 ? 2.007 1.054 30.793 1.00 0.00 ? 9 DT A "H5'" 7 +ATOM 3673 H "H5''" . DT A 1 9 ? 1.511 2.659 30.262 1.00 0.00 ? 9 DT A "H5''" 7 +ATOM 3674 H "H4'" . DT A 1 9 ? 1.426 0.189 28.477 1.00 0.00 ? 9 DT A "H4'" 7 +ATOM 3675 H "H3'" . DT A 1 9 ? 3.782 1.785 29.332 1.00 0.00 ? 9 DT A "H3'" 7 +ATOM 3676 H "H2'" . DT A 1 9 ? 4.067 2.977 27.415 1.00 0.00 ? 9 DT A "H2'" 7 +ATOM 3677 H "H2''" . DT A 1 9 ? 4.107 1.509 26.447 1.00 0.00 ? 9 DT A "H2''" 7 +ATOM 3678 H "H1'" . DT A 1 9 ? 1.851 1.569 25.959 1.00 0.00 ? 9 DT A "H1'" 7 +ATOM 3679 H H3 . DT A 1 9 ? 1.399 6.735 27.203 1.00 0.00 ? 9 DT A H3 7 +ATOM 3680 H H71 . DT A 1 9 ? 2.624 4.751 22.261 1.00 0.00 ? 9 DT A H71 7 +ATOM 3681 H H72 . DT A 1 9 ? 1.981 6.376 22.471 1.00 0.00 ? 9 DT A H72 7 +ATOM 3682 H H73 . DT A 1 9 ? 3.674 6.042 22.872 1.00 0.00 ? 9 DT A H73 7 +ATOM 3683 H H6 . DT A 1 9 ? 2.783 3.347 24.103 1.00 0.00 ? 9 DT A H6 7 +ATOM 3684 P P . DT A 1 10 B 5.405 -0.358 28.472 1.00 0.00 ? 1 DT A P 7 +ATOM 3685 O OP1 . DT A 1 10 B 5.772 -0.285 29.901 1.00 0.00 ? 1 DT A OP1 7 +ATOM 3686 O OP2 . DT A 1 10 B 6.121 0.473 27.481 1.00 0.00 ? 1 DT A OP2 7 +ATOM 3687 O "O5'" . DT A 1 10 B 5.492 -1.888 27.985 1.00 0.00 ? 1 DT A "O5'" 7 +ATOM 3688 C "C5'" . DT A 1 10 B 5.029 -2.963 28.788 1.00 0.00 ? 1 DT A "C5'" 7 +ATOM 3689 C "C4'" . DT A 1 10 B 4.881 -4.253 27.958 1.00 0.00 ? 1 DT A "C4'" 7 +ATOM 3690 O "O4'" . DT A 1 10 B 3.887 -4.038 26.958 1.00 0.00 ? 1 DT A "O4'" 7 +ATOM 3691 C "C3'" . DT A 1 10 B 6.186 -4.671 27.244 1.00 0.00 ? 1 DT A "C3'" 7 +ATOM 3692 O "O3'" . DT A 1 10 B 6.385 -6.062 27.077 1.00 0.00 ? 1 DT A "O3'" 7 +ATOM 3693 C "C2'" . DT A 1 10 B 5.940 -4.119 25.847 1.00 0.00 ? 1 DT A "C2'" 7 +ATOM 3694 C "C1'" . DT A 1 10 B 4.433 -4.356 25.697 1.00 0.00 ? 1 DT A "C1'" 7 +ATOM 3695 N N1 . DT A 1 10 B 3.818 -3.471 24.671 1.00 0.00 ? 1 DT A N1 7 +ATOM 3696 C C2 . DT A 1 10 B 3.076 -4.060 23.649 1.00 0.00 ? 1 DT A C2 7 +ATOM 3697 O O2 . DT A 1 10 B 2.821 -5.254 23.584 1.00 0.00 ? 1 DT A O2 7 +ATOM 3698 N N3 . DT A 1 10 B 2.611 -3.230 22.659 1.00 0.00 ? 1 DT A N3 7 +ATOM 3699 C C4 . DT A 1 10 B 2.768 -1.864 22.618 1.00 0.00 ? 1 DT A C4 7 +ATOM 3700 O O4 . DT A 1 10 B 2.260 -1.238 21.695 1.00 0.00 ? 1 DT A O4 7 +ATOM 3701 C C5 . DT A 1 10 B 3.562 -1.296 23.709 1.00 0.00 ? 1 DT A C5 7 +ATOM 3702 C C7 . DT A 1 10 B 3.902 0.196 23.743 1.00 0.00 ? 1 DT A C7 7 +ATOM 3703 C C6 . DT A 1 10 B 4.032 -2.106 24.695 1.00 0.00 ? 1 DT A C6 7 +ATOM 3704 H "H5'" . DT A 1 10 B 4.052 -2.728 29.218 1.00 0.00 ? 1 DT A "H5'" 7 +ATOM 3705 H "H5''" . DT A 1 10 B 5.734 -3.137 29.604 1.00 0.00 ? 1 DT A "H5''" 7 +ATOM 3706 H "H4'" . DT A 1 10 B 4.545 -5.041 28.632 1.00 0.00 ? 1 DT A "H4'" 7 +ATOM 3707 H "H3'" . DT A 1 10 B 7.071 -4.216 27.696 1.00 0.00 ? 1 DT A "H3'" 7 +ATOM 3708 H "H2'" . DT A 1 10 B 6.224 -3.070 25.849 1.00 0.00 ? 1 DT A "H2'" 7 +ATOM 3709 H "H2''" . DT A 1 10 B 6.505 -4.633 25.074 1.00 0.00 ? 1 DT A "H2''" 7 +ATOM 3710 H "H1'" . DT A 1 10 B 4.265 -5.420 25.517 1.00 0.00 ? 1 DT A "H1'" 7 +ATOM 3711 H H3 . DT A 1 10 B 2.137 -3.673 21.881 1.00 0.00 ? 1 DT A H3 7 +ATOM 3712 H H71 . DT A 1 10 B 3.167 0.709 24.358 1.00 0.00 ? 1 DT A H71 7 +ATOM 3713 H H72 . DT A 1 10 B 4.897 0.373 24.159 1.00 0.00 ? 1 DT A H72 7 +ATOM 3714 H H73 . DT A 1 10 B 3.873 0.623 22.739 1.00 0.00 ? 1 DT A H73 7 +ATOM 3715 H H6 . DT A 1 10 B 4.591 -1.680 25.516 1.00 0.00 ? 1 DT A H6 7 +ATOM 3716 P P . DT A 1 11 B 6.641 -7.052 28.316 1.00 0.00 ? 2 DT A P 7 +ATOM 3717 O OP1 . DT A 1 11 B 7.049 -6.243 29.484 1.00 0.00 ? 2 DT A OP1 7 +ATOM 3718 O OP2 . DT A 1 11 B 7.492 -8.168 27.851 1.00 0.00 ? 2 DT A OP2 7 +ATOM 3719 O "O5'" . DT A 1 11 B 5.161 -7.620 28.571 1.00 0.00 ? 2 DT A "O5'" 7 +ATOM 3720 C "C5'" . DT A 1 11 B 4.463 -8.329 27.557 1.00 0.00 ? 2 DT A "C5'" 7 +ATOM 3721 C "C4'" . DT A 1 11 B 2.950 -8.119 27.717 1.00 0.00 ? 2 DT A "C4'" 7 +ATOM 3722 O "O4'" . DT A 1 11 B 2.642 -6.735 27.705 1.00 0.00 ? 2 DT A "O4'" 7 +ATOM 3723 C "C3'" . DT A 1 11 B 2.146 -8.684 26.536 1.00 0.00 ? 2 DT A "C3'" 7 +ATOM 3724 O "O3'" . DT A 1 11 B 1.577 -9.940 26.840 1.00 0.00 ? 2 DT A "O3'" 7 +ATOM 3725 C "C2'" . DT A 1 11 B 1.041 -7.641 26.334 1.00 0.00 ? 2 DT A "C2'" 7 +ATOM 3726 C "C1'" . DT A 1 11 B 1.268 -6.618 27.446 1.00 0.00 ? 2 DT A "C1'" 7 +ATOM 3727 N N1 . DT A 1 11 B 0.909 -5.203 27.167 1.00 0.00 ? 2 DT A N1 7 +ATOM 3728 C C2 . DT A 1 11 B 1.163 -4.305 28.206 1.00 0.00 ? 2 DT A C2 7 +ATOM 3729 O O2 . DT A 1 11 B 1.591 -4.620 29.308 1.00 0.00 ? 2 DT A O2 7 +ATOM 3730 N N3 . DT A 1 11 B 0.837 -2.995 27.991 1.00 0.00 ? 2 DT A N3 7 +ATOM 3731 C C4 . DT A 1 11 B 0.231 -2.494 26.869 1.00 0.00 ? 2 DT A C4 7 +ATOM 3732 O O4 . DT A 1 11 B -0.060 -1.309 26.876 1.00 0.00 ? 2 DT A O4 7 +ATOM 3733 C C5 . DT A 1 11 B -0.039 -3.473 25.812 1.00 0.00 ? 2 DT A C5 7 +ATOM 3734 C C7 . DT A 1 11 B -0.723 -3.074 24.503 1.00 0.00 ? 2 DT A C7 7 +ATOM 3735 C C6 . DT A 1 11 B 0.306 -4.776 25.995 1.00 0.00 ? 2 DT A C6 7 +ATOM 3736 H "H5'" . DT A 1 11 B 4.702 -9.392 27.621 1.00 0.00 ? 2 DT A "H5'" 7 +ATOM 3737 H "H5''" . DT A 1 11 B 4.742 -7.971 26.563 1.00 0.00 ? 2 DT A "H5''" 7 +ATOM 3738 H "H4'" . DT A 1 11 B 2.612 -8.556 28.660 1.00 0.00 ? 2 DT A "H4'" 7 +ATOM 3739 H "H3'" . DT A 1 11 B 2.787 -8.730 25.650 1.00 0.00 ? 2 DT A "H3'" 7 +ATOM 3740 H "H2'" . DT A 1 11 B 1.219 -7.216 25.352 1.00 0.00 ? 2 DT A "H2'" 7 +ATOM 3741 H "H2''" . DT A 1 11 B 0.031 -8.049 26.387 1.00 0.00 ? 2 DT A "H2''" 7 +ATOM 3742 H "H1'" . DT A 1 11 B 0.717 -6.956 28.329 1.00 0.00 ? 2 DT A "H1'" 7 +ATOM 3743 H H3 . DT A 1 11 B 1.053 -2.346 28.720 1.00 0.00 ? 2 DT A H3 7 +ATOM 3744 H H71 . DT A 1 11 B -1.418 -3.843 24.162 1.00 0.00 ? 2 DT A H71 7 +ATOM 3745 H H72 . DT A 1 11 B -1.285 -2.148 24.634 1.00 0.00 ? 2 DT A H72 7 +ATOM 3746 H H73 . DT A 1 11 B 0.027 -2.906 23.729 1.00 0.00 ? 2 DT A H73 7 +ATOM 3747 H H6 . DT A 1 11 B 0.066 -5.464 25.196 1.00 0.00 ? 2 DT A H6 7 +ATOM 3748 P P . DG A 1 12 B 1.089 -10.919 25.663 1.00 0.00 ? 3 DG A P 7 +ATOM 3749 O OP1 . DG A 1 12 B 0.317 -12.024 26.268 1.00 0.00 ? 3 DG A OP1 7 +ATOM 3750 O OP2 . DG A 1 12 B 2.263 -11.218 24.817 1.00 0.00 ? 3 DG A OP2 7 +ATOM 3751 O "O5'" . DG A 1 12 B 0.072 -10.005 24.807 1.00 0.00 ? 3 DG A "O5'" 7 +ATOM 3752 C "C5'" . DG A 1 12 B -0.027 -10.127 23.398 1.00 0.00 ? 3 DG A "C5'" 7 +ATOM 3753 C "C4'" . DG A 1 12 B -1.099 -9.173 22.836 1.00 0.00 ? 3 DG A "C4'" 7 +ATOM 3754 O "O4'" . DG A 1 12 B -0.650 -7.811 22.819 1.00 0.00 ? 3 DG A "O4'" 7 +ATOM 3755 C "C3'" . DG A 1 12 B -1.463 -9.536 21.378 1.00 0.00 ? 3 DG A "C3'" 7 +ATOM 3756 O "O3'" . DG A 1 12 B -2.868 -9.472 21.218 1.00 0.00 ? 3 DG A "O3'" 7 +ATOM 3757 C "C2'" . DG A 1 12 B -0.774 -8.408 20.619 1.00 0.00 ? 3 DG A "C2'" 7 +ATOM 3758 C "C1'" . DG A 1 12 B -1.046 -7.263 21.575 1.00 0.00 ? 3 DG A "C1'" 7 +ATOM 3759 N N9 . DG A 1 12 B -0.295 -6.053 21.191 1.00 0.00 ? 3 DG A N9 7 +ATOM 3760 C C8 . DG A 1 12 B 1.046 -5.909 20.954 1.00 0.00 ? 3 DG A C8 7 +ATOM 3761 N N7 . DG A 1 12 B 1.394 -4.719 20.542 1.00 0.00 ? 3 DG A N7 7 +ATOM 3762 C C5 . DG A 1 12 B 0.174 -4.038 20.439 1.00 0.00 ? 3 DG A C5 7 +ATOM 3763 C C6 . DG A 1 12 B -0.174 -2.744 19.918 1.00 0.00 ? 3 DG A C6 7 +ATOM 3764 O O6 . DG A 1 12 B 0.549 -1.903 19.404 1.00 0.00 ? 3 DG A O6 7 +ATOM 3765 N N1 . DG A 1 12 B -1.520 -2.442 19.996 1.00 0.00 ? 3 DG A N1 7 +ATOM 3766 C C2 . DG A 1 12 B -2.452 -3.331 20.407 1.00 0.00 ? 3 DG A C2 7 +ATOM 3767 N N2 . DG A 1 12 B -3.694 -3.030 20.159 1.00 0.00 ? 3 DG A N2 7 +ATOM 3768 N N3 . DG A 1 12 B -2.186 -4.568 20.809 1.00 0.00 ? 3 DG A N3 7 +ATOM 3769 C C4 . DG A 1 12 B -0.857 -4.857 20.831 1.00 0.00 ? 3 DG A C4 7 +ATOM 3770 H "H5'" . DG A 1 12 B -0.314 -11.155 23.166 1.00 0.00 ? 3 DG A "H5'" 7 +ATOM 3771 H "H5''" . DG A 1 12 B 0.931 -9.911 22.921 1.00 0.00 ? 3 DG A "H5''" 7 +ATOM 3772 H "H4'" . DG A 1 12 B -1.987 -9.256 23.466 1.00 0.00 ? 3 DG A "H4'" 7 +ATOM 3773 H "H3'" . DG A 1 12 B -1.080 -10.516 21.082 1.00 0.00 ? 3 DG A "H3'" 7 +ATOM 3774 H "H2'" . DG A 1 12 B 0.292 -8.613 20.563 1.00 0.00 ? 3 DG A "H2'" 7 +ATOM 3775 H "H2''" . DG A 1 12 B -1.160 -8.221 19.622 1.00 0.00 ? 3 DG A "H2''" 7 +ATOM 3776 H "H1'" . DG A 1 12 B -2.116 -7.053 21.592 1.00 0.00 ? 3 DG A "H1'" 7 +ATOM 3777 H H8 . DG A 1 12 B 1.746 -6.722 21.068 1.00 0.00 ? 3 DG A H8 7 +ATOM 3778 H H1 . DG A 1 12 B -1.806 -1.538 19.642 1.00 0.00 ? 3 DG A H1 7 +ATOM 3779 H H21 . DG A 1 12 B -3.936 -2.145 19.739 1.00 0.00 ? 3 DG A H21 7 +ATOM 3780 H H22 . DG A 1 12 B -4.300 -3.837 20.142 1.00 0.00 ? 3 DG A H22 7 +ATOM 3781 P P . DG A 1 13 B -3.583 -9.799 19.818 1.00 0.00 ? 4 DG A P 7 +ATOM 3782 O OP1 . DG A 1 13 B -4.810 -10.568 20.111 1.00 0.00 ? 4 DG A OP1 7 +ATOM 3783 O OP2 . DG A 1 13 B -2.566 -10.357 18.902 1.00 0.00 ? 4 DG A OP2 7 +ATOM 3784 O "O5'" . DG A 1 13 B -4.015 -8.340 19.273 1.00 0.00 ? 4 DG A "O5'" 7 +ATOM 3785 C "C5'" . DG A 1 13 B -5.044 -7.588 19.905 1.00 0.00 ? 4 DG A "C5'" 7 +ATOM 3786 C "C4'" . DG A 1 13 B -5.575 -6.445 19.016 1.00 0.00 ? 4 DG A "C4'" 7 +ATOM 3787 O "O4'" . DG A 1 13 B -4.650 -5.361 18.913 1.00 0.00 ? 4 DG A "O4'" 7 +ATOM 3788 C "C3'" . DG A 1 13 B -5.893 -6.920 17.584 1.00 0.00 ? 4 DG A "C3'" 7 +ATOM 3789 O "O3'" . DG A 1 13 B -7.126 -6.370 17.161 1.00 0.00 ? 4 DG A "O3'" 7 +ATOM 3790 C "C2'" . DG A 1 13 B -4.729 -6.296 16.827 1.00 0.00 ? 4 DG A "C2'" 7 +ATOM 3791 C "C1'" . DG A 1 13 B -4.585 -4.962 17.553 1.00 0.00 ? 4 DG A "C1'" 7 +ATOM 3792 N N9 . DG A 1 13 B -3.284 -4.320 17.269 1.00 0.00 ? 4 DG A N9 7 +ATOM 3793 C C8 . DG A 1 13 B -2.044 -4.900 17.302 1.00 0.00 ? 4 DG A C8 7 +ATOM 3794 N N7 . DG A 1 13 B -1.061 -4.093 17.017 1.00 0.00 ? 4 DG A N7 7 +ATOM 3795 C C5 . DG A 1 13 B -1.703 -2.876 16.755 1.00 0.00 ? 4 DG A C5 7 +ATOM 3796 C C6 . DG A 1 13 B -1.196 -1.585 16.381 1.00 0.00 ? 4 DG A C6 7 +ATOM 3797 O O6 . DG A 1 13 B -0.038 -1.242 16.180 1.00 0.00 ? 4 DG A O6 7 +ATOM 3798 N N1 . DG A 1 13 B -2.163 -0.614 16.216 1.00 0.00 ? 4 DG A N1 7 +ATOM 3799 C C2 . DG A 1 13 B -3.482 -0.858 16.388 1.00 0.00 ? 4 DG A C2 7 +ATOM 3800 N N2 . DG A 1 13 B -4.278 0.159 16.206 1.00 0.00 ? 4 DG A N2 7 +ATOM 3801 N N3 . DG A 1 13 B -4.004 -2.042 16.709 1.00 0.00 ? 4 DG A N3 7 +ATOM 3802 C C4 . DG A 1 13 B -3.065 -3.016 16.887 1.00 0.00 ? 4 DG A C4 7 +ATOM 3803 H "H5'" . DG A 1 13 B -4.680 -7.180 20.850 1.00 0.00 ? 4 DG A "H5'" 7 +ATOM 3804 H "H5''" . DG A 1 13 B -5.898 -8.235 20.118 1.00 0.00 ? 4 DG A "H5''" 7 +ATOM 3805 H "H4'" . DG A 1 13 B -6.484 -6.064 19.486 1.00 0.00 ? 4 DG A "H4'" 7 +ATOM 3806 H "H3'" . DG A 1 13 B -5.905 -8.010 17.506 1.00 0.00 ? 4 DG A "H3'" 7 +ATOM 3807 H "H2'" . DG A 1 13 B -3.855 -6.925 16.975 1.00 0.00 ? 4 DG A "H2'" 7 +ATOM 3808 H "H2''" . DG A 1 13 B -4.900 -6.201 15.765 1.00 0.00 ? 4 DG A "H2''" 7 +ATOM 3809 H "H1'" . DG A 1 13 B -5.422 -4.305 17.307 1.00 0.00 ? 4 DG A "H1'" 7 +ATOM 3810 H H8 . DG A 1 13 B -1.904 -5.943 17.536 1.00 0.00 ? 4 DG A H8 7 +ATOM 3811 H H1 . DG A 1 13 B -1.839 0.336 16.063 1.00 0.00 ? 4 DG A H1 7 +ATOM 3812 H H21 . DG A 1 13 B -3.905 1.084 16.041 1.00 0.00 ? 4 DG A H21 7 +ATOM 3813 H H22 . DG A 1 13 B -5.252 -0.030 16.353 1.00 0.00 ? 4 DG A H22 7 +ATOM 3814 P P . DA A 1 14 B -7.785 -6.751 15.745 1.00 0.00 ? 5 DA A P 7 +ATOM 3815 O OP1 . DA A 1 14 B -9.214 -7.050 15.977 1.00 0.00 ? 5 DA A OP1 7 +ATOM 3816 O OP2 . DA A 1 14 B -6.923 -7.744 15.070 1.00 0.00 ? 5 DA A OP2 7 +ATOM 3817 O "O5'" . DA A 1 14 B -7.685 -5.365 14.932 1.00 0.00 ? 5 DA A "O5'" 7 +ATOM 3818 C "C5'" . DA A 1 14 B -8.507 -4.261 15.275 1.00 0.00 ? 5 DA A "C5'" 7 +ATOM 3819 C "C4'" . DA A 1 14 B -8.319 -3.081 14.307 1.00 0.00 ? 5 DA A "C4'" 7 +ATOM 3820 O "O4'" . DA A 1 14 B -7.021 -2.510 14.436 1.00 0.00 ? 5 DA A "O4'" 7 +ATOM 3821 C "C3'" . DA A 1 14 B -8.523 -3.461 12.828 1.00 0.00 ? 5 DA A "C3'" 7 +ATOM 3822 O "O3'" . DA A 1 14 B -9.344 -2.507 12.181 1.00 0.00 ? 5 DA A "O3'" 7 +ATOM 3823 C "C2'" . DA A 1 14 B -7.090 -3.413 12.307 1.00 0.00 ? 5 DA A "C2'" 7 +ATOM 3824 C "C1'" . DA A 1 14 B -6.508 -2.273 13.141 1.00 0.00 ? 5 DA A "C1'" 7 +ATOM 3825 N N9 . DA A 1 14 B -5.033 -2.335 13.218 1.00 0.00 ? 5 DA A N9 7 +ATOM 3826 C C8 . DA A 1 14 B -4.230 -3.362 13.657 1.00 0.00 ? 5 DA A C8 7 +ATOM 3827 N N7 . DA A 1 14 B -2.952 -3.095 13.639 1.00 0.00 ? 5 DA A N7 7 +ATOM 3828 C C5 . DA A 1 14 B -2.911 -1.781 13.163 1.00 0.00 ? 5 DA A C5 7 +ATOM 3829 C C6 . DA A 1 14 B -1.887 -0.845 12.896 1.00 0.00 ? 5 DA A C6 7 +ATOM 3830 N N6 . DA A 1 14 B -0.600 -1.063 13.086 1.00 0.00 ? 5 DA A N6 7 +ATOM 3831 N N1 . DA A 1 14 B -2.176 0.374 12.430 1.00 0.00 ? 5 DA A N1 7 +ATOM 3832 C C2 . DA A 1 14 B -3.451 0.692 12.245 1.00 0.00 ? 5 DA A C2 7 +ATOM 3833 N N3 . DA A 1 14 B -4.511 -0.080 12.448 1.00 0.00 ? 5 DA A N3 7 +ATOM 3834 C C4 . DA A 1 14 B -4.174 -1.313 12.914 1.00 0.00 ? 5 DA A C4 7 +ATOM 3835 H "H5'" . DA A 1 14 B -8.280 -3.926 16.289 1.00 0.00 ? 5 DA A "H5'" 7 +ATOM 3836 H "H5''" . DA A 1 14 B -9.558 -4.556 15.234 1.00 0.00 ? 5 DA A "H5''" 7 +ATOM 3837 H "H4'" . DA A 1 14 B -9.048 -2.316 14.585 1.00 0.00 ? 5 DA A "H4'" 7 +ATOM 3838 H "H3'" . DA A 1 14 B -8.953 -4.465 12.744 1.00 0.00 ? 5 DA A "H3'" 7 +ATOM 3839 H "H2'" . DA A 1 14 B -6.609 -4.365 12.528 1.00 0.00 ? 5 DA A "H2'" 7 +ATOM 3840 H "H2''" . DA A 1 14 B -7.037 -3.212 11.237 1.00 0.00 ? 5 DA A "H2''" 7 +ATOM 3841 H "H1'" . DA A 1 14 B -6.871 -1.306 12.776 1.00 0.00 ? 5 DA A "H1'" 7 +ATOM 3842 H H8 . DA A 1 14 B -4.603 -4.318 13.987 1.00 0.00 ? 5 DA A H8 7 +ATOM 3843 H H61 . DA A 1 14 B 0.041 -0.309 12.882 1.00 0.00 ? 5 DA A H61 7 +ATOM 3844 H H62 . DA A 1 14 B -0.301 -1.929 13.501 1.00 0.00 ? 5 DA A H62 7 +ATOM 3845 H H2 . DA A 1 14 B -3.658 1.676 11.858 1.00 0.00 ? 5 DA A H2 7 +ATOM 3846 P P . DT A 1 15 B -9.929 -2.761 10.703 1.00 0.00 ? 6 DT A P 7 +ATOM 3847 O OP1 . DT A 1 15 B -11.359 -2.386 10.709 1.00 0.00 ? 6 DT A OP1 7 +ATOM 3848 O OP2 . DT A 1 15 B -9.520 -4.111 10.258 1.00 0.00 ? 6 DT A OP2 7 +ATOM 3849 O "O5'" . DT A 1 15 B -9.127 -1.683 9.823 1.00 0.00 ? 6 DT A "O5'" 7 +ATOM 3850 C "C5'" . DT A 1 15 B -9.490 -0.311 9.835 1.00 0.00 ? 6 DT A "C5'" 7 +ATOM 3851 C "C4'" . DT A 1 15 B -8.429 0.546 9.128 1.00 0.00 ? 6 DT A "C4'" 7 +ATOM 3852 O "O4'" . DT A 1 15 B -7.171 0.386 9.767 1.00 0.00 ? 6 DT A "O4'" 7 +ATOM 3853 C "C3'" . DT A 1 15 B -8.214 0.195 7.646 1.00 0.00 ? 6 DT A "C3'" 7 +ATOM 3854 O "O3'" . DT A 1 15 B -8.954 1.043 6.793 1.00 0.00 ? 6 DT A "O3'" 7 +ATOM 3855 C "C2'" . DT A 1 15 B -6.706 0.417 7.476 1.00 0.00 ? 6 DT A "C2'" 7 +ATOM 3856 C "C1'" . DT A 1 15 B -6.189 0.799 8.852 1.00 0.00 ? 6 DT A "C1'" 7 +ATOM 3857 N N1 . DT A 1 15 B -4.891 0.135 9.103 1.00 0.00 ? 6 DT A N1 7 +ATOM 3858 C C2 . DT A 1 15 B -3.743 0.888 8.900 1.00 0.00 ? 6 DT A C2 7 +ATOM 3859 O O2 . DT A 1 15 B -3.747 2.069 8.586 1.00 0.00 ? 6 DT A O2 7 +ATOM 3860 N N3 . DT A 1 15 B -2.551 0.242 9.060 1.00 0.00 ? 6 DT A N3 7 +ATOM 3861 C C4 . DT A 1 15 B -2.385 -1.080 9.382 1.00 0.00 ? 6 DT A C4 7 +ATOM 3862 O O4 . DT A 1 15 B -1.245 -1.501 9.519 1.00 0.00 ? 6 DT A O4 7 +ATOM 3863 C C5 . DT A 1 15 B -3.625 -1.843 9.538 1.00 0.00 ? 6 DT A C5 7 +ATOM 3864 C C7 . DT A 1 15 B -3.596 -3.339 9.855 1.00 0.00 ? 6 DT A C7 7 +ATOM 3865 C C6 . DT A 1 15 B -4.822 -1.212 9.397 1.00 0.00 ? 6 DT A C6 7 +ATOM 3866 H "H5'" . DT A 1 15 B -9.580 0.047 10.863 1.00 0.00 ? 6 DT A "H5'" 7 +ATOM 3867 H "H5''" . DT A 1 15 B -10.449 -0.177 9.331 1.00 0.00 ? 6 DT A "H5''" 7 +ATOM 3868 H "H4'" . DT A 1 15 B -8.716 1.597 9.205 1.00 0.00 ? 6 DT A "H4'" 7 +ATOM 3869 H "H3'" . DT A 1 15 B -8.483 -0.851 7.475 1.00 0.00 ? 6 DT A "H3'" 7 +ATOM 3870 H "H2'" . DT A 1 15 B -6.264 -0.502 7.090 1.00 0.00 ? 6 DT A "H2'" 7 +ATOM 3871 H "H2''" . DT A 1 15 B -6.435 1.265 6.851 1.00 0.00 ? 6 DT A "H2''" 7 +ATOM 3872 H "H1'" . DT A 1 15 B -6.138 1.889 8.901 1.00 0.00 ? 6 DT A "H1'" 7 +ATOM 3873 H H3 . DT A 1 15 B -1.727 0.823 8.981 1.00 0.00 ? 6 DT A H3 7 +ATOM 3874 H H71 . DT A 1 15 B -3.041 -3.867 9.078 1.00 0.00 ? 6 DT A H71 7 +ATOM 3875 H H72 . DT A 1 15 B -3.093 -3.503 10.809 1.00 0.00 ? 6 DT A H72 7 +ATOM 3876 H H73 . DT A 1 15 B -4.597 -3.771 9.918 1.00 0.00 ? 6 DT A H73 7 +ATOM 3877 H H6 . DT A 1 15 B -5.740 -1.770 9.506 1.00 0.00 ? 6 DT A H6 7 +ATOM 3878 P P . DC A 1 16 B -9.211 0.674 5.242 1.00 0.00 ? 7 DC A P 7 +ATOM 3879 O OP1 . DC A 1 16 B -10.671 0.579 5.035 1.00 0.00 ? 7 DC A OP1 7 +ATOM 3880 O OP2 . DC A 1 16 B -8.335 -0.459 4.872 1.00 0.00 ? 7 DC A OP2 7 +ATOM 3881 O "O5'" . DC A 1 16 B -8.688 1.965 4.432 1.00 0.00 ? 7 DC A "O5'" 7 +ATOM 3882 C "C5'" . DC A 1 16 B -8.959 3.285 4.879 1.00 0.00 ? 7 DC A "C5'" 7 +ATOM 3883 C "C4'" . DC A 1 16 B -7.641 4.044 5.124 1.00 0.00 ? 7 DC A "C4'" 7 +ATOM 3884 O "O4'" . DC A 1 16 B -6.704 3.195 5.783 1.00 0.00 ? 7 DC A "O4'" 7 +ATOM 3885 C "C3'" . DC A 1 16 B -6.970 4.555 3.839 1.00 0.00 ? 7 DC A "C3'" 7 +ATOM 3886 O "O3'" . DC A 1 16 B -6.461 5.858 4.050 1.00 0.00 ? 7 DC A "O3'" 7 +ATOM 3887 C "C2'" . DC A 1 16 B -5.857 3.533 3.666 1.00 0.00 ? 7 DC A "C2'" 7 +ATOM 3888 C "C1'" . DC A 1 16 B -5.465 3.242 5.112 1.00 0.00 ? 7 DC A "C1'" 7 +ATOM 3889 N N1 . DC A 1 16 B -4.641 2.014 5.181 1.00 0.00 ? 7 DC A N1 7 +ATOM 3890 C C2 . DC A 1 16 B -3.305 2.084 5.583 1.00 0.00 ? 7 DC A C2 7 +ATOM 3891 O O2 . DC A 1 16 B -2.732 3.154 5.744 1.00 0.00 ? 7 DC A O2 7 +ATOM 3892 N N3 . DC A 1 16 B -2.591 0.941 5.774 1.00 0.00 ? 7 DC A N3 7 +ATOM 3893 C C4 . DC A 1 16 B -3.178 -0.216 5.523 1.00 0.00 ? 7 DC A C4 7 +ATOM 3894 N N4 . DC A 1 16 B -2.492 -1.285 5.811 1.00 0.00 ? 7 DC A N4 7 +ATOM 3895 C C5 . DC A 1 16 B -4.480 -0.328 4.960 1.00 0.00 ? 7 DC A C5 7 +ATOM 3896 C C6 . DC A 1 16 B -5.174 0.818 4.804 1.00 0.00 ? 7 DC A C6 7 +ATOM 3897 H "H5'" . DC A 1 16 B -9.537 3.303 5.806 1.00 0.00 ? 7 DC A "H5'" 7 +ATOM 3898 H "H5''" . DC A 1 16 B -9.553 3.803 4.124 1.00 0.00 ? 7 DC A "H5''" 7 +ATOM 3899 H "H4'" . DC A 1 16 B -7.865 4.896 5.770 1.00 0.00 ? 7 DC A "H4'" 7 +ATOM 3900 H "H3'" . DC A 1 16 B -7.676 4.523 3.005 1.00 0.00 ? 7 DC A "H3'" 7 +ATOM 3901 H "H2'" . DC A 1 16 B -6.283 2.667 3.162 1.00 0.00 ? 7 DC A "H2'" 7 +ATOM 3902 H "H2''" . DC A 1 16 B -5.007 3.852 3.089 1.00 0.00 ? 7 DC A "H2''" 7 +ATOM 3903 H "H1'" . DC A 1 16 B -4.980 4.024 5.660 1.00 0.00 ? 7 DC A "H1'" 7 +ATOM 3904 H H41 . DC A 1 16 B -1.570 -1.095 6.172 1.00 0.00 ? 7 DC A H41 7 +ATOM 3905 H H42 . DC A 1 16 B -2.874 -2.201 5.683 1.00 0.00 ? 7 DC A H42 7 +ATOM 3906 H H5 . DC A 1 16 B -4.960 -1.249 4.689 1.00 0.00 ? 7 DC A H5 7 +ATOM 3907 H H6 . DC A 1 16 B -6.188 0.808 4.447 1.00 0.00 ? 7 DC A H6 7 +ATOM 3908 P P . DC A 1 17 B -6.060 6.810 2.821 1.00 0.00 ? 8 DC A P 7 +ATOM 3909 O OP1 . DC A 1 17 B -6.087 8.208 3.301 1.00 0.00 ? 8 DC A OP1 7 +ATOM 3910 O OP2 . DC A 1 17 B -6.876 6.421 1.651 1.00 0.00 ? 8 DC A OP2 7 +ATOM 3911 O "O5'" . DC A 1 17 B -4.535 6.400 2.530 1.00 0.00 ? 8 DC A "O5'" 7 +ATOM 3912 C "C5'" . DC A 1 17 B -3.452 7.123 3.093 1.00 0.00 ? 8 DC A "C5'" 7 +ATOM 3913 C "C4'" . DC A 1 17 B -2.106 6.510 2.675 1.00 0.00 ? 8 DC A "C4'" 7 +ATOM 3914 O "O4'" . DC A 1 17 B -1.906 5.239 3.283 1.00 0.00 ? 8 DC A "O4'" 7 +ATOM 3915 C "C3'" . DC A 1 17 B -1.989 6.289 1.155 1.00 0.00 ? 8 DC A "C3'" 7 +ATOM 3916 O "O3'" . DC A 1 17 B -1.276 7.351 0.551 1.00 0.00 ? 8 DC A "O3'" 7 +ATOM 3917 C "C2'" . DC A 1 17 B -1.243 4.955 1.095 1.00 0.00 ? 8 DC A "C2'" 7 +ATOM 3918 C "C1'" . DC A 1 17 B -0.906 4.589 2.535 1.00 0.00 ? 8 DC A "C1'" 7 +ATOM 3919 N N1 . DC A 1 17 B -1.022 3.115 2.678 1.00 0.00 ? 8 DC A N1 7 +ATOM 3920 C C2 . DC A 1 17 B 0.136 2.384 2.925 1.00 0.00 ? 8 DC A C2 7 +ATOM 3921 O O2 . DC A 1 17 B 1.224 2.935 3.013 1.00 0.00 ? 8 DC A O2 7 +ATOM 3922 N N3 . DC A 1 17 B 0.086 1.033 3.056 1.00 0.00 ? 8 DC A N3 7 +ATOM 3923 C C4 . DC A 1 17 B -1.078 0.431 2.897 1.00 0.00 ? 8 DC A C4 7 +ATOM 3924 N N4 . DC A 1 17 B -1.071 -0.863 3.044 1.00 0.00 ? 8 DC A N4 7 +ATOM 3925 C C5 . DC A 1 17 B -2.274 1.109 2.524 1.00 0.00 ? 8 DC A C5 7 +ATOM 3926 C C6 . DC A 1 17 B -2.208 2.458 2.428 1.00 0.00 ? 8 DC A C6 7 +ATOM 3927 H "H5'" . DC A 1 17 B -3.519 7.127 4.183 1.00 0.00 ? 8 DC A "H5'" 7 +ATOM 3928 H "H5''" . DC A 1 17 B -3.479 8.155 2.735 1.00 0.00 ? 8 DC A "H5''" 7 +ATOM 3929 H "H4'" . DC A 1 17 B -1.302 7.169 3.012 1.00 0.00 ? 8 DC A "H4'" 7 +ATOM 3930 H "H3'" . DC A 1 17 B -2.968 6.185 0.683 1.00 0.00 ? 8 DC A "H3'" 7 +ATOM 3931 H "H2'" . DC A 1 17 B -1.903 4.262 0.580 1.00 0.00 ? 8 DC A "H2'" 7 +ATOM 3932 H "H2''" . DC A 1 17 B -0.336 4.924 0.544 1.00 0.00 ? 8 DC A "H2''" 7 +ATOM 3933 H "H1'" . DC A 1 17 B 0.080 5.041 2.813 1.00 0.00 ? 8 DC A "H1'" 7 +ATOM 3934 H H41 . DC A 1 17 B -0.191 -1.251 3.350 1.00 0.00 ? 8 DC A H41 7 +ATOM 3935 H H42 . DC A 1 17 B -1.921 -1.386 2.983 1.00 0.00 ? 8 DC A H42 7 +ATOM 3936 H H5 . DC A 1 17 B -3.200 0.595 2.324 1.00 0.00 ? 8 DC A H5 7 +ATOM 3937 H H6 . DC A 1 17 B -3.092 3.002 2.099 1.00 0.00 ? 8 DC A H6 7 +ATOM 3938 P P . DT A 1 18 B -0.848 7.319 -0.999 1.00 0.00 ? 9 DT A P 7 +ATOM 3939 O OP1 . DT A 1 18 B -0.983 8.675 -1.571 1.00 0.00 ? 9 DT A OP1 7 +ATOM 3940 O OP2 . DT A 1 18 B -1.492 6.164 -1.664 1.00 0.00 ? 9 DT A OP2 7 +ATOM 3941 O "O5'" . DT A 1 18 B 0.715 6.993 -0.874 1.00 0.00 ? 9 DT A "O5'" 7 +ATOM 3942 C "C5'" . DT A 1 18 B 1.502 6.680 -2.006 1.00 0.00 ? 9 DT A "C5'" 7 +ATOM 3943 C "C4'" . DT A 1 18 B 2.863 6.128 -1.543 1.00 0.00 ? 9 DT A "C4'" 7 +ATOM 3944 O "O4'" . DT A 1 18 B 2.669 5.044 -0.636 1.00 0.00 ? 9 DT A "O4'" 7 +ATOM 3945 C "C3'" . DT A 1 18 B 3.664 5.556 -2.721 1.00 0.00 ? 9 DT A "C3'" 7 +ATOM 3946 O "O3'" . DT A 1 18 B 5.056 5.588 -2.487 1.00 0.00 ? 9 DT A "O3'" 7 +ATOM 3947 C "C2'" . DT A 1 18 B 3.192 4.112 -2.741 1.00 0.00 ? 9 DT A "C2'" 7 +ATOM 3948 C "C1'" . DT A 1 18 B 3.017 3.823 -1.256 1.00 0.00 ? 9 DT A "C1'" 7 +ATOM 3949 N N1 . DT A 1 18 B 1.959 2.821 -0.978 1.00 0.00 ? 9 DT A N1 7 +ATOM 3950 C C2 . DT A 1 18 B 2.307 1.685 -0.253 1.00 0.00 ? 9 DT A C2 7 +ATOM 3951 O O2 . DT A 1 18 B 3.434 1.442 0.152 1.00 0.00 ? 9 DT A O2 7 +ATOM 3952 N N3 . DT A 1 18 B 1.312 0.774 -0.023 1.00 0.00 ? 9 DT A N3 7 +ATOM 3953 C C4 . DT A 1 18 B 0.018 0.860 -0.464 1.00 0.00 ? 9 DT A C4 7 +ATOM 3954 O O4 . DT A 1 18 B -0.736 -0.073 -0.212 1.00 0.00 ? 9 DT A O4 7 +ATOM 3955 C C5 . DT A 1 18 B -0.297 2.076 -1.216 1.00 0.00 ? 9 DT A C5 7 +ATOM 3956 C C7 . DT A 1 18 B -1.673 2.329 -1.826 1.00 0.00 ? 9 DT A C7 7 +ATOM 3957 C C6 . DT A 1 18 B 0.671 2.999 -1.439 1.00 0.00 ? 9 DT A C6 7 +ATOM 3958 H "H5'" . DT A 1 18 B 1.659 7.580 -2.603 1.00 0.00 ? 9 DT A "H5'" 7 +ATOM 3959 H "H5''" . DT A 1 18 B 1.001 5.939 -2.630 1.00 0.00 ? 9 DT A "H5''" 7 +ATOM 3960 H "H4'" . DT A 1 18 B 3.410 6.938 -1.055 1.00 0.00 ? 9 DT A "H4'" 7 +ATOM 3961 H "H3'" . DT A 1 18 B 3.424 6.059 -3.659 1.00 0.00 ? 9 DT A "H3'" 7 +ATOM 3962 H "H2'" . DT A 1 18 B 2.292 4.046 -3.316 1.00 0.00 ? 9 DT A "H2'" 7 +ATOM 3963 H "H2''" . DT A 1 18 B 3.889 3.419 -3.183 1.00 0.00 ? 9 DT A "H2''" 7 +ATOM 3964 H "H1'" . DT A 1 18 B 3.998 3.521 -0.914 1.00 0.00 ? 9 DT A "H1'" 7 +ATOM 3965 H H3 . DT A 1 18 B 1.591 -0.092 0.417 1.00 0.00 ? 9 DT A H3 7 +ATOM 3966 H H71 . DT A 1 18 B -1.678 2.023 -2.873 1.00 0.00 ? 9 DT A H71 7 +ATOM 3967 H H72 . DT A 1 18 B -2.428 1.765 -1.293 1.00 0.00 ? 9 DT A H72 7 +ATOM 3968 H H73 . DT A 1 18 B -1.939 3.389 -1.769 1.00 0.00 ? 9 DT A H73 7 +ATOM 3969 H H6 . DT A 1 18 B 0.409 3.880 -2.001 1.00 0.00 ? 9 DT A H6 7 +ATOM 3970 O "O5'" . DA A 1 1 ? 8.458 -7.132 0.147 1.00 0.00 ? 1 DA A "O5'" 8 +ATOM 3971 C "C5'" . DA A 1 1 ? 7.139 -6.644 -0.008 1.00 0.00 ? 1 DA A "C5'" 8 +ATOM 3972 C "C4'" . DA A 1 1 ? 6.837 -5.523 0.995 1.00 0.00 ? 1 DA A "C4'" 8 +ATOM 3973 O "O4'" . DA A 1 1 ? 5.495 -5.056 0.873 1.00 0.00 ? 1 DA A "O4'" 8 +ATOM 3974 C "C3'" . DA A 1 1 ? 7.018 -5.953 2.466 1.00 0.00 ? 1 DA A "C3'" 8 +ATOM 3975 O "O3'" . DA A 1 1 ? 7.833 -5.062 3.190 1.00 0.00 ? 1 DA A "O3'" 8 +ATOM 3976 C "C2'" . DA A 1 1 ? 5.596 -5.852 2.990 1.00 0.00 ? 1 DA A "C2'" 8 +ATOM 3977 C "C1'" . DA A 1 1 ? 5.082 -4.672 2.171 1.00 0.00 ? 1 DA A "C1'" 8 +ATOM 3978 N N9 . DA A 1 1 ? 3.616 -4.522 2.230 1.00 0.00 ? 1 DA A N9 8 +ATOM 3979 C C8 . DA A 1 1 ? 2.665 -5.408 2.676 1.00 0.00 ? 1 DA A C8 8 +ATOM 3980 N N7 . DA A 1 1 ? 1.434 -5.011 2.506 1.00 0.00 ? 1 DA A N7 8 +ATOM 3981 C C5 . DA A 1 1 ? 1.590 -3.747 1.924 1.00 0.00 ? 1 DA A C5 8 +ATOM 3982 C C6 . DA A 1 1 ? 0.709 -2.740 1.469 1.00 0.00 ? 1 DA A C6 8 +ATOM 3983 N N6 . DA A 1 1 ? -0.606 -2.835 1.494 1.00 0.00 ? 1 DA A N6 8 +ATOM 3984 N N1 . DA A 1 1 ? 1.170 -1.614 0.912 1.00 0.00 ? 1 DA A N1 8 +ATOM 3985 C C2 . DA A 1 1 ? 2.486 -1.450 0.834 1.00 0.00 ? 1 DA A C2 8 +ATOM 3986 N N3 . DA A 1 1 ? 3.431 -2.299 1.225 1.00 0.00 ? 1 DA A N3 8 +ATOM 3987 C C4 . DA A 1 1 ? 2.915 -3.440 1.764 1.00 0.00 ? 1 DA A C4 8 +ATOM 3988 H "H5'" . DA A 1 1 ? 6.439 -7.468 0.133 1.00 0.00 ? 1 DA A "H5'" 8 +ATOM 3989 H "H5''" . DA A 1 1 ? 7.025 -6.257 -1.022 1.00 0.00 ? 1 DA A "H5''" 8 +ATOM 3990 H "H4'" . DA A 1 1 ? 7.496 -4.680 0.773 1.00 0.00 ? 1 DA A "H4'" 8 +ATOM 3991 H "H3'" . DA A 1 1 ? 7.353 -6.988 2.576 1.00 0.00 ? 1 DA A "H3'" 8 +ATOM 3992 H "H2'" . DA A 1 1 ? 5.071 -6.775 2.741 1.00 0.00 ? 1 DA A "H2'" 8 +ATOM 3993 H "H2''" . DA A 1 1 ? 5.556 -5.665 4.064 1.00 0.00 ? 1 DA A "H2''" 8 +ATOM 3994 H "H1'" . DA A 1 1 ? 5.579 -3.742 2.453 1.00 0.00 ? 1 DA A "H1'" 8 +ATOM 3995 H H8 . DA A 1 1 ? 2.902 -6.367 3.113 1.00 0.00 ? 1 DA A H8 8 +ATOM 3996 H H61 . DA A 1 1 ? -1.133 -2.056 1.122 1.00 0.00 ? 1 DA A H61 8 +ATOM 3997 H H62 . DA A 1 1 ? -1.032 -3.660 1.878 1.00 0.00 ? 1 DA A H62 8 +ATOM 3998 H H2 . DA A 1 1 ? 2.827 -0.526 0.394 1.00 0.00 ? 1 DA A H2 8 +ATOM 3999 H "HO5'" . DA A 1 1 ? 9.001 -6.466 0.610 1.00 0.00 ? 1 DA A "HO5'" 8 +ATOM 4000 P P . DG A 1 2 ? 9.424 -5.187 3.107 1.00 0.00 ? 2 DG A P 8 +ATOM 4001 O OP1 . DG A 1 2 ? 9.770 -5.447 1.689 1.00 0.00 ? 2 DG A OP1 8 +ATOM 4002 O OP2 . DG A 1 2 ? 9.855 -6.135 4.153 1.00 0.00 ? 2 DG A OP2 8 +ATOM 4003 O "O5'" . DG A 1 2 ? 9.890 -3.704 3.509 1.00 0.00 ? 2 DG A "O5'" 8 +ATOM 4004 C "C5'" . DG A 1 2 ? 10.139 -2.700 2.540 1.00 0.00 ? 2 DG A "C5'" 8 +ATOM 4005 C "C4'" . DG A 1 2 ? 9.793 -1.296 3.068 1.00 0.00 ? 2 DG A "C4'" 8 +ATOM 4006 O "O4'" . DG A 1 2 ? 8.379 -1.115 3.053 1.00 0.00 ? 2 DG A "O4'" 8 +ATOM 4007 C "C3'" . DG A 1 2 ? 10.274 -1.012 4.506 1.00 0.00 ? 2 DG A "C3'" 8 +ATOM 4008 O "O3'" . DG A 1 2 ? 10.636 0.358 4.570 1.00 0.00 ? 2 DG A "O3'" 8 +ATOM 4009 C "C2'" . DG A 1 2 ? 9.015 -1.328 5.304 1.00 0.00 ? 2 DG A "C2'" 8 +ATOM 4010 C "C1'" . DG A 1 2 ? 7.959 -0.774 4.359 1.00 0.00 ? 2 DG A "C1'" 8 +ATOM 4011 N N9 . DG A 1 2 ? 6.600 -1.297 4.585 1.00 0.00 ? 2 DG A N9 8 +ATOM 4012 C C8 . DG A 1 2 ? 6.199 -2.569 4.905 1.00 0.00 ? 2 DG A C8 8 +ATOM 4013 N N7 . DG A 1 2 ? 4.907 -2.760 4.830 1.00 0.00 ? 2 DG A N7 8 +ATOM 4014 C C5 . DG A 1 2 ? 4.415 -1.512 4.423 1.00 0.00 ? 2 DG A C5 8 +ATOM 4015 C C6 . DG A 1 2 ? 3.090 -1.026 4.157 1.00 0.00 ? 2 DG A C6 8 +ATOM 4016 O O6 . DG A 1 2 ? 2.026 -1.630 4.208 1.00 0.00 ? 2 DG A O6 8 +ATOM 4017 N N1 . DG A 1 2 ? 3.031 0.304 3.773 1.00 0.00 ? 2 DG A N1 8 +ATOM 4018 C C2 . DG A 1 2 ? 4.135 1.073 3.626 1.00 0.00 ? 2 DG A C2 8 +ATOM 4019 N N2 . DG A 1 2 ? 3.953 2.335 3.370 1.00 0.00 ? 2 DG A N2 8 +ATOM 4020 N N3 . DG A 1 2 ? 5.375 0.665 3.847 1.00 0.00 ? 2 DG A N3 8 +ATOM 4021 C C4 . DG A 1 2 ? 5.455 -0.635 4.240 1.00 0.00 ? 2 DG A C4 8 +ATOM 4022 H "H5'" . DG A 1 2 ? 9.562 -2.858 1.625 1.00 0.00 ? 2 DG A "H5'" 8 +ATOM 4023 H "H5''" . DG A 1 2 ? 11.199 -2.738 2.283 1.00 0.00 ? 2 DG A "H5''" 8 +ATOM 4024 H "H4'" . DG A 1 2 ? 10.234 -0.576 2.376 1.00 0.00 ? 2 DG A "H4'" 8 +ATOM 4025 H "H3'" . DG A 1 2 ? 11.101 -1.658 4.804 1.00 0.00 ? 2 DG A "H3'" 8 +ATOM 4026 H "H2'" . DG A 1 2 ? 8.943 -2.407 5.416 1.00 0.00 ? 2 DG A "H2'" 8 +ATOM 4027 H "H2''" . DG A 1 2 ? 8.989 -0.867 6.289 1.00 0.00 ? 2 DG A "H2''" 8 +ATOM 4028 H "H1'" . DG A 1 2 ? 7.956 0.314 4.447 1.00 0.00 ? 2 DG A "H1'" 8 +ATOM 4029 H H8 . DG A 1 2 ? 6.891 -3.354 5.175 1.00 0.00 ? 2 DG A H8 8 +ATOM 4030 H H1 . DG A 1 2 ? 2.124 0.717 3.591 1.00 0.00 ? 2 DG A H1 8 +ATOM 4031 H H21 . DG A 1 2 ? 3.026 2.724 3.300 1.00 0.00 ? 2 DG A H21 8 +ATOM 4032 H H22 . DG A 1 2 ? 4.788 2.890 3.397 1.00 0.00 ? 2 DG A H22 8 +ATOM 4033 P P . DG A 1 3 ? 10.966 1.121 5.946 1.00 0.00 ? 3 DG A P 8 +ATOM 4034 O OP1 . DG A 1 3 ? 11.999 2.137 5.654 1.00 0.00 ? 3 DG A OP1 8 +ATOM 4035 O OP2 . DG A 1 3 ? 11.202 0.112 7.000 1.00 0.00 ? 3 DG A OP2 8 +ATOM 4036 O "O5'" . DG A 1 3 ? 9.571 1.885 6.242 1.00 0.00 ? 3 DG A "O5'" 8 +ATOM 4037 C "C5'" . DG A 1 3 ? 9.140 2.945 5.399 1.00 0.00 ? 3 DG A "C5'" 8 +ATOM 4038 C "C4'" . DG A 1 3 ? 7.837 3.628 5.855 1.00 0.00 ? 3 DG A "C4'" 8 +ATOM 4039 O "O4'" . DG A 1 3 ? 6.673 2.817 5.722 1.00 0.00 ? 3 DG A "O4'" 8 +ATOM 4040 C "C3'" . DG A 1 3 ? 7.850 4.172 7.295 1.00 0.00 ? 3 DG A "C3'" 8 +ATOM 4041 O "O3'" . DG A 1 3 ? 7.596 5.563 7.300 1.00 0.00 ? 3 DG A "O3'" 8 +ATOM 4042 C "C2'" . DG A 1 3 ? 6.700 3.386 7.919 1.00 0.00 ? 3 DG A "C2'" 8 +ATOM 4043 C "C1'" . DG A 1 3 ? 5.760 3.202 6.736 1.00 0.00 ? 3 DG A "C1'" 8 +ATOM 4044 N N9 . DG A 1 3 ? 4.783 2.110 6.945 1.00 0.00 ? 3 DG A N9 8 +ATOM 4045 C C8 . DG A 1 3 ? 5.042 0.809 7.291 1.00 0.00 ? 3 DG A C8 8 +ATOM 4046 N N7 . DG A 1 3 ? 3.996 0.032 7.301 1.00 0.00 ? 3 DG A N7 8 +ATOM 4047 C C5 . DG A 1 3 ? 2.952 0.888 6.943 1.00 0.00 ? 3 DG A C5 8 +ATOM 4048 C C6 . DG A 1 3 ? 1.549 0.650 6.750 1.00 0.00 ? 3 DG A C6 8 +ATOM 4049 O O6 . DG A 1 3 ? 0.926 -0.396 6.865 1.00 0.00 ? 3 DG A O6 8 +ATOM 4050 N N1 . DG A 1 3 ? 0.826 1.769 6.397 1.00 0.00 ? 3 DG A N1 8 +ATOM 4051 C C2 . DG A 1 3 ? 1.385 2.990 6.233 1.00 0.00 ? 3 DG A C2 8 +ATOM 4052 N N2 . DG A 1 3 ? 0.562 3.968 5.977 1.00 0.00 ? 3 DG A N2 8 +ATOM 4053 N N3 . DG A 1 3 ? 2.680 3.259 6.405 1.00 0.00 ? 3 DG A N3 8 +ATOM 4054 C C4 . DG A 1 3 ? 3.421 2.167 6.752 1.00 0.00 ? 3 DG A C4 8 +ATOM 4055 H "H5'" . DG A 1 3 ? 8.996 2.576 4.382 1.00 0.00 ? 3 DG A "H5'" 8 +ATOM 4056 H "H5''" . DG A 1 3 ? 9.913 3.717 5.375 1.00 0.00 ? 3 DG A "H5''" 8 +ATOM 4057 H "H4'" . DG A 1 3 ? 7.688 4.470 5.175 1.00 0.00 ? 3 DG A "H4'" 8 +ATOM 4058 H "H3'" . DG A 1 3 ? 8.798 3.944 7.790 1.00 0.00 ? 3 DG A "H3'" 8 +ATOM 4059 H "H2'" . DG A 1 3 ? 7.051 2.440 8.311 1.00 0.00 ? 3 DG A "H2'" 8 +ATOM 4060 H "H2''" . DG A 1 3 ? 6.228 3.937 8.718 1.00 0.00 ? 3 DG A "H2''" 8 +ATOM 4061 H "H1'" . DG A 1 3 ? 5.277 4.149 6.499 1.00 0.00 ? 3 DG A "H1'" 8 +ATOM 4062 H H8 . DG A 1 3 ? 6.031 0.445 7.523 1.00 0.00 ? 3 DG A H8 8 +ATOM 4063 H H1 . DG A 1 3 ? -0.174 1.639 6.289 1.00 0.00 ? 3 DG A H1 8 +ATOM 4064 H H21 . DG A 1 3 ? -0.432 3.798 5.918 1.00 0.00 ? 3 DG A H21 8 +ATOM 4065 H H22 . DG A 1 3 ? 0.974 4.881 5.922 1.00 0.00 ? 3 DG A H22 8 +ATOM 4066 P P . DA A 1 4 ? 7.679 6.435 8.650 1.00 0.00 ? 4 DA A P 8 +ATOM 4067 O OP1 . DA A 1 4 ? 8.445 7.664 8.354 1.00 0.00 ? 4 DA A OP1 8 +ATOM 4068 O OP2 . DA A 1 4 ? 8.091 5.555 9.763 1.00 0.00 ? 4 DA A OP2 8 +ATOM 4069 O "O5'" . DA A 1 4 ? 6.142 6.843 8.881 1.00 0.00 ? 4 DA A "O5'" 8 +ATOM 4070 C "C5'" . DA A 1 4 ? 5.481 7.716 7.983 1.00 0.00 ? 4 DA A "C5'" 8 +ATOM 4071 C "C4'" . DA A 1 4 ? 4.046 8.034 8.431 1.00 0.00 ? 4 DA A "C4'" 8 +ATOM 4072 O "O4'" . DA A 1 4 ? 3.237 6.860 8.428 1.00 0.00 ? 4 DA A "O4'" 8 +ATOM 4073 C "C3'" . DA A 1 4 ? 3.967 8.658 9.837 1.00 0.00 ? 4 DA A "C3'" 8 +ATOM 4074 O "O3'" . DA A 1 4 ? 2.942 9.632 9.838 1.00 0.00 ? 4 DA A "O3'" 8 +ATOM 4075 C "C2'" . DA A 1 4 ? 3.652 7.430 10.688 1.00 0.00 ? 4 DA A "C2'" 8 +ATOM 4076 C "C1'" . DA A 1 4 ? 2.761 6.632 9.741 1.00 0.00 ? 4 DA A "C1'" 8 +ATOM 4077 N N9 . DA A 1 4 ? 2.757 5.173 9.986 1.00 0.00 ? 4 DA A N9 8 +ATOM 4078 C C8 . DA A 1 4 ? 3.812 4.321 10.239 1.00 0.00 ? 4 DA A C8 8 +ATOM 4079 N N7 . DA A 1 4 ? 3.503 3.053 10.205 1.00 0.00 ? 4 DA A N7 8 +ATOM 4080 C C5 . DA A 1 4 ? 2.148 3.066 9.870 1.00 0.00 ? 4 DA A C5 8 +ATOM 4081 C C6 . DA A 1 4 ? 1.155 2.080 9.681 1.00 0.00 ? 4 DA A C6 8 +ATOM 4082 N N6 . DA A 1 4 ? 1.353 0.785 9.823 1.00 0.00 ? 4 DA A N6 8 +ATOM 4083 N N1 . DA A 1 4 ? -0.093 2.415 9.337 1.00 0.00 ? 4 DA A N1 8 +ATOM 4084 C C2 . DA A 1 4 ? -0.380 3.702 9.188 1.00 0.00 ? 4 DA A C2 8 +ATOM 4085 N N3 . DA A 1 4 ? 0.442 4.732 9.352 1.00 0.00 ? 4 DA A N3 8 +ATOM 4086 C C4 . DA A 1 4 ? 1.704 4.347 9.685 1.00 0.00 ? 4 DA A C4 8 +ATOM 4087 H "H5'" . DA A 1 4 ? 5.442 7.266 6.988 1.00 0.00 ? 4 DA A "H5'" 8 +ATOM 4088 H "H5''" . DA A 1 4 ? 6.026 8.660 7.913 1.00 0.00 ? 4 DA A "H5''" 8 +ATOM 4089 H "H4'" . DA A 1 4 ? 3.635 8.731 7.698 1.00 0.00 ? 4 DA A "H4'" 8 +ATOM 4090 H "H3'" . DA A 1 4 ? 4.917 9.116 10.126 1.00 0.00 ? 4 DA A "H3'" 8 +ATOM 4091 H "H2'" . DA A 1 4 ? 4.583 6.921 10.921 1.00 0.00 ? 4 DA A "H2'" 8 +ATOM 4092 H "H2''" . DA A 1 4 ? 3.137 7.668 11.618 1.00 0.00 ? 4 DA A "H2''" 8 +ATOM 4093 H "H1'" . DA A 1 4 ? 1.747 7.040 9.808 1.00 0.00 ? 4 DA A "H1'" 8 +ATOM 4094 H H8 . DA A 1 4 ? 4.824 4.630 10.461 1.00 0.00 ? 4 DA A H8 8 +ATOM 4095 H H61 . DA A 1 4 ? 0.565 0.166 9.688 1.00 0.00 ? 4 DA A H61 8 +ATOM 4096 H H62 . DA A 1 4 ? 2.266 0.452 10.083 1.00 0.00 ? 4 DA A H62 8 +ATOM 4097 H H2 . DA A 1 4 ? -1.393 3.945 8.914 1.00 0.00 ? 4 DA A H2 8 +ATOM 4098 P P . DT A 1 5 ? 2.530 10.451 11.156 1.00 0.00 ? 5 DT A P 8 +ATOM 4099 O OP1 . DT A 1 5 ? 2.259 11.854 10.777 1.00 0.00 ? 5 DT A OP1 8 +ATOM 4100 O OP2 . DT A 1 5 ? 3.494 10.144 12.235 1.00 0.00 ? 5 DT A OP2 8 +ATOM 4101 O "O5'" . DT A 1 5 ? 1.136 9.731 11.484 1.00 0.00 ? 5 DT A "O5'" 8 +ATOM 4102 C "C5'" . DT A 1 5 ? 0.631 9.614 12.801 1.00 0.00 ? 5 DT A "C5'" 8 +ATOM 4103 C "C4'" . DT A 1 5 ? -0.648 8.763 12.758 1.00 0.00 ? 5 DT A "C4'" 8 +ATOM 4104 O "O4'" . DT A 1 5 ? -0.334 7.462 12.254 1.00 0.00 ? 5 DT A "O4'" 8 +ATOM 4105 C "C3'" . DT A 1 5 ? -1.270 8.567 14.157 1.00 0.00 ? 5 DT A "C3'" 8 +ATOM 4106 O "O3'" . DT A 1 5 ? -2.683 8.592 14.104 1.00 0.00 ? 5 DT A "O3'" 8 +ATOM 4107 C "C2'" . DT A 1 5 ? -0.832 7.143 14.464 1.00 0.00 ? 5 DT A "C2'" 8 +ATOM 4108 C "C1'" . DT A 1 5 ? -0.942 6.507 13.087 1.00 0.00 ? 5 DT A "C1'" 8 +ATOM 4109 N N1 . DT A 1 5 ? -0.202 5.215 13.013 1.00 0.00 ? 5 DT A N1 8 +ATOM 4110 C C2 . DT A 1 5 ? -0.953 4.098 12.661 1.00 0.00 ? 5 DT A C2 8 +ATOM 4111 O O2 . DT A 1 5 ? -2.152 4.115 12.429 1.00 0.00 ? 5 DT A O2 8 +ATOM 4112 N N3 . DT A 1 5 ? -0.300 2.901 12.610 1.00 0.00 ? 5 DT A N3 8 +ATOM 4113 C C4 . DT A 1 5 ? 1.019 2.686 12.897 1.00 0.00 ? 5 DT A C4 8 +ATOM 4114 O O4 . DT A 1 5 ? 1.423 1.530 12.874 1.00 0.00 ? 5 DT A O4 8 +ATOM 4115 C C5 . DT A 1 5 ? 1.786 3.889 13.224 1.00 0.00 ? 5 DT A C5 8 +ATOM 4116 C C7 . DT A 1 5 ? 3.285 3.820 13.522 1.00 0.00 ? 5 DT A C7 8 +ATOM 4117 C C6 . DT A 1 5 ? 1.158 5.096 13.286 1.00 0.00 ? 5 DT A C6 8 +ATOM 4118 H "H5'" . DT A 1 5 ? 0.399 10.604 13.199 1.00 0.00 ? 5 DT A "H5'" 8 +ATOM 4119 H "H5''" . DT A 1 5 ? 1.362 9.127 13.451 1.00 0.00 ? 5 DT A "H5''" 8 +ATOM 4120 H "H4'" . DT A 1 5 ? -1.370 9.249 12.098 1.00 0.00 ? 5 DT A "H4'" 8 +ATOM 4121 H "H3'" . DT A 1 5 ? -0.841 9.241 14.903 1.00 0.00 ? 5 DT A "H3'" 8 +ATOM 4122 H "H2'" . DT A 1 5 ? 0.210 7.197 14.777 1.00 0.00 ? 5 DT A "H2'" 8 +ATOM 4123 H "H2''" . DT A 1 5 ? -1.445 6.615 15.212 1.00 0.00 ? 5 DT A "H2''" 8 +ATOM 4124 H "H1'" . DT A 1 5 ? -2.006 6.445 12.808 1.00 0.00 ? 5 DT A "H1'" 8 +ATOM 4125 H H3 . DT A 1 5 ? -0.888 2.098 12.433 1.00 0.00 ? 5 DT A H3 8 +ATOM 4126 H H71 . DT A 1 5 ? 3.453 3.790 14.600 1.00 0.00 ? 5 DT A H71 8 +ATOM 4127 H H72 . DT A 1 5 ? 3.720 2.924 13.074 1.00 0.00 ? 5 DT A H72 8 +ATOM 4128 H H73 . DT A 1 5 ? 3.812 4.682 13.105 1.00 0.00 ? 5 DT A H73 8 +ATOM 4129 H H6 . DT A 1 5 ? 1.761 5.934 13.622 1.00 0.00 ? 5 DT A H6 8 +ATOM 4130 P P . DC A 1 6 ? -3.535 9.814 14.712 1.00 0.00 ? 6 DC A P 8 +ATOM 4131 O OP1 . DC A 1 6 ? -4.707 10.042 13.843 1.00 0.00 ? 6 DC A OP1 8 +ATOM 4132 O OP2 . DC A 1 6 ? -2.612 10.930 15.013 1.00 0.00 ? 6 DC A OP2 8 +ATOM 4133 O "O5'" . DC A 1 6 ? -4.058 9.212 16.112 1.00 0.00 ? 6 DC A "O5'" 8 +ATOM 4134 C "C5'" . DC A 1 6 ? -3.173 8.866 17.167 1.00 0.00 ? 6 DC A "C5'" 8 +ATOM 4135 C "C4'" . DC A 1 6 ? -3.456 7.430 17.641 1.00 0.00 ? 6 DC A "C4'" 8 +ATOM 4136 O "O4'" . DC A 1 6 ? -3.173 6.506 16.582 1.00 0.00 ? 6 DC A "O4'" 8 +ATOM 4137 C "C3'" . DC A 1 6 ? -2.574 7.036 18.853 1.00 0.00 ? 6 DC A "C3'" 8 +ATOM 4138 O "O3'" . DC A 1 6 ? -3.303 6.339 19.838 1.00 0.00 ? 6 DC A "O3'" 8 +ATOM 4139 C "C2'" . DC A 1 6 ? -1.576 6.109 18.183 1.00 0.00 ? 6 DC A "C2'" 8 +ATOM 4140 C "C1'" . DC A 1 6 ? -2.481 5.426 17.153 1.00 0.00 ? 6 DC A "C1'" 8 +ATOM 4141 N N1 . DC A 1 6 ? -1.739 4.453 16.312 1.00 0.00 ? 6 DC A N1 8 +ATOM 4142 C C2 . DC A 1 6 ? -2.163 3.116 16.277 1.00 0.00 ? 6 DC A C2 8 +ATOM 4143 O O2 . DC A 1 6 ? -3.350 2.824 16.370 1.00 0.00 ? 6 DC A O2 8 +ATOM 4144 N N3 . DC A 1 6 ? -1.259 2.099 16.151 1.00 0.00 ? 6 DC A N3 8 +ATOM 4145 C C4 . DC A 1 6 ? 0.030 2.405 16.115 1.00 0.00 ? 6 DC A C4 8 +ATOM 4146 N N4 . DC A 1 6 ? 0.876 1.423 15.997 1.00 0.00 ? 6 DC A N4 8 +ATOM 4147 C C5 . DC A 1 6 ? 0.489 3.749 16.118 1.00 0.00 ? 6 DC A C5 8 +ATOM 4148 C C6 . DC A 1 6 ? -0.414 4.704 16.180 1.00 0.00 ? 6 DC A C6 8 +ATOM 4149 H "H5'" . DC A 1 6 ? -3.354 9.558 17.991 1.00 0.00 ? 6 DC A "H5'" 8 +ATOM 4150 H "H5''" . DC A 1 6 ? -2.121 8.943 16.887 1.00 0.00 ? 6 DC A "H5''" 8 +ATOM 4151 H "H4'" . DC A 1 6 ? -4.510 7.355 17.916 1.00 0.00 ? 6 DC A "H4'" 8 +ATOM 4152 H "H3'" . DC A 1 6 ? -2.054 7.906 19.258 1.00 0.00 ? 6 DC A "H3'" 8 +ATOM 4153 H "H2'" . DC A 1 6 ? -0.855 6.795 17.758 1.00 0.00 ? 6 DC A "H2'" 8 +ATOM 4154 H "H2''" . DC A 1 6 ? -1.000 5.377 18.758 1.00 0.00 ? 6 DC A "H2''" 8 +ATOM 4155 H "H1'" . DC A 1 6 ? -3.261 4.914 17.618 1.00 0.00 ? 6 DC A "H1'" 8 +ATOM 4156 H H41 . DC A 1 6 ? 0.472 0.500 16.020 1.00 0.00 ? 6 DC A H41 8 +ATOM 4157 H H42 . DC A 1 6 ? 1.857 1.599 15.910 1.00 0.00 ? 6 DC A H42 8 +ATOM 4158 H H5 . DC A 1 6 ? 1.421 4.235 16.250 1.00 0.00 ? 6 DC A H5 8 +ATOM 4159 H H6 . DC A 1 6 ? 0.022 5.681 16.231 1.00 0.00 ? 6 DC A H6 8 +ATOM 4160 P P . DC A 1 7 ? -2.738 6.221 21.336 1.00 0.00 ? 7 DC A P 8 +ATOM 4161 O OP1 . DC A 1 7 ? -3.179 7.412 22.088 1.00 0.00 ? 7 DC A OP1 8 +ATOM 4162 O OP2 . DC A 1 7 ? -1.302 5.883 21.251 1.00 0.00 ? 7 DC A OP2 8 +ATOM 4163 O "O5'" . DC A 1 7 ? -3.514 4.927 21.885 1.00 0.00 ? 7 DC A "O5'" 8 +ATOM 4164 C "C5'" . DC A 1 7 ? -4.899 4.945 22.182 1.00 0.00 ? 7 DC A "C5'" 8 +ATOM 4165 C "C4'" . DC A 1 7 ? -5.512 3.533 22.334 1.00 0.00 ? 7 DC A "C4'" 8 +ATOM 4166 O "O4'" . DC A 1 7 ? -5.572 2.854 21.057 1.00 0.00 ? 7 DC A "O4'" 8 +ATOM 4167 C "C3'" . DC A 1 7 ? -4.704 2.600 23.261 1.00 0.00 ? 7 DC A "C3'" 8 +ATOM 4168 O "O3'" . DC A 1 7 ? -5.525 1.595 23.818 1.00 0.00 ? 7 DC A "O3'" 8 +ATOM 4169 C "C2'" . DC A 1 7 ? -3.778 1.941 22.246 1.00 0.00 ? 7 DC A "C2'" 8 +ATOM 4170 C "C1'" . DC A 1 7 ? -4.702 1.714 21.047 1.00 0.00 ? 7 DC A "C1'" 8 +ATOM 4171 N N1 . DC A 1 7 ? -3.838 1.643 19.834 1.00 0.00 ? 7 DC A N1 8 +ATOM 4172 C C2 . DC A 1 7 ? -3.488 0.340 19.479 1.00 0.00 ? 7 DC A C2 8 +ATOM 4173 O O2 . DC A 1 7 ? -4.330 -0.547 19.441 1.00 0.00 ? 7 DC A O2 8 +ATOM 4174 N N3 . DC A 1 7 ? -2.198 0.006 19.217 1.00 0.00 ? 7 DC A N3 8 +ATOM 4175 C C4 . DC A 1 7 ? -1.298 0.969 19.218 1.00 0.00 ? 7 DC A C4 8 +ATOM 4176 N N4 . DC A 1 7 ? -0.054 0.607 19.100 1.00 0.00 ? 7 DC A N4 8 +ATOM 4177 C C5 . DC A 1 7 ? -1.624 2.334 19.429 1.00 0.00 ? 7 DC A C5 8 +ATOM 4178 C C6 . DC A 1 7 ? -2.916 2.648 19.648 1.00 0.00 ? 7 DC A C6 8 +ATOM 4179 H "H5'" . DC A 1 7 ? -5.454 5.462 21.395 1.00 0.00 ? 7 DC A "H5'" 8 +ATOM 4180 H "H5''" . DC A 1 7 ? -5.039 5.493 23.116 1.00 0.00 ? 7 DC A "H5''" 8 +ATOM 4181 H "H4'" . DC A 1 7 ? -6.507 3.758 22.764 1.00 0.00 ? 7 DC A "H4'" 8 +ATOM 4182 H "H3'" . DC A 1 7 ? -4.129 3.147 24.019 1.00 0.00 ? 7 DC A "H3'" 8 +ATOM 4183 H "H2'" . DC A 1 7 ? -3.002 2.666 22.065 1.00 0.00 ? 7 DC A "H2'" 8 +ATOM 4184 H "H2''" . DC A 1 7 ? -3.227 1.050 22.510 1.00 0.00 ? 7 DC A "H2''" 8 +ATOM 4185 H "H1'" . DC A 1 7 ? -5.252 0.755 21.206 1.00 0.00 ? 7 DC A "H1'" 8 +ATOM 4186 H H41 . DC A 1 7 ? 0.099 -0.385 19.017 1.00 0.00 ? 7 DC A H41 8 +ATOM 4187 H H42 . DC A 1 7 ? 0.666 1.256 19.379 1.00 0.00 ? 7 DC A H42 8 +ATOM 4188 H H5 . DC A 1 7 ? -0.896 3.091 19.608 1.00 0.00 ? 7 DC A H5 8 +ATOM 4189 H H6 . DC A 1 7 ? -3.145 3.694 19.824 1.00 0.00 ? 7 DC A H6 8 +ATOM 4190 P P . DU A 1 8 ? -6.179 1.801 25.263 1.00 0.00 ? 8 DU A P 8 +ATOM 4191 O OP1 . DU A 1 8 ? -7.195 0.753 25.490 1.00 0.00 ? 8 DU A OP1 8 +ATOM 4192 O OP2 . DU A 1 8 ? -6.515 3.230 25.426 1.00 0.00 ? 8 DU A OP2 8 +ATOM 4193 O "O5'" . DU A 1 8 ? -4.897 1.457 26.167 1.00 0.00 ? 8 DU A "O5'" 8 +ATOM 4194 C "C5'" . DU A 1 8 ? -4.529 0.109 26.411 1.00 0.00 ? 8 DU A "C5'" 8 +ATOM 4195 C "C4'" . DU A 1 8 ? -3.034 -0.001 26.747 1.00 0.00 ? 8 DU A "C4'" 8 +ATOM 4196 O "O4'" . DU A 1 8 ? -2.254 0.095 25.548 1.00 0.00 ? 8 DU A "O4'" 8 +ATOM 4197 C "C3'" . DU A 1 8 ? -2.502 1.091 27.701 1.00 0.00 ? 8 DU A "C3'" 8 +ATOM 4198 O "O3'" . DU A 1 8 ? -1.638 0.498 28.683 1.00 0.00 ? 8 DU A "O3'" 8 +ATOM 4199 C "C2'" . DU A 1 8 ? -1.728 2.000 26.736 1.00 0.00 ? 8 DU A "C2'" 8 +ATOM 4200 C "C1'" . DU A 1 8 ? -1.155 0.955 25.783 1.00 0.00 ? 8 DU A "C1'" 8 +ATOM 4201 N N1 . DU A 1 8 ? -0.544 1.386 24.516 1.00 0.00 ? 8 DU A N1 8 +ATOM 4202 C C2 . DU A 1 8 ? 0.206 0.409 23.860 1.00 0.00 ? 8 DU A C2 8 +ATOM 4203 O O2 . DU A 1 8 ? 0.447 -0.701 24.311 1.00 0.00 ? 8 DU A O2 8 +ATOM 4204 N N3 . DU A 1 8 ? 0.755 0.760 22.653 1.00 0.00 ? 8 DU A N3 8 +ATOM 4205 C C4 . DU A 1 8 ? 0.641 1.988 22.053 1.00 0.00 ? 8 DU A C4 8 +ATOM 4206 O O4 . DU A 1 8 ? 1.229 2.184 20.996 1.00 0.00 ? 8 DU A O4 8 +ATOM 4207 C C5 . DU A 1 8 ? -0.173 2.949 22.772 1.00 0.00 ? 8 DU A C5 8 +ATOM 4208 C C6 . DU A 1 8 ? -0.743 2.642 23.966 1.00 0.00 ? 8 DU A C6 8 +ATOM 4209 H "H5'" . DU A 1 8 ? -4.715 -0.526 25.542 1.00 0.00 ? 8 DU A "H5'" 8 +ATOM 4210 H "H5''" . DU A 1 8 ? -5.114 -0.270 27.251 1.00 0.00 ? 8 DU A "H5''" 8 +ATOM 4211 H "H4'" . DU A 1 8 ? -2.840 -0.993 27.183 1.00 0.00 ? 8 DU A "H4'" 8 +ATOM 4212 H "H3'" . DU A 1 8 ? -3.354 1.611 28.163 1.00 0.00 ? 8 DU A "H3'" 8 +ATOM 4213 H "H2'" . DU A 1 8 ? -2.462 2.644 26.240 1.00 0.00 ? 8 DU A "H2'" 8 +ATOM 4214 H "H2''" . DU A 1 8 ? -0.950 2.587 27.243 1.00 0.00 ? 8 DU A "H2''" 8 +ATOM 4215 H "H1'" . DU A 1 8 ? -0.441 0.355 26.369 1.00 0.00 ? 8 DU A "H1'" 8 +ATOM 4216 H H3 . DU A 1 8 ? 1.266 0.041 22.164 1.00 0.00 ? 8 DU A H3 8 +ATOM 4217 H H5 . DU A 1 8 ? -0.323 3.923 22.336 1.00 0.00 ? 8 DU A H5 8 +ATOM 4218 H H6 . DU A 1 8 ? -1.334 3.419 24.427 1.00 0.00 ? 8 DU A H6 8 +ATOM 4219 P P . DT A 1 9 ? -1.396 1.452 29.974 1.00 0.00 ? 9 DT A P 8 +ATOM 4220 O OP1 . DT A 1 9 ? -2.585 1.302 30.842 1.00 0.00 ? 9 DT A OP1 8 +ATOM 4221 O OP2 . DT A 1 9 ? -0.995 2.809 29.543 1.00 0.00 ? 9 DT A OP2 8 +ATOM 4222 O "O5'" . DT A 1 9 ? -0.153 0.747 30.728 1.00 0.00 ? 9 DT A "O5'" 8 +ATOM 4223 C "C5'" . DT A 1 9 ? 1.208 0.951 30.364 1.00 0.00 ? 9 DT A "C5'" 8 +ATOM 4224 C "C4'" . DT A 1 9 ? 1.575 0.527 28.925 1.00 0.00 ? 9 DT A "C4'" 8 +ATOM 4225 O "O4'" . DT A 1 9 ? 1.152 1.533 28.018 1.00 0.00 ? 9 DT A "O4'" 8 +ATOM 4226 C "C3'" . DT A 1 9 ? 3.102 0.374 28.733 1.00 0.00 ? 9 DT A "C3'" 8 +ATOM 4227 O "O3'" . DT A 1 9 ? 3.491 -0.959 28.450 1.00 0.00 ? 9 DT A "O3'" 8 +ATOM 4228 C "C2'" . DT A 1 9 ? 3.428 1.198 27.482 1.00 0.00 ? 9 DT A "C2'" 8 +ATOM 4229 C "C1'" . DT A 1 9 ? 2.081 1.689 26.974 1.00 0.00 ? 9 DT A "C1'" 8 +ATOM 4230 N N1 . DT A 1 9 ? 2.166 3.113 26.515 1.00 0.00 ? 9 DT A N1 8 +ATOM 4231 C C2 . DT A 1 9 ? 2.077 4.101 27.505 1.00 0.00 ? 9 DT A C2 8 +ATOM 4232 O O2 . DT A 1 9 ? 2.181 3.912 28.707 1.00 0.00 ? 9 DT A O2 8 +ATOM 4233 N N3 . DT A 1 9 ? 1.962 5.396 27.078 1.00 0.00 ? 9 DT A N3 8 +ATOM 4234 C C4 . DT A 1 9 ? 2.114 5.831 25.789 1.00 0.00 ? 9 DT A C4 8 +ATOM 4235 O O4 . DT A 1 9 ? 2.006 7.031 25.577 1.00 0.00 ? 9 DT A O4 8 +ATOM 4236 C C5 . DT A 1 9 ? 2.452 4.786 24.820 1.00 0.00 ? 9 DT A C5 8 +ATOM 4237 C C7 . DT A 1 9 ? 2.798 5.135 23.370 1.00 0.00 ? 9 DT A C7 8 +ATOM 4238 C C6 . DT A 1 9 ? 2.465 3.479 25.207 1.00 0.00 ? 9 DT A C6 8 +ATOM 4239 H "H5'" . DT A 1 9 ? 1.791 0.340 31.055 1.00 0.00 ? 9 DT A "H5'" 8 +ATOM 4240 H "H5''" . DT A 1 9 ? 1.489 1.993 30.531 1.00 0.00 ? 9 DT A "H5''" 8 +ATOM 4241 H "H4'" . DT A 1 9 ? 1.066 -0.411 28.710 1.00 0.00 ? 9 DT A "H4'" 8 +ATOM 4242 H "H3'" . DT A 1 9 ? 3.662 0.777 29.581 1.00 0.00 ? 9 DT A "H3'" 8 +ATOM 4243 H "H2'" . DT A 1 9 ? 4.056 2.047 27.742 1.00 0.00 ? 9 DT A "H2'" 8 +ATOM 4244 H "H2''" . DT A 1 9 ? 3.941 0.625 26.714 1.00 0.00 ? 9 DT A "H2''" 8 +ATOM 4245 H "H1'" . DT A 1 9 ? 1.719 0.984 26.223 1.00 0.00 ? 9 DT A "H1'" 8 +ATOM 4246 H H3 . DT A 1 9 ? 1.817 6.085 27.787 1.00 0.00 ? 9 DT A H3 8 +ATOM 4247 H H71 . DT A 1 9 ? 2.977 6.206 23.259 1.00 0.00 ? 9 DT A H71 8 +ATOM 4248 H H72 . DT A 1 9 ? 3.695 4.608 23.040 1.00 0.00 ? 9 DT A H72 8 +ATOM 4249 H H73 . DT A 1 9 ? 1.968 4.868 22.712 1.00 0.00 ? 9 DT A H73 8 +ATOM 4250 H H6 . DT A 1 9 ? 2.784 2.771 24.454 1.00 0.00 ? 9 DT A H6 8 +ATOM 4251 P P . DT A 1 10 B 3.460 -2.093 29.584 1.00 0.00 ? 1 DT A P 8 +ATOM 4252 O OP1 . DT A 1 10 B 2.051 -2.257 30.007 1.00 0.00 ? 1 DT A OP1 8 +ATOM 4253 O OP2 . DT A 1 10 B 4.509 -1.772 30.574 1.00 0.00 ? 1 DT A OP2 8 +ATOM 4254 O "O5'" . DT A 1 10 B 3.855 -3.438 28.808 1.00 0.00 ? 1 DT A "O5'" 8 +ATOM 4255 C "C5'" . DT A 1 10 B 5.137 -3.685 28.261 1.00 0.00 ? 1 DT A "C5'" 8 +ATOM 4256 C "C4'" . DT A 1 10 B 5.063 -4.993 27.446 1.00 0.00 ? 1 DT A "C4'" 8 +ATOM 4257 O "O4'" . DT A 1 10 B 4.079 -4.825 26.429 1.00 0.00 ? 1 DT A "O4'" 8 +ATOM 4258 C "C3'" . DT A 1 10 B 6.395 -5.321 26.736 1.00 0.00 ? 1 DT A "C3'" 8 +ATOM 4259 O "O3'" . DT A 1 10 B 6.634 -6.688 26.462 1.00 0.00 ? 1 DT A "O3'" 8 +ATOM 4260 C "C2'" . DT A 1 10 B 6.155 -4.675 25.378 1.00 0.00 ? 1 DT A "C2'" 8 +ATOM 4261 C "C1'" . DT A 1 10 B 4.668 -4.986 25.163 1.00 0.00 ? 1 DT A "C1'" 8 +ATOM 4262 N N1 . DT A 1 10 B 3.999 -4.037 24.237 1.00 0.00 ? 1 DT A N1 8 +ATOM 4263 C C2 . DT A 1 10 B 3.256 -4.555 23.178 1.00 0.00 ? 1 DT A C2 8 +ATOM 4264 O O2 . DT A 1 10 B 3.117 -5.749 22.956 1.00 0.00 ? 1 DT A O2 8 +ATOM 4265 N N3 . DT A 1 10 B 2.652 -3.650 22.343 1.00 0.00 ? 1 DT A N3 8 +ATOM 4266 C C4 . DT A 1 10 B 2.696 -2.280 22.473 1.00 0.00 ? 1 DT A C4 8 +ATOM 4267 O O4 . DT A 1 10 B 2.082 -1.588 21.672 1.00 0.00 ? 1 DT A O4 8 +ATOM 4268 C C5 . DT A 1 10 B 3.518 -1.791 23.581 1.00 0.00 ? 1 DT A C5 8 +ATOM 4269 C C7 . DT A 1 10 B 3.758 -0.300 23.813 1.00 0.00 ? 1 DT A C7 8 +ATOM 4270 C C6 . DT A 1 10 B 4.113 -2.675 24.419 1.00 0.00 ? 1 DT A C6 8 +ATOM 4271 H "H5'" . DT A 1 10 B 5.869 -3.793 29.063 1.00 0.00 ? 1 DT A "H5'" 8 +ATOM 4272 H "H5''" . DT A 1 10 B 5.436 -2.861 27.610 1.00 0.00 ? 1 DT A "H5''" 8 +ATOM 4273 H "H4'" . DT A 1 10 B 4.767 -5.792 28.125 1.00 0.00 ? 1 DT A "H4'" 8 +ATOM 4274 H "H3'" . DT A 1 10 B 7.258 -4.879 27.241 1.00 0.00 ? 1 DT A "H3'" 8 +ATOM 4275 H "H2'" . DT A 1 10 B 6.379 -3.616 25.469 1.00 0.00 ? 1 DT A "H2'" 8 +ATOM 4276 H "H2''" . DT A 1 10 B 6.768 -5.094 24.584 1.00 0.00 ? 1 DT A "H2''" 8 +ATOM 4277 H "H1'" . DT A 1 10 B 4.567 -6.034 24.873 1.00 0.00 ? 1 DT A "H1'" 8 +ATOM 4278 H H3 . DT A 1 10 B 2.139 -4.037 21.559 1.00 0.00 ? 1 DT A H3 8 +ATOM 4279 H H71 . DT A 1 10 B 4.718 -0.115 24.298 1.00 0.00 ? 1 DT A H71 8 +ATOM 4280 H H72 . DT A 1 10 B 3.760 0.223 22.860 1.00 0.00 ? 1 DT A H72 8 +ATOM 4281 H H73 . DT A 1 10 B 2.963 0.098 24.440 1.00 0.00 ? 1 DT A H73 8 +ATOM 4282 H H6 . DT A 1 10 B 4.688 -2.285 25.241 1.00 0.00 ? 1 DT A H6 8 +ATOM 4283 P P . DT A 1 11 B 6.874 -7.770 27.624 1.00 0.00 ? 2 DT A P 8 +ATOM 4284 O OP1 . DT A 1 11 B 7.383 -7.058 28.815 1.00 0.00 ? 2 DT A OP1 8 +ATOM 4285 O OP2 . DT A 1 11 B 7.640 -8.898 27.052 1.00 0.00 ? 2 DT A OP2 8 +ATOM 4286 O "O5'" . DT A 1 11 B 5.374 -8.271 27.911 1.00 0.00 ? 2 DT A "O5'" 8 +ATOM 4287 C "C5'" . DT A 1 11 B 4.595 -8.872 26.886 1.00 0.00 ? 2 DT A "C5'" 8 +ATOM 4288 C "C4'" . DT A 1 11 B 3.094 -8.727 27.187 1.00 0.00 ? 2 DT A "C4'" 8 +ATOM 4289 O "O4'" . DT A 1 11 B 2.746 -7.360 27.343 1.00 0.00 ? 2 DT A "O4'" 8 +ATOM 4290 C "C3'" . DT A 1 11 B 2.222 -9.200 26.013 1.00 0.00 ? 2 DT A "C3'" 8 +ATOM 4291 O "O3'" . DT A 1 11 B 1.698 -10.492 26.240 1.00 0.00 ? 2 DT A "O3'" 8 +ATOM 4292 C "C2'" . DT A 1 11 B 1.082 -8.174 25.982 1.00 0.00 ? 2 DT A "C2'" 8 +ATOM 4293 C "C1'" . DT A 1 11 B 1.354 -7.264 27.181 1.00 0.00 ? 2 DT A "C1'" 8 +ATOM 4294 N N1 . DT A 1 11 B 0.930 -5.840 27.084 1.00 0.00 ? 2 DT A N1 8 +ATOM 4295 C C2 . DT A 1 11 B 1.164 -5.064 28.223 1.00 0.00 ? 2 DT A C2 8 +ATOM 4296 O O2 . DT A 1 11 B 1.599 -5.518 29.273 1.00 0.00 ? 2 DT A O2 8 +ATOM 4297 N N3 . DT A 1 11 B 0.788 -3.746 28.166 1.00 0.00 ? 2 DT A N3 8 +ATOM 4298 C C4 . DT A 1 11 B 0.167 -3.131 27.107 1.00 0.00 ? 2 DT A C4 8 +ATOM 4299 O O4 . DT A 1 11 B -0.135 -1.950 27.208 1.00 0.00 ? 2 DT A O4 8 +ATOM 4300 C C5 . DT A 1 11 B -0.108 -4.002 25.959 1.00 0.00 ? 2 DT A C5 8 +ATOM 4301 C C7 . DT A 1 11 B -0.837 -3.485 24.716 1.00 0.00 ? 2 DT A C7 8 +ATOM 4302 C C6 . DT A 1 11 B 0.281 -5.304 25.985 1.00 0.00 ? 2 DT A C6 8 +ATOM 4303 H "H5'" . DT A 1 11 B 4.854 -9.929 26.800 1.00 0.00 ? 2 DT A "H5'" 8 +ATOM 4304 H "H5''" . DT A 1 11 B 4.785 -8.390 25.925 1.00 0.00 ? 2 DT A "H5''" 8 +ATOM 4305 H "H4'" . DT A 1 11 B 2.843 -9.270 28.101 1.00 0.00 ? 2 DT A "H4'" 8 +ATOM 4306 H "H3'" . DT A 1 11 B 2.800 -9.150 25.085 1.00 0.00 ? 2 DT A "H3'" 8 +ATOM 4307 H "H2'" . DT A 1 11 B 1.196 -7.651 25.038 1.00 0.00 ? 2 DT A "H2'" 8 +ATOM 4308 H "H2''" . DT A 1 11 B 0.088 -8.616 26.047 1.00 0.00 ? 2 DT A "H2''" 8 +ATOM 4309 H "H1'" . DT A 1 11 B 0.872 -7.718 28.052 1.00 0.00 ? 2 DT A "H1'" 8 +ATOM 4310 H H3 . DT A 1 11 B 1.105 -3.162 28.947 1.00 0.00 ? 2 DT A H3 8 +ATOM 4311 H H71 . DT A 1 11 B -1.335 -2.536 24.923 1.00 0.00 ? 2 DT A H71 8 +ATOM 4312 H H72 . DT A 1 11 B -0.118 -3.320 23.910 1.00 0.00 ? 2 DT A H72 8 +ATOM 4313 H H73 . DT A 1 11 B -1.593 -4.196 24.377 1.00 0.00 ? 2 DT A H73 8 +ATOM 4314 H H6 . DT A 1 11 B 0.039 -5.908 25.122 1.00 0.00 ? 2 DT A H6 8 +ATOM 4315 P P . DG A 1 12 B 1.174 -11.388 25.014 1.00 0.00 ? 3 DG A P 8 +ATOM 4316 O OP1 . DG A 1 12 B 0.456 -12.556 25.565 1.00 0.00 ? 3 DG A OP1 8 +ATOM 4317 O OP2 . DG A 1 12 B 2.313 -11.592 24.094 1.00 0.00 ? 3 DG A OP2 8 +ATOM 4318 O "O5'" . DG A 1 12 B 0.099 -10.440 24.277 1.00 0.00 ? 3 DG A "O5'" 8 +ATOM 4319 C "C5'" . DG A 1 12 B -0.144 -10.546 22.884 1.00 0.00 ? 3 DG A "C5'" 8 +ATOM 4320 C "C4'" . DG A 1 12 B -1.232 -9.554 22.431 1.00 0.00 ? 3 DG A "C4'" 8 +ATOM 4321 O "O4'" . DG A 1 12 B -0.755 -8.202 22.457 1.00 0.00 ? 3 DG A "O4'" 8 +ATOM 4322 C "C3'" . DG A 1 12 B -1.675 -9.844 20.977 1.00 0.00 ? 3 DG A "C3'" 8 +ATOM 4323 O "O3'" . DG A 1 12 B -3.083 -9.722 20.872 1.00 0.00 ? 3 DG A "O3'" 8 +ATOM 4324 C "C2'" . DG A 1 12 B -0.983 -8.699 20.244 1.00 0.00 ? 3 DG A "C2'" 8 +ATOM 4325 C "C1'" . DG A 1 12 B -1.189 -7.591 21.259 1.00 0.00 ? 3 DG A "C1'" 8 +ATOM 4326 N N9 . DG A 1 12 B -0.436 -6.378 20.894 1.00 0.00 ? 3 DG A N9 8 +ATOM 4327 C C8 . DG A 1 12 B 0.903 -6.241 20.650 1.00 0.00 ? 3 DG A C8 8 +ATOM 4328 N N7 . DG A 1 12 B 1.262 -5.038 20.284 1.00 0.00 ? 3 DG A N7 8 +ATOM 4329 C C5 . DG A 1 12 B 0.051 -4.335 20.234 1.00 0.00 ? 3 DG A C5 8 +ATOM 4330 C C6 . DG A 1 12 B -0.283 -3.006 19.799 1.00 0.00 ? 3 DG A C6 8 +ATOM 4331 O O6 . DG A 1 12 B 0.449 -2.145 19.331 1.00 0.00 ? 3 DG A O6 8 +ATOM 4332 N N1 . DG A 1 12 B -1.623 -2.688 19.914 1.00 0.00 ? 3 DG A N1 8 +ATOM 4333 C C2 . DG A 1 12 B -2.567 -3.592 20.264 1.00 0.00 ? 3 DG A C2 8 +ATOM 4334 N N2 . DG A 1 12 B -3.803 -3.254 20.038 1.00 0.00 ? 3 DG A N2 8 +ATOM 4335 N N3 . DG A 1 12 B -2.316 -4.858 20.581 1.00 0.00 ? 3 DG A N3 8 +ATOM 4336 C C4 . DG A 1 12 B -0.989 -5.162 20.586 1.00 0.00 ? 3 DG A C4 8 +ATOM 4337 H "H5'" . DG A 1 12 B -0.486 -11.561 22.671 1.00 0.00 ? 3 DG A "H5'" 8 +ATOM 4338 H "H5''" . DG A 1 12 B 0.770 -10.355 22.318 1.00 0.00 ? 3 DG A "H5''" 8 +ATOM 4339 H "H4'" . DG A 1 12 B -2.087 -9.654 23.102 1.00 0.00 ? 3 DG A "H4'" 8 +ATOM 4340 H "H3'" . DG A 1 12 B -1.334 -10.821 20.626 1.00 0.00 ? 3 DG A "H3'" 8 +ATOM 4341 H "H2'" . DG A 1 12 B 0.075 -8.925 20.141 1.00 0.00 ? 3 DG A "H2'" 8 +ATOM 4342 H "H2''" . DG A 1 12 B -1.393 -8.445 19.272 1.00 0.00 ? 3 DG A "H2''" 8 +ATOM 4343 H "H1'" . DG A 1 12 B -2.249 -7.358 21.339 1.00 0.00 ? 3 DG A "H1'" 8 +ATOM 4344 H H8 . DG A 1 12 B 1.587 -7.071 20.728 1.00 0.00 ? 3 DG A H8 8 +ATOM 4345 H H1 . DG A 1 12 B -1.895 -1.762 19.610 1.00 0.00 ? 3 DG A H1 8 +ATOM 4346 H H21 . DG A 1 12 B -4.028 -2.334 19.691 1.00 0.00 ? 3 DG A H21 8 +ATOM 4347 H H22 . DG A 1 12 B -4.436 -4.037 19.967 1.00 0.00 ? 3 DG A H22 8 +ATOM 4348 P P . DG A 1 13 B -3.879 -10.181 19.552 1.00 0.00 ? 4 DG A P 8 +ATOM 4349 O OP1 . DG A 1 13 B -4.662 -11.386 19.896 1.00 0.00 ? 4 DG A OP1 8 +ATOM 4350 O OP2 . DG A 1 13 B -2.923 -10.223 18.425 1.00 0.00 ? 4 DG A OP2 8 +ATOM 4351 O "O5'" . DG A 1 13 B -4.901 -8.959 19.294 1.00 0.00 ? 4 DG A "O5'" 8 +ATOM 4352 C "C5'" . DG A 1 13 B -4.442 -7.621 19.212 1.00 0.00 ? 4 DG A "C5'" 8 +ATOM 4353 C "C4'" . DG A 1 13 B -5.510 -6.683 18.619 1.00 0.00 ? 4 DG A "C4'" 8 +ATOM 4354 O "O4'" . DG A 1 13 B -4.960 -5.366 18.583 1.00 0.00 ? 4 DG A "O4'" 8 +ATOM 4355 C "C3'" . DG A 1 13 B -5.882 -7.050 17.172 1.00 0.00 ? 4 DG A "C3'" 8 +ATOM 4356 O "O3'" . DG A 1 13 B -7.164 -6.539 16.859 1.00 0.00 ? 4 DG A "O3'" 8 +ATOM 4357 C "C2'" . DG A 1 13 B -4.792 -6.283 16.438 1.00 0.00 ? 4 DG A "C2'" 8 +ATOM 4358 C "C1'" . DG A 1 13 B -4.753 -4.977 17.232 1.00 0.00 ? 4 DG A "C1'" 8 +ATOM 4359 N N9 . DG A 1 13 B -3.440 -4.315 17.089 1.00 0.00 ? 4 DG A N9 8 +ATOM 4360 C C8 . DG A 1 13 B -2.200 -4.891 17.158 1.00 0.00 ? 4 DG A C8 8 +ATOM 4361 N N7 . DG A 1 13 B -1.209 -4.076 16.931 1.00 0.00 ? 4 DG A N7 8 +ATOM 4362 C C5 . DG A 1 13 B -1.845 -2.853 16.684 1.00 0.00 ? 4 DG A C5 8 +ATOM 4363 C C6 . DG A 1 13 B -1.331 -1.549 16.368 1.00 0.00 ? 4 DG A C6 8 +ATOM 4364 O O6 . DG A 1 13 B -0.169 -1.201 16.204 1.00 0.00 ? 4 DG A O6 8 +ATOM 4365 N N1 . DG A 1 13 B -2.297 -0.574 16.218 1.00 0.00 ? 4 DG A N1 8 +ATOM 4366 C C2 . DG A 1 13 B -3.620 -0.828 16.341 1.00 0.00 ? 4 DG A C2 8 +ATOM 4367 N N2 . DG A 1 13 B -4.418 0.190 16.175 1.00 0.00 ? 4 DG A N2 8 +ATOM 4368 N N3 . DG A 1 13 B -4.147 -2.025 16.586 1.00 0.00 ? 4 DG A N3 8 +ATOM 4369 C C4 . DG A 1 13 B -3.210 -3.000 16.760 1.00 0.00 ? 4 DG A C4 8 +ATOM 4370 H "H5'" . DG A 1 13 B -3.536 -7.561 18.609 1.00 0.00 ? 4 DG A "H5'" 8 +ATOM 4371 H "H5''" . DG A 1 13 B -4.210 -7.272 20.218 1.00 0.00 ? 4 DG A "H5''" 8 +ATOM 4372 H "H4'" . DG A 1 13 B -6.393 -6.713 19.259 1.00 0.00 ? 4 DG A "H4'" 8 +ATOM 4373 H "H3'" . DG A 1 13 B -5.840 -8.129 16.999 1.00 0.00 ? 4 DG A "H3'" 8 +ATOM 4374 H "H2'" . DG A 1 13 B -3.875 -6.859 16.519 1.00 0.00 ? 4 DG A "H2'" 8 +ATOM 4375 H "H2''" . DG A 1 13 B -4.982 -6.122 15.386 1.00 0.00 ? 4 DG A "H2''" 8 +ATOM 4376 H "H1'" . DG A 1 13 B -5.572 -4.330 16.913 1.00 0.00 ? 4 DG A "H1'" 8 +ATOM 4377 H H8 . DG A 1 13 B -2.063 -5.941 17.366 1.00 0.00 ? 4 DG A H8 8 +ATOM 4378 H H1 . DG A 1 13 B -1.974 0.381 16.105 1.00 0.00 ? 4 DG A H1 8 +ATOM 4379 H H21 . DG A 1 13 B -4.048 1.124 16.074 1.00 0.00 ? 4 DG A H21 8 +ATOM 4380 H H22 . DG A 1 13 B -5.395 -0.016 16.270 1.00 0.00 ? 4 DG A H22 8 +ATOM 4381 P P . DA A 1 14 B -7.828 -6.754 15.411 1.00 0.00 ? 5 DA A P 8 +ATOM 4382 O OP1 . DA A 1 14 B -9.278 -6.966 15.604 1.00 0.00 ? 5 DA A OP1 8 +ATOM 4383 O OP2 . DA A 1 14 B -7.028 -7.752 14.671 1.00 0.00 ? 5 DA A OP2 8 +ATOM 4384 O "O5'" . DA A 1 14 B -7.618 -5.320 14.704 1.00 0.00 ? 5 DA A "O5'" 8 +ATOM 4385 C "C5'" . DA A 1 14 B -8.382 -4.192 15.103 1.00 0.00 ? 5 DA A "C5'" 8 +ATOM 4386 C "C4'" . DA A 1 14 B -8.140 -2.974 14.195 1.00 0.00 ? 5 DA A "C4'" 8 +ATOM 4387 O "O4'" . DA A 1 14 B -6.828 -2.443 14.360 1.00 0.00 ? 5 DA A "O4'" 8 +ATOM 4388 C "C3'" . DA A 1 14 B -8.339 -3.271 12.695 1.00 0.00 ? 5 DA A "C3'" 8 +ATOM 4389 O "O3'" . DA A 1 14 B -9.156 -2.277 12.104 1.00 0.00 ? 5 DA A "O3'" 8 +ATOM 4390 C "C2'" . DA A 1 14 B -6.902 -3.189 12.185 1.00 0.00 ? 5 DA A "C2'" 8 +ATOM 4391 C "C1'" . DA A 1 14 B -6.334 -2.092 13.083 1.00 0.00 ? 5 DA A "C1'" 8 +ATOM 4392 N N9 . DA A 1 14 B -4.857 -2.111 13.139 1.00 0.00 ? 5 DA A N9 8 +ATOM 4393 C C8 . DA A 1 14 B -4.015 -3.140 13.494 1.00 0.00 ? 5 DA A C8 8 +ATOM 4394 N N7 . DA A 1 14 B -2.749 -2.819 13.512 1.00 0.00 ? 5 DA A N7 8 +ATOM 4395 C C5 . DA A 1 14 B -2.758 -1.470 13.146 1.00 0.00 ? 5 DA A C5 8 +ATOM 4396 C C6 . DA A 1 14 B -1.772 -0.470 12.977 1.00 0.00 ? 5 DA A C6 8 +ATOM 4397 N N6 . DA A 1 14 B -0.481 -0.644 13.177 1.00 0.00 ? 5 DA A N6 8 +ATOM 4398 N N1 . DA A 1 14 B -2.106 0.770 12.601 1.00 0.00 ? 5 DA A N1 8 +ATOM 4399 C C2 . DA A 1 14 B -3.392 1.045 12.416 1.00 0.00 ? 5 DA A C2 8 +ATOM 4400 N N3 . DA A 1 14 B -4.420 0.215 12.543 1.00 0.00 ? 5 DA A N3 8 +ATOM 4401 C C4 . DA A 1 14 B -4.036 -1.037 12.916 1.00 0.00 ? 5 DA A C4 8 +ATOM 4402 H "H5'" . DA A 1 14 B -8.141 -3.923 16.134 1.00 0.00 ? 5 DA A "H5'" 8 +ATOM 4403 H "H5''" . DA A 1 14 B -9.446 -4.430 15.047 1.00 0.00 ? 5 DA A "H5''" 8 +ATOM 4404 H "H4'" . DA A 1 14 B -8.846 -2.200 14.503 1.00 0.00 ? 5 DA A "H4'" 8 +ATOM 4405 H "H3'" . DA A 1 14 B -8.769 -4.268 12.551 1.00 0.00 ? 5 DA A "H3'" 8 +ATOM 4406 H "H2'" . DA A 1 14 B -6.418 -4.149 12.365 1.00 0.00 ? 5 DA A "H2'" 8 +ATOM 4407 H "H2''" . DA A 1 14 B -6.845 -2.934 11.127 1.00 0.00 ? 5 DA A "H2''" 8 +ATOM 4408 H "H1'" . DA A 1 14 B -6.724 -1.110 12.789 1.00 0.00 ? 5 DA A "H1'" 8 +ATOM 4409 H H8 . DA A 1 14 B -4.352 -4.135 13.742 1.00 0.00 ? 5 DA A H8 8 +ATOM 4410 H H61 . DA A 1 14 B 0.128 0.147 13.024 1.00 0.00 ? 5 DA A H61 8 +ATOM 4411 H H62 . DA A 1 14 B -0.152 -1.520 13.547 1.00 0.00 ? 5 DA A H62 8 +ATOM 4412 H H2 . DA A 1 14 B -3.635 2.047 12.106 1.00 0.00 ? 5 DA A H2 8 +ATOM 4413 P P . DT A 1 15 B -9.734 -2.435 10.609 1.00 0.00 ? 6 DT A P 8 +ATOM 4414 O OP1 . DT A 1 15 B -11.146 -1.997 10.621 1.00 0.00 ? 6 DT A OP1 8 +ATOM 4415 O OP2 . DT A 1 15 B -9.381 -3.780 10.109 1.00 0.00 ? 6 DT A OP2 8 +ATOM 4416 O "O5'" . DT A 1 15 B -8.876 -1.356 9.783 1.00 0.00 ? 6 DT A "O5'" 8 +ATOM 4417 C "C5'" . DT A 1 15 B -9.185 0.028 9.837 1.00 0.00 ? 6 DT A "C5'" 8 +ATOM 4418 C "C4'" . DT A 1 15 B -8.091 0.863 9.153 1.00 0.00 ? 6 DT A "C4'" 8 +ATOM 4419 O "O4'" . DT A 1 15 B -6.840 0.631 9.782 1.00 0.00 ? 6 DT A "O4'" 8 +ATOM 4420 C "C3'" . DT A 1 15 B -7.897 0.542 7.659 1.00 0.00 ? 6 DT A "C3'" 8 +ATOM 4421 O "O3'" . DT A 1 15 B -8.521 1.527 6.853 1.00 0.00 ? 6 DT A "O3'" 8 +ATOM 4422 C "C2'" . DT A 1 15 B -6.373 0.604 7.497 1.00 0.00 ? 6 DT A "C2'" 8 +ATOM 4423 C "C1'" . DT A 1 15 B -5.857 1.020 8.861 1.00 0.00 ? 6 DT A "C1'" 8 +ATOM 4424 N N1 . DT A 1 15 B -4.549 0.392 9.147 1.00 0.00 ? 6 DT A N1 8 +ATOM 4425 C C2 . DT A 1 15 B -3.424 1.195 9.018 1.00 0.00 ? 6 DT A C2 8 +ATOM 4426 O O2 . DT A 1 15 B -3.453 2.370 8.686 1.00 0.00 ? 6 DT A O2 8 +ATOM 4427 N N3 . DT A 1 15 B -2.220 0.603 9.263 1.00 0.00 ? 6 DT A N3 8 +ATOM 4428 C C4 . DT A 1 15 B -2.014 -0.712 9.579 1.00 0.00 ? 6 DT A C4 8 +ATOM 4429 O O4 . DT A 1 15 B -0.860 -1.080 9.757 1.00 0.00 ? 6 DT A O4 8 +ATOM 4430 C C5 . DT A 1 15 B -3.229 -1.528 9.667 1.00 0.00 ? 6 DT A C5 8 +ATOM 4431 C C7 . DT A 1 15 B -3.158 -3.023 9.981 1.00 0.00 ? 6 DT A C7 8 +ATOM 4432 C C6 . DT A 1 15 B -4.444 -0.952 9.449 1.00 0.00 ? 6 DT A C6 8 +ATOM 4433 H "H5'" . DT A 1 15 B -9.261 0.357 10.876 1.00 0.00 ? 6 DT A "H5'" 8 +ATOM 4434 H "H5''" . DT A 1 15 B -10.139 0.216 9.339 1.00 0.00 ? 6 DT A "H5''" 8 +ATOM 4435 H "H4'" . DT A 1 15 B -8.335 1.922 9.267 1.00 0.00 ? 6 DT A "H4'" 8 +ATOM 4436 H "H3'" . DT A 1 15 B -8.266 -0.463 7.440 1.00 0.00 ? 6 DT A "H3'" 8 +ATOM 4437 H "H2'" . DT A 1 15 B -6.018 -0.385 7.207 1.00 0.00 ? 6 DT A "H2'" 8 +ATOM 4438 H "H2''" . DT A 1 15 B -6.003 1.351 6.800 1.00 0.00 ? 6 DT A "H2''" 8 +ATOM 4439 H "H1'" . DT A 1 15 B -5.823 2.112 8.861 1.00 0.00 ? 6 DT A "H1'" 8 +ATOM 4440 H H3 . DT A 1 15 B -1.415 1.208 9.188 1.00 0.00 ? 6 DT A H3 8 +ATOM 4441 H H71 . DT A 1 15 B -2.328 -3.232 10.659 1.00 0.00 ? 6 DT A H71 8 +ATOM 4442 H H72 . DT A 1 15 B -4.076 -3.380 10.451 1.00 0.00 ? 6 DT A H72 8 +ATOM 4443 H H73 . DT A 1 15 B -3.000 -3.583 9.058 1.00 0.00 ? 6 DT A H73 8 +ATOM 4444 H H6 . DT A 1 15 B -5.348 -1.547 9.506 1.00 0.00 ? 6 DT A H6 8 +ATOM 4445 P P . DC A 1 16 B -8.868 1.244 5.305 1.00 0.00 ? 7 DC A P 8 +ATOM 4446 O OP1 . DC A 1 16 B -10.172 0.551 5.277 1.00 0.00 ? 7 DC A OP1 8 +ATOM 4447 O OP2 . DC A 1 16 B -7.703 0.597 4.670 1.00 0.00 ? 7 DC A OP2 8 +ATOM 4448 O "O5'" . DC A 1 16 B -9.085 2.694 4.613 1.00 0.00 ? 7 DC A "O5'" 8 +ATOM 4449 C "C5'" . DC A 1 16 B -8.454 3.888 5.056 1.00 0.00 ? 7 DC A "C5'" 8 +ATOM 4450 C "C4'" . DC A 1 16 B -6.948 4.031 4.766 1.00 0.00 ? 7 DC A "C4'" 8 +ATOM 4451 O "O4'" . DC A 1 16 B -6.182 3.075 5.472 1.00 0.00 ? 7 DC A "O4'" 8 +ATOM 4452 C "C3'" . DC A 1 16 B -6.524 3.875 3.299 1.00 0.00 ? 7 DC A "C3'" 8 +ATOM 4453 O "O3'" . DC A 1 16 B -6.429 5.144 2.682 1.00 0.00 ? 7 DC A "O3'" 8 +ATOM 4454 C "C2'" . DC A 1 16 B -5.146 3.214 3.445 1.00 0.00 ? 7 DC A "C2'" 8 +ATOM 4455 C "C1'" . DC A 1 16 B -4.882 3.103 4.947 1.00 0.00 ? 7 DC A "C1'" 8 +ATOM 4456 N N1 . DC A 1 16 B -4.003 1.953 5.245 1.00 0.00 ? 7 DC A N1 8 +ATOM 4457 C C2 . DC A 1 16 B -2.698 2.148 5.702 1.00 0.00 ? 7 DC A C2 8 +ATOM 4458 O O2 . DC A 1 16 B -2.190 3.262 5.740 1.00 0.00 ? 7 DC A O2 8 +ATOM 4459 N N3 . DC A 1 16 B -1.945 1.079 6.080 1.00 0.00 ? 7 DC A N3 8 +ATOM 4460 C C4 . DC A 1 16 B -2.469 -0.131 5.966 1.00 0.00 ? 7 DC A C4 8 +ATOM 4461 N N4 . DC A 1 16 B -1.745 -1.124 6.398 1.00 0.00 ? 7 DC A N4 8 +ATOM 4462 C C5 . DC A 1 16 B -3.726 -0.383 5.351 1.00 0.00 ? 7 DC A C5 8 +ATOM 4463 C C6 . DC A 1 16 B -4.450 0.698 4.996 1.00 0.00 ? 7 DC A C6 8 +ATOM 4464 H "H5'" . DC A 1 16 B -8.633 4.035 6.123 1.00 0.00 ? 7 DC A "H5'" 8 +ATOM 4465 H "H5''" . DC A 1 16 B -8.952 4.705 4.533 1.00 0.00 ? 7 DC A "H5''" 8 +ATOM 4466 H "H4'" . DC A 1 16 B -6.641 5.019 5.118 1.00 0.00 ? 7 DC A "H4'" 8 +ATOM 4467 H "H3'" . DC A 1 16 B -7.219 3.216 2.772 1.00 0.00 ? 7 DC A "H3'" 8 +ATOM 4468 H "H2'" . DC A 1 16 B -5.211 2.250 2.943 1.00 0.00 ? 7 DC A "H2'" 8 +ATOM 4469 H "H2''" . DC A 1 16 B -4.331 3.726 2.987 1.00 0.00 ? 7 DC A "H2''" 8 +ATOM 4470 H "H1'" . DC A 1 16 B -4.500 3.965 5.466 1.00 0.00 ? 7 DC A "H1'" 8 +ATOM 4471 H H41 . DC A 1 16 B -0.833 -0.858 6.736 1.00 0.00 ? 7 DC A H41 8 +ATOM 4472 H H42 . DC A 1 16 B -2.061 -2.071 6.319 1.00 0.00 ? 7 DC A H42 8 +ATOM 4473 H H5 . DC A 1 16 B -4.145 -1.356 5.183 1.00 0.00 ? 7 DC A H5 8 +ATOM 4474 H H6 . DC A 1 16 B -5.411 0.627 4.528 1.00 0.00 ? 7 DC A H6 8 +ATOM 4475 P P . DC A 1 17 B -5.963 5.314 1.151 1.00 0.00 ? 8 DC A P 8 +ATOM 4476 O OP1 . DC A 1 17 B -6.524 6.582 0.641 1.00 0.00 ? 8 DC A OP1 8 +ATOM 4477 O OP2 . DC A 1 17 B -6.222 4.048 0.433 1.00 0.00 ? 8 DC A OP2 8 +ATOM 4478 O "O5'" . DC A 1 17 B -4.367 5.491 1.274 1.00 0.00 ? 8 DC A "O5'" 8 +ATOM 4479 C "C5'" . DC A 1 17 B -3.796 6.603 1.945 1.00 0.00 ? 8 DC A "C5'" 8 +ATOM 4480 C "C4'" . DC A 1 17 B -2.257 6.537 1.935 1.00 0.00 ? 8 DC A "C4'" 8 +ATOM 4481 O "O4'" . DC A 1 17 B -1.793 5.425 2.702 1.00 0.00 ? 8 DC A "O4'" 8 +ATOM 4482 C "C3'" . DC A 1 17 B -1.685 6.402 0.509 1.00 0.00 ? 8 DC A "C3'" 8 +ATOM 4483 O "O3'" . DC A 1 17 B -0.519 7.192 0.389 1.00 0.00 ? 8 DC A "O3'" 8 +ATOM 4484 C "C2'" . DC A 1 17 B -1.323 4.923 0.508 1.00 0.00 ? 8 DC A "C2'" 8 +ATOM 4485 C "C1'" . DC A 1 17 B -0.816 4.751 1.938 1.00 0.00 ? 8 DC A "C1'" 8 +ATOM 4486 N N1 . DC A 1 17 B -0.782 3.310 2.331 1.00 0.00 ? 8 DC A N1 8 +ATOM 4487 C C2 . DC A 1 17 B 0.414 2.799 2.836 1.00 0.00 ? 8 DC A C2 8 +ATOM 4488 O O2 . DC A 1 17 B 1.419 3.493 2.912 1.00 0.00 ? 8 DC A O2 8 +ATOM 4489 N N3 . DC A 1 17 B 0.503 1.504 3.242 1.00 0.00 ? 8 DC A N3 8 +ATOM 4490 C C4 . DC A 1 17 B -0.577 0.748 3.172 1.00 0.00 ? 8 DC A C4 8 +ATOM 4491 N N4 . DC A 1 17 B -0.456 -0.484 3.574 1.00 0.00 ? 8 DC A N4 8 +ATOM 4492 C C5 . DC A 1 17 B -1.821 1.203 2.661 1.00 0.00 ? 8 DC A C5 8 +ATOM 4493 C C6 . DC A 1 17 B -1.887 2.486 2.241 1.00 0.00 ? 8 DC A C6 8 +ATOM 4494 H "H5'" . DC A 1 17 B -4.136 6.634 2.983 1.00 0.00 ? 8 DC A "H5'" 8 +ATOM 4495 H "H5''" . DC A 1 17 B -4.103 7.527 1.451 1.00 0.00 ? 8 DC A "H5''" 8 +ATOM 4496 H "H4'" . DC A 1 17 B -1.885 7.455 2.394 1.00 0.00 ? 8 DC A "H4'" 8 +ATOM 4497 H "H3'" . DC A 1 17 B -2.440 6.645 -0.244 1.00 0.00 ? 8 DC A "H3'" 8 +ATOM 4498 H "H2'" . DC A 1 17 B -2.242 4.389 0.292 1.00 0.00 ? 8 DC A "H2'" 8 +ATOM 4499 H "H2''" . DC A 1 17 B -0.581 4.598 -0.204 1.00 0.00 ? 8 DC A "H2''" 8 +ATOM 4500 H "H1'" . DC A 1 17 B 0.147 5.302 2.049 1.00 0.00 ? 8 DC A "H1'" 8 +ATOM 4501 H H41 . DC A 1 17 B 0.442 -0.747 3.944 1.00 0.00 ? 8 DC A H41 8 +ATOM 4502 H H42 . DC A 1 17 B -1.227 -1.118 3.500 1.00 0.00 ? 8 DC A H42 8 +ATOM 4503 H H5 . DC A 1 17 B -2.687 0.563 2.592 1.00 0.00 ? 8 DC A H5 8 +ATOM 4504 H H6 . DC A 1 17 B -2.836 2.801 1.819 1.00 0.00 ? 8 DC A H6 8 +ATOM 4505 P P . DT A 1 18 B -0.023 7.771 -1.024 1.00 0.00 ? 9 DT A P 8 +ATOM 4506 O OP1 . DT A 1 18 B 1.108 8.686 -0.768 1.00 0.00 ? 9 DT A OP1 8 +ATOM 4507 O OP2 . DT A 1 18 B -1.208 8.263 -1.760 1.00 0.00 ? 9 DT A OP2 8 +ATOM 4508 O "O5'" . DT A 1 18 B 0.554 6.487 -1.802 1.00 0.00 ? 9 DT A "O5'" 8 +ATOM 4509 C "C5'" . DT A 1 18 B -0.146 5.881 -2.875 1.00 0.00 ? 9 DT A "C5'" 8 +ATOM 4510 C "C4'" . DT A 1 18 B 0.750 4.814 -3.526 1.00 0.00 ? 9 DT A "C4'" 8 +ATOM 4511 O "O4'" . DT A 1 18 B 0.850 3.663 -2.687 1.00 0.00 ? 9 DT A "O4'" 8 +ATOM 4512 C "C3'" . DT A 1 18 B 0.189 4.319 -4.868 1.00 0.00 ? 9 DT A "C3'" 8 +ATOM 4513 O "O3'" . DT A 1 18 B 1.206 3.929 -5.768 1.00 0.00 ? 9 DT A "O3'" 8 +ATOM 4514 C "C2'" . DT A 1 18 B -0.624 3.105 -4.474 1.00 0.00 ? 9 DT A "C2'" 8 +ATOM 4515 C "C1'" . DT A 1 18 B 0.197 2.570 -3.305 1.00 0.00 ? 9 DT A "C1'" 8 +ATOM 4516 N N1 . DT A 1 18 B -0.525 1.786 -2.270 1.00 0.00 ? 9 DT A N1 8 +ATOM 4517 C C2 . DT A 1 18 B 0.227 0.816 -1.607 1.00 0.00 ? 9 DT A C2 8 +ATOM 4518 O O2 . DT A 1 18 B 1.411 0.595 -1.813 1.00 0.00 ? 9 DT A O2 8 +ATOM 4519 N N3 . DT A 1 18 B -0.433 0.038 -0.699 1.00 0.00 ? 9 DT A N3 8 +ATOM 4520 C C4 . DT A 1 18 B -1.757 0.139 -0.368 1.00 0.00 ? 9 DT A C4 8 +ATOM 4521 O O4 . DT A 1 18 B -2.228 -0.733 0.354 1.00 0.00 ? 9 DT A O4 8 +ATOM 4522 C C5 . DT A 1 18 B -2.444 1.307 -0.926 1.00 0.00 ? 9 DT A C5 8 +ATOM 4523 C C7 . DT A 1 18 B -3.887 1.643 -0.543 1.00 0.00 ? 9 DT A C7 8 +ATOM 4524 C C6 . DT A 1 18 B -1.806 2.091 -1.840 1.00 0.00 ? 9 DT A C6 8 +ATOM 4525 H "H5'" . DT A 1 18 B -0.369 6.641 -3.627 1.00 0.00 ? 9 DT A "H5'" 8 +ATOM 4526 H "H5''" . DT A 1 18 B -1.083 5.438 -2.532 1.00 0.00 ? 9 DT A "H5''" 8 +ATOM 4527 H "H4'" . DT A 1 18 B 1.732 5.271 -3.685 1.00 0.00 ? 9 DT A "H4'" 8 +ATOM 4528 H "H3'" . DT A 1 18 B -0.482 5.053 -5.316 1.00 0.00 ? 9 DT A "H3'" 8 +ATOM 4529 H "H2'" . DT A 1 18 B -1.604 3.456 -4.242 1.00 0.00 ? 9 DT A "H2'" 8 +ATOM 4530 H "H2''" . DT A 1 18 B -0.705 2.376 -5.278 1.00 0.00 ? 9 DT A "H2''" 8 +ATOM 4531 H "H1'" . DT A 1 18 B 0.928 1.933 -3.796 1.00 0.00 ? 9 DT A "H1'" 8 +ATOM 4532 H H3 . DT A 1 18 B 0.127 -0.645 -0.208 1.00 0.00 ? 9 DT A H3 8 +ATOM 4533 H H71 . DT A 1 18 B -4.018 2.714 -0.365 1.00 0.00 ? 9 DT A H71 8 +ATOM 4534 H H72 . DT A 1 18 B -4.564 1.351 -1.347 1.00 0.00 ? 9 DT A H72 8 +ATOM 4535 H H73 . DT A 1 18 B -4.193 1.117 0.364 1.00 0.00 ? 9 DT A H73 8 +ATOM 4536 H H6 . DT A 1 18 B -2.310 2.985 -2.181 1.00 0.00 ? 9 DT A H6 8 +ATOM 4537 O "O5'" . DA A 1 1 ? 8.570 -7.261 0.485 1.00 0.00 ? 1 DA A "O5'" 9 +ATOM 4538 C "C5'" . DA A 1 1 ? 7.257 -6.763 0.302 1.00 0.00 ? 1 DA A "C5'" 9 +ATOM 4539 C "C4'" . DA A 1 1 ? 6.951 -5.624 1.283 1.00 0.00 ? 1 DA A "C4'" 9 +ATOM 4540 O "O4'" . DA A 1 1 ? 5.616 -5.147 1.134 1.00 0.00 ? 1 DA A "O4'" 9 +ATOM 4541 C "C3'" . DA A 1 1 ? 7.106 -6.033 2.764 1.00 0.00 ? 1 DA A "C3'" 9 +ATOM 4542 O "O3'" . DA A 1 1 ? 7.915 -5.137 3.487 1.00 0.00 ? 1 DA A "O3'" 9 +ATOM 4543 C "C2'" . DA A 1 1 ? 5.676 -5.914 3.263 1.00 0.00 ? 1 DA A "C2'" 9 +ATOM 4544 C "C1'" . DA A 1 1 ? 5.185 -4.743 2.419 1.00 0.00 ? 1 DA A "C1'" 9 +ATOM 4545 N N9 . DA A 1 1 ? 3.719 -4.580 2.450 1.00 0.00 ? 1 DA A N9 9 +ATOM 4546 C C8 . DA A 1 1 ? 2.753 -5.458 2.878 1.00 0.00 ? 1 DA A C8 9 +ATOM 4547 N N7 . DA A 1 1 ? 1.529 -5.052 2.681 1.00 0.00 ? 1 DA A N7 9 +ATOM 4548 C C5 . DA A 1 1 ? 1.706 -3.792 2.099 1.00 0.00 ? 1 DA A C5 9 +ATOM 4549 C C6 . DA A 1 1 ? 0.843 -2.781 1.619 1.00 0.00 ? 1 DA A C6 9 +ATOM 4550 N N6 . DA A 1 1 ? -0.474 -2.867 1.613 1.00 0.00 ? 1 DA A N6 9 +ATOM 4551 N N1 . DA A 1 1 ? 1.324 -1.660 1.069 1.00 0.00 ? 1 DA A N1 9 +ATOM 4552 C C2 . DA A 1 1 ? 2.642 -1.505 1.019 1.00 0.00 ? 1 DA A C2 9 +ATOM 4553 N N3 . DA A 1 1 ? 3.572 -2.359 1.435 1.00 0.00 ? 1 DA A N3 9 +ATOM 4554 C C4 . DA A 1 1 ? 3.036 -3.494 1.967 1.00 0.00 ? 1 DA A C4 9 +ATOM 4555 H "H5'" . DA A 1 1 ? 6.548 -7.578 0.446 1.00 0.00 ? 1 DA A "H5'" 9 +ATOM 4556 H "H5''" . DA A 1 1 ? 7.163 -6.391 -0.719 1.00 0.00 ? 1 DA A "H5''" 9 +ATOM 4557 H "H4'" . DA A 1 1 ? 7.621 -4.791 1.059 1.00 0.00 ? 1 DA A "H4'" 9 +ATOM 4558 H "H3'" . DA A 1 1 ? 7.432 -7.068 2.895 1.00 0.00 ? 1 DA A "H3'" 9 +ATOM 4559 H "H2'" . DA A 1 1 ? 5.149 -6.837 3.018 1.00 0.00 ? 1 DA A "H2'" 9 +ATOM 4560 H "H2''" . DA A 1 1 ? 5.620 -5.712 4.333 1.00 0.00 ? 1 DA A "H2''" 9 +ATOM 4561 H "H1'" . DA A 1 1 ? 5.684 -3.813 2.697 1.00 0.00 ? 1 DA A "H1'" 9 +ATOM 4562 H H8 . DA A 1 1 ? 2.973 -6.418 3.322 1.00 0.00 ? 1 DA A H8 9 +ATOM 4563 H H61 . DA A 1 1 ? -0.986 -2.090 1.220 1.00 0.00 ? 1 DA A H61 9 +ATOM 4564 H H62 . DA A 1 1 ? -0.913 -3.690 1.987 1.00 0.00 ? 1 DA A H62 9 +ATOM 4565 H H2 . DA A 1 1 ? 2.999 -0.585 0.585 1.00 0.00 ? 1 DA A H2 9 +ATOM 4566 H "HO5'" . DA A 1 1 ? 9.111 -6.594 0.947 1.00 0.00 ? 1 DA A "HO5'" 9 +ATOM 4567 P P . DG A 1 2 ? 9.507 -5.271 3.429 1.00 0.00 ? 2 DG A P 9 +ATOM 4568 O OP1 . DG A 1 2 ? 9.871 -5.565 2.022 1.00 0.00 ? 2 DG A OP1 9 +ATOM 4569 O OP2 . DG A 1 2 ? 9.919 -6.197 4.502 1.00 0.00 ? 2 DG A OP2 9 +ATOM 4570 O "O5'" . DG A 1 2 ? 9.975 -3.781 3.804 1.00 0.00 ? 2 DG A "O5'" 9 +ATOM 4571 C "C5'" . DG A 1 2 ? 10.233 -2.798 2.815 1.00 0.00 ? 2 DG A "C5'" 9 +ATOM 4572 C "C4'" . DG A 1 2 ? 9.879 -1.383 3.307 1.00 0.00 ? 2 DG A "C4'" 9 +ATOM 4573 O "O4'" . DG A 1 2 ? 8.465 -1.205 3.274 1.00 0.00 ? 2 DG A "O4'" 9 +ATOM 4574 C "C3'" . DG A 1 2 ? 10.346 -1.065 4.743 1.00 0.00 ? 2 DG A "C3'" 9 +ATOM 4575 O "O3'" . DG A 1 2 ? 10.702 0.308 4.777 1.00 0.00 ? 2 DG A "O3'" 9 +ATOM 4576 C "C2'" . DG A 1 2 ? 9.080 -1.367 5.536 1.00 0.00 ? 2 DG A "C2'" 9 +ATOM 4577 C "C1'" . DG A 1 2 ? 8.033 -0.834 4.568 1.00 0.00 ? 2 DG A "C1'" 9 +ATOM 4578 N N9 . DG A 1 2 ? 6.673 -1.349 4.796 1.00 0.00 ? 2 DG A N9 9 +ATOM 4579 C C8 . DG A 1 2 ? 6.266 -2.613 5.137 1.00 0.00 ? 2 DG A C8 9 +ATOM 4580 N N7 . DG A 1 2 ? 4.973 -2.801 5.059 1.00 0.00 ? 2 DG A N7 9 +ATOM 4581 C C5 . DG A 1 2 ? 4.488 -1.559 4.627 1.00 0.00 ? 2 DG A C5 9 +ATOM 4582 C C6 . DG A 1 2 ? 3.165 -1.071 4.348 1.00 0.00 ? 2 DG A C6 9 +ATOM 4583 O O6 . DG A 1 2 ? 2.099 -1.669 4.402 1.00 0.00 ? 2 DG A O6 9 +ATOM 4584 N N1 . DG A 1 2 ? 3.115 0.254 3.946 1.00 0.00 ? 2 DG A N1 9 +ATOM 4585 C C2 . DG A 1 2 ? 4.222 1.014 3.788 1.00 0.00 ? 2 DG A C2 9 +ATOM 4586 N N2 . DG A 1 2 ? 4.048 2.275 3.522 1.00 0.00 ? 2 DG A N2 9 +ATOM 4587 N N3 . DG A 1 2 ? 5.459 0.603 4.017 1.00 0.00 ? 2 DG A N3 9 +ATOM 4588 C C4 . DG A 1 2 ? 5.532 -0.689 4.432 1.00 0.00 ? 2 DG A C4 9 +ATOM 4589 H "H5'" . DG A 1 2 ? 9.666 -2.977 1.897 1.00 0.00 ? 2 DG A "H5'" 9 +ATOM 4590 H "H5''" . DG A 1 2 ? 11.296 -2.840 2.571 1.00 0.00 ? 2 DG A "H5''" 9 +ATOM 4591 H "H4'" . DG A 1 2 ? 10.325 -0.678 2.602 1.00 0.00 ? 2 DG A "H4'" 9 +ATOM 4592 H "H3'" . DG A 1 2 ? 11.171 -1.701 5.064 1.00 0.00 ? 2 DG A "H3'" 9 +ATOM 4593 H "H2'" . DG A 1 2 ? 9.008 -2.443 5.669 1.00 0.00 ? 2 DG A "H2'" 9 +ATOM 4594 H "H2''" . DG A 1 2 ? 9.044 -0.885 6.510 1.00 0.00 ? 2 DG A "H2''" 9 +ATOM 4595 H "H1'" . DG A 1 2 ? 8.032 0.256 4.631 1.00 0.00 ? 2 DG A "H1'" 9 +ATOM 4596 H H8 . DG A 1 2 ? 6.956 -3.394 5.425 1.00 0.00 ? 2 DG A H8 9 +ATOM 4597 H H1 . DG A 1 2 ? 2.211 0.670 3.756 1.00 0.00 ? 2 DG A H1 9 +ATOM 4598 H H21 . DG A 1 2 ? 3.123 2.671 3.456 1.00 0.00 ? 2 DG A H21 9 +ATOM 4599 H H22 . DG A 1 2 ? 4.886 2.825 3.551 1.00 0.00 ? 2 DG A H22 9 +ATOM 4600 P P . DG A 1 3 ? 11.009 1.109 6.136 1.00 0.00 ? 3 DG A P 9 +ATOM 4601 O OP1 . DG A 1 3 ? 12.042 2.122 5.832 1.00 0.00 ? 3 DG A OP1 9 +ATOM 4602 O OP2 . DG A 1 3 ? 11.235 0.130 7.220 1.00 0.00 ? 3 DG A OP2 9 +ATOM 4603 O "O5'" . DG A 1 3 ? 9.607 1.875 6.394 1.00 0.00 ? 3 DG A "O5'" 9 +ATOM 4604 C "C5'" . DG A 1 3 ? 9.181 2.908 5.516 1.00 0.00 ? 3 DG A "C5'" 9 +ATOM 4605 C "C4'" . DG A 1 3 ? 7.876 3.607 5.942 1.00 0.00 ? 3 DG A "C4'" 9 +ATOM 4606 O "O4'" . DG A 1 3 ? 6.711 2.794 5.831 1.00 0.00 ? 3 DG A "O4'" 9 +ATOM 4607 C "C3'" . DG A 1 3 ? 7.884 4.196 7.365 1.00 0.00 ? 3 DG A "C3'" 9 +ATOM 4608 O "O3'" . DG A 1 3 ? 7.621 5.585 7.322 1.00 0.00 ? 3 DG A "O3'" 9 +ATOM 4609 C "C2'" . DG A 1 3 ? 6.739 3.422 8.013 1.00 0.00 ? 3 DG A "C2'" 9 +ATOM 4610 C "C1'" . DG A 1 3 ? 5.799 3.203 6.836 1.00 0.00 ? 3 DG A "C1'" 9 +ATOM 4611 N N9 . DG A 1 3 ? 4.825 2.116 7.077 1.00 0.00 ? 3 DG A N9 9 +ATOM 4612 C C8 . DG A 1 3 ? 5.090 0.823 7.447 1.00 0.00 ? 3 DG A C8 9 +ATOM 4613 N N7 . DG A 1 3 ? 4.047 0.042 7.474 1.00 0.00 ? 3 DG A N7 9 +ATOM 4614 C C5 . DG A 1 3 ? 2.999 0.887 7.103 1.00 0.00 ? 3 DG A C5 9 +ATOM 4615 C C6 . DG A 1 3 ? 1.597 0.640 6.917 1.00 0.00 ? 3 DG A C6 9 +ATOM 4616 O O6 . DG A 1 3 ? 0.979 -0.408 7.047 1.00 0.00 ? 3 DG A O6 9 +ATOM 4617 N N1 . DG A 1 3 ? 0.867 1.751 6.553 1.00 0.00 ? 3 DG A N1 9 +ATOM 4618 C C2 . DG A 1 3 ? 1.421 2.971 6.367 1.00 0.00 ? 3 DG A C2 9 +ATOM 4619 N N2 . DG A 1 3 ? 0.591 3.941 6.101 1.00 0.00 ? 3 DG A N2 9 +ATOM 4620 N N3 . DG A 1 3 ? 2.715 3.248 6.526 1.00 0.00 ? 3 DG A N3 9 +ATOM 4621 C C4 . DG A 1 3 ? 3.462 2.165 6.888 1.00 0.00 ? 3 DG A C4 9 +ATOM 4622 H "H5'" . DG A 1 3 ? 9.042 2.507 4.509 1.00 0.00 ? 3 DG A "H5'" 9 +ATOM 4623 H "H5''" . DG A 1 3 ? 9.954 3.679 5.471 1.00 0.00 ? 3 DG A "H5''" 9 +ATOM 4624 H "H4'" . DG A 1 3 ? 7.732 4.427 5.235 1.00 0.00 ? 3 DG A "H4'" 9 +ATOM 4625 H "H3'" . DG A 1 3 ? 8.833 3.992 7.867 1.00 0.00 ? 3 DG A "H3'" 9 +ATOM 4626 H "H2'" . DG A 1 3 ? 7.097 2.486 8.423 1.00 0.00 ? 3 DG A "H2'" 9 +ATOM 4627 H "H2''" . DG A 1 3 ? 6.268 3.991 8.802 1.00 0.00 ? 3 DG A "H2''" 9 +ATOM 4628 H "H1'" . DG A 1 3 ? 5.313 4.142 6.573 1.00 0.00 ? 3 DG A "H1'" 9 +ATOM 4629 H H8 . DG A 1 3 ? 6.081 0.468 7.682 1.00 0.00 ? 3 DG A H8 9 +ATOM 4630 H H1 . DG A 1 3 ? -0.132 1.615 6.445 1.00 0.00 ? 3 DG A H1 9 +ATOM 4631 H H21 . DG A 1 3 ? -0.403 3.767 6.051 1.00 0.00 ? 3 DG A H21 9 +ATOM 4632 H H22 . DG A 1 3 ? 0.999 4.855 6.026 1.00 0.00 ? 3 DG A H22 9 +ATOM 4633 P P . DA A 1 4 ? 7.681 6.499 8.643 1.00 0.00 ? 4 DA A P 9 +ATOM 4634 O OP1 . DA A 1 4 ? 8.399 7.746 8.303 1.00 0.00 ? 4 DA A OP1 9 +ATOM 4635 O OP2 . DA A 1 4 ? 8.134 5.669 9.779 1.00 0.00 ? 4 DA A OP2 9 +ATOM 4636 O "O5'" . DA A 1 4 ? 6.132 6.858 8.876 1.00 0.00 ? 4 DA A "O5'" 9 +ATOM 4637 C "C5'" . DA A 1 4 ? 5.432 7.681 7.958 1.00 0.00 ? 4 DA A "C5'" 9 +ATOM 4638 C "C4'" . DA A 1 4 ? 4.005 7.998 8.436 1.00 0.00 ? 4 DA A "C4'" 9 +ATOM 4639 O "O4'" . DA A 1 4 ? 3.200 6.822 8.471 1.00 0.00 ? 4 DA A "O4'" 9 +ATOM 4640 C "C3'" . DA A 1 4 ? 3.964 8.644 9.832 1.00 0.00 ? 4 DA A "C3'" 9 +ATOM 4641 O "O3'" . DA A 1 4 ? 2.953 9.633 9.849 1.00 0.00 ? 4 DA A "O3'" 9 +ATOM 4642 C "C2'" . DA A 1 4 ? 3.653 7.433 10.710 1.00 0.00 ? 4 DA A "C2'" 9 +ATOM 4643 C "C1'" . DA A 1 4 ? 2.736 6.626 9.794 1.00 0.00 ? 4 DA A "C1'" 9 +ATOM 4644 N N9 . DA A 1 4 ? 2.722 5.171 10.063 1.00 0.00 ? 4 DA A N9 9 +ATOM 4645 C C8 . DA A 1 4 ? 3.776 4.318 10.316 1.00 0.00 ? 4 DA A C8 9 +ATOM 4646 N N7 . DA A 1 4 ? 3.463 3.051 10.301 1.00 0.00 ? 4 DA A N7 9 +ATOM 4647 C C5 . DA A 1 4 ? 2.104 3.065 9.981 1.00 0.00 ? 4 DA A C5 9 +ATOM 4648 C C6 . DA A 1 4 ? 1.107 2.078 9.818 1.00 0.00 ? 4 DA A C6 9 +ATOM 4649 N N6 . DA A 1 4 ? 1.313 0.787 9.975 1.00 0.00 ? 4 DA A N6 9 +ATOM 4650 N N1 . DA A 1 4 ? -0.145 2.408 9.487 1.00 0.00 ? 4 DA A N1 9 +ATOM 4651 C C2 . DA A 1 4 ? -0.432 3.694 9.325 1.00 0.00 ? 4 DA A C2 9 +ATOM 4652 N N3 . DA A 1 4 ? 0.394 4.726 9.464 1.00 0.00 ? 4 DA A N3 9 +ATOM 4653 C C4 . DA A 1 4 ? 1.661 4.345 9.787 1.00 0.00 ? 4 DA A C4 9 +ATOM 4654 H "H5'" . DA A 1 4 ? 5.375 7.188 6.985 1.00 0.00 ? 4 DA A "H5'" 9 +ATOM 4655 H "H5''" . DA A 1 4 ? 5.957 8.630 7.834 1.00 0.00 ? 4 DA A "H5''" 9 +ATOM 4656 H "H4'" . DA A 1 4 ? 3.572 8.681 7.703 1.00 0.00 ? 4 DA A "H4'" 9 +ATOM 4657 H "H3'" . DA A 1 4 ? 4.927 9.093 10.092 1.00 0.00 ? 4 DA A "H3'" 9 +ATOM 4658 H "H2'" . DA A 1 4 ? 4.586 6.923 10.933 1.00 0.00 ? 4 DA A "H2'" 9 +ATOM 4659 H "H2''" . DA A 1 4 ? 3.158 7.695 11.645 1.00 0.00 ? 4 DA A "H2''" 9 +ATOM 4660 H "H1'" . DA A 1 4 ? 1.728 7.045 9.867 1.00 0.00 ? 4 DA A "H1'" 9 +ATOM 4661 H H8 . DA A 1 4 ? 4.792 4.624 10.523 1.00 0.00 ? 4 DA A H8 9 +ATOM 4662 H H61 . DA A 1 4 ? 0.529 0.164 9.847 1.00 0.00 ? 4 DA A H61 9 +ATOM 4663 H H62 . DA A 1 4 ? 2.231 0.462 10.230 1.00 0.00 ? 4 DA A H62 9 +ATOM 4664 H H2 . DA A 1 4 ? -1.449 3.933 9.063 1.00 0.00 ? 4 DA A H2 9 +ATOM 4665 P P . DT A 1 5 ? 2.620 10.501 11.157 1.00 0.00 ? 5 DT A P 9 +ATOM 4666 O OP1 . DT A 1 5 ? 2.375 11.900 10.749 1.00 0.00 ? 5 DT A OP1 9 +ATOM 4667 O OP2 . DT A 1 5 ? 3.620 10.196 12.204 1.00 0.00 ? 5 DT A OP2 9 +ATOM 4668 O "O5'" . DT A 1 5 ? 1.223 9.833 11.565 1.00 0.00 ? 5 DT A "O5'" 9 +ATOM 4669 C "C5'" . DT A 1 5 ? 0.794 9.720 12.908 1.00 0.00 ? 5 DT A "C5'" 9 +ATOM 4670 C "C4'" . DT A 1 5 ? -0.492 8.879 12.929 1.00 0.00 ? 5 DT A "C4'" 9 +ATOM 4671 O "O4'" . DT A 1 5 ? -0.207 7.573 12.423 1.00 0.00 ? 5 DT A "O4'" 9 +ATOM 4672 C "C3'" . DT A 1 5 ? -1.065 8.696 14.349 1.00 0.00 ? 5 DT A "C3'" 9 +ATOM 4673 O "O3'" . DT A 1 5 ? -2.478 8.751 14.351 1.00 0.00 ? 5 DT A "O3'" 9 +ATOM 4674 C "C2'" . DT A 1 5 ? -0.650 7.263 14.648 1.00 0.00 ? 5 DT A "C2'" 9 +ATOM 4675 C "C1'" . DT A 1 5 ? -0.805 6.629 13.274 1.00 0.00 ? 5 DT A "C1'" 9 +ATOM 4676 N N1 . DT A 1 5 ? -0.081 5.329 13.173 1.00 0.00 ? 5 DT A N1 9 +ATOM 4677 C C2 . DT A 1 5 ? -0.844 4.233 12.786 1.00 0.00 ? 5 DT A C2 9 +ATOM 4678 O O2 . DT A 1 5 ? -2.039 4.275 12.543 1.00 0.00 ? 5 DT A O2 9 +ATOM 4679 N N3 . DT A 1 5 ? -0.206 3.029 12.713 1.00 0.00 ? 5 DT A N3 9 +ATOM 4680 C C4 . DT A 1 5 ? 1.105 2.785 13.012 1.00 0.00 ? 5 DT A C4 9 +ATOM 4681 O O4 . DT A 1 5 ? 1.486 1.621 12.988 1.00 0.00 ? 5 DT A O4 9 +ATOM 4682 C C5 . DT A 1 5 ? 1.890 3.973 13.353 1.00 0.00 ? 5 DT A C5 9 +ATOM 4683 C C7 . DT A 1 5 ? 3.391 3.879 13.634 1.00 0.00 ? 5 DT A C7 9 +ATOM 4684 C C6 . DT A 1 5 ? 1.279 5.187 13.436 1.00 0.00 ? 5 DT A C6 9 +ATOM 4685 H "H5'" . DT A 1 5 ? 0.591 10.712 13.318 1.00 0.00 ? 5 DT A "H5'" 9 +ATOM 4686 H "H5''" . DT A 1 5 ? 1.551 9.225 13.519 1.00 0.00 ? 5 DT A "H5''" 9 +ATOM 4687 H "H4'" . DT A 1 5 ? -1.236 9.364 12.293 1.00 0.00 ? 5 DT A "H4'" 9 +ATOM 4688 H "H3'" . DT A 1 5 ? -0.595 9.360 15.079 1.00 0.00 ? 5 DT A "H3'" 9 +ATOM 4689 H "H2'" . DT A 1 5 ? 0.397 7.283 14.951 1.00 0.00 ? 5 DT A "H2'" 9 +ATOM 4690 H "H2''" . DT A 1 5 ? -1.272 6.757 15.401 1.00 0.00 ? 5 DT A "H2''" 9 +ATOM 4691 H "H1'" . DT A 1 5 ? -1.877 6.582 13.026 1.00 0.00 ? 5 DT A "H1'" 9 +ATOM 4692 H H3 . DT A 1 5 ? -0.801 2.235 12.516 1.00 0.00 ? 5 DT A H3 9 +ATOM 4693 H H71 . DT A 1 5 ? 3.569 3.811 14.708 1.00 0.00 ? 5 DT A H71 9 +ATOM 4694 H H72 . DT A 1 5 ? 3.811 2.994 13.152 1.00 0.00 ? 5 DT A H72 9 +ATOM 4695 H H73 . DT A 1 5 ? 3.923 4.749 13.240 1.00 0.00 ? 5 DT A H73 9 +ATOM 4696 H H6 . DT A 1 5 ? 1.894 6.011 13.782 1.00 0.00 ? 5 DT A H6 9 +ATOM 4697 P P . DC A 1 6 ? -3.276 10.016 14.943 1.00 0.00 ? 6 DC A P 9 +ATOM 4698 O OP1 . DC A 1 6 ? -4.462 10.257 14.095 1.00 0.00 ? 6 DC A OP1 9 +ATOM 4699 O OP2 . DC A 1 6 ? -2.310 11.109 15.187 1.00 0.00 ? 6 DC A OP2 9 +ATOM 4700 O "O5'" . DC A 1 6 ? -3.784 9.475 16.373 1.00 0.00 ? 6 DC A "O5'" 9 +ATOM 4701 C "C5'" . DC A 1 6 ? -2.884 9.083 17.399 1.00 0.00 ? 6 DC A "C5'" 9 +ATOM 4702 C "C4'" . DC A 1 6 ? -3.202 7.651 17.862 1.00 0.00 ? 6 DC A "C4'" 9 +ATOM 4703 O "O4'" . DC A 1 6 ? -2.990 6.727 16.787 1.00 0.00 ? 6 DC A "O4'" 9 +ATOM 4704 C "C3'" . DC A 1 6 ? -2.300 7.207 19.043 1.00 0.00 ? 6 DC A "C3'" 9 +ATOM 4705 O "O3'" . DC A 1 6 ? -3.032 6.543 20.048 1.00 0.00 ? 6 DC A "O3'" 9 +ATOM 4706 C "C2'" . DC A 1 6 ? -1.373 6.235 18.335 1.00 0.00 ? 6 DC A "C2'" 9 +ATOM 4707 C "C1'" . DC A 1 6 ? -2.344 5.606 17.332 1.00 0.00 ? 6 DC A "C1'" 9 +ATOM 4708 N N1 . DC A 1 6 ? -1.682 4.599 16.463 1.00 0.00 ? 6 DC A N1 9 +ATOM 4709 C C2 . DC A 1 6 ? -2.191 3.292 16.419 1.00 0.00 ? 6 DC A C2 9 +ATOM 4710 O O2 . DC A 1 6 ? -3.390 3.077 16.549 1.00 0.00 ? 6 DC A O2 9 +ATOM 4711 N N3 . DC A 1 6 ? -1.361 2.222 16.239 1.00 0.00 ? 6 DC A N3 9 +ATOM 4712 C C4 . DC A 1 6 ? -0.056 2.445 16.168 1.00 0.00 ? 6 DC A C4 9 +ATOM 4713 N N4 . DC A 1 6 ? 0.718 1.413 15.993 1.00 0.00 ? 6 DC A N4 9 +ATOM 4714 C C5 . DC A 1 6 ? 0.490 3.757 16.192 1.00 0.00 ? 6 DC A C5 9 +ATOM 4715 C C6 . DC A 1 6 ? -0.347 4.766 16.304 1.00 0.00 ? 6 DC A C6 9 +ATOM 4716 H "H5'" . DC A 1 6 ? -3.023 9.767 18.239 1.00 0.00 ? 6 DC A "H5'" 9 +ATOM 4717 H "H5''" . DC A 1 6 ? -1.837 9.133 17.095 1.00 0.00 ? 6 DC A "H5''" 9 +ATOM 4718 H "H4'" . DC A 1 6 ? -4.249 7.611 18.170 1.00 0.00 ? 6 DC A "H4'" 9 +ATOM 4719 H "H3'" . DC A 1 6 ? -1.724 8.048 19.433 1.00 0.00 ? 6 DC A "H3'" 9 +ATOM 4720 H "H2'" . DC A 1 6 ? -0.631 6.885 17.887 1.00 0.00 ? 6 DC A "H2'" 9 +ATOM 4721 H "H2''" . DC A 1 6 ? -0.816 5.473 18.889 1.00 0.00 ? 6 DC A "H2''" 9 +ATOM 4722 H "H1'" . DC A 1 6 ? -3.133 5.134 17.823 1.00 0.00 ? 6 DC A "H1'" 9 +ATOM 4723 H H41 . DC A 1 6 ? 0.258 0.516 15.995 1.00 0.00 ? 6 DC A H41 9 +ATOM 4724 H H42 . DC A 1 6 ? 1.705 1.528 15.863 1.00 0.00 ? 6 DC A H42 9 +ATOM 4725 H H5 . DC A 1 6 ? 1.454 4.186 16.308 1.00 0.00 ? 6 DC A H5 9 +ATOM 4726 H H6 . DC A 1 6 ? 0.155 5.711 16.362 1.00 0.00 ? 6 DC A H6 9 +ATOM 4727 P P . DC A 1 7 ? -2.431 6.390 21.529 1.00 0.00 ? 7 DC A P 9 +ATOM 4728 O OP1 . DC A 1 7 ? -2.795 7.596 22.299 1.00 0.00 ? 7 DC A OP1 9 +ATOM 4729 O OP2 . DC A 1 7 ? -1.015 5.987 21.401 1.00 0.00 ? 7 DC A OP2 9 +ATOM 4730 O "O5'" . DC A 1 7 ? -3.253 5.131 22.093 1.00 0.00 ? 7 DC A "O5'" 9 +ATOM 4731 C "C5'" . DC A 1 7 ? -4.627 5.213 22.429 1.00 0.00 ? 7 DC A "C5'" 9 +ATOM 4732 C "C4'" . DC A 1 7 ? -5.314 3.834 22.572 1.00 0.00 ? 7 DC A "C4'" 9 +ATOM 4733 O "O4'" . DC A 1 7 ? -5.453 3.188 21.285 1.00 0.00 ? 7 DC A "O4'" 9 +ATOM 4734 C "C3'" . DC A 1 7 ? -4.533 2.836 23.454 1.00 0.00 ? 7 DC A "C3'" 9 +ATOM 4735 O "O3'" . DC A 1 7 ? -5.395 1.865 24.011 1.00 0.00 ? 7 DC A "O3'" 9 +ATOM 4736 C "C2'" . DC A 1 7 ? -3.677 2.151 22.397 1.00 0.00 ? 7 DC A "C2'" 9 +ATOM 4737 C "C1'" . DC A 1 7 ? -4.647 2.002 21.222 1.00 0.00 ? 7 DC A "C1'" 9 +ATOM 4738 N N1 . DC A 1 7 ? -3.824 1.917 19.981 1.00 0.00 ? 7 DC A N1 9 +ATOM 4739 C C2 . DC A 1 7 ? -3.552 0.608 19.582 1.00 0.00 ? 7 DC A C2 9 +ATOM 4740 O O2 . DC A 1 7 ? -4.438 -0.236 19.553 1.00 0.00 ? 7 DC A O2 9 +ATOM 4741 N N3 . DC A 1 7 ? -2.290 0.221 19.265 1.00 0.00 ? 7 DC A N3 9 +ATOM 4742 C C4 . DC A 1 7 ? -1.341 1.136 19.270 1.00 0.00 ? 7 DC A C4 9 +ATOM 4743 N N4 . DC A 1 7 ? -0.120 0.717 19.106 1.00 0.00 ? 7 DC A N4 9 +ATOM 4744 C C5 . DC A 1 7 ? -1.591 2.508 19.526 1.00 0.00 ? 7 DC A C5 9 +ATOM 4745 C C6 . DC A 1 7 ? -2.859 2.879 19.792 1.00 0.00 ? 7 DC A C6 9 +ATOM 4746 H "H5'" . DC A 1 7 ? -5.176 5.776 21.669 1.00 0.00 ? 7 DC A "H5'" 9 +ATOM 4747 H "H5''" . DC A 1 7 ? -4.712 5.749 23.377 1.00 0.00 ? 7 DC A "H5''" 9 +ATOM 4748 H "H4'" . DC A 1 7 ? -6.280 4.104 23.037 1.00 0.00 ? 7 DC A "H4'" 9 +ATOM 4749 H "H3'" . DC A 1 7 ? -3.907 3.331 24.206 1.00 0.00 ? 7 DC A "H3'" 9 +ATOM 4750 H "H2'" . DC A 1 7 ? -2.868 2.838 22.208 1.00 0.00 ? 7 DC A "H2'" 9 +ATOM 4751 H "H2''" . DC A 1 7 ? -3.168 1.226 22.624 1.00 0.00 ? 7 DC A "H2''" 9 +ATOM 4752 H "H1'" . DC A 1 7 ? -5.243 1.070 21.376 1.00 0.00 ? 7 DC A "H1'" 9 +ATOM 4753 H H41 . DC A 1 7 ? -0.016 -0.276 18.979 1.00 0.00 ? 7 DC A H41 9 +ATOM 4754 H H42 . DC A 1 7 ? 0.638 1.324 19.376 1.00 0.00 ? 7 DC A H42 9 +ATOM 4755 H H5 . DC A 1 7 ? -0.821 3.223 19.704 1.00 0.00 ? 7 DC A H5 9 +ATOM 4756 H H6 . DC A 1 7 ? -3.031 3.931 20.000 1.00 0.00 ? 7 DC A H6 9 +ATOM 4757 P P . DU A 1 8 ? -5.991 2.068 25.481 1.00 0.00 ? 8 DU A P 9 +ATOM 4758 O OP1 . DU A 1 8 ? -7.062 1.077 25.712 1.00 0.00 ? 8 DU A OP1 9 +ATOM 4759 O OP2 . DU A 1 8 ? -6.234 3.509 25.693 1.00 0.00 ? 8 DU A OP2 9 +ATOM 4760 O "O5'" . DU A 1 8 ? -4.706 1.622 26.334 1.00 0.00 ? 8 DU A "O5'" 9 +ATOM 4761 C "C5'" . DU A 1 8 ? -4.410 0.248 26.525 1.00 0.00 ? 8 DU A "C5'" 9 +ATOM 4762 C "C4'" . DU A 1 8 ? -2.914 0.040 26.803 1.00 0.00 ? 8 DU A "C4'" 9 +ATOM 4763 O "O4'" . DU A 1 8 ? -2.171 0.134 25.580 1.00 0.00 ? 8 DU A "O4'" 9 +ATOM 4764 C "C3'" . DU A 1 8 ? -2.288 1.067 27.773 1.00 0.00 ? 8 DU A "C3'" 9 +ATOM 4765 O "O3'" . DU A 1 8 ? -1.423 0.394 28.702 1.00 0.00 ? 8 DU A "O3'" 9 +ATOM 4766 C "C2'" . DU A 1 8 ? -1.499 1.966 26.810 1.00 0.00 ? 8 DU A "C2'" 9 +ATOM 4767 C "C1'" . DU A 1 8 ? -1.018 0.925 25.803 1.00 0.00 ? 8 DU A "C1'" 9 +ATOM 4768 N N1 . DU A 1 8 ? -0.426 1.367 24.531 1.00 0.00 ? 8 DU A N1 9 +ATOM 4769 C C2 . DU A 1 8 ? 0.246 0.374 23.815 1.00 0.00 ? 8 DU A C2 9 +ATOM 4770 O O2 . DU A 1 8 ? 0.444 -0.761 24.220 1.00 0.00 ? 8 DU A O2 9 +ATOM 4771 N N3 . DU A 1 8 ? 0.766 0.737 22.600 1.00 0.00 ? 8 DU A N3 9 +ATOM 4772 C C4 . DU A 1 8 ? 0.714 1.994 22.054 1.00 0.00 ? 8 DU A C4 9 +ATOM 4773 O O4 . DU A 1 8 ? 1.288 2.196 20.990 1.00 0.00 ? 8 DU A O4 9 +ATOM 4774 C C5 . DU A 1 8 ? -0.018 2.971 22.833 1.00 0.00 ? 8 DU A C5 9 +ATOM 4775 C C6 . DU A 1 8 ? -0.569 2.652 24.033 1.00 0.00 ? 8 DU A C6 9 +ATOM 4776 H "H5'" . DU A 1 8 ? -4.663 -0.349 25.644 1.00 0.00 ? 8 DU A "H5'" 9 +ATOM 4777 H "H5''" . DU A 1 8 ? -4.987 -0.123 27.373 1.00 0.00 ? 8 DU A "H5''" 9 +ATOM 4778 H "H4'" . DU A 1 8 ? -2.763 -0.976 27.198 1.00 0.00 ? 8 DU A "H4'" 9 +ATOM 4779 H "H3'" . DU A 1 8 ? -3.093 1.616 28.284 1.00 0.00 ? 8 DU A "H3'" 9 +ATOM 4780 H "H2'" . DU A 1 8 ? -2.213 2.665 26.363 1.00 0.00 ? 8 DU A "H2'" 9 +ATOM 4781 H "H2''" . DU A 1 8 ? -0.673 2.491 27.308 1.00 0.00 ? 8 DU A "H2''" 9 +ATOM 4782 H "H1'" . DU A 1 8 ? -0.321 0.265 26.344 1.00 0.00 ? 8 DU A "H1'" 9 +ATOM 4783 H H3 . DU A 1 8 ? 1.215 0.008 22.065 1.00 0.00 ? 8 DU A H3 9 +ATOM 4784 H H5 . DU A 1 8 ? -0.121 3.969 22.439 1.00 0.00 ? 8 DU A H5 9 +ATOM 4785 H H6 . DU A 1 8 ? -1.100 3.443 24.541 1.00 0.00 ? 8 DU A H6 9 +ATOM 4786 P P . DT A 1 9 ? -1.084 1.289 30.013 1.00 0.00 ? 9 DT A P 9 +ATOM 4787 O OP1 . DT A 1 9 ? -2.243 1.164 30.924 1.00 0.00 ? 9 DT A OP1 9 +ATOM 4788 O OP2 . DT A 1 9 ? -0.637 2.641 29.611 1.00 0.00 ? 9 DT A OP2 9 +ATOM 4789 O "O5'" . DT A 1 9 ? 0.155 0.504 30.693 1.00 0.00 ? 9 DT A "O5'" 9 +ATOM 4790 C "C5'" . DT A 1 9 ? 1.509 0.665 30.285 1.00 0.00 ? 9 DT A "C5'" 9 +ATOM 4791 C "C4'" . DT A 1 9 ? 1.807 0.262 28.824 1.00 0.00 ? 9 DT A "C4'" 9 +ATOM 4792 O "O4'" . DT A 1 9 ? 1.388 1.305 27.957 1.00 0.00 ? 9 DT A "O4'" 9 +ATOM 4793 C "C3'" . DT A 1 9 ? 3.320 0.063 28.572 1.00 0.00 ? 9 DT A "C3'" 9 +ATOM 4794 O "O3'" . DT A 1 9 ? 3.645 -1.273 28.229 1.00 0.00 ? 9 DT A "O3'" 9 +ATOM 4795 C "C2'" . DT A 1 9 ? 3.632 0.912 27.335 1.00 0.00 ? 9 DT A "C2'" 9 +ATOM 4796 C "C1'" . DT A 1 9 ? 2.284 1.449 26.882 1.00 0.00 ? 9 DT A "C1'" 9 +ATOM 4797 N N1 . DT A 1 9 ? 2.386 2.874 26.432 1.00 0.00 ? 9 DT A N1 9 +ATOM 4798 C C2 . DT A 1 9 ? 2.323 3.858 27.425 1.00 0.00 ? 9 DT A C2 9 +ATOM 4799 O O2 . DT A 1 9 ? 2.485 3.667 28.621 1.00 0.00 ? 9 DT A O2 9 +ATOM 4800 N N3 . DT A 1 9 ? 2.162 5.150 27.005 1.00 0.00 ? 9 DT A N3 9 +ATOM 4801 C C4 . DT A 1 9 ? 2.244 5.586 25.709 1.00 0.00 ? 9 DT A C4 9 +ATOM 4802 O O4 . DT A 1 9 ? 2.096 6.782 25.500 1.00 0.00 ? 9 DT A O4 9 +ATOM 4803 C C5 . DT A 1 9 ? 2.567 4.550 24.727 1.00 0.00 ? 9 DT A C5 9 +ATOM 4804 C C7 . DT A 1 9 ? 2.825 4.922 23.264 1.00 0.00 ? 9 DT A C7 9 +ATOM 4805 C C6 . DT A 1 9 ? 2.633 3.245 25.114 1.00 0.00 ? 9 DT A C6 9 +ATOM 4806 H "H5'" . DT A 1 9 ? 2.091 0.014 30.939 1.00 0.00 ? 9 DT A "H5'" 9 +ATOM 4807 H "H5''" . DT A 1 9 ? 1.838 1.690 30.465 1.00 0.00 ? 9 DT A "H5''" 9 +ATOM 4808 H "H4'" . DT A 1 9 ? 1.255 -0.652 28.610 1.00 0.00 ? 9 DT A "H4'" 9 +ATOM 4809 H "H3'" . DT A 1 9 ? 3.926 0.414 29.412 1.00 0.00 ? 9 DT A "H3'" 9 +ATOM 4810 H "H2'" . DT A 1 9 ? 4.282 1.743 27.604 1.00 0.00 ? 9 DT A "H2'" 9 +ATOM 4811 H "H2''" . DT A 1 9 ? 4.116 0.353 26.538 1.00 0.00 ? 9 DT A "H2''" 9 +ATOM 4812 H "H1'" . DT A 1 9 ? 1.874 0.765 26.136 1.00 0.00 ? 9 DT A "H1'" 9 +ATOM 4813 H H3 . DT A 1 9 ? 2.030 5.837 27.719 1.00 0.00 ? 9 DT A H3 9 +ATOM 4814 H H71 . DT A 1 9 ? 1.954 5.446 22.861 1.00 0.00 ? 9 DT A H71 9 +ATOM 4815 H H72 . DT A 1 9 ? 3.686 5.589 23.200 1.00 0.00 ? 9 DT A H72 9 +ATOM 4816 H H73 . DT A 1 9 ? 3.016 4.053 22.631 1.00 0.00 ? 9 DT A H73 9 +ATOM 4817 H H6 . DT A 1 9 ? 2.953 2.541 24.357 1.00 0.00 ? 9 DT A H6 9 +ATOM 4818 P P . DT A 1 10 B 3.611 -2.447 29.322 1.00 0.00 ? 1 DT A P 9 +ATOM 4819 O OP1 . DT A 1 10 B 2.214 -2.572 29.795 1.00 0.00 ? 1 DT A OP1 9 +ATOM 4820 O OP2 . DT A 1 10 B 4.710 -2.206 30.279 1.00 0.00 ? 1 DT A OP2 9 +ATOM 4821 O "O5'" . DT A 1 10 B 3.920 -3.774 28.480 1.00 0.00 ? 1 DT A "O5'" 9 +ATOM 4822 C "C5'" . DT A 1 10 B 5.166 -4.045 27.866 1.00 0.00 ? 1 DT A "C5'" 9 +ATOM 4823 C "C4'" . DT A 1 10 B 5.008 -5.315 27.004 1.00 0.00 ? 1 DT A "C4'" 9 +ATOM 4824 O "O4'" . DT A 1 10 B 3.991 -5.069 26.035 1.00 0.00 ? 1 DT A "O4'" 9 +ATOM 4825 C "C3'" . DT A 1 10 B 6.298 -5.664 26.228 1.00 0.00 ? 1 DT A "C3'" 9 +ATOM 4826 O "O3'" . DT A 1 10 B 6.475 -7.028 25.898 1.00 0.00 ? 1 DT A "O3'" 9 +ATOM 4827 C "C2'" . DT A 1 10 B 6.027 -4.960 24.905 1.00 0.00 ? 1 DT A "C2'" 9 +ATOM 4828 C "C1'" . DT A 1 10 B 4.523 -5.213 24.742 1.00 0.00 ? 1 DT A "C1'" 9 +ATOM 4829 N N1 . DT A 1 10 B 3.854 -4.214 23.868 1.00 0.00 ? 1 DT A N1 9 +ATOM 4830 C C2 . DT A 1 10 B 3.066 -4.677 22.816 1.00 0.00 ? 1 DT A C2 9 +ATOM 4831 O O2 . DT A 1 10 B 2.884 -5.859 22.562 1.00 0.00 ? 1 DT A O2 9 +ATOM 4832 N N3 . DT A 1 10 B 2.467 -3.729 22.026 1.00 0.00 ? 1 DT A N3 9 +ATOM 4833 C C4 . DT A 1 10 B 2.554 -2.366 22.198 1.00 0.00 ? 1 DT A C4 9 +ATOM 4834 O O4 . DT A 1 10 B 1.927 -1.633 21.445 1.00 0.00 ? 1 DT A O4 9 +ATOM 4835 C C5 . DT A 1 10 B 3.425 -1.934 23.293 1.00 0.00 ? 1 DT A C5 9 +ATOM 4836 C C7 . DT A 1 10 B 3.712 -0.455 23.552 1.00 0.00 ? 1 DT A C7 9 +ATOM 4837 C C6 . DT A 1 10 B 4.016 -2.862 24.089 1.00 0.00 ? 1 DT A C6 9 +ATOM 4838 H "H5'" . DT A 1 10 B 5.928 -4.213 28.629 1.00 0.00 ? 1 DT A "H5'" 9 +ATOM 4839 H "H5''" . DT A 1 10 B 5.469 -3.208 27.235 1.00 0.00 ? 1 DT A "H5''" 9 +ATOM 4840 H "H4'" . DT A 1 10 B 4.708 -6.129 27.663 1.00 0.00 ? 1 DT A "H4'" 9 +ATOM 4841 H "H3'" . DT A 1 10 B 7.196 -5.271 26.712 1.00 0.00 ? 1 DT A "H3'" 9 +ATOM 4842 H "H2'" . DT A 1 10 B 6.291 -3.913 25.022 1.00 0.00 ? 1 DT A "H2'" 9 +ATOM 4843 H "H2''" . DT A 1 10 B 6.592 -5.372 24.072 1.00 0.00 ? 1 DT A "H2''" 9 +ATOM 4844 H "H1'" . DT A 1 10 B 4.372 -6.248 24.427 1.00 0.00 ? 1 DT A "H1'" 9 +ATOM 4845 H H3 . DT A 1 10 B 1.921 -4.077 21.246 1.00 0.00 ? 1 DT A H3 9 +ATOM 4846 H H71 . DT A 1 10 B 3.516 0.143 22.660 1.00 0.00 ? 1 DT A H71 9 +ATOM 4847 H H72 . DT A 1 10 B 3.067 -0.109 24.357 1.00 0.00 ? 1 DT A H72 9 +ATOM 4848 H H73 . DT A 1 10 B 4.754 -0.302 23.841 1.00 0.00 ? 1 DT A H73 9 +ATOM 4849 H H6 . DT A 1 10 B 4.622 -2.536 24.920 1.00 0.00 ? 1 DT A H6 9 +ATOM 4850 P P . DT A 1 11 B 6.719 -8.159 27.010 1.00 0.00 ? 2 DT A P 9 +ATOM 4851 O OP1 . DT A 1 11 B 7.302 -7.510 28.204 1.00 0.00 ? 2 DT A OP1 9 +ATOM 4852 O OP2 . DT A 1 11 B 7.418 -9.293 26.368 1.00 0.00 ? 2 DT A OP2 9 +ATOM 4853 O "O5'" . DT A 1 11 B 5.214 -8.615 27.341 1.00 0.00 ? 2 DT A "O5'" 9 +ATOM 4854 C "C5'" . DT A 1 11 B 4.372 -9.148 26.328 1.00 0.00 ? 2 DT A "C5'" 9 +ATOM 4855 C "C4'" . DT A 1 11 B 2.890 -8.959 26.697 1.00 0.00 ? 2 DT A "C4'" 9 +ATOM 4856 O "O4'" . DT A 1 11 B 2.601 -7.587 26.916 1.00 0.00 ? 2 DT A "O4'" 9 +ATOM 4857 C "C3'" . DT A 1 11 B 1.954 -9.355 25.543 1.00 0.00 ? 2 DT A "C3'" 9 +ATOM 4858 O "O3'" . DT A 1 11 B 1.389 -10.632 25.751 1.00 0.00 ? 2 DT A "O3'" 9 +ATOM 4859 C "C2'" . DT A 1 11 B 0.856 -8.287 25.595 1.00 0.00 ? 2 DT A "C2'" 9 +ATOM 4860 C "C1'" . DT A 1 11 B 1.209 -7.434 26.816 1.00 0.00 ? 2 DT A "C1'" 9 +ATOM 4861 N N1 . DT A 1 11 B 0.835 -5.993 26.791 1.00 0.00 ? 2 DT A N1 9 +ATOM 4862 C C2 . DT A 1 11 B 1.146 -5.270 27.945 1.00 0.00 ? 2 DT A C2 9 +ATOM 4863 O O2 . DT A 1 11 B 1.607 -5.781 28.958 1.00 0.00 ? 2 DT A O2 9 +ATOM 4864 N N3 . DT A 1 11 B 0.819 -3.939 27.953 1.00 0.00 ? 2 DT A N3 9 +ATOM 4865 C C4 . DT A 1 11 B 0.175 -3.262 26.946 1.00 0.00 ? 2 DT A C4 9 +ATOM 4866 O O4 . DT A 1 11 B -0.077 -2.075 27.103 1.00 0.00 ? 2 DT A O4 9 +ATOM 4867 C C5 . DT A 1 11 B -0.184 -4.079 25.782 1.00 0.00 ? 2 DT A C5 9 +ATOM 4868 C C7 . DT A 1 11 B -0.949 -3.491 24.593 1.00 0.00 ? 2 DT A C7 9 +ATOM 4869 C C6 . DT A 1 11 B 0.157 -5.395 25.742 1.00 0.00 ? 2 DT A C6 9 +ATOM 4870 H "H5'" . DT A 1 11 B 4.587 -10.209 26.193 1.00 0.00 ? 2 DT A "H5'" 9 +ATOM 4871 H "H5''" . DT A 1 11 B 4.541 -8.637 25.378 1.00 0.00 ? 2 DT A "H5''" 9 +ATOM 4872 H "H4'" . DT A 1 11 B 2.656 -9.527 27.600 1.00 0.00 ? 2 DT A "H4'" 9 +ATOM 4873 H "H3'" . DT A 1 11 B 2.496 -9.295 24.594 1.00 0.00 ? 2 DT A "H3'" 9 +ATOM 4874 H "H2'" . DT A 1 11 B 0.955 -7.730 24.667 1.00 0.00 ? 2 DT A "H2'" 9 +ATOM 4875 H "H2''" . DT A 1 11 B -0.153 -8.693 25.681 1.00 0.00 ? 2 DT A "H2''" 9 +ATOM 4876 H "H1'" . DT A 1 11 B 0.744 -7.905 27.687 1.00 0.00 ? 2 DT A "H1'" 9 +ATOM 4877 H H3 . DT A 1 11 B 1.191 -3.397 28.741 1.00 0.00 ? 2 DT A H3 9 +ATOM 4878 H H71 . DT A 1 11 B -1.397 -2.529 24.855 1.00 0.00 ? 2 DT A H71 9 +ATOM 4879 H H72 . DT A 1 11 B -0.264 -3.328 23.759 1.00 0.00 ? 2 DT A H72 9 +ATOM 4880 H H73 . DT A 1 11 B -1.750 -4.159 24.269 1.00 0.00 ? 2 DT A H73 9 +ATOM 4881 H H6 . DT A 1 11 B -0.145 -5.957 24.871 1.00 0.00 ? 2 DT A H6 9 +ATOM 4882 P P . DG A 1 12 B 0.787 -11.470 24.519 1.00 0.00 ? 3 DG A P 9 +ATOM 4883 O OP1 . DG A 1 12 B 0.042 -12.625 25.062 1.00 0.00 ? 3 DG A OP1 9 +ATOM 4884 O OP2 . DG A 1 12 B 1.885 -11.691 23.554 1.00 0.00 ? 3 DG A OP2 9 +ATOM 4885 O "O5'" . DG A 1 12 B -0.273 -10.459 23.847 1.00 0.00 ? 3 DG A "O5'" 9 +ATOM 4886 C "C5'" . DG A 1 12 B -0.550 -10.500 22.458 1.00 0.00 ? 3 DG A "C5'" 9 +ATOM 4887 C "C4'" . DG A 1 12 B -1.628 -9.470 22.072 1.00 0.00 ? 3 DG A "C4'" 9 +ATOM 4888 O "O4'" . DG A 1 12 B -1.124 -8.129 22.131 1.00 0.00 ? 3 DG A "O4'" 9 +ATOM 4889 C "C3'" . DG A 1 12 B -2.114 -9.696 20.621 1.00 0.00 ? 3 DG A "C3'" 9 +ATOM 4890 O "O3'" . DG A 1 12 B -3.520 -9.534 20.561 1.00 0.00 ? 3 DG A "O3'" 9 +ATOM 4891 C "C2'" . DG A 1 12 B -1.403 -8.556 19.905 1.00 0.00 ? 3 DG A "C2'" 9 +ATOM 4892 C "C1'" . DG A 1 12 B -1.557 -7.472 20.955 1.00 0.00 ? 3 DG A "C1'" 9 +ATOM 4893 N N9 . DG A 1 12 B -0.754 -6.284 20.614 1.00 0.00 ? 3 DG A N9 9 +ATOM 4894 C C8 . DG A 1 12 B 0.580 -6.203 20.323 1.00 0.00 ? 3 DG A C8 9 +ATOM 4895 N N7 . DG A 1 12 B 0.981 -5.011 19.964 1.00 0.00 ? 3 DG A N7 9 +ATOM 4896 C C5 . DG A 1 12 B -0.197 -4.253 19.977 1.00 0.00 ? 3 DG A C5 9 +ATOM 4897 C C6 . DG A 1 12 B -0.486 -2.902 19.580 1.00 0.00 ? 3 DG A C6 9 +ATOM 4898 O O6 . DG A 1 12 B 0.263 -2.070 19.089 1.00 0.00 ? 3 DG A O6 9 +ATOM 4899 N N1 . DG A 1 12 B -1.801 -2.522 19.769 1.00 0.00 ? 3 DG A N1 9 +ATOM 4900 C C2 . DG A 1 12 B -2.767 -3.382 20.165 1.00 0.00 ? 3 DG A C2 9 +ATOM 4901 N N2 . DG A 1 12 B -3.998 -2.983 20.025 1.00 0.00 ? 3 DG A N2 9 +ATOM 4902 N N3 . DG A 1 12 B -2.562 -4.662 20.453 1.00 0.00 ? 3 DG A N3 9 +ATOM 4903 C C4 . DG A 1 12 B -1.257 -5.033 20.371 1.00 0.00 ? 3 DG A C4 9 +ATOM 4904 H "H5'" . DG A 1 12 B -0.916 -11.499 22.210 1.00 0.00 ? 3 DG A "H5'" 9 +ATOM 4905 H "H5''" . DG A 1 12 B 0.355 -10.303 21.879 1.00 0.00 ? 3 DG A "H5''" 9 +ATOM 4906 H "H4'" . DG A 1 12 B -2.467 -9.577 22.762 1.00 0.00 ? 3 DG A "H4'" 9 +ATOM 4907 H "H3'" . DG A 1 12 B -1.818 -10.673 20.229 1.00 0.00 ? 3 DG A "H3'" 9 +ATOM 4908 H "H2'" . DG A 1 12 B -0.356 -8.815 19.772 1.00 0.00 ? 3 DG A "H2'" 9 +ATOM 4909 H "H2''" . DG A 1 12 B -1.831 -8.275 18.948 1.00 0.00 ? 3 DG A "H2''" 9 +ATOM 4910 H "H1'" . DG A 1 12 B -2.608 -7.206 21.052 1.00 0.00 ? 3 DG A "H1'" 9 +ATOM 4911 H H8 . DG A 1 12 B 1.230 -7.063 20.358 1.00 0.00 ? 3 DG A H8 9 +ATOM 4912 H H1 . DG A 1 12 B -2.044 -1.573 19.516 1.00 0.00 ? 3 DG A H1 9 +ATOM 4913 H H21 . DG A 1 12 B -4.205 -2.050 19.700 1.00 0.00 ? 3 DG A H21 9 +ATOM 4914 H H22 . DG A 1 12 B -4.659 -3.744 19.995 1.00 0.00 ? 3 DG A H22 9 +ATOM 4915 P P . DG A 1 13 B -4.341 -9.714 19.191 1.00 0.00 ? 4 DG A P 9 +ATOM 4916 O OP1 . DG A 1 13 B -5.587 -10.441 19.513 1.00 0.00 ? 4 DG A OP1 9 +ATOM 4917 O OP2 . DG A 1 13 B -3.418 -10.254 18.171 1.00 0.00 ? 4 DG A OP2 9 +ATOM 4918 O "O5'" . DG A 1 13 B -4.727 -8.199 18.779 1.00 0.00 ? 4 DG A "O5'" 9 +ATOM 4919 C "C5'" . DG A 1 13 B -5.667 -7.445 19.534 1.00 0.00 ? 4 DG A "C5'" 9 +ATOM 4920 C "C4'" . DG A 1 13 B -6.174 -6.196 18.784 1.00 0.00 ? 4 DG A "C4'" 9 +ATOM 4921 O "O4'" . DG A 1 13 B -5.181 -5.175 18.694 1.00 0.00 ? 4 DG A "O4'" 9 +ATOM 4922 C "C3'" . DG A 1 13 B -6.647 -6.510 17.351 1.00 0.00 ? 4 DG A "C3'" 9 +ATOM 4923 O "O3'" . DG A 1 13 B -7.880 -5.860 17.104 1.00 0.00 ? 4 DG A "O3'" 9 +ATOM 4924 C "C2'" . DG A 1 13 B -5.513 -5.893 16.540 1.00 0.00 ? 4 DG A "C2'" 9 +ATOM 4925 C "C1'" . DG A 1 13 B -5.196 -4.657 17.374 1.00 0.00 ? 4 DG A "C1'" 9 +ATOM 4926 N N9 . DG A 1 13 B -3.868 -4.103 17.041 1.00 0.00 ? 4 DG A N9 9 +ATOM 4927 C C8 . DG A 1 13 B -2.682 -4.777 16.948 1.00 0.00 ? 4 DG A C8 9 +ATOM 4928 N N7 . DG A 1 13 B -1.649 -4.022 16.698 1.00 0.00 ? 4 DG A N7 9 +ATOM 4929 C C5 . DG A 1 13 B -2.201 -2.740 16.586 1.00 0.00 ? 4 DG A C5 9 +ATOM 4930 C C6 . DG A 1 13 B -1.612 -1.458 16.308 1.00 0.00 ? 4 DG A C6 9 +ATOM 4931 O O6 . DG A 1 13 B -0.439 -1.178 16.100 1.00 0.00 ? 4 DG A O6 9 +ATOM 4932 N N1 . DG A 1 13 B -2.515 -0.413 16.257 1.00 0.00 ? 4 DG A N1 9 +ATOM 4933 C C2 . DG A 1 13 B -3.841 -0.580 16.461 1.00 0.00 ? 4 DG A C2 9 +ATOM 4934 N N2 . DG A 1 13 B -4.574 0.496 16.397 1.00 0.00 ? 4 DG A N2 9 +ATOM 4935 N N3 . DG A 1 13 B -4.435 -1.746 16.702 1.00 0.00 ? 4 DG A N3 9 +ATOM 4936 C C4 . DG A 1 13 B -3.565 -2.793 16.759 1.00 0.00 ? 4 DG A C4 9 +ATOM 4937 H "H5'" . DG A 1 13 B -5.223 -7.144 20.485 1.00 0.00 ? 4 DG A "H5'" 9 +ATOM 4938 H "H5''" . DG A 1 13 B -6.547 -8.057 19.745 1.00 0.00 ? 4 DG A "H5''" 9 +ATOM 4939 H "H4'" . DG A 1 13 B -7.008 -5.793 19.362 1.00 0.00 ? 4 DG A "H4'" 9 +ATOM 4940 H "H3'" . DG A 1 13 B -6.730 -7.588 17.190 1.00 0.00 ? 4 DG A "H3'" 9 +ATOM 4941 H "H2'" . DG A 1 13 B -4.685 -6.601 16.546 1.00 0.00 ? 4 DG A "H2'" 9 +ATOM 4942 H "H2''" . DG A 1 13 B -5.759 -5.645 15.513 1.00 0.00 ? 4 DG A "H2''" 9 +ATOM 4943 H "H1'" . DG A 1 13 B -5.989 -3.914 17.264 1.00 0.00 ? 4 DG A "H1'" 9 +ATOM 4944 H H8 . DG A 1 13 B -2.624 -5.847 17.069 1.00 0.00 ? 4 DG A H8 9 +ATOM 4945 H H1 . DG A 1 13 B -2.136 0.524 16.172 1.00 0.00 ? 4 DG A H1 9 +ATOM 4946 H H21 . DG A 1 13 B -4.148 1.406 16.289 1.00 0.00 ? 4 DG A H21 9 +ATOM 4947 H H22 . DG A 1 13 B -5.550 0.356 16.578 1.00 0.00 ? 4 DG A H22 9 +ATOM 4948 P P . DA A 1 14 B -8.725 -6.133 15.765 1.00 0.00 ? 5 DA A P 9 +ATOM 4949 O OP1 . DA A 1 14 B -10.157 -5.969 16.094 1.00 0.00 ? 5 DA A OP1 9 +ATOM 4950 O OP2 . DA A 1 14 B -8.248 -7.393 15.158 1.00 0.00 ? 5 DA A OP2 9 +ATOM 4951 O "O5'" . DA A 1 14 B -8.283 -4.915 14.813 1.00 0.00 ? 5 DA A "O5'" 9 +ATOM 4952 C "C5'" . DA A 1 14 B -8.892 -3.639 14.923 1.00 0.00 ? 5 DA A "C5'" 9 +ATOM 4953 C "C4'" . DA A 1 14 B -8.263 -2.628 13.953 1.00 0.00 ? 5 DA A "C4'" 9 +ATOM 4954 O "O4'" . DA A 1 14 B -6.906 -2.367 14.276 1.00 0.00 ? 5 DA A "O4'" 9 +ATOM 4955 C "C3'" . DA A 1 14 B -8.271 -3.084 12.481 1.00 0.00 ? 5 DA A "C3'" 9 +ATOM 4956 O "O3'" . DA A 1 14 B -9.374 -2.497 11.815 1.00 0.00 ? 5 DA A "O3'" 9 +ATOM 4957 C "C2'" . DA A 1 14 B -6.933 -2.544 11.961 1.00 0.00 ? 5 DA A "C2'" 9 +ATOM 4958 C "C1'" . DA A 1 14 B -6.348 -1.765 13.135 1.00 0.00 ? 5 DA A "C1'" 9 +ATOM 4959 N N9 . DA A 1 14 B -4.878 -1.854 13.171 1.00 0.00 ? 5 DA A N9 9 +ATOM 4960 C C8 . DA A 1 14 B -4.087 -2.946 13.419 1.00 0.00 ? 5 DA A C8 9 +ATOM 4961 N N7 . DA A 1 14 B -2.807 -2.683 13.433 1.00 0.00 ? 5 DA A N7 9 +ATOM 4962 C C5 . DA A 1 14 B -2.756 -1.313 13.147 1.00 0.00 ? 5 DA A C5 9 +ATOM 4963 C C6 . DA A 1 14 B -1.732 -0.346 12.999 1.00 0.00 ? 5 DA A C6 9 +ATOM 4964 N N6 . DA A 1 14 B -0.446 -0.567 13.181 1.00 0.00 ? 5 DA A N6 9 +ATOM 4965 N N1 . DA A 1 14 B -2.021 0.915 12.661 1.00 0.00 ? 5 DA A N1 9 +ATOM 4966 C C2 . DA A 1 14 B -3.295 1.247 12.495 1.00 0.00 ? 5 DA A C2 9 +ATOM 4967 N N3 . DA A 1 14 B -4.355 0.458 12.619 1.00 0.00 ? 5 DA A N3 9 +ATOM 4968 C C4 . DA A 1 14 B -4.016 -0.815 12.955 1.00 0.00 ? 5 DA A C4 9 +ATOM 4969 H "H5'" . DA A 1 14 B -8.786 -3.258 15.941 1.00 0.00 ? 5 DA A "H5'" 9 +ATOM 4970 H "H5''" . DA A 1 14 B -9.955 -3.719 14.687 1.00 0.00 ? 5 DA A "H5''" 9 +ATOM 4971 H "H4'" . DA A 1 14 B -8.809 -1.685 14.044 1.00 0.00 ? 5 DA A "H4'" 9 +ATOM 4972 H "H3'" . DA A 1 14 B -8.296 -4.174 12.410 1.00 0.00 ? 5 DA A "H3'" 9 +ATOM 4973 H "H2'" . DA A 1 14 B -6.309 -3.398 11.698 1.00 0.00 ? 5 DA A "H2'" 9 +ATOM 4974 H "H2''" . DA A 1 14 B -7.017 -1.890 11.104 1.00 0.00 ? 5 DA A "H2''" 9 +ATOM 4975 H "H1'" . DA A 1 14 B -6.696 -0.725 13.087 1.00 0.00 ? 5 DA A "H1'" 9 +ATOM 4976 H H8 . DA A 1 14 B -4.489 -3.937 13.582 1.00 0.00 ? 5 DA A H8 9 +ATOM 4977 H H61 . DA A 1 14 B 0.183 0.214 13.053 1.00 0.00 ? 5 DA A H61 9 +ATOM 4978 H H62 . DA A 1 14 B -0.147 -1.452 13.556 1.00 0.00 ? 5 DA A H62 9 +ATOM 4979 H H2 . DA A 1 14 B -3.504 2.264 12.211 1.00 0.00 ? 5 DA A H2 9 +ATOM 4980 P P . DT A 1 15 B -9.711 -2.808 10.271 1.00 0.00 ? 6 DT A P 9 +ATOM 4981 O OP1 . DT A 1 15 B -11.151 -2.545 10.060 1.00 0.00 ? 6 DT A OP1 9 +ATOM 4982 O OP2 . DT A 1 15 B -9.140 -4.127 9.926 1.00 0.00 ? 6 DT A OP2 9 +ATOM 4983 O "O5'" . DT A 1 15 B -8.879 -1.680 9.479 1.00 0.00 ? 6 DT A "O5'" 9 +ATOM 4984 C "C5'" . DT A 1 15 B -9.248 -0.309 9.534 1.00 0.00 ? 6 DT A "C5'" 9 +ATOM 4985 C "C4'" . DT A 1 15 B -8.145 0.584 8.940 1.00 0.00 ? 6 DT A "C4'" 9 +ATOM 4986 O "O4'" . DT A 1 15 B -6.918 0.384 9.627 1.00 0.00 ? 6 DT A "O4'" 9 +ATOM 4987 C "C3'" . DT A 1 15 B -7.860 0.320 7.449 1.00 0.00 ? 6 DT A "C3'" 9 +ATOM 4988 O "O3'" . DT A 1 15 B -8.481 1.308 6.645 1.00 0.00 ? 6 DT A "O3'" 9 +ATOM 4989 C "C2'" . DT A 1 15 B -6.334 0.446 7.371 1.00 0.00 ? 6 DT A "C2'" 9 +ATOM 4990 C "C1'" . DT A 1 15 B -5.903 0.841 8.770 1.00 0.00 ? 6 DT A "C1'" 9 +ATOM 4991 N N1 . DT A 1 15 B -4.583 0.262 9.110 1.00 0.00 ? 6 DT A N1 9 +ATOM 4992 C C2 . DT A 1 15 B -3.489 1.120 9.090 1.00 0.00 ? 6 DT A C2 9 +ATOM 4993 O O2 . DT A 1 15 B -3.552 2.306 8.802 1.00 0.00 ? 6 DT A O2 9 +ATOM 4994 N N3 . DT A 1 15 B -2.276 0.573 9.392 1.00 0.00 ? 6 DT A N3 9 +ATOM 4995 C C4 . DT A 1 15 B -2.030 -0.746 9.662 1.00 0.00 ? 6 DT A C4 9 +ATOM 4996 O O4 . DT A 1 15 B -0.874 -1.078 9.884 1.00 0.00 ? 6 DT A O4 9 +ATOM 4997 C C5 . DT A 1 15 B -3.210 -1.615 9.648 1.00 0.00 ? 6 DT A C5 9 +ATOM 4998 C C7 . DT A 1 15 B -3.092 -3.114 9.925 1.00 0.00 ? 6 DT A C7 9 +ATOM 4999 C C6 . DT A 1 15 B -4.433 -1.086 9.369 1.00 0.00 ? 6 DT A C6 9 +ATOM 5000 H "H5'" . DT A 1 15 B -9.402 -0.003 10.572 1.00 0.00 ? 6 DT A "H5'" 9 +ATOM 5001 H "H5''" . DT A 1 15 B -10.176 -0.152 8.981 1.00 0.00 ? 6 DT A "H5''" 9 +ATOM 5002 H "H4'" . DT A 1 15 B -8.437 1.629 9.070 1.00 0.00 ? 6 DT A "H4'" 9 +ATOM 5003 H "H3'" . DT A 1 15 B -8.178 -0.692 7.181 1.00 0.00 ? 6 DT A "H3'" 9 +ATOM 5004 H "H2'" . DT A 1 15 B -5.926 -0.520 7.073 1.00 0.00 ? 6 DT A "H2'" 9 +ATOM 5005 H "H2''" . DT A 1 15 B -5.962 1.228 6.713 1.00 0.00 ? 6 DT A "H2''" 9 +ATOM 5006 H "H1'" . DT A 1 15 B -5.915 1.932 8.797 1.00 0.00 ? 6 DT A "H1'" 9 +ATOM 5007 H H3 . DT A 1 15 B -1.490 1.209 9.376 1.00 0.00 ? 6 DT A H3 9 +ATOM 5008 H H71 . DT A 1 15 B -2.278 -3.308 10.628 1.00 0.00 ? 6 DT A H71 9 +ATOM 5009 H H72 . DT A 1 15 B -4.011 -3.514 10.359 1.00 0.00 ? 6 DT A H72 9 +ATOM 5010 H H73 . DT A 1 15 B -2.883 -3.645 8.995 1.00 0.00 ? 6 DT A H73 9 +ATOM 5011 H H6 . DT A 1 15 B -5.301 -1.732 9.330 1.00 0.00 ? 6 DT A H6 9 +ATOM 5012 P P . DC A 1 16 B -8.756 1.059 5.077 1.00 0.00 ? 7 DC A P 9 +ATOM 5013 O OP1 . DC A 1 16 B -10.037 0.330 4.976 1.00 0.00 ? 7 DC A OP1 9 +ATOM 5014 O OP2 . DC A 1 16 B -7.547 0.462 4.474 1.00 0.00 ? 7 DC A OP2 9 +ATOM 5015 O "O5'" . DC A 1 16 B -8.988 2.520 4.414 1.00 0.00 ? 7 DC A "O5'" 9 +ATOM 5016 C "C5'" . DC A 1 16 B -8.402 3.719 4.906 1.00 0.00 ? 7 DC A "C5'" 9 +ATOM 5017 C "C4'" . DC A 1 16 B -6.890 3.905 4.676 1.00 0.00 ? 7 DC A "C4'" 9 +ATOM 5018 O "O4'" . DC A 1 16 B -6.128 2.963 5.403 1.00 0.00 ? 7 DC A "O4'" 9 +ATOM 5019 C "C3'" . DC A 1 16 B -6.404 3.776 3.227 1.00 0.00 ? 7 DC A "C3'" 9 +ATOM 5020 O "O3'" . DC A 1 16 B -6.318 5.054 2.626 1.00 0.00 ? 7 DC A "O3'" 9 +ATOM 5021 C "C2'" . DC A 1 16 B -5.016 3.150 3.421 1.00 0.00 ? 7 DC A "C2'" 9 +ATOM 5022 C "C1'" . DC A 1 16 B -4.809 3.026 4.932 1.00 0.00 ? 7 DC A "C1'" 9 +ATOM 5023 N N1 . DC A 1 16 B -3.918 1.892 5.256 1.00 0.00 ? 7 DC A N1 9 +ATOM 5024 C C2 . DC A 1 16 B -2.645 2.109 5.788 1.00 0.00 ? 7 DC A C2 9 +ATOM 5025 O O2 . DC A 1 16 B -2.164 3.232 5.867 1.00 0.00 ? 7 DC A O2 9 +ATOM 5026 N N3 . DC A 1 16 B -1.893 1.050 6.197 1.00 0.00 ? 7 DC A N3 9 +ATOM 5027 C C4 . DC A 1 16 B -2.383 -0.169 6.040 1.00 0.00 ? 7 DC A C4 9 +ATOM 5028 N N4 . DC A 1 16 B -1.668 -1.151 6.509 1.00 0.00 ? 7 DC A N4 9 +ATOM 5029 C C5 . DC A 1 16 B -3.597 -0.440 5.352 1.00 0.00 ? 7 DC A C5 9 +ATOM 5030 C C6 . DC A 1 16 B -4.324 0.630 4.969 1.00 0.00 ? 7 DC A C6 9 +ATOM 5031 H "H5'" . DC A 1 16 B -8.624 3.837 5.969 1.00 0.00 ? 7 DC A "H5'" 9 +ATOM 5032 H "H5''" . DC A 1 16 B -8.901 4.535 4.382 1.00 0.00 ? 7 DC A "H5''" 9 +ATOM 5033 H "H4'" . DC A 1 16 B -6.624 4.896 5.051 1.00 0.00 ? 7 DC A "H4'" 9 +ATOM 5034 H "H3'" . DC A 1 16 B -7.060 3.104 2.667 1.00 0.00 ? 7 DC A "H3'" 9 +ATOM 5035 H "H2'" . DC A 1 16 B -5.032 2.192 2.904 1.00 0.00 ? 7 DC A "H2'" 9 +ATOM 5036 H "H2''" . DC A 1 16 B -4.198 3.693 3.004 1.00 0.00 ? 7 DC A "H2''" 9 +ATOM 5037 H "H1'" . DC A 1 16 B -4.468 3.891 5.473 1.00 0.00 ? 7 DC A "H1'" 9 +ATOM 5038 H H41 . DC A 1 16 B -0.777 -0.872 6.892 1.00 0.00 ? 7 DC A H41 9 +ATOM 5039 H H42 . DC A 1 16 B -1.956 -2.103 6.398 1.00 0.00 ? 7 DC A H42 9 +ATOM 5040 H H5 . DC A 1 16 B -3.985 -1.419 5.150 1.00 0.00 ? 7 DC A H5 9 +ATOM 5041 H H6 . DC A 1 16 B -5.259 0.544 4.455 1.00 0.00 ? 7 DC A H6 9 +ATOM 5042 P P . DC A 1 17 B -5.812 5.251 1.112 1.00 0.00 ? 8 DC A P 9 +ATOM 5043 O OP1 . DC A 1 17 B -6.371 6.522 0.605 1.00 0.00 ? 8 DC A OP1 9 +ATOM 5044 O OP2 . DC A 1 17 B -6.042 3.994 0.369 1.00 0.00 ? 8 DC A OP2 9 +ATOM 5045 O "O5'" . DC A 1 17 B -4.221 5.439 1.277 1.00 0.00 ? 8 DC A "O5'" 9 +ATOM 5046 C "C5'" . DC A 1 17 B -3.676 6.552 1.969 1.00 0.00 ? 8 DC A "C5'" 9 +ATOM 5047 C "C4'" . DC A 1 17 B -2.138 6.496 2.002 1.00 0.00 ? 8 DC A "C4'" 9 +ATOM 5048 O "O4'" . DC A 1 17 B -1.688 5.385 2.779 1.00 0.00 ? 8 DC A "O4'" 9 +ATOM 5049 C "C3'" . DC A 1 17 B -1.526 6.367 0.591 1.00 0.00 ? 8 DC A "C3'" 9 +ATOM 5050 O "O3'" . DC A 1 17 B -0.361 7.164 0.505 1.00 0.00 ? 8 DC A "O3'" 9 +ATOM 5051 C "C2'" . DC A 1 17 B -1.155 4.889 0.597 1.00 0.00 ? 8 DC A "C2'" 9 +ATOM 5052 C "C1'" . DC A 1 17 B -0.687 4.717 2.041 1.00 0.00 ? 8 DC A "C1'" 9 +ATOM 5053 N N1 . DC A 1 17 B -0.658 3.276 2.432 1.00 0.00 ? 8 DC A N1 9 +ATOM 5054 C C2 . DC A 1 17 B 0.525 2.769 2.970 1.00 0.00 ? 8 DC A C2 9 +ATOM 5055 O O2 . DC A 1 17 B 1.525 3.465 3.074 1.00 0.00 ? 8 DC A O2 9 +ATOM 5056 N N3 . DC A 1 17 B 0.606 1.474 3.380 1.00 0.00 ? 8 DC A N3 9 +ATOM 5057 C C4 . DC A 1 17 B -0.469 0.715 3.279 1.00 0.00 ? 8 DC A C4 9 +ATOM 5058 N N4 . DC A 1 17 B -0.358 -0.516 3.688 1.00 0.00 ? 8 DC A N4 9 +ATOM 5059 C C5 . DC A 1 17 B -1.699 1.164 2.731 1.00 0.00 ? 8 DC A C5 9 +ATOM 5060 C C6 . DC A 1 17 B -1.757 2.447 2.309 1.00 0.00 ? 8 DC A C6 9 +ATOM 5061 H "H5'" . DC A 1 17 B -4.045 6.576 2.997 1.00 0.00 ? 8 DC A "H5'" 9 +ATOM 5062 H "H5''" . DC A 1 17 B -3.976 7.476 1.470 1.00 0.00 ? 8 DC A "H5''" 9 +ATOM 5063 H "H4'" . DC A 1 17 B -1.783 7.415 2.473 1.00 0.00 ? 8 DC A "H4'" 9 +ATOM 5064 H "H3'" . DC A 1 17 B -2.261 6.607 -0.181 1.00 0.00 ? 8 DC A "H3'" 9 +ATOM 5065 H "H2'" . DC A 1 17 B -2.065 4.351 0.355 1.00 0.00 ? 8 DC A "H2'" 9 +ATOM 5066 H "H2''" . DC A 1 17 B -0.391 4.571 -0.094 1.00 0.00 ? 8 DC A "H2''" 9 +ATOM 5067 H "H1'" . DC A 1 17 B 0.270 5.272 2.180 1.00 0.00 ? 8 DC A "H1'" 9 +ATOM 5068 H H41 . DC A 1 17 B 0.529 -0.778 4.085 1.00 0.00 ? 8 DC A H41 9 +ATOM 5069 H H42 . DC A 1 17 B -1.122 -1.154 3.582 1.00 0.00 ? 8 DC A H42 9 +ATOM 5070 H H5 . DC A 1 17 B -2.559 0.522 2.634 1.00 0.00 ? 8 DC A H5 9 +ATOM 5071 H H6 . DC A 1 17 B -2.695 2.759 1.860 1.00 0.00 ? 8 DC A H6 9 +ATOM 5072 P P . DT A 1 18 B 0.172 7.742 -0.895 1.00 0.00 ? 9 DT A P 9 +ATOM 5073 O OP1 . DT A 1 18 B 1.289 8.666 -0.608 1.00 0.00 ? 9 DT A OP1 9 +ATOM 5074 O OP2 . DT A 1 18 B -0.994 8.224 -1.667 1.00 0.00 ? 9 DT A OP2 9 +ATOM 5075 O "O5'" . DT A 1 18 B 0.782 6.460 -1.652 1.00 0.00 ? 9 DT A "O5'" 9 +ATOM 5076 C "C5'" . DT A 1 18 B 0.120 5.851 -2.748 1.00 0.00 ? 9 DT A "C5'" 9 +ATOM 5077 C "C4'" . DT A 1 18 B 1.042 4.787 -3.368 1.00 0.00 ? 9 DT A "C4'" 9 +ATOM 5078 O "O4'" . DT A 1 18 B 1.118 3.637 -2.526 1.00 0.00 ? 9 DT A "O4'" 9 +ATOM 5079 C "C3'" . DT A 1 18 B 0.528 4.291 -4.728 1.00 0.00 ? 9 DT A "C3'" 9 +ATOM 5080 O "O3'" . DT A 1 18 B 1.575 3.903 -5.593 1.00 0.00 ? 9 DT A "O3'" 9 +ATOM 5081 C "C2'" . DT A 1 18 B -0.294 3.074 -4.361 1.00 0.00 ? 9 DT A "C2'" 9 +ATOM 5082 C "C1'" . DT A 1 18 B 0.489 2.541 -3.165 1.00 0.00 ? 9 DT A "C1'" 9 +ATOM 5083 N N1 . DT A 1 18 B -0.265 1.754 -2.156 1.00 0.00 ? 9 DT A N1 9 +ATOM 5084 C C2 . DT A 1 18 B 0.466 0.785 -1.470 1.00 0.00 ? 9 DT A C2 9 +ATOM 5085 O O2 . DT A 1 18 B 1.656 0.565 -1.638 1.00 0.00 ? 9 DT A O2 9 +ATOM 5086 N N3 . DT A 1 18 B -0.223 0.005 -0.584 1.00 0.00 ? 9 DT A N3 9 +ATOM 5087 C C4 . DT A 1 18 B -1.557 0.105 -0.296 1.00 0.00 ? 9 DT A C4 9 +ATOM 5088 O O4 . DT A 1 18 B -2.050 -0.768 0.409 1.00 0.00 ? 9 DT A O4 9 +ATOM 5089 C C5 . DT A 1 18 B -2.226 1.274 -0.874 1.00 0.00 ? 9 DT A C5 9 +ATOM 5090 C C7 . DT A 1 18 B -3.680 1.609 -0.536 1.00 0.00 ? 9 DT A C7 9 +ATOM 5091 C C6 . DT A 1 18 B -1.560 2.059 -1.766 1.00 0.00 ? 9 DT A C6 9 +ATOM 5092 H "H5'" . DT A 1 18 B -0.079 6.610 -3.508 1.00 0.00 ? 9 DT A "H5'" 9 +ATOM 5093 H "H5''" . DT A 1 18 B -0.826 5.404 -2.437 1.00 0.00 ? 9 DT A "H5''" 9 +ATOM 5094 H "H4'" . DT A 1 18 B 2.027 5.248 -3.493 1.00 0.00 ? 9 DT A "H4'" 9 +ATOM 5095 H "H3'" . DT A 1 18 B -0.130 5.023 -5.198 1.00 0.00 ? 9 DT A "H3'" 9 +ATOM 5096 H "H2'" . DT A 1 18 B -1.283 3.422 -4.162 1.00 0.00 ? 9 DT A "H2'" 9 +ATOM 5097 H "H2''" . DT A 1 18 B -0.347 2.345 -5.167 1.00 0.00 ? 9 DT A "H2''" 9 +ATOM 5098 H "H1'" . DT A 1 18 B 1.238 1.907 -3.632 1.00 0.00 ? 9 DT A "H1'" 9 +ATOM 5099 H H3 . DT A 1 18 B 0.320 -0.680 -0.078 1.00 0.00 ? 9 DT A H3 9 +ATOM 5100 H H71 . DT A 1 18 B -3.816 2.680 -0.359 1.00 0.00 ? 9 DT A H71 9 +ATOM 5101 H H72 . DT A 1 18 B -4.331 1.320 -1.362 1.00 0.00 ? 9 DT A H72 9 +ATOM 5102 H H73 . DT A 1 18 B -4.015 1.081 0.359 1.00 0.00 ? 9 DT A H73 9 +ATOM 5103 H H6 . DT A 1 18 B -2.052 2.953 -2.123 1.00 0.00 ? 9 DT A H6 9 +ATOM 5104 O "O5'" . DA A 1 1 ? 9.377 -6.499 -0.735 1.00 0.00 ? 1 DA A "O5'" 10 +ATOM 5105 C "C5'" . DA A 1 1 ? 8.024 -6.086 -0.817 1.00 0.00 ? 1 DA A "C5'" 10 +ATOM 5106 C "C4'" . DA A 1 1 ? 7.680 -5.066 0.275 1.00 0.00 ? 1 DA A "C4'" 10 +ATOM 5107 O "O4'" . DA A 1 1 ? 6.302 -4.692 0.225 1.00 0.00 ? 1 DA A "O4'" 10 +ATOM 5108 C "C3'" . DA A 1 1 ? 7.940 -5.592 1.704 1.00 0.00 ? 1 DA A "C3'" 10 +ATOM 5109 O "O3'" . DA A 1 1 ? 8.703 -4.694 2.478 1.00 0.00 ? 1 DA A "O3'" 10 +ATOM 5110 C "C2'" . DA A 1 1 ? 6.530 -5.645 2.265 1.00 0.00 ? 1 DA A "C2'" 10 +ATOM 5111 C "C1'" . DA A 1 1 ? 5.911 -4.441 1.561 1.00 0.00 ? 1 DA A "C1'" 10 +ATOM 5112 N N9 . DA A 1 1 ? 4.444 -4.384 1.712 1.00 0.00 ? 1 DA A N9 10 +ATOM 5113 C C8 . DA A 1 1 ? 3.580 -5.350 2.166 1.00 0.00 ? 1 DA A C8 10 +ATOM 5114 N N7 . DA A 1 1 ? 2.324 -4.996 2.165 1.00 0.00 ? 1 DA A N7 10 +ATOM 5115 C C5 . DA A 1 1 ? 2.370 -3.680 1.691 1.00 0.00 ? 1 DA A C5 10 +ATOM 5116 C C6 . DA A 1 1 ? 1.408 -2.677 1.432 1.00 0.00 ? 1 DA A C6 10 +ATOM 5117 N N6 . DA A 1 1 ? 0.109 -2.832 1.601 1.00 0.00 ? 1 DA A N6 10 +ATOM 5118 N N1 . DA A 1 1 ? 1.762 -1.488 0.930 1.00 0.00 ? 1 DA A N1 10 +ATOM 5119 C C2 . DA A 1 1 ? 3.053 -1.260 0.717 1.00 0.00 ? 1 DA A C2 10 +ATOM 5120 N N3 . DA A 1 1 ? 4.066 -2.095 0.928 1.00 0.00 ? 1 DA A N3 10 +ATOM 5121 C C4 . DA A 1 1 ? 3.657 -3.300 1.416 1.00 0.00 ? 1 DA A C4 10 +ATOM 5122 H "H5'" . DA A 1 1 ? 7.383 -6.964 -0.721 1.00 0.00 ? 1 DA A "H5'" 10 +ATOM 5123 H "H5''" . DA A 1 1 ? 7.855 -5.634 -1.795 1.00 0.00 ? 1 DA A "H5''" 10 +ATOM 5124 H "H4'" . DA A 1 1 ? 8.275 -4.166 0.103 1.00 0.00 ? 1 DA A "H4'" 10 +ATOM 5125 H "H3'" . DA A 1 1 ? 8.354 -6.603 1.726 1.00 0.00 ? 1 DA A "H3'" 10 +ATOM 5126 H "H2'" . DA A 1 1 ? 6.065 -6.577 1.942 1.00 0.00 ? 1 DA A "H2'" 10 +ATOM 5127 H "H2''" . DA A 1 1 ? 6.505 -5.564 3.352 1.00 0.00 ? 1 DA A "H2''" 10 +ATOM 5128 H "H1'" . DA A 1 1 ? 6.363 -3.507 1.893 1.00 0.00 ? 1 DA A "H1'" 10 +ATOM 5129 H H8 . DA A 1 1 ? 3.899 -6.330 2.490 1.00 0.00 ? 1 DA A H8 10 +ATOM 5130 H H61 . DA A 1 1 ? -0.484 -2.044 1.380 1.00 0.00 ? 1 DA A H61 10 +ATOM 5131 H H62 . DA A 1 1 ? -0.237 -3.698 1.973 1.00 0.00 ? 1 DA A H62 10 +ATOM 5132 H H2 . DA A 1 1 ? 3.309 -0.287 0.327 1.00 0.00 ? 1 DA A H2 10 +ATOM 5133 H "HO5'" . DA A 1 1 ? 9.886 -5.855 -0.208 1.00 0.00 ? 1 DA A "HO5'" 10 +ATOM 5134 P P . DG A 1 2 ? 10.300 -4.713 2.378 1.00 0.00 ? 2 DG A P 10 +ATOM 5135 O OP1 . DG A 1 2 ? 10.638 -4.914 0.949 1.00 0.00 ? 2 DG A OP1 10 +ATOM 5136 O OP2 . DG A 1 2 ? 10.796 -5.668 3.388 1.00 0.00 ? 2 DG A OP2 10 +ATOM 5137 O "O5'" . DG A 1 2 ? 10.708 -3.218 2.820 1.00 0.00 ? 2 DG A "O5'" 10 +ATOM 5138 C "C5'" . DG A 1 2 ? 10.910 -2.176 1.878 1.00 0.00 ? 2 DG A "C5'" 10 +ATOM 5139 C "C4'" . DG A 1 2 ? 10.273 -0.856 2.343 1.00 0.00 ? 2 DG A "C4'" 10 +ATOM 5140 O "O4'" . DG A 1 2 ? 8.856 -0.986 2.317 1.00 0.00 ? 2 DG A "O4'" 10 +ATOM 5141 C "C3'" . DG A 1 2 ? 10.660 -0.409 3.768 1.00 0.00 ? 2 DG A "C3'" 10 +ATOM 5142 O "O3'" . DG A 1 2 ? 10.850 0.998 3.758 1.00 0.00 ? 2 DG A "O3'" 10 +ATOM 5143 C "C2'" . DG A 1 2 ? 9.408 -0.794 4.541 1.00 0.00 ? 2 DG A "C2'" 10 +ATOM 5144 C "C1'" . DG A 1 2 ? 8.347 -0.431 3.510 1.00 0.00 ? 2 DG A "C1'" 10 +ATOM 5145 N N9 . DG A 1 2 ? 7.042 -1.043 3.804 1.00 0.00 ? 2 DG A N9 10 +ATOM 5146 C C8 . DG A 1 2 ? 6.748 -2.323 4.186 1.00 0.00 ? 2 DG A C8 10 +ATOM 5147 N N7 . DG A 1 2 ? 5.468 -2.563 4.309 1.00 0.00 ? 2 DG A N7 10 +ATOM 5148 C C5 . DG A 1 2 ? 4.875 -1.321 4.034 1.00 0.00 ? 2 DG A C5 10 +ATOM 5149 C C6 . DG A 1 2 ? 3.508 -0.877 3.978 1.00 0.00 ? 2 DG A C6 10 +ATOM 5150 O O6 . DG A 1 2 ? 2.484 -1.528 4.139 1.00 0.00 ? 2 DG A O6 10 +ATOM 5151 N N1 . DG A 1 2 ? 3.352 0.463 3.664 1.00 0.00 ? 2 DG A N1 10 +ATOM 5152 C C2 . DG A 1 2 ? 4.399 1.292 3.443 1.00 0.00 ? 2 DG A C2 10 +ATOM 5153 N N2 . DG A 1 2 ? 4.150 2.562 3.324 1.00 0.00 ? 2 DG A N2 10 +ATOM 5154 N N3 . DG A 1 2 ? 5.670 0.926 3.477 1.00 0.00 ? 2 DG A N3 10 +ATOM 5155 C C4 . DG A 1 2 ? 5.846 -0.387 3.770 1.00 0.00 ? 2 DG A C4 10 +ATOM 5156 H "H5'" . DG A 1 2 ? 10.487 -2.407 0.897 1.00 0.00 ? 2 DG A "H5'" 10 +ATOM 5157 H "H5''" . DG A 1 2 ? 11.985 -2.033 1.756 1.00 0.00 ? 2 DG A "H5''" 10 +ATOM 5158 H "H4'" . DG A 1 2 ? 10.559 -0.085 1.624 1.00 0.00 ? 2 DG A "H4'" 10 +ATOM 5159 H "H3'" . DG A 1 2 ? 11.537 -0.938 4.144 1.00 0.00 ? 2 DG A "H3'" 10 +ATOM 5160 H "H2'" . DG A 1 2 ? 9.438 -1.867 4.730 1.00 0.00 ? 2 DG A "H2'" 10 +ATOM 5161 H "H2''" . DG A 1 2 ? 9.298 -0.266 5.484 1.00 0.00 ? 2 DG A "H2''" 10 +ATOM 5162 H "H1'" . DG A 1 2 ? 8.270 0.654 3.418 1.00 0.00 ? 2 DG A "H1'" 10 +ATOM 5163 H H8 . DG A 1 2 ? 7.518 -3.066 4.339 1.00 0.00 ? 2 DG A H8 10 +ATOM 5164 H H1 . DG A 1 2 ? 2.413 0.838 3.602 1.00 0.00 ? 2 DG A H1 10 +ATOM 5165 H H21 . DG A 1 2 ? 3.210 2.921 3.380 1.00 0.00 ? 2 DG A H21 10 +ATOM 5166 H H22 . DG A 1 2 ? 4.971 3.142 3.343 1.00 0.00 ? 2 DG A H22 10 +ATOM 5167 P P . DG A 1 3 ? 11.117 1.852 5.095 1.00 0.00 ? 3 DG A P 10 +ATOM 5168 O OP1 . DG A 1 3 ? 12.019 2.966 4.734 1.00 0.00 ? 3 DG A OP1 10 +ATOM 5169 O OP2 . DG A 1 3 ? 11.501 0.916 6.172 1.00 0.00 ? 3 DG A OP2 10 +ATOM 5170 O "O5'" . DG A 1 3 ? 9.659 2.472 5.440 1.00 0.00 ? 3 DG A "O5'" 10 +ATOM 5171 C "C5'" . DG A 1 3 ? 9.087 3.490 4.627 1.00 0.00 ? 3 DG A "C5'" 10 +ATOM 5172 C "C4'" . DG A 1 3 ? 7.809 4.126 5.214 1.00 0.00 ? 3 DG A "C4'" 10 +ATOM 5173 O "O4'" . DG A 1 3 ? 6.663 3.277 5.173 1.00 0.00 ? 3 DG A "O4'" 10 +ATOM 5174 C "C3'" . DG A 1 3 ? 7.948 4.636 6.661 1.00 0.00 ? 3 DG A "C3'" 10 +ATOM 5175 O "O3'" . DG A 1 3 ? 7.595 6.005 6.738 1.00 0.00 ? 3 DG A "O3'" 10 +ATOM 5176 C "C2'" . DG A 1 3 ? 6.933 3.750 7.378 1.00 0.00 ? 3 DG A "C2'" 10 +ATOM 5177 C "C1'" . DG A 1 3 ? 5.862 3.561 6.309 1.00 0.00 ? 3 DG A "C1'" 10 +ATOM 5178 N N9 . DG A 1 3 ? 4.979 2.403 6.582 1.00 0.00 ? 3 DG A N9 10 +ATOM 5179 C C8 . DG A 1 3 ? 5.354 1.112 6.853 1.00 0.00 ? 3 DG A C8 10 +ATOM 5180 N N7 . DG A 1 3 ? 4.367 0.268 6.959 1.00 0.00 ? 3 DG A N7 10 +ATOM 5181 C C5 . DG A 1 3 ? 3.237 1.065 6.757 1.00 0.00 ? 3 DG A C5 10 +ATOM 5182 C C6 . DG A 1 3 ? 1.841 0.738 6.708 1.00 0.00 ? 3 DG A C6 10 +ATOM 5183 O O6 . DG A 1 3 ? 1.305 -0.355 6.829 1.00 0.00 ? 3 DG A O6 10 +ATOM 5184 N N1 . DG A 1 3 ? 1.010 1.819 6.506 1.00 0.00 ? 3 DG A N1 10 +ATOM 5185 C C2 . DG A 1 3 ? 1.471 3.072 6.286 1.00 0.00 ? 3 DG A C2 10 +ATOM 5186 N N2 . DG A 1 3 ? 0.564 3.992 6.108 1.00 0.00 ? 3 DG A N2 10 +ATOM 5187 N N3 . DG A 1 3 ? 2.757 3.421 6.304 1.00 0.00 ? 3 DG A N3 10 +ATOM 5188 C C4 . DG A 1 3 ? 3.601 2.376 6.548 1.00 0.00 ? 3 DG A C4 10 +ATOM 5189 H "H5'" . DG A 1 3 ? 8.859 3.089 3.638 1.00 0.00 ? 3 DG A "H5'" 10 +ATOM 5190 H "H5''" . DG A 1 3 ? 9.809 4.301 4.508 1.00 0.00 ? 3 DG A "H5''" 10 +ATOM 5191 H "H4'" . DG A 1 3 ? 7.573 4.977 4.571 1.00 0.00 ? 3 DG A "H4'" 10 +ATOM 5192 H "H3'" . DG A 1 3 ? 8.959 4.473 7.045 1.00 0.00 ? 3 DG A "H3'" 10 +ATOM 5193 H "H2'" . DG A 1 3 ? 7.390 2.806 7.646 1.00 0.00 ? 3 DG A "H2'" 10 +ATOM 5194 H "H2''" . DG A 1 3 ? 6.558 4.222 8.276 1.00 0.00 ? 3 DG A "H2''" 10 +ATOM 5195 H "H1'" . DG A 1 3 ? 5.303 4.485 6.173 1.00 0.00 ? 3 DG A "H1'" 10 +ATOM 5196 H H8 . DG A 1 3 ? 6.381 0.806 6.954 1.00 0.00 ? 3 DG A H8 10 +ATOM 5197 H H1 . DG A 1 3 ? 0.015 1.620 6.491 1.00 0.00 ? 3 DG A H1 10 +ATOM 5198 H H21 . DG A 1 3 ? -0.419 3.764 6.170 1.00 0.00 ? 3 DG A H21 10 +ATOM 5199 H H22 . DG A 1 3 ? 0.909 4.927 5.998 1.00 0.00 ? 3 DG A H22 10 +ATOM 5200 P P . DA A 1 4 ? 7.710 6.843 8.109 1.00 0.00 ? 4 DA A P 10 +ATOM 5201 O OP1 . DA A 1 4 ? 8.308 8.157 7.793 1.00 0.00 ? 4 DA A OP1 10 +ATOM 5202 O OP2 . DA A 1 4 ? 8.318 5.982 9.146 1.00 0.00 ? 4 DA A OP2 10 +ATOM 5203 O "O5'" . DA A 1 4 ? 6.163 7.073 8.489 1.00 0.00 ? 4 DA A "O5'" 10 +ATOM 5204 C "C5'" . DA A 1 4 ? 5.349 7.918 7.693 1.00 0.00 ? 4 DA A "C5'" 10 +ATOM 5205 C "C4'" . DA A 1 4 ? 3.884 7.923 8.153 1.00 0.00 ? 4 DA A "C4'" 10 +ATOM 5206 O "O4'" . DA A 1 4 ? 3.321 6.618 8.074 1.00 0.00 ? 4 DA A "O4'" 10 +ATOM 5207 C "C3'" . DA A 1 4 ? 3.657 8.445 9.585 1.00 0.00 ? 4 DA A "C3'" 10 +ATOM 5208 O "O3'" . DA A 1 4 ? 2.586 9.369 9.579 1.00 0.00 ? 4 DA A "O3'" 10 +ATOM 5209 C "C2'" . DA A 1 4 ? 3.324 7.155 10.331 1.00 0.00 ? 4 DA A "C2'" 10 +ATOM 5210 C "C1'" . DA A 1 4 ? 2.586 6.367 9.254 1.00 0.00 ? 4 DA A "C1'" 10 +ATOM 5211 N N9 . DA A 1 4 ? 2.651 4.913 9.506 1.00 0.00 ? 4 DA A N9 10 +ATOM 5212 C C8 . DA A 1 4 ? 3.756 4.116 9.699 1.00 0.00 ? 4 DA A C8 10 +ATOM 5213 N N7 . DA A 1 4 ? 3.490 2.844 9.815 1.00 0.00 ? 4 DA A N7 10 +ATOM 5214 C C5 . DA A 1 4 ? 2.099 2.802 9.690 1.00 0.00 ? 4 DA A C5 10 +ATOM 5215 C C6 . DA A 1 4 ? 1.126 1.779 9.692 1.00 0.00 ? 4 DA A C6 10 +ATOM 5216 N N6 . DA A 1 4 ? 1.392 0.495 9.828 1.00 0.00 ? 4 DA A N6 10 +ATOM 5217 N N1 . DA A 1 4 ? -0.170 2.064 9.532 1.00 0.00 ? 4 DA A N1 10 +ATOM 5218 C C2 . DA A 1 4 ? -0.525 3.334 9.380 1.00 0.00 ? 4 DA A C2 10 +ATOM 5219 N N3 . DA A 1 4 ? 0.273 4.394 9.372 1.00 0.00 ? 4 DA A N3 10 +ATOM 5220 C C4 . DA A 1 4 ? 1.583 4.060 9.523 1.00 0.00 ? 4 DA A C4 10 +ATOM 5221 H "H5'" . DA A 1 4 ? 5.370 7.582 6.654 1.00 0.00 ? 4 DA A "H5'" 10 +ATOM 5222 H "H5''" . DA A 1 4 ? 5.727 8.942 7.733 1.00 0.00 ? 4 DA A "H5''" 10 +ATOM 5223 H "H4'" . DA A 1 4 ? 3.338 8.559 7.453 1.00 0.00 ? 4 DA A "H4'" 10 +ATOM 5224 H "H3'" . DA A 1 4 ? 4.563 8.914 9.980 1.00 0.00 ? 4 DA A "H3'" 10 +ATOM 5225 H "H2'" . DA A 1 4 ? 4.250 6.667 10.631 1.00 0.00 ? 4 DA A "H2'" 10 +ATOM 5226 H "H2''" . DA A 1 4 ? 2.701 7.317 11.210 1.00 0.00 ? 4 DA A "H2''" 10 +ATOM 5227 H "H1'" . DA A 1 4 ? 1.563 6.741 9.142 1.00 0.00 ? 4 DA A "H1'" 10 +ATOM 5228 H H8 . DA A 1 4 ? 4.766 4.492 9.763 1.00 0.00 ? 4 DA A H8 10 +ATOM 5229 H H61 . DA A 1 4 ? 0.614 -0.151 9.828 1.00 0.00 ? 4 DA A H61 10 +ATOM 5230 H H62 . DA A 1 4 ? 2.346 0.198 9.934 1.00 0.00 ? 4 DA A H62 10 +ATOM 5231 H H2 . DA A 1 4 ? -1.576 3.537 9.263 1.00 0.00 ? 4 DA A H2 10 +ATOM 5232 P P . DT A 1 5 ? 2.115 10.141 10.906 1.00 0.00 ? 5 DT A P 10 +ATOM 5233 O OP1 . DT A 1 5 ? 1.854 11.554 10.562 1.00 0.00 ? 5 DT A OP1 10 +ATOM 5234 O OP2 . DT A 1 5 ? 3.044 9.805 12.007 1.00 0.00 ? 5 DT A OP2 10 +ATOM 5235 O "O5'" . DT A 1 5 ? 0.712 9.417 11.186 1.00 0.00 ? 5 DT A "O5'" 10 +ATOM 5236 C "C5'" . DT A 1 5 ? 0.140 9.368 12.480 1.00 0.00 ? 5 DT A "C5'" 10 +ATOM 5237 C "C4'" . DT A 1 5 ? -1.167 8.558 12.433 1.00 0.00 ? 5 DT A "C4'" 10 +ATOM 5238 O "O4'" . DT A 1 5 ? -0.891 7.238 11.961 1.00 0.00 ? 5 DT A "O4'" 10 +ATOM 5239 C "C3'" . DT A 1 5 ? -1.797 8.416 13.836 1.00 0.00 ? 5 DT A "C3'" 10 +ATOM 5240 O "O3'" . DT A 1 5 ? -3.210 8.445 13.764 1.00 0.00 ? 5 DT A "O3'" 10 +ATOM 5241 C "C2'" . DT A 1 5 ? -1.357 7.004 14.196 1.00 0.00 ? 5 DT A "C2'" 10 +ATOM 5242 C "C1'" . DT A 1 5 ? -1.484 6.318 12.845 1.00 0.00 ? 5 DT A "C1'" 10 +ATOM 5243 N N1 . DT A 1 5 ? -0.747 5.023 12.820 1.00 0.00 ? 5 DT A N1 10 +ATOM 5244 C C2 . DT A 1 5 ? -1.526 3.880 12.671 1.00 0.00 ? 5 DT A C2 10 +ATOM 5245 O O2 . DT A 1 5 ? -2.745 3.877 12.597 1.00 0.00 ? 5 DT A O2 10 +ATOM 5246 N N3 . DT A 1 5 ? -0.872 2.684 12.651 1.00 0.00 ? 5 DT A N3 10 +ATOM 5247 C C4 . DT A 1 5 ? 0.474 2.494 12.786 1.00 0.00 ? 5 DT A C4 10 +ATOM 5248 O O4 . DT A 1 5 ? 0.891 1.343 12.789 1.00 0.00 ? 5 DT A O4 10 +ATOM 5249 C C5 . DT A 1 5 ? 1.260 3.718 12.950 1.00 0.00 ? 5 DT A C5 10 +ATOM 5250 C C7 . DT A 1 5 ? 2.778 3.667 13.133 1.00 0.00 ? 5 DT A C7 10 +ATOM 5251 C C6 . DT A 1 5 ? 0.633 4.926 12.979 1.00 0.00 ? 5 DT A C6 10 +ATOM 5252 H "H5'" . DT A 1 5 ? -0.076 10.380 12.828 1.00 0.00 ? 5 DT A "H5'" 10 +ATOM 5253 H "H5''" . DT A 1 5 ? 0.831 8.890 13.177 1.00 0.00 ? 5 DT A "H5''" 10 +ATOM 5254 H "H4'" . DT A 1 5 ? -1.864 9.056 11.756 1.00 0.00 ? 5 DT A "H4'" 10 +ATOM 5255 H "H3'" . DT A 1 5 ? -1.372 9.124 14.552 1.00 0.00 ? 5 DT A "H3'" 10 +ATOM 5256 H "H2'" . DT A 1 5 ? -0.306 7.079 14.476 1.00 0.00 ? 5 DT A "H2'" 10 +ATOM 5257 H "H2''" . DT A 1 5 ? -1.938 6.491 14.983 1.00 0.00 ? 5 DT A "H2''" 10 +ATOM 5258 H "H1'" . DT A 1 5 ? -2.550 6.242 12.578 1.00 0.00 ? 5 DT A "H1'" 10 +ATOM 5259 H H3 . DT A 1 5 ? -1.463 1.867 12.583 1.00 0.00 ? 5 DT A H3 10 +ATOM 5260 H H71 . DT A 1 5 ? 3.027 3.709 14.194 1.00 0.00 ? 5 DT A H71 10 +ATOM 5261 H H72 . DT A 1 5 ? 3.187 2.744 12.715 1.00 0.00 ? 5 DT A H72 10 +ATOM 5262 H H73 . DT A 1 5 ? 3.263 4.503 12.624 1.00 0.00 ? 5 DT A H73 10 +ATOM 5263 H H6 . DT A 1 5 ? 1.257 5.785 13.203 1.00 0.00 ? 5 DT A H6 10 +ATOM 5264 P P . DC A 1 6 ? -4.074 9.633 14.424 1.00 0.00 ? 6 DC A P 10 +ATOM 5265 O OP1 . DC A 1 6 ? -5.289 9.832 13.607 1.00 0.00 ? 6 DC A OP1 10 +ATOM 5266 O OP2 . DC A 1 6 ? -3.176 10.775 14.699 1.00 0.00 ? 6 DC A OP2 10 +ATOM 5267 O "O5'" . DC A 1 6 ? -4.517 8.995 15.833 1.00 0.00 ? 6 DC A "O5'" 10 +ATOM 5268 C "C5'" . DC A 1 6 ? -3.585 8.727 16.869 1.00 0.00 ? 6 DC A "C5'" 10 +ATOM 5269 C "C4'" . DC A 1 6 ? -3.834 7.322 17.442 1.00 0.00 ? 6 DC A "C4'" 10 +ATOM 5270 O "O4'" . DC A 1 6 ? -3.610 6.343 16.419 1.00 0.00 ? 6 DC A "O4'" 10 +ATOM 5271 C "C3'" . DC A 1 6 ? -2.875 7.003 18.617 1.00 0.00 ? 6 DC A "C3'" 10 +ATOM 5272 O "O3'" . DC A 1 6 ? -3.535 6.339 19.671 1.00 0.00 ? 6 DC A "O3'" 10 +ATOM 5273 C "C2'" . DC A 1 6 ? -1.898 6.063 17.933 1.00 0.00 ? 6 DC A "C2'" 10 +ATOM 5274 C "C1'" . DC A 1 6 ? -2.851 5.314 16.997 1.00 0.00 ? 6 DC A "C1'" 10 +ATOM 5275 N N1 . DC A 1 6 ? -2.146 4.311 16.160 1.00 0.00 ? 6 DC A N1 10 +ATOM 5276 C C2 . DC A 1 6 ? -2.538 2.965 16.237 1.00 0.00 ? 6 DC A C2 10 +ATOM 5277 O O2 . DC A 1 6 ? -3.710 2.654 16.411 1.00 0.00 ? 6 DC A O2 10 +ATOM 5278 N N3 . DC A 1 6 ? -1.616 1.962 16.135 1.00 0.00 ? 6 DC A N3 10 +ATOM 5279 C C4 . DC A 1 6 ? -0.339 2.292 16.003 1.00 0.00 ? 6 DC A C4 10 +ATOM 5280 N N4 . DC A 1 6 ? 0.524 1.321 15.925 1.00 0.00 ? 6 DC A N4 10 +ATOM 5281 C C5 . DC A 1 6 ? 0.086 3.643 15.884 1.00 0.00 ? 6 DC A C5 10 +ATOM 5282 C C6 . DC A 1 6 ? -0.837 4.579 15.932 1.00 0.00 ? 6 DC A C6 10 +ATOM 5283 H "H5'" . DC A 1 6 ? -3.727 9.472 17.653 1.00 0.00 ? 6 DC A "H5'" 10 +ATOM 5284 H "H5''" . DC A 1 6 ? -2.547 8.782 16.534 1.00 0.00 ? 6 DC A "H5''" 10 +ATOM 5285 H "H4'" . DC A 1 6 ? -4.869 7.263 17.784 1.00 0.00 ? 6 DC A "H4'" 10 +ATOM 5286 H "H3'" . DC A 1 6 ? -2.351 7.900 18.952 1.00 0.00 ? 6 DC A "H3'" 10 +ATOM 5287 H "H2'" . DC A 1 6 ? -1.218 6.741 17.432 1.00 0.00 ? 6 DC A "H2'" 10 +ATOM 5288 H "H2''" . DC A 1 6 ? -1.273 5.371 18.507 1.00 0.00 ? 6 DC A "H2''" 10 +ATOM 5289 H "H1'" . DC A 1 6 ? -3.585 4.814 17.541 1.00 0.00 ? 6 DC A "H1'" 10 +ATOM 5290 H H41 . DC A 1 6 ? 0.143 0.396 16.045 1.00 0.00 ? 6 DC A H41 10 +ATOM 5291 H H42 . DC A 1 6 ? 1.496 1.509 15.777 1.00 0.00 ? 6 DC A H42 10 +ATOM 5292 H H5 . DC A 1 6 ? 1.014 4.157 15.908 1.00 0.00 ? 6 DC A H5 10 +ATOM 5293 H H6 . DC A 1 6 ? -0.419 5.563 15.907 1.00 0.00 ? 6 DC A H6 10 +ATOM 5294 P P . DC A 1 7 ? -2.889 6.296 21.139 1.00 0.00 ? 7 DC A P 10 +ATOM 5295 O OP1 . DC A 1 7 ? -3.293 7.522 21.856 1.00 0.00 ? 7 DC A OP1 10 +ATOM 5296 O OP2 . DC A 1 7 ? -1.458 5.956 20.993 1.00 0.00 ? 7 DC A OP2 10 +ATOM 5297 O "O5'" . DC A 1 7 ? -3.631 5.030 21.791 1.00 0.00 ? 7 DC A "O5'" 10 +ATOM 5298 C "C5'" . DC A 1 7 ? -5.002 5.056 22.146 1.00 0.00 ? 7 DC A "C5'" 10 +ATOM 5299 C "C4'" . DC A 1 7 ? -5.599 3.650 22.390 1.00 0.00 ? 7 DC A "C4'" 10 +ATOM 5300 O "O4'" . DC A 1 7 ? -5.708 2.910 21.151 1.00 0.00 ? 7 DC A "O4'" 10 +ATOM 5301 C "C3'" . DC A 1 7 ? -4.748 2.766 23.325 1.00 0.00 ? 7 DC A "C3'" 10 +ATOM 5302 O "O3'" . DC A 1 7 ? -5.542 1.783 23.956 1.00 0.00 ? 7 DC A "O3'" 10 +ATOM 5303 C "C2'" . DC A 1 7 ? -3.860 2.064 22.306 1.00 0.00 ? 7 DC A "C2'" 10 +ATOM 5304 C "C1'" . DC A 1 7 ? -4.832 1.774 21.159 1.00 0.00 ? 7 DC A "C1'" 10 +ATOM 5305 N N1 . DC A 1 7 ? -4.015 1.648 19.918 1.00 0.00 ? 7 DC A N1 10 +ATOM 5306 C C2 . DC A 1 7 ? -3.658 0.332 19.623 1.00 0.00 ? 7 DC A C2 10 +ATOM 5307 O O2 . DC A 1 7 ? -4.485 -0.569 19.663 1.00 0.00 ? 7 DC A O2 10 +ATOM 5308 N N3 . DC A 1 7 ? -2.373 0.003 19.335 1.00 0.00 ? 7 DC A N3 10 +ATOM 5309 C C4 . DC A 1 7 ? -1.487 0.976 19.253 1.00 0.00 ? 7 DC A C4 10 +ATOM 5310 N N4 . DC A 1 7 ? -0.243 0.624 19.108 1.00 0.00 ? 7 DC A N4 10 +ATOM 5311 C C5 . DC A 1 7 ? -1.826 2.346 19.399 1.00 0.00 ? 7 DC A C5 10 +ATOM 5312 C C6 . DC A 1 7 ? -3.115 2.653 19.645 1.00 0.00 ? 7 DC A C6 10 +ATOM 5313 H "H5'" . DC A 1 7 ? -5.593 5.533 21.361 1.00 0.00 ? 7 DC A "H5'" 10 +ATOM 5314 H "H5''" . DC A 1 7 ? -5.105 5.647 23.058 1.00 0.00 ? 7 DC A "H5''" 10 +ATOM 5315 H "H4'" . DC A 1 7 ? -6.575 3.890 22.851 1.00 0.00 ? 7 DC A "H4'" 10 +ATOM 5316 H "H3'" . DC A 1 7 ? -4.146 3.349 24.033 1.00 0.00 ? 7 DC A "H3'" 10 +ATOM 5317 H "H2'" . DC A 1 7 ? -3.097 2.782 22.059 1.00 0.00 ? 7 DC A "H2'" 10 +ATOM 5318 H "H2''" . DC A 1 7 ? -3.295 1.188 22.589 1.00 0.00 ? 7 DC A "H2''" 10 +ATOM 5319 H "H1'" . DC A 1 7 ? -5.368 0.821 21.386 1.00 0.00 ? 7 DC A "H1'" 10 +ATOM 5320 H H41 . DC A 1 7 ? -0.084 -0.370 19.076 1.00 0.00 ? 7 DC A H41 10 +ATOM 5321 H H42 . DC A 1 7 ? 0.480 1.299 19.304 1.00 0.00 ? 7 DC A H42 10 +ATOM 5322 H H5 . DC A 1 7 ? -1.104 3.122 19.510 1.00 0.00 ? 7 DC A H5 10 +ATOM 5323 H H6 . DC A 1 7 ? -3.353 3.705 19.776 1.00 0.00 ? 7 DC A H6 10 +ATOM 5324 P P . DU A 1 8 ? -6.101 2.030 25.434 1.00 0.00 ? 8 DU A P 10 +ATOM 5325 O OP1 . DU A 1 8 ? -7.106 0.994 25.752 1.00 0.00 ? 8 DU A OP1 10 +ATOM 5326 O OP2 . DU A 1 8 ? -6.419 3.465 25.582 1.00 0.00 ? 8 DU A OP2 10 +ATOM 5327 O "O5'" . DU A 1 8 ? -4.764 1.699 26.257 1.00 0.00 ? 8 DU A "O5'" 10 +ATOM 5328 C "C5'" . DU A 1 8 ? -4.375 0.354 26.486 1.00 0.00 ? 8 DU A "C5'" 10 +ATOM 5329 C "C4'" . DU A 1 8 ? -2.865 0.252 26.748 1.00 0.00 ? 8 DU A "C4'" 10 +ATOM 5330 O "O4'" . DU A 1 8 ? -2.141 0.348 25.512 1.00 0.00 ? 8 DU A "O4'" 10 +ATOM 5331 C "C3'" . DU A 1 8 ? -2.291 1.348 27.676 1.00 0.00 ? 8 DU A "C3'" 10 +ATOM 5332 O "O3'" . DU A 1 8 ? -1.407 0.757 28.640 1.00 0.00 ? 8 DU A "O3'" 10 +ATOM 5333 C "C2'" . DU A 1 8 ? -1.538 2.239 26.678 1.00 0.00 ? 8 DU A "C2'" 10 +ATOM 5334 C "C1'" . DU A 1 8 ? -1.016 1.182 25.711 1.00 0.00 ? 8 DU A "C1'" 10 +ATOM 5335 N N1 . DU A 1 8 ? -0.432 1.610 24.430 1.00 0.00 ? 8 DU A N1 10 +ATOM 5336 C C2 . DU A 1 8 ? 0.352 0.654 23.783 1.00 0.00 ? 8 DU A C2 10 +ATOM 5337 O O2 . DU A 1 8 ? 0.680 -0.418 24.269 1.00 0.00 ? 8 DU A O2 10 +ATOM 5338 N N3 . DU A 1 8 ? 0.834 0.986 22.543 1.00 0.00 ? 8 DU A N3 10 +ATOM 5339 C C4 . DU A 1 8 ? 0.628 2.181 21.902 1.00 0.00 ? 8 DU A C4 10 +ATOM 5340 O O4 . DU A 1 8 ? 1.143 2.353 20.803 1.00 0.00 ? 8 DU A O4 10 +ATOM 5341 C C5 . DU A 1 8 ? -0.183 3.136 22.630 1.00 0.00 ? 8 DU A C5 10 +ATOM 5342 C C6 . DU A 1 8 ? -0.695 2.842 23.853 1.00 0.00 ? 8 DU A C6 10 +ATOM 5343 H "H5'" . DU A 1 8 ? -4.600 -0.285 25.628 1.00 0.00 ? 8 DU A "H5'" 10 +ATOM 5344 H "H5''" . DU A 1 8 ? -4.915 -0.027 27.354 1.00 0.00 ? 8 DU A "H5''" 10 +ATOM 5345 H "H4'" . DU A 1 8 ? -2.646 -0.738 27.175 1.00 0.00 ? 8 DU A "H4'" 10 +ATOM 5346 H "H3'" . DU A 1 8 ? -3.124 1.882 28.158 1.00 0.00 ? 8 DU A "H3'" 10 +ATOM 5347 H "H2'" . DU A 1 8 ? -2.282 2.889 26.209 1.00 0.00 ? 8 DU A "H2'" 10 +ATOM 5348 H "H2''" . DU A 1 8 ? -0.733 2.822 27.142 1.00 0.00 ? 8 DU A "H2''" 10 +ATOM 5349 H "H1'" . DU A 1 8 ? -0.304 0.560 26.278 1.00 0.00 ? 8 DU A "H1'" 10 +ATOM 5350 H H3 . DU A 1 8 ? 1.340 0.266 22.049 1.00 0.00 ? 8 DU A H3 10 +ATOM 5351 H H5 . DU A 1 8 ? -0.379 4.095 22.177 1.00 0.00 ? 8 DU A H5 10 +ATOM 5352 H H6 . DU A 1 8 ? -1.296 3.609 24.319 1.00 0.00 ? 8 DU A H6 10 +ATOM 5353 P P . DT A 1 9 ? -1.107 1.730 29.904 1.00 0.00 ? 9 DT A P 10 +ATOM 5354 O OP1 . DT A 1 9 ? -2.272 1.627 30.810 1.00 0.00 ? 9 DT A OP1 10 +ATOM 5355 O OP2 . DT A 1 9 ? -0.684 3.069 29.435 1.00 0.00 ? 9 DT A OP2 10 +ATOM 5356 O "O5'" . DT A 1 9 ? 0.141 1.010 30.634 1.00 0.00 ? 9 DT A "O5'" 10 +ATOM 5357 C "C5'" . DT A 1 9 ? 1.492 1.159 30.211 1.00 0.00 ? 9 DT A "C5'" 10 +ATOM 5358 C "C4'" . DT A 1 9 ? 1.783 0.694 28.768 1.00 0.00 ? 9 DT A "C4'" 10 +ATOM 5359 O "O4'" . DT A 1 9 ? 1.368 1.698 27.855 1.00 0.00 ? 9 DT A "O4'" 10 +ATOM 5360 C "C3'" . DT A 1 9 ? 3.292 0.473 28.521 1.00 0.00 ? 9 DT A "C3'" 10 +ATOM 5361 O "O3'" . DT A 1 9 ? 3.598 -0.881 28.243 1.00 0.00 ? 9 DT A "O3'" 10 +ATOM 5362 C "C2'" . DT A 1 9 ? 3.609 1.256 27.242 1.00 0.00 ? 9 DT A "C2'" 10 +ATOM 5363 C "C1'" . DT A 1 9 ? 2.267 1.797 26.776 1.00 0.00 ? 9 DT A "C1'" 10 +ATOM 5364 N N1 . DT A 1 9 ? 2.384 3.209 26.287 1.00 0.00 ? 9 DT A N1 10 +ATOM 5365 C C2 . DT A 1 9 ? 2.355 4.218 27.258 1.00 0.00 ? 9 DT A C2 10 +ATOM 5366 O O2 . DT A 1 9 ? 2.517 4.052 28.457 1.00 0.00 ? 9 DT A O2 10 +ATOM 5367 N N3 . DT A 1 9 ? 2.233 5.506 26.809 1.00 0.00 ? 9 DT A N3 10 +ATOM 5368 C C4 . DT A 1 9 ? 2.317 5.910 25.502 1.00 0.00 ? 9 DT A C4 10 +ATOM 5369 O O4 . DT A 1 9 ? 2.205 7.104 25.265 1.00 0.00 ? 9 DT A O4 10 +ATOM 5370 C C5 . DT A 1 9 ? 2.594 4.840 24.542 1.00 0.00 ? 9 DT A C5 10 +ATOM 5371 C C7 . DT A 1 9 ? 2.880 5.161 23.072 1.00 0.00 ? 9 DT A C7 10 +ATOM 5372 C C6 . DT A 1 9 ? 2.622 3.544 24.959 1.00 0.00 ? 9 DT A C6 10 +ATOM 5373 H "H5'" . DT A 1 9 ? 2.082 0.541 30.891 1.00 0.00 ? 9 DT A "H5'" 10 +ATOM 5374 H "H5''" . DT A 1 9 ? 1.814 2.193 30.344 1.00 0.00 ? 9 DT A "H5''" 10 +ATOM 5375 H "H4'" . DT A 1 9 ? 1.228 -0.227 28.590 1.00 0.00 ? 9 DT A "H4'" 10 +ATOM 5376 H "H3'" . DT A 1 9 ? 3.905 0.861 29.339 1.00 0.00 ? 9 DT A "H3'" 10 +ATOM 5377 H "H2'" . DT A 1 9 ? 4.286 2.081 27.452 1.00 0.00 ? 9 DT A "H2'" 10 +ATOM 5378 H "H2''" . DT A 1 9 ? 4.057 0.638 26.466 1.00 0.00 ? 9 DT A "H2''" 10 +ATOM 5379 H "H1'" . DT A 1 9 ? 1.859 1.092 26.052 1.00 0.00 ? 9 DT A "H1'" 10 +ATOM 5380 H H3 . DT A 1 9 ? 2.130 6.212 27.508 1.00 0.00 ? 9 DT A H3 10 +ATOM 5381 H H71 . DT A 1 9 ? 2.756 4.292 22.423 1.00 0.00 ? 9 DT A H71 10 +ATOM 5382 H H72 . DT A 1 9 ? 2.195 5.934 22.721 1.00 0.00 ? 9 DT A H72 10 +ATOM 5383 H H73 . DT A 1 9 ? 3.902 5.529 22.968 1.00 0.00 ? 9 DT A H73 10 +ATOM 5384 H H6 . DT A 1 9 ? 2.906 2.822 24.207 1.00 0.00 ? 9 DT A H6 10 +ATOM 5385 P P . DT A 1 10 B 3.581 -1.998 29.393 1.00 0.00 ? 1 DT A P 10 +ATOM 5386 O OP1 . DT A 1 10 B 2.193 -2.117 29.892 1.00 0.00 ? 1 DT A OP1 10 +ATOM 5387 O OP2 . DT A 1 10 B 4.689 -1.700 30.324 1.00 0.00 ? 1 DT A OP2 10 +ATOM 5388 O "O5'" . DT A 1 10 B 3.918 -3.344 28.583 1.00 0.00 ? 1 DT A "O5'" 10 +ATOM 5389 C "C5'" . DT A 1 10 B 5.188 -3.578 28.002 1.00 0.00 ? 1 DT A "C5'" 10 +ATOM 5390 C "C4'" . DT A 1 10 B 5.162 -4.881 27.175 1.00 0.00 ? 1 DT A "C4'" 10 +ATOM 5391 O "O4'" . DT A 1 10 B 4.244 -4.736 26.092 1.00 0.00 ? 1 DT A "O4'" 10 +ATOM 5392 C "C3'" . DT A 1 10 B 6.547 -5.162 26.550 1.00 0.00 ? 1 DT A "C3'" 10 +ATOM 5393 O "O3'" . DT A 1 10 B 6.778 -6.502 26.162 1.00 0.00 ? 1 DT A "O3'" 10 +ATOM 5394 C "C2'" . DT A 1 10 B 6.427 -4.375 25.252 1.00 0.00 ? 1 DT A "C2'" 10 +ATOM 5395 C "C1'" . DT A 1 10 B 4.970 -4.688 24.884 1.00 0.00 ? 1 DT A "C1'" 10 +ATOM 5396 N N1 . DT A 1 10 B 4.295 -3.752 23.946 1.00 0.00 ? 1 DT A N1 10 +ATOM 5397 C C2 . DT A 1 10 B 3.263 -4.284 23.170 1.00 0.00 ? 1 DT A C2 10 +ATOM 5398 O O2 . DT A 1 10 B 2.936 -5.463 23.172 1.00 0.00 ? 1 DT A O2 10 +ATOM 5399 N N3 . DT A 1 10 B 2.603 -3.421 22.334 1.00 0.00 ? 1 DT A N3 10 +ATOM 5400 C C4 . DT A 1 10 B 2.764 -2.056 22.301 1.00 0.00 ? 1 DT A C4 10 +ATOM 5401 O O4 . DT A 1 10 B 2.073 -1.394 21.540 1.00 0.00 ? 1 DT A O4 10 +ATOM 5402 C C5 . DT A 1 10 B 3.787 -1.533 23.207 1.00 0.00 ? 1 DT A C5 10 +ATOM 5403 C C7 . DT A 1 10 B 4.056 -0.032 23.317 1.00 0.00 ? 1 DT A C7 10 +ATOM 5404 C C6 . DT A 1 10 B 4.502 -2.384 23.987 1.00 0.00 ? 1 DT A C6 10 +ATOM 5405 H "H5'" . DT A 1 10 B 5.934 -3.674 28.795 1.00 0.00 ? 1 DT A "H5'" 10 +ATOM 5406 H "H5''" . DT A 1 10 B 5.461 -2.739 27.360 1.00 0.00 ? 1 DT A "H5''" 10 +ATOM 5407 H "H4'" . DT A 1 10 B 4.849 -5.685 27.838 1.00 0.00 ? 1 DT A "H4'" 10 +ATOM 5408 H "H3'" . DT A 1 10 B 7.373 -4.787 27.161 1.00 0.00 ? 1 DT A "H3'" 10 +ATOM 5409 H "H2'" . DT A 1 10 B 6.625 -3.333 25.480 1.00 0.00 ? 1 DT A "H2'" 10 +ATOM 5410 H "H2''" . DT A 1 10 B 7.125 -4.720 24.488 1.00 0.00 ? 1 DT A "H2''" 10 +ATOM 5411 H "H1'" . DT A 1 10 B 4.980 -5.700 24.472 1.00 0.00 ? 1 DT A "H1'" 10 +ATOM 5412 H H3 . DT A 1 10 B 1.958 -3.845 21.676 1.00 0.00 ? 1 DT A H3 10 +ATOM 5413 H H71 . DT A 1 10 B 5.058 0.180 23.696 1.00 0.00 ? 1 DT A H71 10 +ATOM 5414 H H72 . DT A 1 10 B 3.962 0.434 22.338 1.00 0.00 ? 1 DT A H72 10 +ATOM 5415 H H73 . DT A 1 10 B 3.322 0.408 23.993 1.00 0.00 ? 1 DT A H73 10 +ATOM 5416 H H6 . DT A 1 10 B 5.221 -1.942 24.654 1.00 0.00 ? 1 DT A H6 10 +ATOM 5417 P P . DT A 1 11 B 7.042 -7.670 27.230 1.00 0.00 ? 2 DT A P 10 +ATOM 5418 O OP1 . DT A 1 11 B 7.747 -7.077 28.387 1.00 0.00 ? 2 DT A OP1 10 +ATOM 5419 O OP2 . DT A 1 11 B 7.635 -8.818 26.513 1.00 0.00 ? 2 DT A OP2 10 +ATOM 5420 O "O5'" . DT A 1 11 B 5.554 -8.071 27.678 1.00 0.00 ? 2 DT A "O5'" 10 +ATOM 5421 C "C5'" . DT A 1 11 B 4.611 -8.557 26.736 1.00 0.00 ? 2 DT A "C5'" 10 +ATOM 5422 C "C4'" . DT A 1 11 B 3.205 -8.621 27.357 1.00 0.00 ? 2 DT A "C4'" 10 +ATOM 5423 O "O4'" . DT A 1 11 B 2.769 -7.309 27.710 1.00 0.00 ? 2 DT A "O4'" 10 +ATOM 5424 C "C3'" . DT A 1 11 B 2.172 -9.182 26.361 1.00 0.00 ? 2 DT A "C3'" 10 +ATOM 5425 O "O3'" . DT A 1 11 B 1.281 -10.097 26.969 1.00 0.00 ? 2 DT A "O3'" 10 +ATOM 5426 C "C2'" . DT A 1 11 B 1.424 -7.921 25.972 1.00 0.00 ? 2 DT A "C2'" 10 +ATOM 5427 C "C1'" . DT A 1 11 B 1.442 -7.121 27.268 1.00 0.00 ? 2 DT A "C1'" 10 +ATOM 5428 N N1 . DT A 1 11 B 1.133 -5.668 27.126 1.00 0.00 ? 2 DT A N1 10 +ATOM 5429 C C2 . DT A 1 11 B 1.178 -4.921 28.305 1.00 0.00 ? 2 DT A C2 10 +ATOM 5430 O O2 . DT A 1 11 B 1.481 -5.387 29.395 1.00 0.00 ? 2 DT A O2 10 +ATOM 5431 N N3 . DT A 1 11 B 0.779 -3.612 28.228 1.00 0.00 ? 2 DT A N3 10 +ATOM 5432 C C4 . DT A 1 11 B 0.294 -2.979 27.111 1.00 0.00 ? 2 DT A C4 10 +ATOM 5433 O O4 . DT A 1 11 B -0.082 -1.819 27.208 1.00 0.00 ? 2 DT A O4 10 +ATOM 5434 C C5 . DT A 1 11 B 0.264 -3.803 25.899 1.00 0.00 ? 2 DT A C5 10 +ATOM 5435 C C7 . DT A 1 11 B -0.320 -3.275 24.586 1.00 0.00 ? 2 DT A C7 10 +ATOM 5436 C C6 . DT A 1 11 B 0.701 -5.089 25.941 1.00 0.00 ? 2 DT A C6 10 +ATOM 5437 H "H5'" . DT A 1 11 B 4.909 -9.558 26.415 1.00 0.00 ? 2 DT A "H5'" 10 +ATOM 5438 H "H5''" . DT A 1 11 B 4.565 -7.906 25.860 1.00 0.00 ? 2 DT A "H5''" 10 +ATOM 5439 H "H4'" . DT A 1 11 B 3.241 -9.249 28.249 1.00 0.00 ? 2 DT A "H4'" 10 +ATOM 5440 H "H3'" . DT A 1 11 B 2.662 -9.604 25.482 1.00 0.00 ? 2 DT A "H3'" 10 +ATOM 5441 H "H2'" . DT A 1 11 B 2.000 -7.410 25.204 1.00 0.00 ? 2 DT A "H2'" 10 +ATOM 5442 H "H2''" . DT A 1 11 B 0.409 -8.156 25.654 1.00 0.00 ? 2 DT A "H2''" 10 +ATOM 5443 H "H1'" . DT A 1 11 B 0.752 -7.582 27.980 1.00 0.00 ? 2 DT A "H1'" 10 +ATOM 5444 H H3 . DT A 1 11 B 1.084 -3.019 29.007 1.00 0.00 ? 2 DT A H3 10 +ATOM 5445 H H71 . DT A 1 11 B -0.943 -2.396 24.765 1.00 0.00 ? 2 DT A H71 10 +ATOM 5446 H H72 . DT A 1 11 B 0.485 -2.987 23.912 1.00 0.00 ? 2 DT A H72 10 +ATOM 5447 H H73 . DT A 1 11 B -0.938 -4.031 24.097 1.00 0.00 ? 2 DT A H73 10 +ATOM 5448 H H6 . DT A 1 11 B 0.709 -5.623 25.002 1.00 0.00 ? 2 DT A H6 10 +ATOM 5449 P P . DG A 1 12 B 0.459 -11.172 26.093 1.00 0.00 ? 3 DG A P 10 +ATOM 5450 O OP1 . DG A 1 12 B -0.403 -11.940 27.016 1.00 0.00 ? 3 DG A OP1 10 +ATOM 5451 O OP2 . DG A 1 12 B 1.432 -11.885 25.238 1.00 0.00 ? 3 DG A OP2 10 +ATOM 5452 O "O5'" . DG A 1 12 B -0.500 -10.287 25.138 1.00 0.00 ? 3 DG A "O5'" 10 +ATOM 5453 C "C5'" . DG A 1 12 B -0.370 -10.292 23.721 1.00 0.00 ? 3 DG A "C5'" 10 +ATOM 5454 C "C4'" . DG A 1 12 B -1.397 -9.341 23.066 1.00 0.00 ? 3 DG A "C4'" 10 +ATOM 5455 O "O4'" . DG A 1 12 B -0.898 -7.997 22.960 1.00 0.00 ? 3 DG A "O4'" 10 +ATOM 5456 C "C3'" . DG A 1 12 B -1.791 -9.775 21.631 1.00 0.00 ? 3 DG A "C3'" 10 +ATOM 5457 O "O3'" . DG A 1 12 B -3.198 -9.676 21.481 1.00 0.00 ? 3 DG A "O3'" 10 +ATOM 5458 C "C2'" . DG A 1 12 B -1.094 -8.702 20.798 1.00 0.00 ? 3 DG A "C2'" 10 +ATOM 5459 C "C1'" . DG A 1 12 B -1.312 -7.500 21.698 1.00 0.00 ? 3 DG A "C1'" 10 +ATOM 5460 N N9 . DG A 1 12 B -0.578 -6.306 21.226 1.00 0.00 ? 3 DG A N9 10 +ATOM 5461 C C8 . DG A 1 12 B 0.746 -6.167 20.895 1.00 0.00 ? 3 DG A C8 10 +ATOM 5462 N N7 . DG A 1 12 B 1.075 -4.971 20.484 1.00 0.00 ? 3 DG A N7 10 +ATOM 5463 C C5 . DG A 1 12 B -0.144 -4.282 20.471 1.00 0.00 ? 3 DG A C5 10 +ATOM 5464 C C6 . DG A 1 12 B -0.509 -2.975 19.995 1.00 0.00 ? 3 DG A C6 10 +ATOM 5465 O O6 . DG A 1 12 B 0.197 -2.124 19.475 1.00 0.00 ? 3 DG A O6 10 +ATOM 5466 N N1 . DG A 1 12 B -1.849 -2.673 20.132 1.00 0.00 ? 3 DG A N1 10 +ATOM 5467 C C2 . DG A 1 12 B -2.770 -3.575 20.543 1.00 0.00 ? 3 DG A C2 10 +ATOM 5468 N N2 . DG A 1 12 B -4.016 -3.272 20.317 1.00 0.00 ? 3 DG A N2 10 +ATOM 5469 N N3 . DG A 1 12 B -2.489 -4.822 20.908 1.00 0.00 ? 3 DG A N3 10 +ATOM 5470 C C4 . DG A 1 12 B -1.158 -5.109 20.888 1.00 0.00 ? 3 DG A C4 10 +ATOM 5471 H "H5'" . DG A 1 12 B -0.561 -11.312 23.382 1.00 0.00 ? 3 DG A "H5'" 10 +ATOM 5472 H "H5''" . DG A 1 12 B 0.639 -10.006 23.415 1.00 0.00 ? 3 DG A "H5''" 10 +ATOM 5473 H "H4'" . DG A 1 12 B -2.292 -9.353 23.695 1.00 0.00 ? 3 DG A "H4'" 10 +ATOM 5474 H "H3'" . DG A 1 12 B -1.437 -10.778 21.382 1.00 0.00 ? 3 DG A "H3'" 10 +ATOM 5475 H "H2'" . DG A 1 12 B -0.034 -8.933 20.725 1.00 0.00 ? 3 DG A "H2'" 10 +ATOM 5476 H "H2''" . DG A 1 12 B -1.507 -8.552 19.804 1.00 0.00 ? 3 DG A "H2''" 10 +ATOM 5477 H "H1'" . DG A 1 12 B -2.374 -7.268 21.735 1.00 0.00 ? 3 DG A "H1'" 10 +ATOM 5478 H H8 . DG A 1 12 B 1.456 -6.978 20.935 1.00 0.00 ? 3 DG A H8 10 +ATOM 5479 H H1 . DG A 1 12 B -2.137 -1.762 19.797 1.00 0.00 ? 3 DG A H1 10 +ATOM 5480 H H21 . DG A 1 12 B -4.261 -2.368 19.941 1.00 0.00 ? 3 DG A H21 10 +ATOM 5481 H H22 . DG A 1 12 B -4.635 -4.069 20.289 1.00 0.00 ? 3 DG A H22 10 +ATOM 5482 P P . DG A 1 13 B -3.967 -10.246 20.187 1.00 0.00 ? 4 DG A P 10 +ATOM 5483 O OP1 . DG A 1 13 B -4.739 -11.433 20.609 1.00 0.00 ? 4 DG A OP1 10 +ATOM 5484 O OP2 . DG A 1 13 B -2.996 -10.358 19.078 1.00 0.00 ? 4 DG A OP2 10 +ATOM 5485 O "O5'" . DG A 1 13 B -5.002 -9.059 19.828 1.00 0.00 ? 4 DG A "O5'" 10 +ATOM 5486 C "C5'" . DG A 1 13 B -4.563 -7.720 19.675 1.00 0.00 ? 4 DG A "C5'" 10 +ATOM 5487 C "C4'" . DG A 1 13 B -5.644 -6.829 19.036 1.00 0.00 ? 4 DG A "C4'" 10 +ATOM 5488 O "O4'" . DG A 1 13 B -5.118 -5.504 18.943 1.00 0.00 ? 4 DG A "O4'" 10 +ATOM 5489 C "C3'" . DG A 1 13 B -6.000 -7.274 17.607 1.00 0.00 ? 4 DG A "C3'" 10 +ATOM 5490 O "O3'" . DG A 1 13 B -7.299 -6.829 17.264 1.00 0.00 ? 4 DG A "O3'" 10 +ATOM 5491 C "C2'" . DG A 1 13 B -4.939 -6.502 16.838 1.00 0.00 ? 4 DG A "C2'" 10 +ATOM 5492 C "C1'" . DG A 1 13 B -4.933 -5.162 17.576 1.00 0.00 ? 4 DG A "C1'" 10 +ATOM 5493 N N9 . DG A 1 13 B -3.641 -4.465 17.398 1.00 0.00 ? 4 DG A N9 10 +ATOM 5494 C C8 . DG A 1 13 B -2.384 -5.005 17.464 1.00 0.00 ? 4 DG A C8 10 +ATOM 5495 N N7 . DG A 1 13 B -1.420 -4.172 17.191 1.00 0.00 ? 4 DG A N7 10 +ATOM 5496 C C5 . DG A 1 13 B -2.092 -2.975 16.918 1.00 0.00 ? 4 DG A C5 10 +ATOM 5497 C C6 . DG A 1 13 B -1.616 -1.669 16.555 1.00 0.00 ? 4 DG A C6 10 +ATOM 5498 O O6 . DG A 1 13 B -0.466 -1.298 16.359 1.00 0.00 ? 4 DG A O6 10 +ATOM 5499 N N1 . DG A 1 13 B -2.608 -0.723 16.394 1.00 0.00 ? 4 DG A N1 10 +ATOM 5500 C C2 . DG A 1 13 B -3.921 -1.002 16.558 1.00 0.00 ? 4 DG A C2 10 +ATOM 5501 N N2 . DG A 1 13 B -4.744 -0.006 16.382 1.00 0.00 ? 4 DG A N2 10 +ATOM 5502 N N3 . DG A 1 13 B -4.415 -2.205 16.847 1.00 0.00 ? 4 DG A N3 10 +ATOM 5503 C C4 . DG A 1 13 B -3.452 -3.154 17.026 1.00 0.00 ? 4 DG A C4 10 +ATOM 5504 H "H5'" . DG A 1 13 B -3.656 -7.679 19.070 1.00 0.00 ? 4 DG A "H5'" 10 +ATOM 5505 H "H5''" . DG A 1 13 B -4.339 -7.314 20.662 1.00 0.00 ? 4 DG A "H5''" 10 +ATOM 5506 H "H4'" . DG A 1 13 B -6.530 -6.845 19.672 1.00 0.00 ? 4 DG A "H4'" 10 +ATOM 5507 H "H3'" . DG A 1 13 B -5.918 -8.358 17.486 1.00 0.00 ? 4 DG A "H3'" 10 +ATOM 5508 H "H2'" . DG A 1 13 B -4.004 -7.047 16.939 1.00 0.00 ? 4 DG A "H2'" 10 +ATOM 5509 H "H2''" . DG A 1 13 B -5.141 -6.395 15.781 1.00 0.00 ? 4 DG A "H2''" 10 +ATOM 5510 H "H1'" . DG A 1 13 B -5.774 -4.554 17.237 1.00 0.00 ? 4 DG A "H1'" 10 +ATOM 5511 H H8 . DG A 1 13 B -2.210 -6.042 17.703 1.00 0.00 ? 4 DG A H8 10 +ATOM 5512 H H1 . DG A 1 13 B -2.308 0.233 16.235 1.00 0.00 ? 4 DG A H1 10 +ATOM 5513 H H21 . DG A 1 13 B -4.394 0.931 16.237 1.00 0.00 ? 4 DG A H21 10 +ATOM 5514 H H22 . DG A 1 13 B -5.715 -0.225 16.503 1.00 0.00 ? 4 DG A H22 10 +ATOM 5515 P P . DA A 1 14 B -7.958 -7.173 15.838 1.00 0.00 ? 5 DA A P 10 +ATOM 5516 O OP1 . DA A 1 14 B -9.390 -7.468 16.057 1.00 0.00 ? 5 DA A OP1 10 +ATOM 5517 O OP2 . DA A 1 14 B -7.099 -8.157 15.146 1.00 0.00 ? 5 DA A OP2 10 +ATOM 5518 O "O5'" . DA A 1 14 B -7.849 -5.773 15.047 1.00 0.00 ? 5 DA A "O5'" 10 +ATOM 5519 C "C5'" . DA A 1 14 B -8.697 -4.685 15.378 1.00 0.00 ? 5 DA A "C5'" 10 +ATOM 5520 C "C4'" . DA A 1 14 B -8.490 -3.482 14.443 1.00 0.00 ? 5 DA A "C4'" 10 +ATOM 5521 O "O4'" . DA A 1 14 B -7.206 -2.893 14.626 1.00 0.00 ? 5 DA A "O4'" 10 +ATOM 5522 C "C3'" . DA A 1 14 B -8.641 -3.819 12.945 1.00 0.00 ? 5 DA A "C3'" 10 +ATOM 5523 O "O3'" . DA A 1 14 B -9.491 -2.877 12.317 1.00 0.00 ? 5 DA A "O3'" 10 +ATOM 5524 C "C2'" . DA A 1 14 B -7.198 -3.681 12.466 1.00 0.00 ? 5 DA A "C2'" 10 +ATOM 5525 C "C1'" . DA A 1 14 B -6.703 -2.540 13.355 1.00 0.00 ? 5 DA A "C1'" 10 +ATOM 5526 N N9 . DA A 1 14 B -5.229 -2.485 13.432 1.00 0.00 ? 5 DA A N9 10 +ATOM 5527 C C8 . DA A 1 14 B -4.336 -3.473 13.772 1.00 0.00 ? 5 DA A C8 10 +ATOM 5528 N N7 . DA A 1 14 B -3.086 -3.098 13.761 1.00 0.00 ? 5 DA A N7 10 +ATOM 5529 C C5 . DA A 1 14 B -3.163 -1.751 13.395 1.00 0.00 ? 5 DA A C5 10 +ATOM 5530 C C6 . DA A 1 14 B -2.227 -0.713 13.188 1.00 0.00 ? 5 DA A C6 10 +ATOM 5531 N N6 . DA A 1 14 B -0.922 -0.849 13.310 1.00 0.00 ? 5 DA A N6 10 +ATOM 5532 N N1 . DA A 1 14 B -2.624 0.513 12.832 1.00 0.00 ? 5 DA A N1 10 +ATOM 5533 C C2 . DA A 1 14 B -3.926 0.740 12.705 1.00 0.00 ? 5 DA A C2 10 +ATOM 5534 N N3 . DA A 1 14 B -4.913 -0.133 12.862 1.00 0.00 ? 5 DA A N3 10 +ATOM 5535 C C4 . DA A 1 14 B -4.465 -1.371 13.207 1.00 0.00 ? 5 DA A C4 10 +ATOM 5536 H "H5'" . DA A 1 14 B -8.513 -4.368 16.407 1.00 0.00 ? 5 DA A "H5'" 10 +ATOM 5537 H "H5''" . DA A 1 14 B -9.741 -4.992 15.291 1.00 0.00 ? 5 DA A "H5''" 10 +ATOM 5538 H "H4'" . DA A 1 14 B -9.235 -2.732 14.716 1.00 0.00 ? 5 DA A "H4'" 10 +ATOM 5539 H "H3'" . DA A 1 14 B -9.021 -4.838 12.809 1.00 0.00 ? 5 DA A "H3'" 10 +ATOM 5540 H "H2'" . DA A 1 14 B -6.680 -4.616 12.676 1.00 0.00 ? 5 DA A "H2'" 10 +ATOM 5541 H "H2''" . DA A 1 14 B -7.118 -3.443 11.406 1.00 0.00 ? 5 DA A "H2''" 10 +ATOM 5542 H "H1'" . DA A 1 14 B -7.135 -1.585 13.034 1.00 0.00 ? 5 DA A "H1'" 10 +ATOM 5543 H H8 . DA A 1 14 B -4.618 -4.483 14.025 1.00 0.00 ? 5 DA A H8 10 +ATOM 5544 H H61 . DA A 1 14 B -0.346 -0.041 13.121 1.00 0.00 ? 5 DA A H61 10 +ATOM 5545 H H62 . DA A 1 14 B -0.543 -1.719 13.643 1.00 0.00 ? 5 DA A H62 10 +ATOM 5546 H H2 . DA A 1 14 B -4.218 1.735 12.414 1.00 0.00 ? 5 DA A H2 10 +ATOM 5547 P P . DT A 1 15 B -9.947 -3.038 10.782 1.00 0.00 ? 6 DT A P 10 +ATOM 5548 O OP1 . DT A 1 15 B -11.339 -2.553 10.672 1.00 0.00 ? 6 DT A OP1 10 +ATOM 5549 O OP2 . DT A 1 15 B -9.602 -4.403 10.330 1.00 0.00 ? 6 DT A OP2 10 +ATOM 5550 O "O5'" . DT A 1 15 B -8.985 -1.996 10.023 1.00 0.00 ? 6 DT A "O5'" 10 +ATOM 5551 C "C5'" . DT A 1 15 B -9.225 -0.599 10.093 1.00 0.00 ? 6 DT A "C5'" 10 +ATOM 5552 C "C4'" . DT A 1 15 B -8.073 0.210 9.477 1.00 0.00 ? 6 DT A "C4'" 10 +ATOM 5553 O "O4'" . DT A 1 15 B -6.843 -0.071 10.128 1.00 0.00 ? 6 DT A "O4'" 10 +ATOM 5554 C "C3'" . DT A 1 15 B -7.825 -0.052 7.980 1.00 0.00 ? 6 DT A "C3'" 10 +ATOM 5555 O "O3'" . DT A 1 15 B -8.462 0.934 7.190 1.00 0.00 ? 6 DT A "O3'" 10 +ATOM 5556 C "C2'" . DT A 1 15 B -6.298 0.066 7.870 1.00 0.00 ? 6 DT A "C2'" 10 +ATOM 5557 C "C1'" . DT A 1 15 B -5.847 0.426 9.273 1.00 0.00 ? 6 DT A "C1'" 10 +ATOM 5558 N N1 . DT A 1 15 B -4.512 -0.147 9.543 1.00 0.00 ? 6 DT A N1 10 +ATOM 5559 C C2 . DT A 1 15 B -3.426 0.696 9.360 1.00 0.00 ? 6 DT A C2 10 +ATOM 5560 O O2 . DT A 1 15 B -3.515 1.869 9.031 1.00 0.00 ? 6 DT A O2 10 +ATOM 5561 N N3 . DT A 1 15 B -2.192 0.148 9.536 1.00 0.00 ? 6 DT A N3 10 +ATOM 5562 C C4 . DT A 1 15 B -1.919 -1.160 9.830 1.00 0.00 ? 6 DT A C4 10 +ATOM 5563 O O4 . DT A 1 15 B -0.744 -1.481 9.953 1.00 0.00 ? 6 DT A O4 10 +ATOM 5564 C C5 . DT A 1 15 B -3.097 -2.025 9.950 1.00 0.00 ? 6 DT A C5 10 +ATOM 5565 C C7 . DT A 1 15 B -2.949 -3.522 10.222 1.00 0.00 ? 6 DT A C7 10 +ATOM 5566 C C6 . DT A 1 15 B -4.342 -1.491 9.806 1.00 0.00 ? 6 DT A C6 10 +ATOM 5567 H "H5'" . DT A 1 15 B -9.329 -0.290 11.136 1.00 0.00 ? 6 DT A "H5'" 10 +ATOM 5568 H "H5''" . DT A 1 15 B -10.148 -0.356 9.562 1.00 0.00 ? 6 DT A "H5''" 10 +ATOM 5569 H "H4'" . DT A 1 15 B -8.294 1.271 9.619 1.00 0.00 ? 6 DT A "H4'" 10 +ATOM 5570 H "H3'" . DT A 1 15 B -8.153 -1.064 7.724 1.00 0.00 ? 6 DT A "H3'" 10 +ATOM 5571 H "H2'" . DT A 1 15 B -5.903 -0.896 7.543 1.00 0.00 ? 6 DT A "H2'" 10 +ATOM 5572 H "H2''" . DT A 1 15 B -5.918 0.858 7.227 1.00 0.00 ? 6 DT A "H2''" 10 +ATOM 5573 H "H1'" . DT A 1 15 B -5.864 1.515 9.355 1.00 0.00 ? 6 DT A "H1'" 10 +ATOM 5574 H H3 . DT A 1 15 B -1.417 0.785 9.427 1.00 0.00 ? 6 DT A H3 10 +ATOM 5575 H H71 . DT A 1 15 B -2.324 -3.977 9.451 1.00 0.00 ? 6 DT A H71 10 +ATOM 5576 H H72 . DT A 1 15 B -2.468 -3.671 11.189 1.00 0.00 ? 6 DT A H72 10 +ATOM 5577 H H73 . DT A 1 15 B -3.911 -4.039 10.236 1.00 0.00 ? 6 DT A H73 10 +ATOM 5578 H H6 . DT A 1 15 B -5.220 -2.121 9.877 1.00 0.00 ? 6 DT A H6 10 +ATOM 5579 P P . DC A 1 16 B -8.739 0.696 5.622 1.00 0.00 ? 7 DC A P 10 +ATOM 5580 O OP1 . DC A 1 16 B -9.995 -0.074 5.516 1.00 0.00 ? 7 DC A OP1 10 +ATOM 5581 O OP2 . DC A 1 16 B -7.514 0.156 4.998 1.00 0.00 ? 7 DC A OP2 10 +ATOM 5582 O "O5'" . DC A 1 16 B -9.025 2.165 5.007 1.00 0.00 ? 7 DC A "O5'" 10 +ATOM 5583 C "C5'" . DC A 1 16 B -8.456 3.361 5.524 1.00 0.00 ? 7 DC A "C5'" 10 +ATOM 5584 C "C4'" . DC A 1 16 B -6.952 3.578 5.275 1.00 0.00 ? 7 DC A "C4'" 10 +ATOM 5585 O "O4'" . DC A 1 16 B -6.148 2.638 5.964 1.00 0.00 ? 7 DC A "O4'" 10 +ATOM 5586 C "C3'" . DC A 1 16 B -6.502 3.487 3.811 1.00 0.00 ? 7 DC A "C3'" 10 +ATOM 5587 O "O3'" . DC A 1 16 B -6.461 4.775 3.228 1.00 0.00 ? 7 DC A "O3'" 10 +ATOM 5588 C "C2'" . DC A 1 16 B -5.095 2.897 3.960 1.00 0.00 ? 7 DC A "C2'" 10 +ATOM 5589 C "C1'" . DC A 1 16 B -4.844 2.757 5.461 1.00 0.00 ? 7 DC A "C1'" 10 +ATOM 5590 N N1 . DC A 1 16 B -3.885 1.665 5.725 1.00 0.00 ? 7 DC A N1 10 +ATOM 5591 C C2 . DC A 1 16 B -2.575 1.943 6.121 1.00 0.00 ? 7 DC A C2 10 +ATOM 5592 O O2 . DC A 1 16 B -2.147 3.090 6.179 1.00 0.00 ? 7 DC A O2 10 +ATOM 5593 N N3 . DC A 1 16 B -1.723 0.921 6.415 1.00 0.00 ? 7 DC A N3 10 +ATOM 5594 C C4 . DC A 1 16 B -2.168 -0.320 6.294 1.00 0.00 ? 7 DC A C4 10 +ATOM 5595 N N4 . DC A 1 16 B -1.338 -1.270 6.619 1.00 0.00 ? 7 DC A N4 10 +ATOM 5596 C C5 . DC A 1 16 B -3.437 -0.645 5.740 1.00 0.00 ? 7 DC A C5 10 +ATOM 5597 C C6 . DC A 1 16 B -4.252 0.390 5.452 1.00 0.00 ? 7 DC A C6 10 +ATOM 5598 H "H5'" . DC A 1 16 B -8.663 3.449 6.592 1.00 0.00 ? 7 DC A "H5'" 10 +ATOM 5599 H "H5''" . DC A 1 16 B -8.977 4.181 5.028 1.00 0.00 ? 7 DC A "H5''" 10 +ATOM 5600 H "H4'" . DC A 1 16 B -6.698 4.569 5.662 1.00 0.00 ? 7 DC A "H4'" 10 +ATOM 5601 H "H3'" . DC A 1 16 B -7.154 2.807 3.256 1.00 0.00 ? 7 DC A "H3'" 10 +ATOM 5602 H "H2'" . DC A 1 16 B -5.102 1.943 3.433 1.00 0.00 ? 7 DC A "H2'" 10 +ATOM 5603 H "H2''" . DC A 1 16 B -4.304 3.467 3.533 1.00 0.00 ? 7 DC A "H2''" 10 +ATOM 5604 H "H1'" . DC A 1 16 B -4.523 3.620 6.015 1.00 0.00 ? 7 DC A "H1'" 10 +ATOM 5605 H H41 . DC A 1 16 B -0.425 -0.943 6.897 1.00 0.00 ? 7 DC A H41 10 +ATOM 5606 H H42 . DC A 1 16 B -1.584 -2.234 6.518 1.00 0.00 ? 7 DC A H42 10 +ATOM 5607 H H5 . DC A 1 16 B -3.795 -1.640 5.561 1.00 0.00 ? 7 DC A H5 10 +ATOM 5608 H H6 . DC A 1 16 B -5.216 0.269 4.999 1.00 0.00 ? 7 DC A H6 10 +ATOM 5609 P P . DC A 1 17 B -6.011 5.000 1.700 1.00 0.00 ? 8 DC A P 10 +ATOM 5610 O OP1 . DC A 1 17 B -6.641 6.247 1.217 1.00 0.00 ? 8 DC A OP1 10 +ATOM 5611 O OP2 . DC A 1 17 B -6.205 3.737 0.957 1.00 0.00 ? 8 DC A OP2 10 +ATOM 5612 O "O5'" . DC A 1 17 B -4.426 5.258 1.819 1.00 0.00 ? 8 DC A "O5'" 10 +ATOM 5613 C "C5'" . DC A 1 17 B -3.907 6.395 2.490 1.00 0.00 ? 8 DC A "C5'" 10 +ATOM 5614 C "C4'" . DC A 1 17 B -2.370 6.439 2.407 1.00 0.00 ? 8 DC A "C4'" 10 +ATOM 5615 O "O4'" . DC A 1 17 B -1.791 5.356 3.136 1.00 0.00 ? 8 DC A "O4'" 10 +ATOM 5616 C "C3'" . DC A 1 17 B -1.865 6.356 0.952 1.00 0.00 ? 8 DC A "C3'" 10 +ATOM 5617 O "O3'" . DC A 1 17 B -0.752 7.213 0.788 1.00 0.00 ? 8 DC A "O3'" 10 +ATOM 5618 C "C2'" . DC A 1 17 B -1.419 4.900 0.911 1.00 0.00 ? 8 DC A "C2'" 10 +ATOM 5619 C "C1'" . DC A 1 17 B -0.827 4.742 2.308 1.00 0.00 ? 8 DC A "C1'" 10 +ATOM 5620 N N1 . DC A 1 17 B -0.702 3.299 2.670 1.00 0.00 ? 8 DC A N1 10 +ATOM 5621 C C2 . DC A 1 17 B 0.554 2.823 3.041 1.00 0.00 ? 8 DC A C2 10 +ATOM 5622 O O2 . DC A 1 17 B 1.535 3.553 3.034 1.00 0.00 ? 8 DC A O2 10 +ATOM 5623 N N3 . DC A 1 17 B 0.727 1.526 3.413 1.00 0.00 ? 8 DC A N3 10 +ATOM 5624 C C4 . DC A 1 17 B -0.329 0.734 3.441 1.00 0.00 ? 8 DC A C4 10 +ATOM 5625 N N4 . DC A 1 17 B -0.120 -0.506 3.781 1.00 0.00 ? 8 DC A N4 10 +ATOM 5626 C C5 . DC A 1 17 B -1.631 1.149 3.053 1.00 0.00 ? 8 DC A C5 10 +ATOM 5627 C C6 . DC A 1 17 B -1.780 2.435 2.662 1.00 0.00 ? 8 DC A C6 10 +ATOM 5628 H "H5'" . DC A 1 17 B -4.204 6.380 3.541 1.00 0.00 ? 8 DC A "H5'" 10 +ATOM 5629 H "H5''" . DC A 1 17 B -4.298 7.305 2.030 1.00 0.00 ? 8 DC A "H5''" 10 +ATOM 5630 H "H4'" . DC A 1 17 B -2.041 7.378 2.858 1.00 0.00 ? 8 DC A "H4'" 10 +ATOM 5631 H "H3'" . DC A 1 17 B -2.669 6.565 0.241 1.00 0.00 ? 8 DC A "H3'" 10 +ATOM 5632 H "H2'" . DC A 1 17 B -2.315 4.312 0.738 1.00 0.00 ? 8 DC A "H2'" 10 +ATOM 5633 H "H2''" . DC A 1 17 B -0.700 4.623 0.158 1.00 0.00 ? 8 DC A "H2''" 10 +ATOM 5634 H "H1'" . DC A 1 17 B 0.113 5.339 2.374 1.00 0.00 ? 8 DC A "H1'" 10 +ATOM 5635 H H41 . DC A 1 17 B 0.823 -0.746 4.041 1.00 0.00 ? 8 DC A H41 10 +ATOM 5636 H H42 . DC A 1 17 B -0.877 -1.160 3.793 1.00 0.00 ? 8 DC A H42 10 +ATOM 5637 H H5 . DC A 1 17 B -2.472 0.475 3.038 1.00 0.00 ? 8 DC A H5 10 +ATOM 5638 H H6 . DC A 1 17 B -2.768 2.723 2.319 1.00 0.00 ? 8 DC A H6 10 +ATOM 5639 P P . DT A 1 18 B -0.371 7.854 -0.634 1.00 0.00 ? 9 DT A P 10 +ATOM 5640 O OP1 . DT A 1 18 B 0.711 8.836 -0.414 1.00 0.00 ? 9 DT A OP1 10 +ATOM 5641 O OP2 . DT A 1 18 B -1.622 8.282 -1.296 1.00 0.00 ? 9 DT A OP2 10 +ATOM 5642 O "O5'" . DT A 1 18 B 0.247 6.629 -1.473 1.00 0.00 ? 9 DT A "O5'" 10 +ATOM 5643 C "C5'" . DT A 1 18 B -0.475 5.987 -2.511 1.00 0.00 ? 9 DT A "C5'" 10 +ATOM 5644 C "C4'" . DT A 1 18 B 0.458 5.005 -3.240 1.00 0.00 ? 9 DT A "C4'" 10 +ATOM 5645 O "O4'" . DT A 1 18 B 0.711 3.859 -2.428 1.00 0.00 ? 9 DT A "O4'" 10 +ATOM 5646 C "C3'" . DT A 1 18 B -0.150 4.479 -4.548 1.00 0.00 ? 9 DT A "C3'" 10 +ATOM 5647 O "O3'" . DT A 1 18 B 0.832 4.187 -5.521 1.00 0.00 ? 9 DT A "O3'" 10 +ATOM 5648 C "C2'" . DT A 1 18 B -0.829 3.196 -4.121 1.00 0.00 ? 9 DT A "C2'" 10 +ATOM 5649 C "C1'" . DT A 1 18 B 0.110 2.720 -3.017 1.00 0.00 ? 9 DT A "C1'" 10 +ATOM 5650 N N1 . DT A 1 18 B -0.471 1.871 -1.945 1.00 0.00 ? 9 DT A N1 10 +ATOM 5651 C C2 . DT A 1 18 B 0.407 0.969 -1.344 1.00 0.00 ? 9 DT A C2 10 +ATOM 5652 O O2 . DT A 1 18 B 1.589 0.852 -1.634 1.00 0.00 ? 9 DT A O2 10 +ATOM 5653 N N3 . DT A 1 18 B -0.118 0.134 -0.398 1.00 0.00 ? 9 DT A N3 10 +ATOM 5654 C C4 . DT A 1 18 B -1.422 0.109 0.016 1.00 0.00 ? 9 DT A C4 10 +ATOM 5655 O O4 . DT A 1 18 B -1.762 -0.804 0.760 1.00 0.00 ? 9 DT A O4 10 +ATOM 5656 C C5 . DT A 1 18 B -2.250 1.207 -0.491 1.00 0.00 ? 9 DT A C5 10 +ATOM 5657 C C7 . DT A 1 18 B -3.697 1.396 -0.030 1.00 0.00 ? 9 DT A C7 10 +ATOM 5658 C C6 . DT A 1 18 B -1.746 2.051 -1.435 1.00 0.00 ? 9 DT A C6 10 +ATOM 5659 H "H5'" . DT A 1 18 B -0.806 6.738 -3.232 1.00 0.00 ? 9 DT A "H5'" 10 +ATOM 5660 H "H5''" . DT A 1 18 B -1.349 5.465 -2.117 1.00 0.00 ? 9 DT A "H5''" 10 +ATOM 5661 H "H4'" . DT A 1 18 B 1.386 5.544 -3.456 1.00 0.00 ? 9 DT A "H4'" 10 +ATOM 5662 H "H3'" . DT A 1 18 B -0.910 5.158 -4.937 1.00 0.00 ? 9 DT A "H3'" 10 +ATOM 5663 H "H2'" . DT A 1 18 B -1.818 3.461 -3.821 1.00 0.00 ? 9 DT A "H2'" 10 +ATOM 5664 H "H2''" . DT A 1 18 B -0.902 2.472 -4.931 1.00 0.00 ? 9 DT A "H2''" 10 +ATOM 5665 H "H1'" . DT A 1 18 B 0.856 2.151 -3.565 1.00 0.00 ? 9 DT A "H1'" 10 +ATOM 5666 H H3 . DT A 1 18 B 0.533 -0.509 0.032 1.00 0.00 ? 9 DT A H3 10 +ATOM 5667 H H71 . DT A 1 18 B -3.926 2.448 0.163 1.00 0.00 ? 9 DT A H71 10 +ATOM 5668 H H72 . DT A 1 18 B -4.382 1.041 -0.802 1.00 0.00 ? 9 DT A H72 10 +ATOM 5669 H H73 . DT A 1 18 B -3.902 0.837 0.885 1.00 0.00 ? 9 DT A H73 10 +ATOM 5670 H H6 . DT A 1 18 B -2.354 2.894 -1.735 1.00 0.00 ? 9 DT A H6 10 +# diff --git a/lib/io/data/1qe7.cif b/lib/io/data/1qe7.cif new file mode 100644 index 000000000..8f20484bb --- /dev/null +++ b/lib/io/data/1qe7.cif @@ -0,0 +1,7144 @@ +data_1QE7 +# +_entry.id 1QE7 +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.392 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 1QE7 pdb_00001qe7 10.2210/pdb1qe7/pdb +RCSB RCSB009334 ? ? +WWPDB D_1000009334 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2000-02-02 +2 'Structure model' 1 1 2008-04-27 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2022-03-02 +5 'Structure model' 1 4 2024-05-22 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Data collection' +4 4 'Structure model' 'Database references' +5 4 'Structure model' 'Derived calculations' +6 4 'Structure model' 'Experimental preparation' +7 5 'Structure model' 'Data collection' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 4 'Structure model' database_2 +2 4 'Structure model' pdbx_nmr_exptl_sample_conditions +3 4 'Structure model' pdbx_nmr_software +4 4 'Structure model' pdbx_struct_assembly +5 4 'Structure model' pdbx_struct_oper_list +6 5 'Structure model' chem_comp_atom +7 5 'Structure model' chem_comp_bond +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 4 'Structure model' '_database_2.pdbx_DOI' +2 4 'Structure model' '_database_2.pdbx_database_accession' +3 4 'Structure model' '_pdbx_nmr_exptl_sample_conditions.pressure_units' +4 4 'Structure model' '_pdbx_nmr_software.name' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 1QE7 +_pdbx_database_status.recvd_initial_deposition_date 1999-07-13 +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.status_code_mr REL +_pdbx_database_status.SG_entry . +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_sf ? +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.status_code_nmr_data ? +_pdbx_database_status.methods_development_category ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Chary, K.V.R.' 1 +'Ghosh, M.' 2 +# +_citation.id primary +_citation.title 'Structural characterisation of a uracil containing hairpin DNA by NMR and molecular dynamics.' +_citation.journal_abbrev 'Nucleic Acids Res.' +_citation.journal_volume 27 +_citation.page_first 3938 +_citation.page_last 3944 +_citation.year 1999 +_citation.journal_id_ASTM NARHAD +_citation.country UK +_citation.journal_id_ISSN 0305-1048 +_citation.journal_id_CSD 0389 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed 10481034 +_citation.pdbx_database_id_DOI 10.1093/nar/27.19.3938 +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Ghosh, M.' 1 ? +primary 'Kumar, N.V.' 2 ? +primary 'Varshney, U.' 3 ? +primary 'Chary, K.V.' 4 ? +# +_entity.id 1 +_entity.type polymer +_entity.src_method syn +_entity.pdbx_description 'URACIL CONTAINING HAIRPIN 22-MER DNA' +_entity.formula_weight 6719.324 +_entity.pdbx_number_of_molecules 1 +_entity.pdbx_ec ? +_entity.pdbx_mutation ? +_entity.pdbx_fragment 'HAIRPIN DNA CONTAINING URACIL' +_entity.details 'BIOLOGICALLY RELEVANT SEQUENCE' +# +_entity_poly.entity_id 1 +_entity_poly.type polydeoxyribonucleotide +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code +;(DC)(DT)(DA)(DG)(DA)(DG)(DG)(DA)(DT)(DC)(DC)(DT)(DT)(DT)(DU)(DG)(DG)(DA)(DT)(DC) +(DC)(DT) +; +_entity_poly.pdbx_seq_one_letter_code_can CTAGAGGATCCTTTUGGATCCT +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 DC n +1 2 DT n +1 3 DA n +1 4 DG n +1 5 DA n +1 6 DG n +1 7 DG n +1 8 DA n +1 9 DT n +1 10 DC n +1 11 DC n +1 12 DT n +1 13 DT n +1 14 DT n +1 15 DU n +1 16 DG n +1 17 DG n +1 18 DA n +1 19 DT n +1 20 DC n +1 21 DC n +1 22 DT n +# +_pdbx_entity_src_syn.entity_id 1 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num ? +_pdbx_entity_src_syn.pdbx_end_seq_num ? +_pdbx_entity_src_syn.organism_scientific ? +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id ? +_pdbx_entity_src_syn.details 'CUSTOM MADE BY RANSOM HILL BIOSCIENCES, INC., RAMONA CA (USA)' +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +DA 'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.222 +DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.197 +DG 'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221 +DT 'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE" ? 'C10 H15 N2 O8 P' 322.208 +DU 'DNA linking' y "2'-DEOXYURIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O8 P' 308.182 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 DC 1 -3 ? ? ? A . n +A 1 2 DT 2 -2 ? ? ? A . n +A 1 3 DA 3 -1 ? ? ? A . n +A 1 4 DG 4 0 ? ? ? A . n +A 1 5 DA 5 1 1 DA A A . n +A 1 6 DG 6 2 2 DG G A . n +A 1 7 DG 7 3 3 DG G A . n +A 1 8 DA 8 4 4 DA A A . n +A 1 9 DT 9 5 5 DT T A . n +A 1 10 DC 10 6 6 DC C A . n +A 1 11 DC 11 7 7 DC C A . n +A 1 12 DT 12 8 8 DT T A . n +A 1 13 DT 13 9 9 DT T A . n +A 1 14 DT 14 1 1 DT T A B n +A 1 15 DU 15 2 2 DU U A B n +A 1 16 DG 16 3 3 DG G A B n +A 1 17 DG 17 4 4 DG G A B n +A 1 18 DA 18 5 5 DA A A B n +A 1 19 DT 19 6 6 DT T A B n +A 1 20 DC 20 7 7 DC C A B n +A 1 21 DC 21 8 8 DC C A B n +A 1 22 DT 22 9 9 DT T A B n +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 Y 1 A DA 1 ? P ? A DA 5 P +2 1 Y 1 A DA 1 ? OP1 ? A DA 5 OP1 +3 1 Y 1 A DA 1 ? OP2 ? A DA 5 OP2 +4 2 Y 1 A DA 1 ? P ? A DA 5 P +5 2 Y 1 A DA 1 ? OP1 ? A DA 5 OP1 +6 2 Y 1 A DA 1 ? OP2 ? A DA 5 OP2 +7 3 Y 1 A DA 1 ? P ? A DA 5 P +8 3 Y 1 A DA 1 ? OP1 ? A DA 5 OP1 +9 3 Y 1 A DA 1 ? OP2 ? A DA 5 OP2 +10 4 Y 1 A DA 1 ? P ? A DA 5 P +11 4 Y 1 A DA 1 ? OP1 ? A DA 5 OP1 +12 4 Y 1 A DA 1 ? OP2 ? A DA 5 OP2 +13 5 Y 1 A DA 1 ? P ? A DA 5 P +14 5 Y 1 A DA 1 ? OP1 ? A DA 5 OP1 +15 5 Y 1 A DA 1 ? OP2 ? A DA 5 OP2 +16 6 Y 1 A DA 1 ? P ? A DA 5 P +17 6 Y 1 A DA 1 ? OP1 ? A DA 5 OP1 +18 6 Y 1 A DA 1 ? OP2 ? A DA 5 OP2 +19 7 Y 1 A DA 1 ? P ? A DA 5 P +20 7 Y 1 A DA 1 ? OP1 ? A DA 5 OP1 +21 7 Y 1 A DA 1 ? OP2 ? A DA 5 OP2 +22 8 Y 1 A DA 1 ? P ? A DA 5 P +23 8 Y 1 A DA 1 ? OP1 ? A DA 5 OP1 +24 8 Y 1 A DA 1 ? OP2 ? A DA 5 OP2 +25 9 Y 1 A DA 1 ? P ? A DA 5 P +26 9 Y 1 A DA 1 ? OP1 ? A DA 5 OP1 +27 9 Y 1 A DA 1 ? OP2 ? A DA 5 OP2 +28 10 Y 1 A DA 1 ? P ? A DA 5 P +29 10 Y 1 A DA 1 ? OP1 ? A DA 5 OP1 +30 10 Y 1 A DA 1 ? OP2 ? A DA 5 OP2 +# +_cell.entry_id 1QE7 +_cell.length_a 1.000 +_cell.length_b 1.000 +_cell.length_c 1.000 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 90.00 +_cell.Z_PDB 1 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1QE7 +_symmetry.space_group_name_H-M 'P 1' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 1 +# +_exptl.entry_id 1QE7 +_exptl.method 'SOLUTION NMR' +_exptl.crystals_number ? +# +_database_PDB_matrix.entry_id 1QE7 +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_struct.entry_id 1QE7 +_struct.title 'SOLUTION STRUCTURE OF A URACIL CONTAINING HAIRPIN DNA' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1QE7 +_struct_keywords.pdbx_keywords DNA +_struct_keywords.text 'URACIL, HAIRPIN DNA, HAIRPIN LOOP, DOUBLE HELIX, DNA' +# +_struct_asym.id A +_struct_asym.pdbx_blank_PDB_chainid_flag N +_struct_asym.pdbx_modified N +_struct_asym.entity_id 1 +_struct_asym.details ? +# +_struct_ref.id 1 +_struct_ref.entity_id 1 +_struct_ref.db_name PDB +_struct_ref.db_code 1QE7 +_struct_ref.pdbx_db_accession 1QE7 +_struct_ref.pdbx_db_isoform ? +_struct_ref.pdbx_seq_one_letter_code ? +_struct_ref.pdbx_align_begin ? +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1QE7 +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 22 +_struct_ref_seq.pdbx_seq_align_end_ins_code B +_struct_ref_seq.pdbx_db_accession 1QE7 +_struct_ref_seq.db_align_beg -3 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 9 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg -3 +_struct_ref_seq.pdbx_auth_seq_align_end 9 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details monomeric +_pdbx_struct_assembly.oligomeric_count 1 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +_struct_biol.id 1 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +_struct_conn.pdbx_role +hydrog1 hydrog ? ? A DA 5 N1 ? ? ? 1_555 A DT 22 N3 ? B A DA 1 A DT 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog2 hydrog ? ? A DA 5 N6 ? ? ? 1_555 A DT 22 O4 ? B A DA 1 A DT 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog3 hydrog ? ? A DG 6 N1 ? ? ? 1_555 A DC 21 N3 ? B A DG 2 A DC 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog4 hydrog ? ? A DG 6 N2 ? ? ? 1_555 A DC 21 O2 ? B A DG 2 A DC 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog5 hydrog ? ? A DG 6 O6 ? ? ? 1_555 A DC 21 N4 ? B A DG 2 A DC 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog6 hydrog ? ? A DG 7 N1 ? ? ? 1_555 A DC 20 N3 ? B A DG 3 A DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog7 hydrog ? ? A DG 7 N2 ? ? ? 1_555 A DC 20 O2 ? B A DG 3 A DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog8 hydrog ? ? A DG 7 O6 ? ? ? 1_555 A DC 20 N4 ? B A DG 3 A DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog9 hydrog ? ? A DA 8 N1 ? ? ? 1_555 A DT 19 N3 ? B A DA 4 A DT 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog10 hydrog ? ? A DA 8 N6 ? ? ? 1_555 A DT 19 O4 ? B A DA 4 A DT 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog11 hydrog ? ? A DT 9 N3 ? ? ? 1_555 A DA 18 N1 ? B A DT 5 A DA 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog12 hydrog ? ? A DT 9 O4 ? ? ? 1_555 A DA 18 N6 ? B A DT 5 A DA 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog13 hydrog ? ? A DC 10 N3 ? ? ? 1_555 A DG 17 N1 ? B A DC 6 A DG 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog14 hydrog ? ? A DC 10 N4 ? ? ? 1_555 A DG 17 O6 ? B A DC 6 A DG 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog15 hydrog ? ? A DC 10 O2 ? ? ? 1_555 A DG 17 N2 ? B A DC 6 A DG 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog16 hydrog ? ? A DC 11 N3 ? ? ? 1_555 A DG 16 N1 ? B A DC 7 A DG 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog17 hydrog ? ? A DC 11 N4 ? ? ? 1_555 A DG 16 O6 ? B A DC 7 A DG 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog18 hydrog ? ? A DC 11 O2 ? ? ? 1_555 A DG 16 N2 ? B A DC 7 A DG 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog19 hydrog ? ? A DT 12 O2 ? ? ? 1_555 A DG 16 N2 ? B A DT 8 A DG 3 1_555 ? ? ? ? ? ? 'DT-DG MISPAIR' ? ? ? +# +_struct_conn_type.id hydrog +_struct_conn_type.criteria ? +_struct_conn_type.reference ? +# +loop_ +_pdbx_validate_rmsd_bond.id +_pdbx_validate_rmsd_bond.PDB_model_num +_pdbx_validate_rmsd_bond.auth_atom_id_1 +_pdbx_validate_rmsd_bond.auth_asym_id_1 +_pdbx_validate_rmsd_bond.auth_comp_id_1 +_pdbx_validate_rmsd_bond.auth_seq_id_1 +_pdbx_validate_rmsd_bond.PDB_ins_code_1 +_pdbx_validate_rmsd_bond.label_alt_id_1 +_pdbx_validate_rmsd_bond.auth_atom_id_2 +_pdbx_validate_rmsd_bond.auth_asym_id_2 +_pdbx_validate_rmsd_bond.auth_comp_id_2 +_pdbx_validate_rmsd_bond.auth_seq_id_2 +_pdbx_validate_rmsd_bond.PDB_ins_code_2 +_pdbx_validate_rmsd_bond.label_alt_id_2 +_pdbx_validate_rmsd_bond.bond_value +_pdbx_validate_rmsd_bond.bond_target_value +_pdbx_validate_rmsd_bond.bond_deviation +_pdbx_validate_rmsd_bond.bond_standard_deviation +_pdbx_validate_rmsd_bond.linker_flag +1 1 N1 A DU 2 B ? C6 A DU 2 B ? 1.452 1.375 0.077 0.009 N +2 2 C5 A DT 1 B ? C7 A DT 1 B ? 1.532 1.496 0.036 0.006 N +3 2 N1 A DU 2 B ? C6 A DU 2 B ? 1.453 1.375 0.078 0.009 N +4 3 N1 A DU 2 B ? C6 A DU 2 B ? 1.457 1.375 0.082 0.009 N +5 4 N1 A DU 2 B ? C6 A DU 2 B ? 1.454 1.375 0.079 0.009 N +6 5 N1 A DU 2 B ? C6 A DU 2 B ? 1.457 1.375 0.082 0.009 N +7 6 C5 A DT 1 B ? C7 A DT 1 B ? 1.532 1.496 0.036 0.006 N +8 6 N1 A DU 2 B ? C6 A DU 2 B ? 1.456 1.375 0.081 0.009 N +9 7 N1 A DU 2 B ? C6 A DU 2 B ? 1.453 1.375 0.078 0.009 N +10 8 N1 A DU 2 B ? C6 A DU 2 B ? 1.453 1.375 0.078 0.009 N +11 9 N1 A DU 2 B ? C6 A DU 2 B ? 1.454 1.375 0.079 0.009 N +12 10 C5 A DT 1 B ? C7 A DT 1 B ? 1.533 1.496 0.037 0.006 N +13 10 N1 A DU 2 B ? C6 A DU 2 B ? 1.457 1.375 0.082 0.009 N +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 112.19 108.30 3.89 0.30 N +2 1 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.67 117.00 -3.33 0.50 N +3 1 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.19 117.70 3.49 0.50 N +4 1 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 113.64 118.60 -4.96 0.60 N +5 1 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9 A DG 2 ? ? 110.86 108.30 2.56 0.30 N +6 1 C5 A DG 2 ? ? C6 A DG 2 ? ? N1 A DG 2 ? ? 114.51 111.50 3.01 0.50 N +7 1 C4 A DA 4 ? ? C5 A DA 4 ? ? C6 A DA 4 ? ? 114.00 117.00 -3.00 0.50 N +8 1 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.39 117.70 3.69 0.50 N +9 1 "C1'" A DT 5 ? ? "O4'" A DT 5 ? ? "C4'" A DT 5 ? ? 103.99 110.10 -6.11 1.00 N +10 1 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? "C2'" A DT 5 ? ? 100.23 105.90 -5.67 0.80 N +11 1 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 119.23 122.90 -3.67 0.60 N +12 1 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 111.34 108.30 3.04 0.30 N +13 1 C6 A DT 9 ? ? C5 A DT 9 ? ? C7 A DT 9 ? ? 116.94 122.90 -5.96 0.60 N +14 1 "O4'" A DT 1 B ? "C1'" A DT 1 B ? N1 A DT 1 B ? 110.83 108.30 2.53 0.30 N +15 1 N3 A DT 1 B ? C2 A DT 1 B ? O2 A DT 1 B ? 118.58 122.30 -3.72 0.60 N +16 1 N1 A DU 2 B ? C2 A DU 2 B ? N3 A DU 2 B ? 119.40 114.90 4.50 0.60 N +17 1 C5 A DU 2 B ? C6 A DU 2 B ? N1 A DU 2 B ? 119.54 122.70 -3.16 0.50 N +18 1 N3 A DU 2 B ? C2 A DU 2 B ? O2 A DU 2 B ? 116.99 122.20 -5.21 0.70 N +19 1 C2 A DU 2 B ? N1 A DU 2 B ? "C1'" A DU 2 B ? 127.04 117.70 9.34 1.20 N +20 1 "C3'" A DU 2 B ? "O3'" A DU 2 B ? P A DG 3 B ? 112.23 119.70 -7.47 1.20 Y +21 1 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 110.26 108.30 1.96 0.30 N +22 1 C5 A DG 3 B ? C6 A DG 3 B ? N1 A DG 3 B ? 114.53 111.50 3.03 0.50 N +23 1 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 111.94 108.30 3.64 0.30 N +24 1 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.23 117.70 3.53 0.50 N +25 1 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.91 118.60 -3.69 0.60 N +26 1 N3 A DT 6 B ? C2 A DT 6 B ? O2 A DT 6 B ? 118.53 122.30 -3.77 0.60 N +27 1 N3 A DC 8 B ? C2 A DC 8 B ? O2 A DC 8 B ? 117.61 121.90 -4.29 0.70 N +28 1 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.61 122.30 -3.69 0.60 N +29 1 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.59 122.90 -4.31 0.60 N +30 2 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 112.09 108.30 3.79 0.30 N +31 2 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.72 117.00 -3.28 0.50 N +32 2 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.15 117.70 3.45 0.50 N +33 2 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 113.79 118.60 -4.81 0.60 N +34 2 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9 A DG 2 ? ? 110.86 108.30 2.56 0.30 N +35 2 "O4'" A DG 3 ? ? "C1'" A DG 3 ? ? N9 A DG 3 ? ? 110.10 108.30 1.80 0.30 N +36 2 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.31 117.70 3.61 0.50 N +37 2 "C1'" A DT 5 ? ? "O4'" A DT 5 ? ? "C4'" A DT 5 ? ? 103.93 110.10 -6.17 1.00 N +38 2 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? "C2'" A DT 5 ? ? 100.20 105.90 -5.70 0.80 N +39 2 N3 A DT 5 ? ? C2 A DT 5 ? ? O2 A DT 5 ? ? 118.70 122.30 -3.60 0.60 N +40 2 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 119.13 122.90 -3.77 0.60 N +41 2 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 111.23 108.30 2.93 0.30 N +42 2 C6 A DT 9 ? ? C5 A DT 9 ? ? C7 A DT 9 ? ? 116.95 122.90 -5.95 0.60 N +43 2 "O4'" A DT 1 B ? "C1'" A DT 1 B ? N1 A DT 1 B ? 110.71 108.30 2.41 0.30 N +44 2 N3 A DT 1 B ? C2 A DT 1 B ? O2 A DT 1 B ? 118.61 122.30 -3.69 0.60 N +45 2 N1 A DU 2 B ? C2 A DU 2 B ? N3 A DU 2 B ? 119.46 114.90 4.56 0.60 N +46 2 N3 A DU 2 B ? C2 A DU 2 B ? O2 A DU 2 B ? 117.14 122.20 -5.06 0.70 N +47 2 C2 A DU 2 B ? N1 A DU 2 B ? "C1'" A DU 2 B ? 126.97 117.70 9.27 1.20 N +48 2 C5 A DG 3 B ? C6 A DG 3 B ? N1 A DG 3 B ? 114.58 111.50 3.08 0.50 N +49 2 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 111.88 108.30 3.58 0.30 N +50 2 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.27 117.70 3.57 0.50 N +51 2 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.88 118.60 -3.72 0.60 N +52 2 N3 A DT 6 B ? C2 A DT 6 B ? O2 A DT 6 B ? 118.55 122.30 -3.75 0.60 N +53 2 N3 A DC 8 B ? C2 A DC 8 B ? O2 A DC 8 B ? 117.67 121.90 -4.23 0.70 N +54 2 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.03 122.90 -4.87 0.60 N +55 3 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 112.17 108.30 3.87 0.30 N +56 3 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.69 117.00 -3.31 0.50 N +57 3 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.13 117.70 3.43 0.50 N +58 3 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 113.70 118.60 -4.90 0.60 N +59 3 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9 A DG 2 ? ? 111.94 108.30 3.64 0.30 N +60 3 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.48 117.70 3.78 0.50 N +61 3 "C1'" A DT 5 ? ? "O4'" A DT 5 ? ? "C4'" A DT 5 ? ? 104.09 110.10 -6.01 1.00 N +62 3 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? "C2'" A DT 5 ? ? 100.17 105.90 -5.73 0.80 N +63 3 N3 A DT 5 ? ? C2 A DT 5 ? ? O2 A DT 5 ? ? 118.69 122.30 -3.61 0.60 N +64 3 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 119.23 122.90 -3.67 0.60 N +65 3 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 111.36 108.30 3.06 0.30 N +66 3 C6 A DT 9 ? ? C5 A DT 9 ? ? C7 A DT 9 ? ? 116.90 122.90 -6.00 0.60 N +67 3 "O4'" A DT 1 B ? "C1'" A DT 1 B ? N1 A DT 1 B ? 111.55 108.30 3.25 0.30 N +68 3 N1 A DU 2 B ? C2 A DU 2 B ? N3 A DU 2 B ? 119.29 114.90 4.39 0.60 N +69 3 C5 A DU 2 B ? C6 A DU 2 B ? N1 A DU 2 B ? 119.12 122.70 -3.58 0.50 N +70 3 N3 A DU 2 B ? C2 A DU 2 B ? O2 A DU 2 B ? 116.99 122.20 -5.21 0.70 N +71 3 C2 A DU 2 B ? N1 A DU 2 B ? "C1'" A DU 2 B ? 126.29 117.70 8.59 1.20 N +72 3 C5 A DG 3 B ? C6 A DG 3 B ? N1 A DG 3 B ? 114.53 111.50 3.03 0.50 N +73 3 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 111.92 108.30 3.62 0.30 N +74 3 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.33 117.70 3.63 0.50 N +75 3 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.96 118.60 -3.64 0.60 N +76 3 N3 A DT 6 B ? C2 A DT 6 B ? O2 A DT 6 B ? 118.45 122.30 -3.85 0.60 N +77 3 "O4'" A DC 8 B ? "C1'" A DC 8 B ? N1 A DC 8 B ? 110.10 108.30 1.80 0.30 N +78 3 N3 A DC 8 B ? C2 A DC 8 B ? O2 A DC 8 B ? 117.62 121.90 -4.28 0.70 N +79 3 N3 A DT 9 B ? C2 A DT 9 B ? O2 A DT 9 B ? 118.66 122.30 -3.64 0.60 N +80 3 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.37 122.90 -4.53 0.60 N +81 4 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 111.91 108.30 3.61 0.30 N +82 4 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.76 117.00 -3.24 0.50 N +83 4 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.19 117.70 3.49 0.50 N +84 4 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 113.92 118.60 -4.68 0.60 N +85 4 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9 A DG 2 ? ? 111.65 108.30 3.35 0.30 N +86 4 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.39 117.70 3.69 0.50 N +87 4 "C1'" A DT 5 ? ? "O4'" A DT 5 ? ? "C4'" A DT 5 ? ? 104.07 110.10 -6.03 1.00 N +88 4 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? "C2'" A DT 5 ? ? 100.26 105.90 -5.64 0.80 N +89 4 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 119.21 122.90 -3.69 0.60 N +90 4 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 111.26 108.30 2.96 0.30 N +91 4 C6 A DT 9 ? ? C5 A DT 9 ? ? C7 A DT 9 ? ? 116.97 122.90 -5.93 0.60 N +92 4 "O4'" A DT 1 B ? "C1'" A DT 1 B ? N1 A DT 1 B ? 110.67 108.30 2.37 0.30 N +93 4 N3 A DT 1 B ? C2 A DT 1 B ? O2 A DT 1 B ? 118.65 122.30 -3.65 0.60 N +94 4 N1 A DU 2 B ? C2 A DU 2 B ? N3 A DU 2 B ? 119.47 114.90 4.57 0.60 N +95 4 N3 A DU 2 B ? C2 A DU 2 B ? O2 A DU 2 B ? 117.16 122.20 -5.04 0.70 N +96 4 C2 A DU 2 B ? N1 A DU 2 B ? "C1'" A DU 2 B ? 126.97 117.70 9.27 1.20 N +97 4 C5 A DG 3 B ? C6 A DG 3 B ? N1 A DG 3 B ? 114.56 111.50 3.06 0.50 N +98 4 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 111.90 108.30 3.60 0.30 N +99 4 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.27 117.70 3.57 0.50 N +100 4 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.96 118.60 -3.64 0.60 N +101 4 N3 A DT 6 B ? C2 A DT 6 B ? O2 A DT 6 B ? 118.52 122.30 -3.78 0.60 N +102 4 N3 A DC 8 B ? C2 A DC 8 B ? O2 A DC 8 B ? 117.63 121.90 -4.27 0.70 N +103 4 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.09 122.90 -4.81 0.60 N +104 5 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 111.87 108.30 3.57 0.30 N +105 5 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.73 117.00 -3.27 0.50 N +106 5 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.23 117.70 3.53 0.50 N +107 5 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 113.90 118.60 -4.70 0.60 N +108 5 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9 A DG 2 ? ? 111.72 108.30 3.42 0.30 N +109 5 C5 A DG 2 ? ? C6 A DG 2 ? ? N1 A DG 2 ? ? 114.52 111.50 3.02 0.50 N +110 5 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.39 117.70 3.69 0.50 N +111 5 "C1'" A DT 5 ? ? "O4'" A DT 5 ? ? "C4'" A DT 5 ? ? 104.01 110.10 -6.09 1.00 N +112 5 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? "C2'" A DT 5 ? ? 100.25 105.90 -5.65 0.80 N +113 5 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 119.19 122.90 -3.71 0.60 N +114 5 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 111.34 108.30 3.04 0.30 N +115 5 C6 A DT 9 ? ? C5 A DT 9 ? ? C7 A DT 9 ? ? 116.90 122.90 -6.00 0.60 N +116 5 "O4'" A DT 1 B ? "C1'" A DT 1 B ? N1 A DT 1 B ? 111.56 108.30 3.26 0.30 N +117 5 N1 A DU 2 B ? C2 A DU 2 B ? N3 A DU 2 B ? 119.27 114.90 4.37 0.60 N +118 5 C5 A DU 2 B ? C6 A DU 2 B ? N1 A DU 2 B ? 119.11 122.70 -3.59 0.50 N +119 5 N3 A DU 2 B ? C2 A DU 2 B ? O2 A DU 2 B ? 117.02 122.20 -5.18 0.70 N +120 5 C2 A DU 2 B ? N1 A DU 2 B ? "C1'" A DU 2 B ? 126.30 117.70 8.60 1.20 N +121 5 C5 A DG 3 B ? C6 A DG 3 B ? N1 A DG 3 B ? 114.59 111.50 3.09 0.50 N +122 5 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 111.91 108.30 3.61 0.30 N +123 5 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.30 117.70 3.60 0.50 N +124 5 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.88 118.60 -3.72 0.60 N +125 5 N3 A DT 6 B ? C2 A DT 6 B ? O2 A DT 6 B ? 118.45 122.30 -3.85 0.60 N +126 5 N3 A DC 8 B ? C2 A DC 8 B ? O2 A DC 8 B ? 117.66 121.90 -4.24 0.70 N +127 5 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.11 122.90 -4.79 0.60 N +128 6 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 111.88 108.30 3.58 0.30 N +129 6 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.71 117.00 -3.29 0.50 N +130 6 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.27 117.70 3.57 0.50 N +131 6 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 113.85 118.60 -4.75 0.60 N +132 6 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9 A DG 2 ? ? 111.75 108.30 3.45 0.30 N +133 6 C5 A DG 2 ? ? C6 A DG 2 ? ? N1 A DG 2 ? ? 114.51 111.50 3.01 0.50 N +134 6 "O4'" A DA 4 ? ? "C1'" A DA 4 ? ? N9 A DA 4 ? ? 110.89 108.30 2.59 0.30 N +135 6 C4 A DA 4 ? ? C5 A DA 4 ? ? C6 A DA 4 ? ? 113.94 117.00 -3.06 0.50 N +136 6 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.34 117.70 3.64 0.50 N +137 6 N1 A DA 4 ? ? C6 A DA 4 ? ? N6 A DA 4 ? ? 114.73 118.60 -3.87 0.60 N +138 6 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? "C2'" A DT 5 ? ? 100.34 105.90 -5.56 0.80 N +139 6 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 119.13 122.90 -3.77 0.60 N +140 6 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 111.96 108.30 3.66 0.30 N +141 6 C6 A DT 9 ? ? C5 A DT 9 ? ? C7 A DT 9 ? ? 117.06 122.90 -5.84 0.60 N +142 6 "O4'" A DT 1 B ? "C1'" A DT 1 B ? N1 A DT 1 B ? 111.47 108.30 3.17 0.30 N +143 6 N1 A DU 2 B ? C2 A DU 2 B ? N3 A DU 2 B ? 119.30 114.90 4.40 0.60 N +144 6 C5 A DU 2 B ? C6 A DU 2 B ? N1 A DU 2 B ? 119.11 122.70 -3.59 0.50 N +145 6 N3 A DU 2 B ? C2 A DU 2 B ? O2 A DU 2 B ? 117.01 122.20 -5.19 0.70 N +146 6 C2 A DU 2 B ? N1 A DU 2 B ? "C1'" A DU 2 B ? 126.26 117.70 8.56 1.20 N +147 6 C5 A DG 3 B ? C6 A DG 3 B ? N1 A DG 3 B ? 114.52 111.50 3.02 0.50 N +148 6 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 112.00 108.30 3.70 0.30 N +149 6 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.32 117.70 3.62 0.50 N +150 6 N3 A DT 6 B ? C2 A DT 6 B ? O2 A DT 6 B ? 118.48 122.30 -3.82 0.60 N +151 6 N3 A DC 8 B ? C2 A DC 8 B ? O2 A DC 8 B ? 117.67 121.90 -4.23 0.70 N +152 6 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.14 122.90 -4.76 0.60 N +153 7 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 111.88 108.30 3.58 0.30 N +154 7 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.78 117.00 -3.22 0.50 N +155 7 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.18 117.70 3.48 0.50 N +156 7 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 113.88 118.60 -4.72 0.60 N +157 7 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9 A DG 2 ? ? 111.71 108.30 3.41 0.30 N +158 7 C4 A DA 4 ? ? C5 A DA 4 ? ? C6 A DA 4 ? ? 113.99 117.00 -3.01 0.50 N +159 7 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.52 117.70 3.82 0.50 N +160 7 "C1'" A DT 5 ? ? "O4'" A DT 5 ? ? "C4'" A DT 5 ? ? 104.01 110.10 -6.09 1.00 N +161 7 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? "C2'" A DT 5 ? ? 100.23 105.90 -5.67 0.80 N +162 7 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 119.21 122.90 -3.69 0.60 N +163 7 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 111.16 108.30 2.86 0.30 N +164 7 C6 A DT 9 ? ? C5 A DT 9 ? ? C7 A DT 9 ? ? 116.92 122.90 -5.98 0.60 N +165 7 "O4'" A DT 1 B ? "C1'" A DT 1 B ? N1 A DT 1 B ? 110.69 108.30 2.39 0.30 N +166 7 N3 A DT 1 B ? C2 A DT 1 B ? O2 A DT 1 B ? 118.54 122.30 -3.76 0.60 N +167 7 N1 A DU 2 B ? C2 A DU 2 B ? N3 A DU 2 B ? 119.48 114.90 4.58 0.60 N +168 7 N3 A DU 2 B ? C2 A DU 2 B ? O2 A DU 2 B ? 117.16 122.20 -5.04 0.70 N +169 7 C2 A DU 2 B ? N1 A DU 2 B ? "C1'" A DU 2 B ? 126.97 117.70 9.27 1.20 N +170 7 C5 A DG 3 B ? C6 A DG 3 B ? N1 A DG 3 B ? 114.56 111.50 3.06 0.50 N +171 7 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 111.92 108.30 3.62 0.30 N +172 7 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.21 117.70 3.51 0.50 N +173 7 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.82 118.60 -3.78 0.60 N +174 7 N3 A DT 6 B ? C2 A DT 6 B ? O2 A DT 6 B ? 118.33 122.30 -3.97 0.60 N +175 7 C6 A DT 6 B ? C5 A DT 6 B ? C7 A DT 6 B ? 118.95 122.90 -3.95 0.60 N +176 7 "O4'" A DC 7 B ? "C1'" A DC 7 B ? N1 A DC 7 B ? 110.50 108.30 2.20 0.30 N +177 7 N3 A DC 8 B ? C2 A DC 8 B ? O2 A DC 8 B ? 117.56 121.90 -4.34 0.70 N +178 7 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.15 122.90 -4.75 0.60 N +179 8 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 111.89 108.30 3.59 0.30 N +180 8 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.74 117.00 -3.26 0.50 N +181 8 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.16 117.70 3.46 0.50 N +182 8 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 113.94 118.60 -4.66 0.60 N +183 8 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9 A DG 2 ? ? 111.66 108.30 3.36 0.30 N +184 8 C5 A DG 2 ? ? C6 A DG 2 ? ? N1 A DG 2 ? ? 114.53 111.50 3.03 0.50 N +185 8 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.42 117.70 3.72 0.50 N +186 8 "C1'" A DT 5 ? ? "O4'" A DT 5 ? ? "C4'" A DT 5 ? ? 104.04 110.10 -6.06 1.00 N +187 8 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? "C2'" A DT 5 ? ? 100.26 105.90 -5.64 0.80 N +188 8 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 119.22 122.90 -3.68 0.60 N +189 8 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 111.33 108.30 3.03 0.30 N +190 8 C6 A DT 9 ? ? C5 A DT 9 ? ? C7 A DT 9 ? ? 116.94 122.90 -5.96 0.60 N +191 8 "O4'" A DT 1 B ? "C1'" A DT 1 B ? N1 A DT 1 B ? 110.83 108.30 2.53 0.30 N +192 8 N3 A DT 1 B ? C2 A DT 1 B ? O2 A DT 1 B ? 118.54 122.30 -3.76 0.60 N +193 8 N1 A DU 2 B ? C2 A DU 2 B ? N3 A DU 2 B ? 119.46 114.90 4.56 0.60 N +194 8 C5 A DU 2 B ? C6 A DU 2 B ? N1 A DU 2 B ? 119.53 122.70 -3.17 0.50 N +195 8 N3 A DU 2 B ? C2 A DU 2 B ? O2 A DU 2 B ? 116.92 122.20 -5.28 0.70 N +196 8 C2 A DU 2 B ? N1 A DU 2 B ? "C1'" A DU 2 B ? 127.06 117.70 9.36 1.20 N +197 8 "C3'" A DU 2 B ? "O3'" A DU 2 B ? P A DG 3 B ? 112.20 119.70 -7.50 1.20 Y +198 8 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 110.23 108.30 1.93 0.30 N +199 8 C5 A DG 3 B ? C6 A DG 3 B ? N1 A DG 3 B ? 114.52 111.50 3.02 0.50 N +200 8 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 111.95 108.30 3.65 0.30 N +201 8 C4 A DA 5 B ? C5 A DA 5 B ? C6 A DA 5 B ? 113.98 117.00 -3.02 0.50 N +202 8 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.28 117.70 3.58 0.50 N +203 8 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 115.00 118.60 -3.60 0.60 N +204 8 N3 A DT 6 B ? C2 A DT 6 B ? O2 A DT 6 B ? 118.50 122.30 -3.80 0.60 N +205 8 N3 A DC 8 B ? C2 A DC 8 B ? O2 A DC 8 B ? 117.64 121.90 -4.26 0.70 N +206 8 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.09 122.90 -4.81 0.60 N +207 9 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 111.91 108.30 3.61 0.30 N +208 9 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.79 117.00 -3.21 0.50 N +209 9 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.20 117.70 3.50 0.50 N +210 9 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 113.87 118.60 -4.73 0.60 N +211 9 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9 A DG 2 ? ? 111.71 108.30 3.41 0.30 N +212 9 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.39 117.70 3.69 0.50 N +213 9 "C1'" A DT 5 ? ? "O4'" A DT 5 ? ? "C4'" A DT 5 ? ? 104.02 110.10 -6.08 1.00 N +214 9 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? "C2'" A DT 5 ? ? 100.23 105.90 -5.67 0.80 N +215 9 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 119.15 122.90 -3.75 0.60 N +216 9 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 111.51 108.30 3.21 0.30 N +217 9 C6 A DT 9 ? ? C5 A DT 9 ? ? C7 A DT 9 ? ? 116.89 122.90 -6.01 0.60 N +218 9 "O4'" A DT 1 B ? "C1'" A DT 1 B ? N1 A DT 1 B ? 111.53 108.30 3.23 0.30 N +219 9 N1 A DU 2 B ? C2 A DU 2 B ? N3 A DU 2 B ? 119.22 114.90 4.32 0.60 N +220 9 C5 A DU 2 B ? C6 A DU 2 B ? N1 A DU 2 B ? 119.00 122.70 -3.70 0.50 N +221 9 N3 A DU 2 B ? C2 A DU 2 B ? O2 A DU 2 B ? 116.92 122.20 -5.28 0.70 N +222 9 C2 A DU 2 B ? N1 A DU 2 B ? "C1'" A DU 2 B ? 126.41 117.70 8.71 1.20 N +223 9 "O4'" A DG 3 B ? "C1'" A DG 3 B ? N9 A DG 3 B ? 110.40 108.30 2.10 0.30 N +224 9 C5 A DG 3 B ? C6 A DG 3 B ? N1 A DG 3 B ? 114.57 111.50 3.07 0.50 N +225 9 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 111.98 108.30 3.68 0.30 N +226 9 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.28 117.70 3.58 0.50 N +227 9 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.91 118.60 -3.69 0.60 N +228 9 N3 A DT 6 B ? C2 A DT 6 B ? O2 A DT 6 B ? 118.50 122.30 -3.80 0.60 N +229 9 N3 A DC 8 B ? C2 A DC 8 B ? O2 A DC 8 B ? 117.68 121.90 -4.22 0.70 N +230 9 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.12 122.90 -4.78 0.60 N +231 10 "O4'" A DA 1 ? ? "C1'" A DA 1 ? ? N9 A DA 1 ? ? 111.82 108.30 3.52 0.30 N +232 10 C4 A DA 1 ? ? C5 A DA 1 ? ? C6 A DA 1 ? ? 113.76 117.00 -3.24 0.50 N +233 10 C5 A DA 1 ? ? C6 A DA 1 ? ? N1 A DA 1 ? ? 121.21 117.70 3.51 0.50 N +234 10 N1 A DA 1 ? ? C6 A DA 1 ? ? N6 A DA 1 ? ? 113.89 118.60 -4.71 0.60 N +235 10 "O4'" A DG 2 ? ? "C1'" A DG 2 ? ? N9 A DG 2 ? ? 111.71 108.30 3.41 0.30 N +236 10 C5 A DA 4 ? ? C6 A DA 4 ? ? N1 A DA 4 ? ? 121.46 117.70 3.76 0.50 N +237 10 "C1'" A DT 5 ? ? "O4'" A DT 5 ? ? "C4'" A DT 5 ? ? 104.04 110.10 -6.06 1.00 N +238 10 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? "C2'" A DT 5 ? ? 100.23 105.90 -5.67 0.80 N +239 10 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 119.18 122.90 -3.72 0.60 N +240 10 "O4'" A DC 7 ? ? "C1'" A DC 7 ? ? N1 A DC 7 ? ? 111.93 108.30 3.63 0.30 N +241 10 C6 A DT 9 ? ? C5 A DT 9 ? ? C7 A DT 9 ? ? 117.06 122.90 -5.84 0.60 N +242 10 "O4'" A DT 1 B ? "C1'" A DT 1 B ? N1 A DT 1 B ? 111.44 108.30 3.14 0.30 N +243 10 N1 A DU 2 B ? C2 A DU 2 B ? N3 A DU 2 B ? 119.27 114.90 4.37 0.60 N +244 10 C5 A DU 2 B ? C6 A DU 2 B ? N1 A DU 2 B ? 119.09 122.70 -3.61 0.50 N +245 10 N3 A DU 2 B ? C2 A DU 2 B ? O2 A DU 2 B ? 117.07 122.20 -5.13 0.70 N +246 10 C2 A DU 2 B ? N1 A DU 2 B ? "C1'" A DU 2 B ? 126.23 117.70 8.53 1.20 N +247 10 C5 A DG 3 B ? C6 A DG 3 B ? N1 A DG 3 B ? 114.57 111.50 3.07 0.50 N +248 10 "O4'" A DG 4 B ? "C1'" A DG 4 B ? N9 A DG 4 B ? 111.92 108.30 3.62 0.30 N +249 10 C4 A DA 5 B ? C5 A DA 5 B ? C6 A DA 5 B ? 113.98 117.00 -3.02 0.50 N +250 10 C5 A DA 5 B ? C6 A DA 5 B ? N1 A DA 5 B ? 121.28 117.70 3.58 0.50 N +251 10 N1 A DA 5 B ? C6 A DA 5 B ? N6 A DA 5 B ? 114.95 118.60 -3.65 0.60 N +252 10 N3 A DT 6 B ? C2 A DT 6 B ? O2 A DT 6 B ? 118.46 122.30 -3.84 0.60 N +253 10 N3 A DC 8 B ? C2 A DC 8 B ? O2 A DC 8 B ? 117.64 121.90 -4.26 0.70 N +254 10 C6 A DT 9 B ? C5 A DT 9 B ? C7 A DT 9 B ? 118.11 122.90 -4.79 0.60 N +# +loop_ +_pdbx_validate_planes.id +_pdbx_validate_planes.PDB_model_num +_pdbx_validate_planes.auth_comp_id +_pdbx_validate_planes.auth_asym_id +_pdbx_validate_planes.auth_seq_id +_pdbx_validate_planes.PDB_ins_code +_pdbx_validate_planes.label_alt_id +_pdbx_validate_planes.rmsd +_pdbx_validate_planes.type +1 1 DC A 7 ? ? 0.081 'SIDE CHAIN' +2 1 DT A 8 ? ? 0.096 'SIDE CHAIN' +3 1 DT A 9 ? ? 0.094 'SIDE CHAIN' +4 1 DT A 1 B ? 0.148 'SIDE CHAIN' +5 1 DU A 2 B ? 0.209 'SIDE CHAIN' +6 1 DG A 3 B ? 0.071 'SIDE CHAIN' +7 2 DC A 7 ? ? 0.083 'SIDE CHAIN' +8 2 DT A 8 ? ? 0.099 'SIDE CHAIN' +9 2 DT A 9 ? ? 0.093 'SIDE CHAIN' +10 2 DT A 1 B ? 0.134 'SIDE CHAIN' +11 2 DU A 2 B ? 0.201 'SIDE CHAIN' +12 2 DG A 3 B ? 0.058 'SIDE CHAIN' +13 3 DC A 7 ? ? 0.073 'SIDE CHAIN' +14 3 DT A 8 ? ? 0.090 'SIDE CHAIN' +15 3 DT A 9 ? ? 0.092 'SIDE CHAIN' +16 3 DT A 1 B ? 0.159 'SIDE CHAIN' +17 3 DU A 2 B ? 0.219 'SIDE CHAIN' +18 3 DG A 3 B ? 0.058 'SIDE CHAIN' +19 4 DC A 7 ? ? 0.083 'SIDE CHAIN' +20 4 DT A 8 ? ? 0.100 'SIDE CHAIN' +21 4 DT A 9 ? ? 0.093 'SIDE CHAIN' +22 4 DT A 1 B ? 0.134 'SIDE CHAIN' +23 4 DU A 2 B ? 0.201 'SIDE CHAIN' +24 4 DG A 3 B ? 0.057 'SIDE CHAIN' +25 5 DC A 7 ? ? 0.074 'SIDE CHAIN' +26 5 DT A 8 ? ? 0.089 'SIDE CHAIN' +27 5 DT A 9 ? ? 0.092 'SIDE CHAIN' +28 5 DT A 1 B ? 0.159 'SIDE CHAIN' +29 5 DU A 2 B ? 0.219 'SIDE CHAIN' +30 5 DG A 3 B ? 0.057 'SIDE CHAIN' +31 6 DC A 7 ? ? 0.075 'SIDE CHAIN' +32 6 DT A 9 ? ? 0.081 'SIDE CHAIN' +33 6 DT A 1 B ? 0.158 'SIDE CHAIN' +34 6 DU A 2 B ? 0.223 'SIDE CHAIN' +35 6 DG A 3 B ? 0.055 'SIDE CHAIN' +36 7 DC A 7 ? ? 0.085 'SIDE CHAIN' +37 7 DT A 8 ? ? 0.101 'SIDE CHAIN' +38 7 DT A 9 ? ? 0.093 'SIDE CHAIN' +39 7 DT A 1 B ? 0.133 'SIDE CHAIN' +40 7 DU A 2 B ? 0.201 'SIDE CHAIN' +41 7 DG A 3 B ? 0.056 'SIDE CHAIN' +42 8 DC A 7 ? ? 0.081 'SIDE CHAIN' +43 8 DT A 8 ? ? 0.097 'SIDE CHAIN' +44 8 DT A 9 ? ? 0.094 'SIDE CHAIN' +45 8 DT A 1 B ? 0.148 'SIDE CHAIN' +46 8 DU A 2 B ? 0.209 'SIDE CHAIN' +47 8 DG A 3 B ? 0.070 'SIDE CHAIN' +48 9 DC A 7 ? ? 0.070 'SIDE CHAIN' +49 9 DT A 8 ? ? 0.087 'SIDE CHAIN' +50 9 DT A 9 ? ? 0.092 'SIDE CHAIN' +51 9 DT A 1 B ? 0.170 'SIDE CHAIN' +52 9 DU A 2 B ? 0.219 'SIDE CHAIN' +53 9 DG A 3 B ? 0.072 'SIDE CHAIN' +54 10 DC A 7 ? ? 0.076 'SIDE CHAIN' +55 10 DT A 9 ? ? 0.081 'SIDE CHAIN' +56 10 DT A 1 B ? 0.158 'SIDE CHAIN' +57 10 DU A 2 B ? 0.223 'SIDE CHAIN' +58 10 DG A 3 B ? 0.055 'SIDE CHAIN' +# +_pdbx_nmr_ensemble.entry_id 1QE7 +_pdbx_nmr_ensemble.conformers_calculated_total_number 200 +_pdbx_nmr_ensemble.conformers_submitted_total_number 10 +_pdbx_nmr_ensemble.conformer_selection_criteria +;STRUCTURES WITH ACCEPTABLE COVALENT GEOMETRY,STRUCTURES WITH FAVORABLE NON- BOND ENERGY, STRUCTURES WITH THE LEAST RESTRAINT VIOLATIONS,STRUCTURES WITH THE LOWEST ENERGY +; +_pdbx_nmr_ensemble.average_constraints_per_residue ? +_pdbx_nmr_ensemble.average_constraint_violations_per_residue ? +_pdbx_nmr_ensemble.maximum_distance_constraint_violation ? +_pdbx_nmr_ensemble.average_distance_constraint_violation ? +_pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation ? +_pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ? +_pdbx_nmr_ensemble.distance_constraint_violation_method ? +_pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation ? +_pdbx_nmr_ensemble.average_torsion_angle_constraint_violation ? +_pdbx_nmr_ensemble.torsion_angle_constraint_violation_method ? +# +_pdbx_nmr_representative.entry_id 1QE7 +_pdbx_nmr_representative.conformer_id 1 +_pdbx_nmr_representative.selection_criteria 'zero violations and lowest energy' +# +loop_ +_pdbx_nmr_sample_details.solution_id +_pdbx_nmr_sample_details.contents +_pdbx_nmr_sample_details.solvent_system +1 '5 MM OLIGO; NO BUFFER; PH = 7.0, TEMP = 305 K; 99% D2O' ? +2 '5 MM OLIGO; NO BUFFER; PH = 7.0, TEMP = 305 K; 90% H20 +10% D2O' ? +# +loop_ +_pdbx_nmr_exptl_sample_conditions.conditions_id +_pdbx_nmr_exptl_sample_conditions.temperature +_pdbx_nmr_exptl_sample_conditions.pressure +_pdbx_nmr_exptl_sample_conditions.pH +_pdbx_nmr_exptl_sample_conditions.ionic_strength +_pdbx_nmr_exptl_sample_conditions.pressure_units +_pdbx_nmr_exptl_sample_conditions.temperature_units +1 305 1 7.0 ? atm K +2 295 1 7.0 ? atm K +# +loop_ +_pdbx_nmr_exptl.experiment_id +_pdbx_nmr_exptl.conditions_id +_pdbx_nmr_exptl.type +_pdbx_nmr_exptl.solution_id +1 1 '2D NOESY' 1 +2 1 E-COSY 1 +3 2 '2D NOESY' 2 +# +_pdbx_nmr_details.entry_id 1QE7 +_pdbx_nmr_details.text 'THIS STRUCTURE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR TECHNIQUES' +# +_pdbx_nmr_refine.entry_id 1QE7 +_pdbx_nmr_refine.method 'RESTRAINED MOLECULAR DYNAMICS, ENERGY MINIMIZATION' +_pdbx_nmr_refine.details +;THE STRUCTURES ARE BASED ON A TOTAL OF 254 RESTRAINTS, 174 ARE NOE-DERIVED DISTANCE CONSTRAINTS, 64 DIHEDRAL ANGLE RESTRAINTS, 16 DISTANCE RESTRAINTS FROM HYDROGEN BONDS. +; +_pdbx_nmr_refine.software_ordinal 1 +# +loop_ +_pdbx_nmr_software.classification +_pdbx_nmr_software.name +_pdbx_nmr_software.version +_pdbx_nmr_software.authors +_pdbx_nmr_software.ordinal +collection VNMR 6.1 VARIAN 1 +'structure solution' Discover 97 MSI 2 +'data analysis' VNMR 6.1 VARIAN 3 +collection UXNMR 3.0 BRUKER 4 +processing Felix 97 MSI 5 +'data analysis' Felix 97 MSI 6 +refinement Discover 97 MSI 7 +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 1 Y 1 A DC -3 ? A DC 1 +2 1 Y 1 A DT -2 ? A DT 2 +3 1 Y 1 A DA -1 ? A DA 3 +4 1 Y 1 A DG 0 ? A DG 4 +5 2 Y 1 A DC -3 ? A DC 1 +6 2 Y 1 A DT -2 ? A DT 2 +7 2 Y 1 A DA -1 ? A DA 3 +8 2 Y 1 A DG 0 ? A DG 4 +9 3 Y 1 A DC -3 ? A DC 1 +10 3 Y 1 A DT -2 ? A DT 2 +11 3 Y 1 A DA -1 ? A DA 3 +12 3 Y 1 A DG 0 ? A DG 4 +13 4 Y 1 A DC -3 ? A DC 1 +14 4 Y 1 A DT -2 ? A DT 2 +15 4 Y 1 A DA -1 ? A DA 3 +16 4 Y 1 A DG 0 ? A DG 4 +17 5 Y 1 A DC -3 ? A DC 1 +18 5 Y 1 A DT -2 ? A DT 2 +19 5 Y 1 A DA -1 ? A DA 3 +20 5 Y 1 A DG 0 ? A DG 4 +21 6 Y 1 A DC -3 ? A DC 1 +22 6 Y 1 A DT -2 ? A DT 2 +23 6 Y 1 A DA -1 ? A DA 3 +24 6 Y 1 A DG 0 ? A DG 4 +25 7 Y 1 A DC -3 ? A DC 1 +26 7 Y 1 A DT -2 ? A DT 2 +27 7 Y 1 A DA -1 ? A DA 3 +28 7 Y 1 A DG 0 ? A DG 4 +29 8 Y 1 A DC -3 ? A DC 1 +30 8 Y 1 A DT -2 ? A DT 2 +31 8 Y 1 A DA -1 ? A DA 3 +32 8 Y 1 A DG 0 ? A DG 4 +33 9 Y 1 A DC -3 ? A DC 1 +34 9 Y 1 A DT -2 ? A DT 2 +35 9 Y 1 A DA -1 ? A DA 3 +36 9 Y 1 A DG 0 ? A DG 4 +37 10 Y 1 A DC -3 ? A DC 1 +38 10 Y 1 A DT -2 ? A DT 2 +39 10 Y 1 A DA -1 ? A DA 3 +40 10 Y 1 A DG 0 ? A DG 4 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +DA OP3 O N N 1 +DA P P N N 2 +DA OP1 O N N 3 +DA OP2 O N N 4 +DA "O5'" O N N 5 +DA "C5'" C N N 6 +DA "C4'" C N R 7 +DA "O4'" O N N 8 +DA "C3'" C N S 9 +DA "O3'" O N N 10 +DA "C2'" C N N 11 +DA "C1'" C N R 12 +DA N9 N Y N 13 +DA C8 C Y N 14 +DA N7 N Y N 15 +DA C5 C Y N 16 +DA C6 C Y N 17 +DA N6 N N N 18 +DA N1 N Y N 19 +DA C2 C Y N 20 +DA N3 N Y N 21 +DA C4 C Y N 22 +DA HOP3 H N N 23 +DA HOP2 H N N 24 +DA "H5'" H N N 25 +DA "H5''" H N N 26 +DA "H4'" H N N 27 +DA "H3'" H N N 28 +DA "HO3'" H N N 29 +DA "H2'" H N N 30 +DA "H2''" H N N 31 +DA "H1'" H N N 32 +DA H8 H N N 33 +DA H61 H N N 34 +DA H62 H N N 35 +DA H2 H N N 36 +DC OP3 O N N 37 +DC P P N N 38 +DC OP1 O N N 39 +DC OP2 O N N 40 +DC "O5'" O N N 41 +DC "C5'" C N N 42 +DC "C4'" C N R 43 +DC "O4'" O N N 44 +DC "C3'" C N S 45 +DC "O3'" O N N 46 +DC "C2'" C N N 47 +DC "C1'" C N R 48 +DC N1 N N N 49 +DC C2 C N N 50 +DC O2 O N N 51 +DC N3 N N N 52 +DC C4 C N N 53 +DC N4 N N N 54 +DC C5 C N N 55 +DC C6 C N N 56 +DC HOP3 H N N 57 +DC HOP2 H N N 58 +DC "H5'" H N N 59 +DC "H5''" H N N 60 +DC "H4'" H N N 61 +DC "H3'" H N N 62 +DC "HO3'" H N N 63 +DC "H2'" H N N 64 +DC "H2''" H N N 65 +DC "H1'" H N N 66 +DC H41 H N N 67 +DC H42 H N N 68 +DC H5 H N N 69 +DC H6 H N N 70 +DG OP3 O N N 71 +DG P P N N 72 +DG OP1 O N N 73 +DG OP2 O N N 74 +DG "O5'" O N N 75 +DG "C5'" C N N 76 +DG "C4'" C N R 77 +DG "O4'" O N N 78 +DG "C3'" C N S 79 +DG "O3'" O N N 80 +DG "C2'" C N N 81 +DG "C1'" C N R 82 +DG N9 N Y N 83 +DG C8 C Y N 84 +DG N7 N Y N 85 +DG C5 C Y N 86 +DG C6 C N N 87 +DG O6 O N N 88 +DG N1 N N N 89 +DG C2 C N N 90 +DG N2 N N N 91 +DG N3 N N N 92 +DG C4 C Y N 93 +DG HOP3 H N N 94 +DG HOP2 H N N 95 +DG "H5'" H N N 96 +DG "H5''" H N N 97 +DG "H4'" H N N 98 +DG "H3'" H N N 99 +DG "HO3'" H N N 100 +DG "H2'" H N N 101 +DG "H2''" H N N 102 +DG "H1'" H N N 103 +DG H8 H N N 104 +DG H1 H N N 105 +DG H21 H N N 106 +DG H22 H N N 107 +DT OP3 O N N 108 +DT P P N N 109 +DT OP1 O N N 110 +DT OP2 O N N 111 +DT "O5'" O N N 112 +DT "C5'" C N N 113 +DT "C4'" C N R 114 +DT "O4'" O N N 115 +DT "C3'" C N S 116 +DT "O3'" O N N 117 +DT "C2'" C N N 118 +DT "C1'" C N R 119 +DT N1 N N N 120 +DT C2 C N N 121 +DT O2 O N N 122 +DT N3 N N N 123 +DT C4 C N N 124 +DT O4 O N N 125 +DT C5 C N N 126 +DT C7 C N N 127 +DT C6 C N N 128 +DT HOP3 H N N 129 +DT HOP2 H N N 130 +DT "H5'" H N N 131 +DT "H5''" H N N 132 +DT "H4'" H N N 133 +DT "H3'" H N N 134 +DT "HO3'" H N N 135 +DT "H2'" H N N 136 +DT "H2''" H N N 137 +DT "H1'" H N N 138 +DT H3 H N N 139 +DT H71 H N N 140 +DT H72 H N N 141 +DT H73 H N N 142 +DT H6 H N N 143 +DU OP3 O N N 144 +DU P P N N 145 +DU OP1 O N N 146 +DU OP2 O N N 147 +DU "O5'" O N N 148 +DU "C5'" C N N 149 +DU "C4'" C N R 150 +DU "O4'" O N N 151 +DU "C3'" C N S 152 +DU "O3'" O N N 153 +DU "C2'" C N N 154 +DU "C1'" C N R 155 +DU N1 N N N 156 +DU C2 C N N 157 +DU O2 O N N 158 +DU N3 N N N 159 +DU C4 C N N 160 +DU O4 O N N 161 +DU C5 C N N 162 +DU C6 C N N 163 +DU HOP3 H N N 164 +DU HOP2 H N N 165 +DU "H5'" H N N 166 +DU "H5''" H N N 167 +DU "H4'" H N N 168 +DU "H3'" H N N 169 +DU "HO3'" H N N 170 +DU "H2'" H N N 171 +DU "H2''" H N N 172 +DU "H1'" H N N 173 +DU H3 H N N 174 +DU H5 H N N 175 +DU H6 H N N 176 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +DA OP3 P sing N N 1 +DA OP3 HOP3 sing N N 2 +DA P OP1 doub N N 3 +DA P OP2 sing N N 4 +DA P "O5'" sing N N 5 +DA OP2 HOP2 sing N N 6 +DA "O5'" "C5'" sing N N 7 +DA "C5'" "C4'" sing N N 8 +DA "C5'" "H5'" sing N N 9 +DA "C5'" "H5''" sing N N 10 +DA "C4'" "O4'" sing N N 11 +DA "C4'" "C3'" sing N N 12 +DA "C4'" "H4'" sing N N 13 +DA "O4'" "C1'" sing N N 14 +DA "C3'" "O3'" sing N N 15 +DA "C3'" "C2'" sing N N 16 +DA "C3'" "H3'" sing N N 17 +DA "O3'" "HO3'" sing N N 18 +DA "C2'" "C1'" sing N N 19 +DA "C2'" "H2'" sing N N 20 +DA "C2'" "H2''" sing N N 21 +DA "C1'" N9 sing N N 22 +DA "C1'" "H1'" sing N N 23 +DA N9 C8 sing Y N 24 +DA N9 C4 sing Y N 25 +DA C8 N7 doub Y N 26 +DA C8 H8 sing N N 27 +DA N7 C5 sing Y N 28 +DA C5 C6 sing Y N 29 +DA C5 C4 doub Y N 30 +DA C6 N6 sing N N 31 +DA C6 N1 doub Y N 32 +DA N6 H61 sing N N 33 +DA N6 H62 sing N N 34 +DA N1 C2 sing Y N 35 +DA C2 N3 doub Y N 36 +DA C2 H2 sing N N 37 +DA N3 C4 sing Y N 38 +DC OP3 P sing N N 39 +DC OP3 HOP3 sing N N 40 +DC P OP1 doub N N 41 +DC P OP2 sing N N 42 +DC P "O5'" sing N N 43 +DC OP2 HOP2 sing N N 44 +DC "O5'" "C5'" sing N N 45 +DC "C5'" "C4'" sing N N 46 +DC "C5'" "H5'" sing N N 47 +DC "C5'" "H5''" sing N N 48 +DC "C4'" "O4'" sing N N 49 +DC "C4'" "C3'" sing N N 50 +DC "C4'" "H4'" sing N N 51 +DC "O4'" "C1'" sing N N 52 +DC "C3'" "O3'" sing N N 53 +DC "C3'" "C2'" sing N N 54 +DC "C3'" "H3'" sing N N 55 +DC "O3'" "HO3'" sing N N 56 +DC "C2'" "C1'" sing N N 57 +DC "C2'" "H2'" sing N N 58 +DC "C2'" "H2''" sing N N 59 +DC "C1'" N1 sing N N 60 +DC "C1'" "H1'" sing N N 61 +DC N1 C2 sing N N 62 +DC N1 C6 sing N N 63 +DC C2 O2 doub N N 64 +DC C2 N3 sing N N 65 +DC N3 C4 doub N N 66 +DC C4 N4 sing N N 67 +DC C4 C5 sing N N 68 +DC N4 H41 sing N N 69 +DC N4 H42 sing N N 70 +DC C5 C6 doub N N 71 +DC C5 H5 sing N N 72 +DC C6 H6 sing N N 73 +DG OP3 P sing N N 74 +DG OP3 HOP3 sing N N 75 +DG P OP1 doub N N 76 +DG P OP2 sing N N 77 +DG P "O5'" sing N N 78 +DG OP2 HOP2 sing N N 79 +DG "O5'" "C5'" sing N N 80 +DG "C5'" "C4'" sing N N 81 +DG "C5'" "H5'" sing N N 82 +DG "C5'" "H5''" sing N N 83 +DG "C4'" "O4'" sing N N 84 +DG "C4'" "C3'" sing N N 85 +DG "C4'" "H4'" sing N N 86 +DG "O4'" "C1'" sing N N 87 +DG "C3'" "O3'" sing N N 88 +DG "C3'" "C2'" sing N N 89 +DG "C3'" "H3'" sing N N 90 +DG "O3'" "HO3'" sing N N 91 +DG "C2'" "C1'" sing N N 92 +DG "C2'" "H2'" sing N N 93 +DG "C2'" "H2''" sing N N 94 +DG "C1'" N9 sing N N 95 +DG "C1'" "H1'" sing N N 96 +DG N9 C8 sing Y N 97 +DG N9 C4 sing Y N 98 +DG C8 N7 doub Y N 99 +DG C8 H8 sing N N 100 +DG N7 C5 sing Y N 101 +DG C5 C6 sing N N 102 +DG C5 C4 doub Y N 103 +DG C6 O6 doub N N 104 +DG C6 N1 sing N N 105 +DG N1 C2 sing N N 106 +DG N1 H1 sing N N 107 +DG C2 N2 sing N N 108 +DG C2 N3 doub N N 109 +DG N2 H21 sing N N 110 +DG N2 H22 sing N N 111 +DG N3 C4 sing N N 112 +DT OP3 P sing N N 113 +DT OP3 HOP3 sing N N 114 +DT P OP1 doub N N 115 +DT P OP2 sing N N 116 +DT P "O5'" sing N N 117 +DT OP2 HOP2 sing N N 118 +DT "O5'" "C5'" sing N N 119 +DT "C5'" "C4'" sing N N 120 +DT "C5'" "H5'" sing N N 121 +DT "C5'" "H5''" sing N N 122 +DT "C4'" "O4'" sing N N 123 +DT "C4'" "C3'" sing N N 124 +DT "C4'" "H4'" sing N N 125 +DT "O4'" "C1'" sing N N 126 +DT "C3'" "O3'" sing N N 127 +DT "C3'" "C2'" sing N N 128 +DT "C3'" "H3'" sing N N 129 +DT "O3'" "HO3'" sing N N 130 +DT "C2'" "C1'" sing N N 131 +DT "C2'" "H2'" sing N N 132 +DT "C2'" "H2''" sing N N 133 +DT "C1'" N1 sing N N 134 +DT "C1'" "H1'" sing N N 135 +DT N1 C2 sing N N 136 +DT N1 C6 sing N N 137 +DT C2 O2 doub N N 138 +DT C2 N3 sing N N 139 +DT N3 C4 sing N N 140 +DT N3 H3 sing N N 141 +DT C4 O4 doub N N 142 +DT C4 C5 sing N N 143 +DT C5 C7 sing N N 144 +DT C5 C6 doub N N 145 +DT C7 H71 sing N N 146 +DT C7 H72 sing N N 147 +DT C7 H73 sing N N 148 +DT C6 H6 sing N N 149 +DU OP3 P sing N N 150 +DU OP3 HOP3 sing N N 151 +DU P OP1 doub N N 152 +DU P OP2 sing N N 153 +DU P "O5'" sing N N 154 +DU OP2 HOP2 sing N N 155 +DU "O5'" "C5'" sing N N 156 +DU "C5'" "C4'" sing N N 157 +DU "C5'" "H5'" sing N N 158 +DU "C5'" "H5''" sing N N 159 +DU "C4'" "O4'" sing N N 160 +DU "C4'" "C3'" sing N N 161 +DU "C4'" "H4'" sing N N 162 +DU "O4'" "C1'" sing N N 163 +DU "C3'" "O3'" sing N N 164 +DU "C3'" "C2'" sing N N 165 +DU "C3'" "H3'" sing N N 166 +DU "O3'" "HO3'" sing N N 167 +DU "C2'" "C1'" sing N N 168 +DU "C2'" "H2'" sing N N 169 +DU "C2'" "H2''" sing N N 170 +DU "C1'" N1 sing N N 171 +DU "C1'" "H1'" sing N N 172 +DU N1 C2 sing N N 173 +DU N1 C6 sing N N 174 +DU C2 O2 doub N N 175 +DU C2 N3 sing N N 176 +DU N3 C4 sing N N 177 +DU N3 H3 sing N N 178 +DU C4 O4 doub N N 179 +DU C4 C5 sing N N 180 +DU C5 C6 doub N N 181 +DU C5 H5 sing N N 182 +DU C6 H6 sing N N 183 +# +loop_ +_ndb_struct_conf_na.entry_id +_ndb_struct_conf_na.feature +1QE7 'double helix' +1QE7 'hairpin loop' +# +loop_ +_ndb_struct_na_base_pair.model_number +_ndb_struct_na_base_pair.i_label_asym_id +_ndb_struct_na_base_pair.i_label_comp_id +_ndb_struct_na_base_pair.i_label_seq_id +_ndb_struct_na_base_pair.i_symmetry +_ndb_struct_na_base_pair.j_label_asym_id +_ndb_struct_na_base_pair.j_label_comp_id +_ndb_struct_na_base_pair.j_label_seq_id +_ndb_struct_na_base_pair.j_symmetry +_ndb_struct_na_base_pair.shear +_ndb_struct_na_base_pair.stretch +_ndb_struct_na_base_pair.stagger +_ndb_struct_na_base_pair.buckle +_ndb_struct_na_base_pair.propeller +_ndb_struct_na_base_pair.opening +_ndb_struct_na_base_pair.pair_number +_ndb_struct_na_base_pair.pair_name +_ndb_struct_na_base_pair.i_auth_asym_id +_ndb_struct_na_base_pair.i_auth_seq_id +_ndb_struct_na_base_pair.i_PDB_ins_code +_ndb_struct_na_base_pair.j_auth_asym_id +_ndb_struct_na_base_pair.j_auth_seq_id +_ndb_struct_na_base_pair.j_PDB_ins_code +_ndb_struct_na_base_pair.hbond_type_28 +_ndb_struct_na_base_pair.hbond_type_12 +1 A DA 5 1_555 A DT 22 1_555 0.017 -0.108 -0.236 -3.610 -22.792 5.015 1 A_DA1:DT9B_A A 1 ? A 9 B 20 1 +1 A DG 6 1_555 A DC 21 1_555 -0.595 -0.268 -0.432 -10.085 -2.524 -1.658 2 A_DG2:DC8B_A A 2 ? A 8 B 19 1 +1 A DG 7 1_555 A DC 20 1_555 -0.455 -0.203 -0.209 -6.437 6.336 -0.888 3 A_DG3:DC7B_A A 3 ? A 7 B 19 1 +1 A DA 8 1_555 A DT 19 1_555 0.006 -0.123 -0.252 1.464 2.588 -0.731 4 A_DA4:DT6B_A A 4 ? A 6 B 20 1 +1 A DT 9 1_555 A DA 18 1_555 0.047 -0.144 -0.584 9.023 2.743 0.467 5 A_DT5:DA5B_A A 5 ? A 5 B 20 1 +1 A DC 10 1_555 A DG 17 1_555 0.665 -0.245 -0.012 -4.653 2.984 0.513 6 A_DC6:DG4B_A A 6 ? A 4 B 19 1 +1 A DC 11 1_555 A DG 16 1_555 0.224 -0.126 0.087 -16.018 -4.711 -2.386 7 A_DC7:DG3B_A A 7 ? A 3 B 19 1 +# +loop_ +_ndb_struct_na_base_pair_step.model_number +_ndb_struct_na_base_pair_step.i_label_asym_id_1 +_ndb_struct_na_base_pair_step.i_label_comp_id_1 +_ndb_struct_na_base_pair_step.i_label_seq_id_1 +_ndb_struct_na_base_pair_step.i_symmetry_1 +_ndb_struct_na_base_pair_step.j_label_asym_id_1 +_ndb_struct_na_base_pair_step.j_label_comp_id_1 +_ndb_struct_na_base_pair_step.j_label_seq_id_1 +_ndb_struct_na_base_pair_step.j_symmetry_1 +_ndb_struct_na_base_pair_step.i_label_asym_id_2 +_ndb_struct_na_base_pair_step.i_label_comp_id_2 +_ndb_struct_na_base_pair_step.i_label_seq_id_2 +_ndb_struct_na_base_pair_step.i_symmetry_2 +_ndb_struct_na_base_pair_step.j_label_asym_id_2 +_ndb_struct_na_base_pair_step.j_label_comp_id_2 +_ndb_struct_na_base_pair_step.j_label_seq_id_2 +_ndb_struct_na_base_pair_step.j_symmetry_2 +_ndb_struct_na_base_pair_step.shift +_ndb_struct_na_base_pair_step.slide +_ndb_struct_na_base_pair_step.rise +_ndb_struct_na_base_pair_step.tilt +_ndb_struct_na_base_pair_step.roll +_ndb_struct_na_base_pair_step.twist +_ndb_struct_na_base_pair_step.x_displacement +_ndb_struct_na_base_pair_step.y_displacement +_ndb_struct_na_base_pair_step.helical_rise +_ndb_struct_na_base_pair_step.inclination +_ndb_struct_na_base_pair_step.tip +_ndb_struct_na_base_pair_step.helical_twist +_ndb_struct_na_base_pair_step.step_number +_ndb_struct_na_base_pair_step.step_name +_ndb_struct_na_base_pair_step.i_auth_asym_id_1 +_ndb_struct_na_base_pair_step.i_auth_seq_id_1 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.j_auth_asym_id_1 +_ndb_struct_na_base_pair_step.j_auth_seq_id_1 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.i_auth_asym_id_2 +_ndb_struct_na_base_pair_step.i_auth_seq_id_2 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 +_ndb_struct_na_base_pair_step.j_auth_asym_id_2 +_ndb_struct_na_base_pair_step.j_auth_seq_id_2 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 +1 A DA 5 1_555 A DT 22 1_555 A DG 6 1_555 A DC 21 1_555 -0.728 -1.837 3.168 -1.759 15.964 27.633 -5.763 1.058 1.892 30.389 +3.349 31.883 1 AA_DA1DG2:DC8BDT9B_AA A 1 ? A 9 B A 2 ? A 8 B +1 A DG 6 1_555 A DC 21 1_555 A DG 7 1_555 A DC 20 1_555 0.503 -1.565 3.098 1.218 2.295 36.117 -2.821 -0.649 3.011 3.696 +-1.962 36.207 2 AA_DG2DG3:DC7BDC8B_AA A 2 ? A 8 B A 3 ? A 7 B +1 A DG 7 1_555 A DC 20 1_555 A DA 8 1_555 A DT 19 1_555 0.127 -1.800 3.074 2.964 1.591 33.540 -3.345 0.228 2.988 2.748 +-5.120 33.704 3 AA_DG3DA4:DT6BDC7B_AA A 3 ? A 7 B A 4 ? A 6 B +1 A DA 8 1_555 A DT 19 1_555 A DT 9 1_555 A DA 18 1_555 0.804 -1.442 3.143 2.077 -0.151 26.066 -3.148 -1.228 3.204 -0.333 +-4.596 26.147 4 AA_DA4DT5:DA5BDT6B_AA A 4 ? A 6 B A 5 ? A 5 B +1 A DT 9 1_555 A DA 18 1_555 A DC 10 1_555 A DG 17 1_555 -0.234 -1.398 3.558 -5.637 4.204 41.330 -2.426 -0.304 3.408 5.904 +7.917 41.898 5 AA_DT5DC6:DG4BDA5B_AA A 5 ? A 5 B A 6 ? A 4 B +1 A DC 10 1_555 A DG 17 1_555 A DC 11 1_555 A DG 16 1_555 -0.323 -2.139 3.437 2.833 -0.772 31.873 -3.733 1.125 3.446 -1.401 +-5.145 32.005 6 AA_DC6DC7:DG3BDG4B_AA A 6 ? A 4 B A 7 ? A 3 B +# +loop_ +_pdbx_nmr_spectrometer.spectrometer_id +_pdbx_nmr_spectrometer.model +_pdbx_nmr_spectrometer.manufacturer +_pdbx_nmr_spectrometer.field_strength +_pdbx_nmr_spectrometer.type +1 UNITYPLUS Varian 600 ? +2 AMX Bruker 500 ? +# +_atom_sites.entry_id 1QE7 +_atom_sites.fract_transf_matrix[1][1] 1.000000 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 1.000000 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 1.000000 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +H +N +O +P +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 O "O5'" . DA A 1 5 ? 7.420 -10.284 0.393 1.00 0.00 ? 1 DA A "O5'" 1 +ATOM 2 C "C5'" . DA A 1 5 ? 6.133 -9.982 0.908 1.00 0.00 ? 1 DA A "C5'" 1 +ATOM 3 C "C4'" . DA A 1 5 ? 5.380 -8.997 -0.003 1.00 0.00 ? 1 DA A "C4'" 1 +ATOM 4 O "O4'" . DA A 1 5 ? 4.116 -8.618 0.532 1.00 0.00 ? 1 DA A "O4'" 1 +ATOM 5 C "C3'" . DA A 1 5 ? 6.146 -7.682 -0.133 1.00 0.00 ? 1 DA A "C3'" 1 +ATOM 6 O "O3'" . DA A 1 5 ? 6.918 -7.650 -1.311 1.00 0.00 ? 1 DA A "O3'" 1 +ATOM 7 C "C2'" . DA A 1 5 ? 5.071 -6.603 -0.185 1.00 0.00 ? 1 DA A "C2'" 1 +ATOM 8 C "C1'" . DA A 1 5 ? 3.759 -7.383 -0.070 1.00 0.00 ? 1 DA A "C1'" 1 +ATOM 9 N N9 . DA A 1 5 ? 2.718 -6.668 0.698 1.00 0.00 ? 1 DA A N9 1 +ATOM 10 C C8 . DA A 1 5 ? 1.848 -7.147 1.649 1.00 0.00 ? 1 DA A C8 1 +ATOM 11 N N7 . DA A 1 5 ? 0.964 -6.275 2.054 1.00 0.00 ? 1 DA A N7 1 +ATOM 12 C C5 . DA A 1 5 ? 1.281 -5.126 1.316 1.00 0.00 ? 1 DA A C5 1 +ATOM 13 C C6 . DA A 1 5 ? 0.753 -3.817 1.201 1.00 0.00 ? 1 DA A C6 1 +ATOM 14 N N6 . DA A 1 5 ? -0.299 -3.364 1.855 1.00 0.00 ? 1 DA A N6 1 +ATOM 15 N N1 . DA A 1 5 ? 1.263 -2.938 0.330 1.00 0.00 ? 1 DA A N1 1 +ATOM 16 C C2 . DA A 1 5 ? 2.299 -3.316 -0.407 1.00 0.00 ? 1 DA A C2 1 +ATOM 17 N N3 . DA A 1 5 ? 2.894 -4.503 -0.413 1.00 0.00 ? 1 DA A N3 1 +ATOM 18 C C4 . DA A 1 5 ? 2.343 -5.365 0.486 1.00 0.00 ? 1 DA A C4 1 +ATOM 19 H "H5'" . DA A 1 5 ? 6.240 -9.562 1.910 1.00 0.00 ? 1 DA A "H5'" 1 +ATOM 20 H "H5''" . DA A 1 5 ? 5.562 -10.908 0.982 1.00 0.00 ? 1 DA A "H5''" 1 +ATOM 21 H "H4'" . DA A 1 5 ? 5.249 -9.458 -0.985 1.00 0.00 ? 1 DA A "H4'" 1 +ATOM 22 H "H3'" . DA A 1 5 ? 6.729 -7.558 0.782 1.00 0.00 ? 1 DA A "H3'" 1 +ATOM 23 H "H2'" . DA A 1 5 ? 5.224 -5.912 0.644 1.00 0.00 ? 1 DA A "H2'" 1 +ATOM 24 H "H2''" . DA A 1 5 ? 5.100 -6.038 -1.119 1.00 0.00 ? 1 DA A "H2''" 1 +ATOM 25 H "H1'" . DA A 1 5 ? 3.364 -7.575 -1.071 1.00 0.00 ? 1 DA A "H1'" 1 +ATOM 26 H H8 . DA A 1 5 ? 1.863 -8.164 2.021 1.00 0.00 ? 1 DA A H8 1 +ATOM 27 H H61 . DA A 1 5 ? -0.568 -2.404 1.677 1.00 0.00 ? 1 DA A H61 1 +ATOM 28 H H62 . DA A 1 5 ? -0.716 -3.927 2.574 1.00 0.00 ? 1 DA A H62 1 +ATOM 29 H H2 . DA A 1 5 ? 2.686 -2.587 -1.101 1.00 0.00 ? 1 DA A H2 1 +ATOM 30 H "HO5'" . DA A 1 5 ? 7.959 -9.474 0.310 1.00 0.00 ? 1 DA A "HO5'" 1 +ATOM 31 P P . DG A 1 6 ? 8.478 -7.334 -1.220 1.00 0.00 ? 2 DG A P 1 +ATOM 32 O OP1 . DG A 1 6 ? 9.064 -7.493 -2.566 1.00 0.00 ? 2 DG A OP1 1 +ATOM 33 O OP2 . DG A 1 6 ? 8.975 -8.147 -0.083 1.00 0.00 ? 2 DG A OP2 1 +ATOM 34 O "O5'" . DG A 1 6 ? 8.467 -5.768 -0.826 1.00 0.00 ? 2 DG A "O5'" 1 +ATOM 35 C "C5'" . DG A 1 6 ? 8.694 -5.300 0.497 1.00 0.00 ? 2 DG A "C5'" 1 +ATOM 36 C "C4'" . DG A 1 6 ? 8.373 -3.794 0.592 1.00 0.00 ? 2 DG A "C4'" 1 +ATOM 37 O "O4'" . DG A 1 6 ? 6.966 -3.553 0.670 1.00 0.00 ? 2 DG A "O4'" 1 +ATOM 38 C "C3'" . DG A 1 6 ? 8.997 -3.115 1.831 1.00 0.00 ? 2 DG A "C3'" 1 +ATOM 39 O "O3'" . DG A 1 6 ? 9.705 -1.960 1.425 1.00 0.00 ? 2 DG A "O3'" 1 +ATOM 40 C "C2'" . DG A 1 6 ? 7.763 -2.762 2.660 1.00 0.00 ? 2 DG A "C2'" 1 +ATOM 41 C "C1'" . DG A 1 6 ? 6.758 -2.467 1.556 1.00 0.00 ? 2 DG A "C1'" 1 +ATOM 42 N N9 . DG A 1 6 ? 5.372 -2.465 2.070 1.00 0.00 ? 2 DG A N9 1 +ATOM 43 C C8 . DG A 1 6 ? 4.636 -3.519 2.546 1.00 0.00 ? 2 DG A C8 1 +ATOM 44 N N7 . DG A 1 6 ? 3.415 -3.221 2.887 1.00 0.00 ? 2 DG A N7 1 +ATOM 45 C C5 . DG A 1 6 ? 3.345 -1.843 2.655 1.00 0.00 ? 2 DG A C5 1 +ATOM 46 C C6 . DG A 1 6 ? 2.292 -0.891 2.859 1.00 0.00 ? 2 DG A C6 1 +ATOM 47 O O6 . DG A 1 6 ? 1.149 -1.089 3.247 1.00 0.00 ? 2 DG A O6 1 +ATOM 48 N N1 . DG A 1 6 ? 2.635 0.414 2.566 1.00 0.00 ? 2 DG A N1 1 +ATOM 49 C C2 . DG A 1 6 ? 3.859 0.766 2.102 1.00 0.00 ? 2 DG A C2 1 +ATOM 50 N N2 . DG A 1 6 ? 4.076 2.040 1.934 1.00 0.00 ? 2 DG A N2 1 +ATOM 51 N N3 . DG A 1 6 ? 4.863 -0.080 1.894 1.00 0.00 ? 2 DG A N3 1 +ATOM 52 C C4 . DG A 1 6 ? 4.547 -1.373 2.182 1.00 0.00 ? 2 DG A C4 1 +ATOM 53 H "H5'" . DG A 1 6 ? 9.749 -5.460 0.729 1.00 0.00 ? 2 DG A "H5'" 1 +ATOM 54 H "H5''" . DG A 1 6 ? 8.091 -5.832 1.234 1.00 0.00 ? 2 DG A "H5''" 1 +ATOM 55 H "H4'" . DG A 1 6 ? 8.759 -3.312 -0.310 1.00 0.00 ? 2 DG A "H4'" 1 +ATOM 56 H "H3'" . DG A 1 6 ? 9.654 -3.799 2.376 1.00 0.00 ? 2 DG A "H3'" 1 +ATOM 57 H "H2'" . DG A 1 6 ? 7.458 -3.633 3.241 1.00 0.00 ? 2 DG A "H2'" 1 +ATOM 58 H "H2''" . DG A 1 6 ? 7.906 -1.910 3.324 1.00 0.00 ? 2 DG A "H2''" 1 +ATOM 59 H "H1'" . DG A 1 6 ? 7.002 -1.527 1.055 1.00 0.00 ? 2 DG A "H1'" 1 +ATOM 60 H H8 . DG A 1 6 ? 5.023 -4.517 2.640 1.00 0.00 ? 2 DG A H8 1 +ATOM 61 H H1 . DG A 1 6 ? 1.915 1.110 2.725 1.00 0.00 ? 2 DG A H1 1 +ATOM 62 H H21 . DG A 1 6 ? 3.352 2.716 2.128 1.00 0.00 ? 2 DG A H21 1 +ATOM 63 H H22 . DG A 1 6 ? 5.012 2.284 1.668 1.00 0.00 ? 2 DG A H22 1 +ATOM 64 P P . DG A 1 7 ? 10.505 -1.044 2.473 1.00 0.00 ? 3 DG A P 1 +ATOM 65 O OP1 . DG A 1 7 ? 11.705 -0.505 1.800 1.00 0.00 ? 3 DG A OP1 1 +ATOM 66 O OP2 . DG A 1 7 ? 10.647 -1.804 3.734 1.00 0.00 ? 3 DG A OP2 1 +ATOM 67 O "O5'" . DG A 1 7 ? 9.482 0.171 2.726 1.00 0.00 ? 3 DG A "O5'" 1 +ATOM 68 C "C5'" . DG A 1 7 ? 9.484 0.889 3.947 1.00 0.00 ? 3 DG A "C5'" 1 +ATOM 69 C "C4'" . DG A 1 7 ? 8.595 2.145 3.860 1.00 0.00 ? 3 DG A "C4'" 1 +ATOM 70 O "O4'" . DG A 1 7 ? 7.224 1.787 3.684 1.00 0.00 ? 3 DG A "O4'" 1 +ATOM 71 C "C3'" . DG A 1 7 ? 8.686 2.954 5.167 1.00 0.00 ? 3 DG A "C3'" 1 +ATOM 72 O "O3'" . DG A 1 7 ? 8.612 4.343 4.903 1.00 0.00 ? 3 DG A "O3'" 1 +ATOM 73 C "C2'" . DG A 1 7 ? 7.436 2.486 5.894 1.00 0.00 ? 3 DG A "C2'" 1 +ATOM 74 C "C1'" . DG A 1 7 ? 6.457 2.345 4.734 1.00 0.00 ? 3 DG A "C1'" 1 +ATOM 75 N N9 . DG A 1 7 ? 5.348 1.438 5.083 1.00 0.00 ? 3 DG A N9 1 +ATOM 76 C C8 . DG A 1 7 ? 5.373 0.075 5.223 1.00 0.00 ? 3 DG A C8 1 +ATOM 77 N N7 . DG A 1 7 ? 4.229 -0.448 5.570 1.00 0.00 ? 3 DG A N7 1 +ATOM 78 C C5 . DG A 1 7 ? 3.377 0.658 5.669 1.00 0.00 ? 3 DG A C5 1 +ATOM 79 C C6 . DG A 1 7 ? 1.987 0.782 6.014 1.00 0.00 ? 3 DG A C6 1 +ATOM 80 O O6 . DG A 1 7 ? 1.195 -0.093 6.336 1.00 0.00 ? 3 DG A O6 1 +ATOM 81 N N1 . DG A 1 7 ? 1.502 2.076 5.978 1.00 0.00 ? 3 DG A N1 1 +ATOM 82 C C2 . DG A 1 7 ? 2.265 3.137 5.622 1.00 0.00 ? 3 DG A C2 1 +ATOM 83 N N2 . DG A 1 7 ? 1.706 4.312 5.682 1.00 0.00 ? 3 DG A N2 1 +ATOM 84 N N3 . DG A 1 7 ? 3.557 3.074 5.323 1.00 0.00 ? 3 DG A N3 1 +ATOM 85 C C4 . DG A 1 7 ? 4.058 1.810 5.357 1.00 0.00 ? 3 DG A C4 1 +ATOM 86 H "H5'" . DG A 1 7 ? 10.504 1.210 4.171 1.00 0.00 ? 3 DG A "H5'" 1 +ATOM 87 H "H5''" . DG A 1 7 ? 9.132 0.245 4.757 1.00 0.00 ? 3 DG A "H5''" 1 +ATOM 88 H "H4'" . DG A 1 7 ? 8.942 2.746 3.016 1.00 0.00 ? 3 DG A "H4'" 1 +ATOM 89 H "H3'" . DG A 1 7 ? 9.596 2.705 5.720 1.00 0.00 ? 3 DG A "H3'" 1 +ATOM 90 H "H2'" . DG A 1 7 ? 7.617 1.529 6.383 1.00 0.00 ? 3 DG A "H2'" 1 +ATOM 91 H "H2''" . DG A 1 7 ? 7.097 3.208 6.626 1.00 0.00 ? 3 DG A "H2''" 1 +ATOM 92 H "H1'" . DG A 1 7 ? 6.089 3.329 4.434 1.00 0.00 ? 3 DG A "H1'" 1 +ATOM 93 H H8 . DG A 1 7 ? 6.265 -0.514 5.064 1.00 0.00 ? 3 DG A H8 1 +ATOM 94 H H1 . DG A 1 7 ? 0.517 2.195 6.182 1.00 0.00 ? 3 DG A H1 1 +ATOM 95 H H21 . DG A 1 7 ? 0.737 4.417 5.945 1.00 0.00 ? 3 DG A H21 1 +ATOM 96 H H22 . DG A 1 7 ? 2.323 5.084 5.502 1.00 0.00 ? 3 DG A H22 1 +ATOM 97 P P . DA A 1 8 ? 8.901 5.433 6.054 1.00 0.00 ? 4 DA A P 1 +ATOM 98 O OP1 . DA A 1 8 ? 9.329 6.681 5.389 1.00 0.00 ? 4 DA A OP1 1 +ATOM 99 O OP2 . DA A 1 8 ? 9.778 4.802 7.063 1.00 0.00 ? 4 DA A OP2 1 +ATOM 100 O "O5'" . DA A 1 8 ? 7.460 5.691 6.736 1.00 0.00 ? 4 DA A "O5'" 1 +ATOM 101 C "C5'" . DA A 1 8 ? 6.499 6.538 6.126 1.00 0.00 ? 4 DA A "C5'" 1 +ATOM 102 C "C4'" . DA A 1 8 ? 5.250 6.748 7.002 1.00 0.00 ? 4 DA A "C4'" 1 +ATOM 103 O "O4'" . DA A 1 8 ? 4.408 5.602 7.064 1.00 0.00 ? 4 DA A "O4'" 1 +ATOM 104 C "C3'" . DA A 1 8 ? 5.539 7.183 8.453 1.00 0.00 ? 4 DA A "C3'" 1 +ATOM 105 O "O3'" . DA A 1 8 ? 4.977 8.459 8.696 1.00 0.00 ? 4 DA A "O3'" 1 +ATOM 106 C "C2'" . DA A 1 8 ? 4.878 6.071 9.256 1.00 0.00 ? 4 DA A "C2'" 1 +ATOM 107 C "C1'" . DA A 1 8 ? 3.766 5.612 8.324 1.00 0.00 ? 4 DA A "C1'" 1 +ATOM 108 N N9 . DA A 1 8 ? 3.350 4.235 8.642 1.00 0.00 ? 4 DA A N9 1 +ATOM 109 C C8 . DA A 1 8 ? 4.137 3.114 8.688 1.00 0.00 ? 4 DA A C8 1 +ATOM 110 N N7 . DA A 1 8 ? 3.490 2.008 8.931 1.00 0.00 ? 4 DA A N7 1 +ATOM 111 C C5 . DA A 1 8 ? 2.168 2.445 9.064 1.00 0.00 ? 4 DA A C5 1 +ATOM 112 C C6 . DA A 1 8 ? 0.936 1.815 9.335 1.00 0.00 ? 4 DA A C6 1 +ATOM 113 N N6 . DA A 1 8 ? 0.811 0.520 9.538 1.00 0.00 ? 4 DA A N6 1 +ATOM 114 N N1 . DA A 1 8 ? -0.197 2.518 9.444 1.00 0.00 ? 4 DA A N1 1 +ATOM 115 C C2 . DA A 1 8 ? -0.135 3.830 9.243 1.00 0.00 ? 4 DA A C2 1 +ATOM 116 N N3 . DA A 1 8 ? 0.944 4.554 8.966 1.00 0.00 ? 4 DA A N3 1 +ATOM 117 C C4 . DA A 1 8 ? 2.075 3.800 8.895 1.00 0.00 ? 4 DA A C4 1 +ATOM 118 H "H5'" . DA A 1 8 ? 6.194 6.125 5.162 1.00 0.00 ? 4 DA A "H5'" 1 +ATOM 119 H "H5''" . DA A 1 8 ? 6.940 7.523 5.958 1.00 0.00 ? 4 DA A "H5''" 1 +ATOM 120 H "H4'" . DA A 1 8 ? 4.657 7.525 6.515 1.00 0.00 ? 4 DA A "H4'" 1 +ATOM 121 H "H3'" . DA A 1 8 ? 6.604 7.157 8.681 1.00 0.00 ? 4 DA A "H3'" 1 +ATOM 122 H "H2'" . DA A 1 8 ? 5.620 5.291 9.424 1.00 0.00 ? 4 DA A "H2'" 1 +ATOM 123 H "H2''" . DA A 1 8 ? 4.493 6.415 10.208 1.00 0.00 ? 4 DA A "H2''" 1 +ATOM 124 H "H1'" . DA A 1 8 ? 2.934 6.320 8.327 1.00 0.00 ? 4 DA A "H1'" 1 +ATOM 125 H H8 . DA A 1 8 ? 5.205 3.150 8.545 1.00 0.00 ? 4 DA A H8 1 +ATOM 126 H H61 . DA A 1 8 ? -0.108 0.169 9.759 1.00 0.00 ? 4 DA A H61 1 +ATOM 127 H H62 . DA A 1 8 ? 1.623 -0.069 9.477 1.00 0.00 ? 4 DA A H62 1 +ATOM 128 H H2 . DA A 1 8 ? -1.064 4.372 9.324 1.00 0.00 ? 4 DA A H2 1 +ATOM 129 P P . DT A 1 9 ? 5.221 9.257 10.072 1.00 0.00 ? 5 DT A P 1 +ATOM 130 O OP1 . DT A 1 9 ? 5.006 10.696 9.812 1.00 0.00 ? 5 DT A OP1 1 +ATOM 131 O OP2 . DT A 1 9 ? 6.491 8.793 10.669 1.00 0.00 ? 5 DT A OP2 1 +ATOM 132 O "O5'" . DT A 1 9 ? 4.010 8.730 10.984 1.00 0.00 ? 5 DT A "O5'" 1 +ATOM 133 C "C5'" . DT A 1 9 ? 2.669 9.058 10.672 1.00 0.00 ? 5 DT A "C5'" 1 +ATOM 134 C "C4'" . DT A 1 9 ? 1.704 8.229 11.527 1.00 0.00 ? 5 DT A "C4'" 1 +ATOM 135 O "O4'" . DT A 1 9 ? 1.776 6.840 11.248 1.00 0.00 ? 5 DT A "O4'" 1 +ATOM 136 C "C3'" . DT A 1 9 ? 1.838 8.421 13.050 1.00 0.00 ? 5 DT A "C3'" 1 +ATOM 137 O "O3'" . DT A 1 9 ? 0.648 8.990 13.563 1.00 0.00 ? 5 DT A "O3'" 1 +ATOM 138 C "C2'" . DT A 1 9 ? 2.001 6.970 13.487 1.00 0.00 ? 5 DT A "C2'" 1 +ATOM 139 C "C1'" . DT A 1 9 ? 1.225 6.236 12.388 1.00 0.00 ? 5 DT A "C1'" 1 +ATOM 140 N N1 . DT A 1 9 ? 1.487 4.777 12.361 1.00 0.00 ? 5 DT A N1 1 +ATOM 141 C C2 . DT A 1 9 ? 0.393 3.923 12.469 1.00 0.00 ? 5 DT A C2 1 +ATOM 142 O O2 . DT A 1 9 ? -0.771 4.291 12.516 1.00 0.00 ? 5 DT A O2 1 +ATOM 143 N N3 . DT A 1 9 ? 0.663 2.586 12.555 1.00 0.00 ? 5 DT A N3 1 +ATOM 144 C C4 . DT A 1 9 ? 1.906 2.011 12.523 1.00 0.00 ? 5 DT A C4 1 +ATOM 145 O O4 . DT A 1 9 ? 1.983 0.800 12.675 1.00 0.00 ? 5 DT A O4 1 +ATOM 146 C C5 . DT A 1 9 ? 3.017 2.943 12.318 1.00 0.00 ? 5 DT A C5 1 +ATOM 147 C C7 . DT A 1 9 ? 4.457 2.442 12.201 1.00 0.00 ? 5 DT A C7 1 +ATOM 148 C C6 . DT A 1 9 ? 2.771 4.279 12.250 1.00 0.00 ? 5 DT A C6 1 +ATOM 149 H "H5'" . DT A 1 9 ? 2.452 8.846 9.622 1.00 0.00 ? 5 DT A "H5'" 1 +ATOM 150 H "H5''" . DT A 1 9 ? 2.493 10.119 10.860 1.00 0.00 ? 5 DT A "H5''" 1 +ATOM 151 H "H4'" . DT A 1 9 ? 0.678 8.476 11.277 1.00 0.00 ? 5 DT A "H4'" 1 +ATOM 152 H "H3'" . DT A 1 9 ? 2.717 9.017 13.308 1.00 0.00 ? 5 DT A "H3'" 1 +ATOM 153 H "H2'" . DT A 1 9 ? 3.066 6.746 13.473 1.00 0.00 ? 5 DT A "H2'" 1 +ATOM 154 H "H2''" . DT A 1 9 ? 1.628 6.795 14.488 1.00 0.00 ? 5 DT A "H2''" 1 +ATOM 155 H "H1'" . DT A 1 9 ? 0.158 6.499 12.404 1.00 0.00 ? 5 DT A "H1'" 1 +ATOM 156 H H3 . DT A 1 9 ? -0.137 1.990 12.732 1.00 0.00 ? 5 DT A H3 1 +ATOM 157 H H71 . DT A 1 9 ? 4.479 1.482 11.680 1.00 0.00 ? 5 DT A H71 1 +ATOM 158 H H72 . DT A 1 9 ? 5.082 3.139 11.639 1.00 0.00 ? 5 DT A H72 1 +ATOM 159 H H73 . DT A 1 9 ? 4.885 2.310 13.196 1.00 0.00 ? 5 DT A H73 1 +ATOM 160 H H6 . DT A 1 9 ? 3.595 4.964 12.108 1.00 0.00 ? 5 DT A H6 1 +ATOM 161 P P . DC A 1 10 ? 0.493 9.429 15.100 1.00 0.00 ? 6 DC A P 1 +ATOM 162 O OP1 . DC A 1 10 ? 0.133 10.862 15.138 1.00 0.00 ? 6 DC A OP1 1 +ATOM 163 O OP2 . DC A 1 10 ? 1.661 8.933 15.859 1.00 0.00 ? 6 DC A OP2 1 +ATOM 164 O "O5'" . DC A 1 10 ? -0.792 8.568 15.540 1.00 0.00 ? 6 DC A "O5'" 1 +ATOM 165 C "C5'" . DC A 1 10 ? -2.075 8.831 14.994 1.00 0.00 ? 6 DC A "C5'" 1 +ATOM 166 C "C4'" . DC A 1 10 ? -3.130 7.832 15.504 1.00 0.00 ? 6 DC A "C4'" 1 +ATOM 167 O "O4'" . DC A 1 10 ? -2.809 6.514 15.066 1.00 0.00 ? 6 DC A "O4'" 1 +ATOM 168 C "C3'" . DC A 1 10 ? -3.236 7.806 17.038 1.00 0.00 ? 6 DC A "C3'" 1 +ATOM 169 O "O3'" . DC A 1 10 ? -4.582 7.601 17.428 1.00 0.00 ? 6 DC A "O3'" 1 +ATOM 170 C "C2'" . DC A 1 10 ? -2.390 6.586 17.374 1.00 0.00 ? 6 DC A "C2'" 1 +ATOM 171 C "C1'" . DC A 1 10 ? -2.718 5.671 16.197 1.00 0.00 ? 6 DC A "C1'" 1 +ATOM 172 N N1 . DC A 1 10 ? -1.637 4.676 15.999 1.00 0.00 ? 6 DC A N1 1 +ATOM 173 C C2 . DC A 1 10 ? -1.864 3.359 16.378 1.00 0.00 ? 6 DC A C2 1 +ATOM 174 O O2 . DC A 1 10 ? -2.964 2.990 16.762 1.00 0.00 ? 6 DC A O2 1 +ATOM 175 N N3 . DC A 1 10 ? -0.863 2.445 16.339 1.00 0.00 ? 6 DC A N3 1 +ATOM 176 C C4 . DC A 1 10 ? 0.327 2.833 15.915 1.00 0.00 ? 6 DC A C4 1 +ATOM 177 N N4 . DC A 1 10 ? 1.245 1.910 15.922 1.00 0.00 ? 6 DC A N4 1 +ATOM 178 C C5 . DC A 1 10 ? 0.623 4.166 15.500 1.00 0.00 ? 6 DC A C5 1 +ATOM 179 C C6 . DC A 1 10 ? -0.397 5.054 15.549 1.00 0.00 ? 6 DC A C6 1 +ATOM 180 H "H5'" . DC A 1 10 ? -2.042 8.765 13.904 1.00 0.00 ? 6 DC A "H5'" 1 +ATOM 181 H "H5''" . DC A 1 10 ? -2.392 9.840 15.270 1.00 0.00 ? 6 DC A "H5''" 1 +ATOM 182 H "H4'" . DC A 1 10 ? -4.092 8.120 15.075 1.00 0.00 ? 6 DC A "H4'" 1 +ATOM 183 H "H3'" . DC A 1 10 ? -2.831 8.724 17.471 1.00 0.00 ? 6 DC A "H3'" 1 +ATOM 184 H "H2'" . DC A 1 10 ? -1.340 6.878 17.377 1.00 0.00 ? 6 DC A "H2'" 1 +ATOM 185 H "H2''" . DC A 1 10 ? -2.648 6.147 18.335 1.00 0.00 ? 6 DC A "H2''" 1 +ATOM 186 H "H1'" . DC A 1 10 ? -3.705 5.229 16.350 1.00 0.00 ? 6 DC A "H1'" 1 +ATOM 187 H H41 . DC A 1 10 ? 0.909 1.012 16.240 1.00 0.00 ? 6 DC A H41 1 +ATOM 188 H H42 . DC A 1 10 ? 2.185 2.096 15.633 1.00 0.00 ? 6 DC A H42 1 +ATOM 189 H H5 . DC A 1 10 ? 1.589 4.498 15.144 1.00 0.00 ? 6 DC A H5 1 +ATOM 190 H H6 . DC A 1 10 ? -0.232 6.070 15.221 1.00 0.00 ? 6 DC A H6 1 +ATOM 191 P P . DC A 1 11 ? -5.039 7.714 18.966 1.00 0.00 ? 7 DC A P 1 +ATOM 192 O OP1 . DC A 1 11 ? -6.417 8.251 18.986 1.00 0.00 ? 7 DC A OP1 1 +ATOM 193 O OP2 . DC A 1 11 ? -3.971 8.412 19.712 1.00 0.00 ? 7 DC A OP2 1 +ATOM 194 O "O5'" . DC A 1 11 ? -5.084 6.185 19.482 1.00 0.00 ? 7 DC A "O5'" 1 +ATOM 195 C "C5'" . DC A 1 11 ? -6.227 5.365 19.281 1.00 0.00 ? 7 DC A "C5'" 1 +ATOM 196 C "C4'" . DC A 1 11 ? -6.130 4.042 20.064 1.00 0.00 ? 7 DC A "C4'" 1 +ATOM 197 O "O4'" . DC A 1 11 ? -5.173 3.162 19.472 1.00 0.00 ? 7 DC A "O4'" 1 +ATOM 198 C "C3'" . DC A 1 11 ? -5.734 4.255 21.544 1.00 0.00 ? 7 DC A "C3'" 1 +ATOM 199 O "O3'" . DC A 1 11 ? -6.537 3.482 22.405 1.00 0.00 ? 7 DC A "O3'" 1 +ATOM 200 C "C2'" . DC A 1 11 ? -4.307 3.728 21.523 1.00 0.00 ? 7 DC A "C2'" 1 +ATOM 201 C "C1'" . DC A 1 11 ? -4.423 2.588 20.519 1.00 0.00 ? 7 DC A "C1'" 1 +ATOM 202 N N1 . DC A 1 11 ? -3.076 2.190 20.060 1.00 0.00 ? 7 DC A N1 1 +ATOM 203 C C2 . DC A 1 11 ? -2.589 0.919 20.373 1.00 0.00 ? 7 DC A C2 1 +ATOM 204 O O2 . DC A 1 11 ? -3.324 0.034 20.789 1.00 0.00 ? 7 DC A O2 1 +ATOM 205 N N3 . DC A 1 11 ? -1.265 0.636 20.229 1.00 0.00 ? 7 DC A N3 1 +ATOM 206 C C4 . DC A 1 11 ? -0.452 1.614 19.860 1.00 0.00 ? 7 DC A C4 1 +ATOM 207 N N4 . DC A 1 11 ? 0.809 1.324 19.730 1.00 0.00 ? 7 DC A N4 1 +ATOM 208 C C5 . DC A 1 11 ? -0.892 2.943 19.621 1.00 0.00 ? 7 DC A C5 1 +ATOM 209 C C6 . DC A 1 11 ? -2.211 3.173 19.677 1.00 0.00 ? 7 DC A C6 1 +ATOM 210 H "H5'" . DC A 1 11 ? -6.356 5.154 18.217 1.00 0.00 ? 7 DC A "H5'" 1 +ATOM 211 H "H5''" . DC A 1 11 ? -7.118 5.881 19.643 1.00 0.00 ? 7 DC A "H5''" 1 +ATOM 212 H "H4'" . DC A 1 11 ? -7.106 3.555 20.018 1.00 0.00 ? 7 DC A "H4'" 1 +ATOM 213 H "H3'" . DC A 1 11 ? -5.781 5.313 21.820 1.00 0.00 ? 7 DC A "H3'" 1 +ATOM 214 H "H2'" . DC A 1 11 ? -3.709 4.555 21.179 1.00 0.00 ? 7 DC A "H2'" 1 +ATOM 215 H "H2''" . DC A 1 11 ? -3.845 3.396 22.442 1.00 0.00 ? 7 DC A "H2''" 1 +ATOM 216 H "H1'" . DC A 1 11 ? -4.991 1.783 20.979 1.00 0.00 ? 7 DC A "H1'" 1 +ATOM 217 H H41 . DC A 1 11 ? 1.055 0.372 19.947 1.00 0.00 ? 7 DC A H41 1 +ATOM 218 H H42 . DC A 1 11 ? 1.466 2.018 19.435 1.00 0.00 ? 7 DC A H42 1 +ATOM 219 H H5 . DC A 1 11 ? -0.266 3.800 19.536 1.00 0.00 ? 7 DC A H5 1 +ATOM 220 H H6 . DC A 1 11 ? -2.567 4.173 19.477 1.00 0.00 ? 7 DC A H6 1 +ATOM 221 P P . DT A 1 12 ? -6.443 3.657 23.998 1.00 0.00 ? 8 DT A P 1 +ATOM 222 O OP1 . DT A 1 12 ? -7.798 3.940 24.515 1.00 0.00 ? 8 DT A OP1 1 +ATOM 223 O OP2 . DT A 1 12 ? -5.316 4.558 24.321 1.00 0.00 ? 8 DT A OP2 1 +ATOM 224 O "O5'" . DT A 1 12 ? -6.017 2.188 24.462 1.00 0.00 ? 8 DT A "O5'" 1 +ATOM 225 C "C5'" . DT A 1 12 ? -6.897 1.086 24.360 1.00 0.00 ? 8 DT A "C5'" 1 +ATOM 226 C "C4'" . DT A 1 12 ? -6.305 -0.155 25.050 1.00 0.00 ? 8 DT A "C4'" 1 +ATOM 227 O "O4'" . DT A 1 12 ? -5.124 -0.610 24.395 1.00 0.00 ? 8 DT A "O4'" 1 +ATOM 228 C "C3'" . DT A 1 12 ? -5.914 0.103 26.517 1.00 0.00 ? 8 DT A "C3'" 1 +ATOM 229 O "O3'" . DT A 1 12 ? -6.036 -1.154 27.173 1.00 0.00 ? 8 DT A "O3'" 1 +ATOM 230 C "C2'" . DT A 1 12 ? -4.475 0.548 26.365 1.00 0.00 ? 8 DT A "C2'" 1 +ATOM 231 C "C1'" . DT A 1 12 ? -4.037 -0.403 25.278 1.00 0.00 ? 8 DT A "C1'" 1 +ATOM 232 N N1 . DT A 1 12 ? -2.842 0.008 24.518 1.00 0.00 ? 8 DT A N1 1 +ATOM 233 C C2 . DT A 1 12 ? -2.032 -1.021 24.056 1.00 0.00 ? 8 DT A C2 1 +ATOM 234 O O2 . DT A 1 12 ? -2.254 -2.210 24.242 1.00 0.00 ? 8 DT A O2 1 +ATOM 235 N N3 . DT A 1 12 ? -0.883 -0.653 23.415 1.00 0.00 ? 8 DT A N3 1 +ATOM 236 C C4 . DT A 1 12 ? -0.467 0.635 23.201 1.00 0.00 ? 8 DT A C4 1 +ATOM 237 O O4 . DT A 1 12 ? 0.669 0.808 22.780 1.00 0.00 ? 8 DT A O4 1 +ATOM 238 C C5 . DT A 1 12 ? -1.459 1.668 23.516 1.00 0.00 ? 8 DT A C5 1 +ATOM 239 C C7 . DT A 1 12 ? -1.169 3.145 23.242 1.00 0.00 ? 8 DT A C7 1 +ATOM 240 C C6 . DT A 1 12 ? -2.616 1.321 24.150 1.00 0.00 ? 8 DT A C6 1 +ATOM 241 H "H5'" . DT A 1 12 ? -7.089 0.856 23.310 1.00 0.00 ? 8 DT A "H5'" 1 +ATOM 242 H "H5''" . DT A 1 12 ? -7.847 1.317 24.847 1.00 0.00 ? 8 DT A "H5''" 1 +ATOM 243 H "H4'" . DT A 1 12 ? -7.061 -0.940 24.991 1.00 0.00 ? 8 DT A "H4'" 1 +ATOM 244 H "H3'" . DT A 1 12 ? -6.455 0.923 26.979 1.00 0.00 ? 8 DT A "H3'" 1 +ATOM 245 H "H2'" . DT A 1 12 ? -4.399 1.590 26.097 1.00 0.00 ? 8 DT A "H2'" 1 +ATOM 246 H "H2''" . DT A 1 12 ? -3.907 0.402 27.257 1.00 0.00 ? 8 DT A "H2''" 1 +ATOM 247 H "H1'" . DT A 1 12 ? -3.843 -1.290 25.881 1.00 0.00 ? 8 DT A "H1'" 1 +ATOM 248 H H3 . DT A 1 12 ? -0.250 -1.404 23.187 1.00 0.00 ? 8 DT A H3 1 +ATOM 249 H H71 . DT A 1 12 ? -1.556 3.772 24.048 1.00 0.00 ? 8 DT A H71 1 +ATOM 250 H H72 . DT A 1 12 ? -0.094 3.311 23.171 1.00 0.00 ? 8 DT A H72 1 +ATOM 251 H H73 . DT A 1 12 ? -1.616 3.462 22.305 1.00 0.00 ? 8 DT A H73 1 +ATOM 252 H H6 . DT A 1 12 ? -3.373 2.072 24.367 1.00 0.00 ? 8 DT A H6 1 +ATOM 253 P P . DT A 1 13 ? -5.813 -1.368 28.745 1.00 0.00 ? 9 DT A P 1 +ATOM 254 O OP1 . DT A 1 13 ? -6.213 -2.753 29.071 1.00 0.00 ? 9 DT A OP1 1 +ATOM 255 O OP2 . DT A 1 13 ? -6.465 -0.241 29.440 1.00 0.00 ? 9 DT A OP2 1 +ATOM 256 O "O5'" . DT A 1 13 ? -4.208 -1.263 28.923 1.00 0.00 ? 9 DT A "O5'" 1 +ATOM 257 C "C5'" . DT A 1 13 ? -3.353 -2.311 28.480 1.00 0.00 ? 9 DT A "C5'" 1 +ATOM 258 C "C4'" . DT A 1 13 ? -1.872 -1.886 28.392 1.00 0.00 ? 9 DT A "C4'" 1 +ATOM 259 O "O4'" . DT A 1 13 ? -1.656 -0.740 27.556 1.00 0.00 ? 9 DT A "O4'" 1 +ATOM 260 C "C3'" . DT A 1 13 ? -1.280 -1.609 29.779 1.00 0.00 ? 9 DT A "C3'" 1 +ATOM 261 O "O3'" . DT A 1 13 ? -0.592 -2.723 30.300 1.00 0.00 ? 9 DT A "O3'" 1 +ATOM 262 C "C2'" . DT A 1 13 ? -0.278 -0.509 29.446 1.00 0.00 ? 9 DT A "C2'" 1 +ATOM 263 C "C1'" . DT A 1 13 ? -0.820 0.205 28.211 1.00 0.00 ? 9 DT A "C1'" 1 +ATOM 264 N N1 . DT A 1 13 ? -1.603 1.433 28.457 1.00 0.00 ? 9 DT A N1 1 +ATOM 265 C C2 . DT A 1 13 ? -1.702 2.348 27.409 1.00 0.00 ? 9 DT A C2 1 +ATOM 266 O O2 . DT A 1 13 ? -0.947 2.368 26.449 1.00 0.00 ? 9 DT A O2 1 +ATOM 267 N N3 . DT A 1 13 ? -2.695 3.290 27.488 1.00 0.00 ? 9 DT A N3 1 +ATOM 268 C C4 . DT A 1 13 ? -3.601 3.406 28.512 1.00 0.00 ? 9 DT A C4 1 +ATOM 269 O O4 . DT A 1 13 ? -4.417 4.316 28.460 1.00 0.00 ? 9 DT A O4 1 +ATOM 270 C C5 . DT A 1 13 ? -3.452 2.419 29.583 1.00 0.00 ? 9 DT A C5 1 +ATOM 271 C C7 . DT A 1 13 ? -4.523 2.216 30.639 1.00 0.00 ? 9 DT A C7 1 +ATOM 272 C C6 . DT A 1 13 ? -2.471 1.483 29.514 1.00 0.00 ? 9 DT A C6 1 +ATOM 273 H "H5'" . DT A 1 13 ? -3.656 -2.681 27.500 1.00 0.00 ? 9 DT A "H5'" 1 +ATOM 274 H "H5''" . DT A 1 13 ? -3.432 -3.148 29.177 1.00 0.00 ? 9 DT A "H5''" 1 +ATOM 275 H "H4'" . DT A 1 13 ? -1.318 -2.710 27.943 1.00 0.00 ? 9 DT A "H4'" 1 +ATOM 276 H "H3'" . DT A 1 13 ? -2.063 -1.294 30.468 1.00 0.00 ? 9 DT A "H3'" 1 +ATOM 277 H "H2'" . DT A 1 13 ? -0.040 0.129 30.286 1.00 0.00 ? 9 DT A "H2'" 1 +ATOM 278 H "H2''" . DT A 1 13 ? 0.647 -0.985 29.151 1.00 0.00 ? 9 DT A "H2''" 1 +ATOM 279 H "H1'" . DT A 1 13 ? 0.033 0.502 27.603 1.00 0.00 ? 9 DT A "H1'" 1 +ATOM 280 H H3 . DT A 1 13 ? -2.814 3.914 26.712 1.00 0.00 ? 9 DT A H3 1 +ATOM 281 H H71 . DT A 1 13 ? -5.297 2.985 30.595 1.00 0.00 ? 9 DT A H71 1 +ATOM 282 H H72 . DT A 1 13 ? -4.973 1.249 30.391 1.00 0.00 ? 9 DT A H72 1 +ATOM 283 H H73 . DT A 1 13 ? -4.097 2.179 31.642 1.00 0.00 ? 9 DT A H73 1 +ATOM 284 H H6 . DT A 1 13 ? -2.381 0.727 30.275 1.00 0.00 ? 9 DT A H6 1 +ATOM 285 P P . DT A 1 14 B -0.032 -2.706 31.804 1.00 0.00 ? 1 DT A P 1 +ATOM 286 O OP1 . DT A 1 14 B -1.184 -2.681 32.728 1.00 0.00 ? 1 DT A OP1 1 +ATOM 287 O OP2 . DT A 1 14 B 1.014 -1.665 31.904 1.00 0.00 ? 1 DT A OP2 1 +ATOM 288 O "O5'" . DT A 1 14 B 0.680 -4.141 31.903 1.00 0.00 ? 1 DT A "O5'" 1 +ATOM 289 C "C5'" . DT A 1 14 B 1.894 -4.406 31.220 1.00 0.00 ? 1 DT A "C5'" 1 +ATOM 290 C "C4'" . DT A 1 14 B 1.799 -5.731 30.444 1.00 0.00 ? 1 DT A "C4'" 1 +ATOM 291 O "O4'" . DT A 1 14 B 0.884 -5.602 29.352 1.00 0.00 ? 1 DT A "O4'" 1 +ATOM 292 C "C3'" . DT A 1 14 B 3.167 -6.094 29.842 1.00 0.00 ? 1 DT A "C3'" 1 +ATOM 293 O "O3'" . DT A 1 14 B 3.314 -7.507 29.863 1.00 0.00 ? 1 DT A "O3'" 1 +ATOM 294 C "C2'" . DT A 1 14 B 3.017 -5.485 28.458 1.00 0.00 ? 1 DT A "C2'" 1 +ATOM 295 C "C1'" . DT A 1 14 B 1.576 -5.832 28.140 1.00 0.00 ? 1 DT A "C1'" 1 +ATOM 296 N N1 . DT A 1 14 B 1.030 -4.985 27.052 1.00 0.00 ? 1 DT A N1 1 +ATOM 297 C C2 . DT A 1 14 B 0.465 -5.636 25.957 1.00 0.00 ? 1 DT A C2 1 +ATOM 298 O O2 . DT A 1 14 B 0.137 -6.814 25.940 1.00 0.00 ? 1 DT A O2 1 +ATOM 299 N N3 . DT A 1 14 B 0.259 -4.882 24.832 1.00 0.00 ? 1 DT A N3 1 +ATOM 300 C C4 . DT A 1 14 B 0.535 -3.546 24.709 1.00 0.00 ? 1 DT A C4 1 +ATOM 301 O O4 . DT A 1 14 B 0.450 -3.049 23.593 1.00 0.00 ? 1 DT A O4 1 +ATOM 302 C C5 . DT A 1 14 B 0.937 -2.872 25.950 1.00 0.00 ? 1 DT A C5 1 +ATOM 303 C C7 . DT A 1 14 B 1.118 -1.352 25.973 1.00 0.00 ? 1 DT A C7 1 +ATOM 304 C C6 . DT A 1 14 B 1.172 -3.610 27.075 1.00 0.00 ? 1 DT A C6 1 +ATOM 305 H "H5'" . DT A 1 14 B 2.678 -4.483 31.975 1.00 0.00 ? 1 DT A "H5'" 1 +ATOM 306 H "H5''" . DT A 1 14 B 2.172 -3.612 30.523 1.00 0.00 ? 1 DT A "H5''" 1 +ATOM 307 H "H4'" . DT A 1 14 B 1.460 -6.512 31.128 1.00 0.00 ? 1 DT A "H4'" 1 +ATOM 308 H "H3'" . DT A 1 14 B 3.986 -5.591 30.351 1.00 0.00 ? 1 DT A "H3'" 1 +ATOM 309 H "H2'" . DT A 1 14 B 3.205 -4.417 28.530 1.00 0.00 ? 1 DT A "H2'" 1 +ATOM 310 H "H2''" . DT A 1 14 B 3.681 -5.920 27.726 1.00 0.00 ? 1 DT A "H2''" 1 +ATOM 311 H "H1'" . DT A 1 14 B 1.601 -6.890 27.881 1.00 0.00 ? 1 DT A "H1'" 1 +ATOM 312 H H3 . DT A 1 14 B -0.119 -5.347 24.031 1.00 0.00 ? 1 DT A H3 1 +ATOM 313 H H71 . DT A 1 14 B 1.669 -1.027 26.856 1.00 0.00 ? 1 DT A H71 1 +ATOM 314 H H72 . DT A 1 14 B 0.139 -0.857 25.948 1.00 0.00 ? 1 DT A H72 1 +ATOM 315 H H73 . DT A 1 14 B 1.680 -1.035 25.091 1.00 0.00 ? 1 DT A H73 1 +ATOM 316 H H6 . DT A 1 14 B 1.487 -3.149 28.014 1.00 0.00 ? 1 DT A H6 1 +ATOM 317 P P . DU A 1 15 B 4.399 -8.283 28.970 1.00 0.00 ? 2 DU A P 1 +ATOM 318 O OP1 . DU A 1 15 B 4.549 -9.666 29.468 1.00 0.00 ? 2 DU A OP1 1 +ATOM 319 O OP2 . DU A 1 15 B 5.585 -7.417 28.801 1.00 0.00 ? 2 DU A OP2 1 +ATOM 320 O "O5'" . DU A 1 15 B 3.610 -8.336 27.572 1.00 0.00 ? 2 DU A "O5'" 1 +ATOM 321 C "C5'" . DU A 1 15 B 4.250 -8.638 26.353 1.00 0.00 ? 2 DU A "C5'" 1 +ATOM 322 C "C4'" . DU A 1 15 B 3.421 -8.072 25.170 1.00 0.00 ? 2 DU A "C4'" 1 +ATOM 323 O "O4'" . DU A 1 15 B 3.025 -6.700 25.291 1.00 0.00 ? 2 DU A "O4'" 1 +ATOM 324 C "C3'" . DU A 1 15 B 4.056 -8.252 23.784 1.00 0.00 ? 2 DU A "C3'" 1 +ATOM 325 O "O3'" . DU A 1 15 B 3.220 -9.106 22.988 1.00 0.00 ? 2 DU A "O3'" 1 +ATOM 326 C "C2'" . DU A 1 15 B 4.135 -6.827 23.205 1.00 0.00 ? 2 DU A "C2'" 1 +ATOM 327 C "C1'" . DU A 1 15 B 3.452 -5.893 24.191 1.00 0.00 ? 2 DU A "C1'" 1 +ATOM 328 N N1 . DU A 1 15 B 4.326 -4.872 24.736 1.00 0.00 ? 2 DU A N1 1 +ATOM 329 C C2 . DU A 1 15 B 4.150 -3.538 24.678 1.00 0.00 ? 2 DU A C2 1 +ATOM 330 O O2 . DU A 1 15 B 3.457 -2.987 23.837 1.00 0.00 ? 2 DU A O2 1 +ATOM 331 N N3 . DU A 1 15 B 4.685 -2.741 25.668 1.00 0.00 ? 2 DU A N3 1 +ATOM 332 C C4 . DU A 1 15 B 5.304 -3.221 26.803 1.00 0.00 ? 2 DU A C4 1 +ATOM 333 O O4 . DU A 1 15 B 5.554 -2.441 27.711 1.00 0.00 ? 2 DU A O4 1 +ATOM 334 C C5 . DU A 1 15 B 5.616 -4.638 26.763 1.00 0.00 ? 2 DU A C5 1 +ATOM 335 C C6 . DU A 1 15 B 5.272 -5.391 25.708 1.00 0.00 ? 2 DU A C6 1 +ATOM 336 H "H5'" . DU A 1 15 B 4.290 -9.724 26.252 1.00 0.00 ? 2 DU A "H5'" 1 +ATOM 337 H "H5''" . DU A 1 15 B 5.275 -8.280 26.327 1.00 0.00 ? 2 DU A "H5''" 1 +ATOM 338 H "H4'" . DU A 1 15 B 2.475 -8.579 25.255 1.00 0.00 ? 2 DU A "H4'" 1 +ATOM 339 H "H3'" . DU A 1 15 B 5.062 -8.687 23.907 1.00 0.00 ? 2 DU A "H3'" 1 +ATOM 340 H "H2'" . DU A 1 15 B 5.175 -6.535 23.011 1.00 0.00 ? 2 DU A "H2'" 1 +ATOM 341 H "H2''" . DU A 1 15 B 3.585 -6.773 22.264 1.00 0.00 ? 2 DU A "H2''" 1 +ATOM 342 H "H1'" . DU A 1 15 B 2.558 -5.452 23.727 1.00 0.00 ? 2 DU A "H1'" 1 +ATOM 343 H H3 . DU A 1 15 B 4.448 -1.769 25.645 1.00 0.00 ? 2 DU A H3 1 +ATOM 344 H H5 . DU A 1 15 B 6.021 -5.218 27.568 1.00 0.00 ? 2 DU A H5 1 +ATOM 345 H H6 . DU A 1 15 B 5.615 -6.402 25.644 1.00 0.00 ? 2 DU A H6 1 +ATOM 346 P P . DG A 1 16 B 3.952 -9.581 21.623 1.00 0.00 ? 3 DG A P 1 +ATOM 347 O OP1 . DG A 1 16 B 5.123 -10.390 22.026 1.00 0.00 ? 3 DG A OP1 1 +ATOM 348 O OP2 . DG A 1 16 B 4.152 -8.417 20.731 1.00 0.00 ? 3 DG A OP2 1 +ATOM 349 O "O5'" . DG A 1 16 B 2.882 -10.571 20.935 1.00 0.00 ? 3 DG A "O5'" 1 +ATOM 350 C "C5'" . DG A 1 16 B 1.836 -10.107 20.093 1.00 0.00 ? 3 DG A "C5'" 1 +ATOM 351 C "C4'" . DG A 1 16 B 0.672 -9.416 20.835 1.00 0.00 ? 3 DG A "C4'" 1 +ATOM 352 O "O4'" . DG A 1 16 B 1.038 -8.102 21.250 1.00 0.00 ? 3 DG A "O4'" 1 +ATOM 353 C "C3'" . DG A 1 16 B -0.545 -9.265 19.900 1.00 0.00 ? 3 DG A "C3'" 1 +ATOM 354 O "O3'" . DG A 1 16 B -1.748 -9.433 20.628 1.00 0.00 ? 3 DG A "O3'" 1 +ATOM 355 C "C2'" . DG A 1 16 B -0.400 -7.823 19.440 1.00 0.00 ? 3 DG A "C2'" 1 +ATOM 356 C "C1'" . DG A 1 16 B 0.110 -7.173 20.720 1.00 0.00 ? 3 DG A "C1'" 1 +ATOM 357 N N9 . DG A 1 16 B 0.777 -5.888 20.440 1.00 0.00 ? 3 DG A N9 1 +ATOM 358 C C8 . DG A 1 16 B 2.025 -5.667 19.912 1.00 0.00 ? 3 DG A C8 1 +ATOM 359 N N7 . DG A 1 16 B 2.338 -4.406 19.796 1.00 0.00 ? 3 DG A N7 1 +ATOM 360 C C5 . DG A 1 16 B 1.188 -3.738 20.235 1.00 0.00 ? 3 DG A C5 1 +ATOM 361 C C6 . DG A 1 16 B 0.841 -2.345 20.276 1.00 0.00 ? 3 DG A C6 1 +ATOM 362 O O6 . DG A 1 16 B 1.543 -1.375 20.025 1.00 0.00 ? 3 DG A O6 1 +ATOM 363 N N1 . DG A 1 16 B -0.470 -2.090 20.636 1.00 0.00 ? 3 DG A N1 1 +ATOM 364 C C2 . DG A 1 16 B -1.340 -3.068 20.984 1.00 0.00 ? 3 DG A C2 1 +ATOM 365 N N2 . DG A 1 16 B -2.583 -2.706 21.130 1.00 0.00 ? 3 DG A N2 1 +ATOM 366 N N3 . DG A 1 16 B -1.058 -4.370 20.978 1.00 0.00 ? 3 DG A N3 1 +ATOM 367 C C4 . DG A 1 16 B 0.220 -4.643 20.597 1.00 0.00 ? 3 DG A C4 1 +ATOM 368 H "H5'" . DG A 1 16 B 1.442 -11.007 19.619 1.00 0.00 ? 3 DG A "H5'" 1 +ATOM 369 H "H5''" . DG A 1 16 B 2.222 -9.462 19.300 1.00 0.00 ? 3 DG A "H5''" 1 +ATOM 370 H "H4'" . DG A 1 16 B 0.402 -10.023 21.702 1.00 0.00 ? 3 DG A "H4'" 1 +ATOM 371 H "H3'" . DG A 1 16 B -0.482 -9.960 19.060 1.00 0.00 ? 3 DG A "H3'" 1 +ATOM 372 H "H2'" . DG A 1 16 B 0.348 -7.766 18.648 1.00 0.00 ? 3 DG A "H2'" 1 +ATOM 373 H "H2''" . DG A 1 16 B -1.339 -7.389 19.105 1.00 0.00 ? 3 DG A "H2''" 1 +ATOM 374 H "H1'" . DG A 1 16 B -0.709 -7.049 21.432 1.00 0.00 ? 3 DG A "H1'" 1 +ATOM 375 H H8 . DG A 1 16 B 2.689 -6.461 19.601 1.00 0.00 ? 3 DG A H8 1 +ATOM 376 H H1 . DG A 1 16 B -0.783 -1.126 20.594 1.00 0.00 ? 3 DG A H1 1 +ATOM 377 H H21 . DG A 1 16 B -2.861 -1.740 21.035 1.00 0.00 ? 3 DG A H21 1 +ATOM 378 H H22 . DG A 1 16 B -3.234 -3.464 21.243 1.00 0.00 ? 3 DG A H22 1 +ATOM 379 P P . DG A 1 17 B -3.153 -9.683 19.883 1.00 0.00 ? 4 DG A P 1 +ATOM 380 O OP1 . DG A 1 17 B -4.084 -10.270 20.870 1.00 0.00 ? 4 DG A OP1 1 +ATOM 381 O OP2 . DG A 1 17 B -2.870 -10.409 18.626 1.00 0.00 ? 4 DG A OP2 1 +ATOM 382 O "O5'" . DG A 1 17 B -3.685 -8.208 19.501 1.00 0.00 ? 4 DG A "O5'" 1 +ATOM 383 C "C5'" . DG A 1 17 B -4.457 -7.437 20.409 1.00 0.00 ? 4 DG A "C5'" 1 +ATOM 384 C "C4'" . DG A 1 17 B -4.989 -6.133 19.779 1.00 0.00 ? 4 DG A "C4'" 1 +ATOM 385 O "O4'" . DG A 1 17 B -3.973 -5.130 19.696 1.00 0.00 ? 4 DG A "O4'" 1 +ATOM 386 C "C3'" . DG A 1 17 B -5.548 -6.329 18.352 1.00 0.00 ? 4 DG A "C3'" 1 +ATOM 387 O "O3'" . DG A 1 17 B -6.729 -5.555 18.199 1.00 0.00 ? 4 DG A "O3'" 1 +ATOM 388 C "C2'" . DG A 1 17 B -4.405 -5.739 17.534 1.00 0.00 ? 4 DG A "C2'" 1 +ATOM 389 C "C1'" . DG A 1 17 B -4.062 -4.543 18.411 1.00 0.00 ? 4 DG A "C1'" 1 +ATOM 390 N N9 . DG A 1 17 B -2.804 -3.879 18.020 1.00 0.00 ? 4 DG A N9 1 +ATOM 391 C C8 . DG A 1 17 B -1.568 -4.422 17.794 1.00 0.00 ? 4 DG A C8 1 +ATOM 392 N N7 . DG A 1 17 B -0.648 -3.552 17.474 1.00 0.00 ? 4 DG A N7 1 +ATOM 393 C C5 . DG A 1 17 B -1.340 -2.333 17.458 1.00 0.00 ? 4 DG A C5 1 +ATOM 394 C C6 . DG A 1 17 B -0.936 -0.988 17.146 1.00 0.00 ? 4 DG A C6 1 +ATOM 395 O O6 . DG A 1 17 B 0.176 -0.567 16.852 1.00 0.00 ? 4 DG A O6 1 +ATOM 396 N N1 . DG A 1 17 B -1.965 -0.064 17.163 1.00 0.00 ? 4 DG A N1 1 +ATOM 397 C C2 . DG A 1 17 B -3.241 -0.391 17.485 1.00 0.00 ? 4 DG A C2 1 +ATOM 398 N N2 . DG A 1 17 B -4.144 0.541 17.397 1.00 0.00 ? 4 DG A N2 1 +ATOM 399 N N3 . DG A 1 17 B -3.654 -1.612 17.792 1.00 0.00 ? 4 DG A N3 1 +ATOM 400 C C4 . DG A 1 17 B -2.663 -2.542 17.762 1.00 0.00 ? 4 DG A C4 1 +ATOM 401 H "H5'" . DG A 1 17 B -3.871 -7.199 21.299 1.00 0.00 ? 4 DG A "H5'" 1 +ATOM 402 H "H5''" . DG A 1 17 B -5.330 -8.018 20.715 1.00 0.00 ? 4 DG A "H5''" 1 +ATOM 403 H "H4'" . DG A 1 17 B -5.780 -5.767 20.440 1.00 0.00 ? 4 DG A "H4'" 1 +ATOM 404 H "H3'" . DG A 1 17 B -5.732 -7.380 18.116 1.00 0.00 ? 4 DG A "H3'" 1 +ATOM 405 H "H2'" . DG A 1 17 B -3.579 -6.449 17.506 1.00 0.00 ? 4 DG A "H2'" 1 +ATOM 406 H "H2''" . DG A 1 17 B -4.685 -5.478 16.521 1.00 0.00 ? 4 DG A "H2''" 1 +ATOM 407 H "H1'" . DG A 1 17 B -4.882 -3.822 18.385 1.00 0.00 ? 4 DG A "H1'" 1 +ATOM 408 H H8 . DG A 1 17 B -1.375 -5.479 17.877 1.00 0.00 ? 4 DG A H8 1 +ATOM 409 H H1 . DG A 1 17 B -1.715 0.887 16.915 1.00 0.00 ? 4 DG A H1 1 +ATOM 410 H H21 . DG A 1 17 B -3.901 1.481 17.128 1.00 0.00 ? 4 DG A H21 1 +ATOM 411 H H22 . DG A 1 17 B -5.089 0.229 17.540 1.00 0.00 ? 4 DG A H22 1 +ATOM 412 P P . DA A 1 18 B -7.574 -5.526 16.827 1.00 0.00 ? 5 DA A P 1 +ATOM 413 O OP1 . DA A 1 18 B -9.002 -5.677 17.179 1.00 0.00 ? 5 DA A OP1 1 +ATOM 414 O OP2 . DA A 1 18 B -6.953 -6.467 15.872 1.00 0.00 ? 5 DA A OP2 1 +ATOM 415 O "O5'" . DA A 1 18 B -7.351 -4.024 16.267 1.00 0.00 ? 5 DA A "O5'" 1 +ATOM 416 C "C5'" . DA A 1 18 B -7.971 -2.906 16.889 1.00 0.00 ? 5 DA A "C5'" 1 +ATOM 417 C "C4'" . DA A 1 18 B -7.842 -1.608 16.063 1.00 0.00 ? 5 DA A "C4'" 1 +ATOM 418 O "O4'" . DA A 1 18 B -6.497 -1.141 16.029 1.00 0.00 ? 5 DA A "O4'" 1 +ATOM 419 C "C3'" . DA A 1 18 B -8.322 -1.765 14.607 1.00 0.00 ? 5 DA A "C3'" 1 +ATOM 420 O "O3'" . DA A 1 18 B -9.088 -0.640 14.213 1.00 0.00 ? 5 DA A "O3'" 1 +ATOM 421 C "C2'" . DA A 1 18 B -7.002 -1.816 13.864 1.00 0.00 ? 5 DA A "C2'" 1 +ATOM 422 C "C1'" . DA A 1 18 B -6.153 -0.851 14.688 1.00 0.00 ? 5 DA A "C1'" 1 +ATOM 423 N N9 . DA A 1 18 B -4.721 -1.138 14.509 1.00 0.00 ? 5 DA A N9 1 +ATOM 424 C C8 . DA A 1 18 B -4.094 -2.343 14.667 1.00 0.00 ? 5 DA A C8 1 +ATOM 425 N N7 . DA A 1 18 B -2.808 -2.319 14.452 1.00 0.00 ? 5 DA A N7 1 +ATOM 426 C C5 . DA A 1 18 B -2.575 -0.979 14.123 1.00 0.00 ? 5 DA A C5 1 +ATOM 427 C C6 . DA A 1 18 B -1.436 -0.226 13.763 1.00 0.00 ? 5 DA A C6 1 +ATOM 428 N N6 . DA A 1 18 B -0.223 -0.729 13.672 1.00 0.00 ? 5 DA A N6 1 +ATOM 429 N N1 . DA A 1 18 B -1.530 1.076 13.467 1.00 0.00 ? 5 DA A N1 1 +ATOM 430 C C2 . DA A 1 18 B -2.725 1.650 13.557 1.00 0.00 ? 5 DA A C2 1 +ATOM 431 N N3 . DA A 1 18 B -3.877 1.073 13.883 1.00 0.00 ? 5 DA A N3 1 +ATOM 432 C C4 . DA A 1 18 B -3.736 -0.253 14.156 1.00 0.00 ? 5 DA A C4 1 +ATOM 433 H "H5'" . DA A 1 18 B -7.535 -2.746 17.877 1.00 0.00 ? 5 DA A "H5'" 1 +ATOM 434 H "H5''" . DA A 1 18 B -9.039 -3.097 17.011 1.00 0.00 ? 5 DA A "H5''" 1 +ATOM 435 H "H4'" . DA A 1 18 B -8.447 -0.847 16.561 1.00 0.00 ? 5 DA A "H4'" 1 +ATOM 436 H "H3'" . DA A 1 18 B -8.863 -2.699 14.462 1.00 0.00 ? 5 DA A "H3'" 1 +ATOM 437 H "H2'" . DA A 1 18 B -6.645 -2.843 13.918 1.00 0.00 ? 5 DA A "H2'" 1 +ATOM 438 H "H2''" . DA A 1 18 B -7.101 -1.533 12.823 1.00 0.00 ? 5 DA A "H2''" 1 +ATOM 439 H "H1'" . DA A 1 18 B -6.408 0.185 14.449 1.00 0.00 ? 5 DA A "H1'" 1 +ATOM 440 H H8 . DA A 1 18 B -4.643 -3.231 14.933 1.00 0.00 ? 5 DA A H8 1 +ATOM 441 H H61 . DA A 1 18 B 0.523 -0.111 13.391 1.00 0.00 ? 5 DA A H61 1 +ATOM 442 H H62 . DA A 1 18 B -0.071 -1.690 13.924 1.00 0.00 ? 5 DA A H62 1 +ATOM 443 H H2 . DA A 1 18 B -2.773 2.701 13.322 1.00 0.00 ? 5 DA A H2 1 +ATOM 444 P P . DT A 1 19 B -9.798 -0.550 12.769 1.00 0.00 ? 6 DT A P 1 +ATOM 445 O OP1 . DT A 1 19 B -11.172 -0.042 12.968 1.00 0.00 ? 6 DT A OP1 1 +ATOM 446 O OP2 . DT A 1 19 B -9.581 -1.826 12.055 1.00 0.00 ? 6 DT A OP2 1 +ATOM 447 O "O5'" . DT A 1 19 B -8.944 0.592 12.016 1.00 0.00 ? 6 DT A "O5'" 1 +ATOM 448 C "C5'" . DT A 1 19 B -9.069 1.956 12.387 1.00 0.00 ? 6 DT A "C5'" 1 +ATOM 449 C "C4'" . DT A 1 19 B -8.162 2.876 11.552 1.00 0.00 ? 6 DT A "C4'" 1 +ATOM 450 O "O4'" . DT A 1 19 B -6.792 2.552 11.768 1.00 0.00 ? 6 DT A "O4'" 1 +ATOM 451 C "C3'" . DT A 1 19 B -8.430 2.817 10.033 1.00 0.00 ? 6 DT A "C3'" 1 +ATOM 452 O "O3'" . DT A 1 19 B -8.475 4.124 9.488 1.00 0.00 ? 6 DT A "O3'" 1 +ATOM 453 C "C2'" . DT A 1 19 B -7.201 2.065 9.536 1.00 0.00 ? 6 DT A "C2'" 1 +ATOM 454 C "C1'" . DT A 1 19 B -6.142 2.555 10.517 1.00 0.00 ? 6 DT A "C1'" 1 +ATOM 455 N N1 . DT A 1 19 B -4.955 1.663 10.571 1.00 0.00 ? 6 DT A N1 1 +ATOM 456 C C2 . DT A 1 19 B -3.711 2.221 10.288 1.00 0.00 ? 6 DT A C2 1 +ATOM 457 O O2 . DT A 1 19 B -3.524 3.397 10.015 1.00 0.00 ? 6 DT A O2 1 +ATOM 458 N N3 . DT A 1 19 B -2.638 1.371 10.287 1.00 0.00 ? 6 DT A N3 1 +ATOM 459 C C4 . DT A 1 19 B -2.687 0.019 10.506 1.00 0.00 ? 6 DT A C4 1 +ATOM 460 O O4 . DT A 1 19 B -1.654 -0.624 10.379 1.00 0.00 ? 6 DT A O4 1 +ATOM 461 C C5 . DT A 1 19 B -4.003 -0.512 10.859 1.00 0.00 ? 6 DT A C5 1 +ATOM 462 C C7 . DT A 1 19 B -4.202 -2.004 11.132 1.00 0.00 ? 6 DT A C7 1 +ATOM 463 C C6 . DT A 1 19 B -5.077 0.322 10.888 1.00 0.00 ? 6 DT A C6 1 +ATOM 464 H "H5'" . DT A 1 19 B -8.806 2.078 13.440 1.00 0.00 ? 6 DT A "H5'" 1 +ATOM 465 H "H5''" . DT A 1 19 B -10.102 2.284 12.249 1.00 0.00 ? 6 DT A "H5''" 1 +ATOM 466 H "H4'" . DT A 1 19 B -8.325 3.897 11.902 1.00 0.00 ? 6 DT A "H4'" 1 +ATOM 467 H "H3'" . DT A 1 19 B -9.354 2.275 9.816 1.00 0.00 ? 6 DT A "H3'" 1 +ATOM 468 H "H2'" . DT A 1 19 B -7.398 1.005 9.639 1.00 0.00 ? 6 DT A "H2'" 1 +ATOM 469 H "H2''" . DT A 1 19 B -6.946 2.285 8.502 1.00 0.00 ? 6 DT A "H2''" 1 +ATOM 470 H "H1'" . DT A 1 19 B -5.908 3.585 10.254 1.00 0.00 ? 6 DT A "H1'" 1 +ATOM 471 H H3 . DT A 1 19 B -1.747 1.787 10.049 1.00 0.00 ? 6 DT A H3 1 +ATOM 472 H H71 . DT A 1 19 B -4.286 -2.538 10.184 1.00 0.00 ? 6 DT A H71 1 +ATOM 473 H H72 . DT A 1 19 B -3.353 -2.411 11.683 1.00 0.00 ? 6 DT A H72 1 +ATOM 474 H H73 . DT A 1 19 B -5.104 -2.197 11.713 1.00 0.00 ? 6 DT A H73 1 +ATOM 475 H H6 . DT A 1 19 B -6.039 -0.075 11.181 1.00 0.00 ? 6 DT A H6 1 +ATOM 476 P P . DC A 1 20 B -8.818 4.385 7.936 1.00 0.00 ? 7 DC A P 1 +ATOM 477 O OP1 . DC A 1 20 B -9.707 5.564 7.859 1.00 0.00 ? 7 DC A OP1 1 +ATOM 478 O OP2 . DC A 1 20 B -9.236 3.106 7.324 1.00 0.00 ? 7 DC A OP2 1 +ATOM 479 O "O5'" . DC A 1 20 B -7.389 4.792 7.311 1.00 0.00 ? 7 DC A "O5'" 1 +ATOM 480 C "C5'" . DC A 1 20 B -6.810 6.059 7.583 1.00 0.00 ? 7 DC A "C5'" 1 +ATOM 481 C "C4'" . DC A 1 20 B -5.477 6.262 6.842 1.00 0.00 ? 7 DC A "C4'" 1 +ATOM 482 O "O4'" . DC A 1 20 B -4.483 5.366 7.331 1.00 0.00 ? 7 DC A "O4'" 1 +ATOM 483 C "C3'" . DC A 1 20 B -5.580 6.064 5.315 1.00 0.00 ? 7 DC A "C3'" 1 +ATOM 484 O "O3'" . DC A 1 20 B -4.884 7.103 4.650 1.00 0.00 ? 7 DC A "O3'" 1 +ATOM 485 C "C2'" . DC A 1 20 B -4.854 4.734 5.143 1.00 0.00 ? 7 DC A "C2'" 1 +ATOM 486 C "C1'" . DC A 1 20 B -3.780 4.855 6.220 1.00 0.00 ? 7 DC A "C1'" 1 +ATOM 487 N N1 . DC A 1 20 B -3.200 3.534 6.559 1.00 0.00 ? 7 DC A N1 1 +ATOM 488 C C2 . DC A 1 20 B -1.831 3.334 6.395 1.00 0.00 ? 7 DC A C2 1 +ATOM 489 O O2 . DC A 1 20 B -1.085 4.240 6.047 1.00 0.00 ? 7 DC A O2 1 +ATOM 490 N N3 . DC A 1 20 B -1.285 2.109 6.605 1.00 0.00 ? 7 DC A N3 1 +ATOM 491 C C4 . DC A 1 20 B -2.071 1.132 7.018 1.00 0.00 ? 7 DC A C4 1 +ATOM 492 N N4 . DC A 1 20 B -1.495 -0.020 7.208 1.00 0.00 ? 7 DC A N4 1 +ATOM 493 C C5 . DC A 1 20 B -3.474 1.277 7.216 1.00 0.00 ? 7 DC A C5 1 +ATOM 494 C C6 . DC A 1 20 B -3.998 2.503 6.986 1.00 0.00 ? 7 DC A C6 1 +ATOM 495 H "H5'" . DC A 1 20 B -6.635 6.167 8.656 1.00 0.00 ? 7 DC A "H5'" 1 +ATOM 496 H "H5''" . DC A 1 20 B -7.490 6.851 7.262 1.00 0.00 ? 7 DC A "H5''" 1 +ATOM 497 H "H4'" . DC A 1 20 B -5.142 7.280 7.052 1.00 0.00 ? 7 DC A "H4'" 1 +ATOM 498 H "H3'" . DC A 1 20 B -6.621 6.013 4.982 1.00 0.00 ? 7 DC A "H3'" 1 +ATOM 499 H "H2'" . DC A 1 20 B -5.561 3.932 5.356 1.00 0.00 ? 7 DC A "H2'" 1 +ATOM 500 H "H2''" . DC A 1 20 B -4.437 4.594 4.149 1.00 0.00 ? 7 DC A "H2''" 1 +ATOM 501 H "H1'" . DC A 1 20 B -3.042 5.598 5.908 1.00 0.00 ? 7 DC A "H1'" 1 +ATOM 502 H H41 . DC A 1 20 B -0.506 -0.022 7.011 1.00 0.00 ? 7 DC A H41 1 +ATOM 503 H H42 . DC A 1 20 B -1.996 -0.803 7.580 1.00 0.00 ? 7 DC A H42 1 +ATOM 504 H H5 . DC A 1 20 B -4.112 0.471 7.538 1.00 0.00 ? 7 DC A H5 1 +ATOM 505 H H6 . DC A 1 20 B -5.057 2.670 7.140 1.00 0.00 ? 7 DC A H6 1 +ATOM 506 P P . DC A 1 21 B -4.896 7.255 3.048 1.00 0.00 ? 8 DC A P 1 +ATOM 507 O OP1 . DC A 1 21 B -5.321 8.633 2.722 1.00 0.00 ? 8 DC A OP1 1 +ATOM 508 O OP2 . DC A 1 21 B -5.608 6.101 2.461 1.00 0.00 ? 8 DC A OP2 1 +ATOM 509 O "O5'" . DC A 1 21 B -3.335 7.108 2.683 1.00 0.00 ? 8 DC A "O5'" 1 +ATOM 510 C "C5'" . DC A 1 21 B -2.396 8.098 3.072 1.00 0.00 ? 8 DC A "C5'" 1 +ATOM 511 C "C4'" . DC A 1 21 B -0.970 7.740 2.621 1.00 0.00 ? 8 DC A "C4'" 1 +ATOM 512 O "O4'" . DC A 1 21 B -0.544 6.532 3.249 1.00 0.00 ? 8 DC A "O4'" 1 +ATOM 513 C "C3'" . DC A 1 21 B -0.847 7.558 1.096 1.00 0.00 ? 8 DC A "C3'" 1 +ATOM 514 O "O3'" . DC A 1 21 B 0.361 8.127 0.620 1.00 0.00 ? 8 DC A "O3'" 1 +ATOM 515 C "C2'" . DC A 1 21 B -0.821 6.046 0.986 1.00 0.00 ? 8 DC A "C2'" 1 +ATOM 516 C "C1'" . DC A 1 21 B -0.081 5.641 2.255 1.00 0.00 ? 8 DC A "C1'" 1 +ATOM 517 N N1 . DC A 1 21 B -0.412 4.248 2.651 1.00 0.00 ? 8 DC A N1 1 +ATOM 518 C C2 . DC A 1 21 B 0.607 3.302 2.712 1.00 0.00 ? 8 DC A C2 1 +ATOM 519 O O2 . DC A 1 21 B 1.762 3.578 2.421 1.00 0.00 ? 8 DC A O2 1 +ATOM 520 N N3 . DC A 1 21 B 0.342 2.026 3.094 1.00 0.00 ? 8 DC A N3 1 +ATOM 521 C C4 . DC A 1 21 B -0.894 1.718 3.448 1.00 0.00 ? 8 DC A C4 1 +ATOM 522 N N4 . DC A 1 21 B -1.093 0.484 3.808 1.00 0.00 ? 8 DC A N4 1 +ATOM 523 C C5 . DC A 1 21 B -1.987 2.624 3.362 1.00 0.00 ? 8 DC A C5 1 +ATOM 524 C C6 . DC A 1 21 B -1.701 3.885 2.961 1.00 0.00 ? 8 DC A C6 1 +ATOM 525 H "H5'" . DC A 1 21 B -2.397 8.205 4.159 1.00 0.00 ? 8 DC A "H5'" 1 +ATOM 526 H "H5''" . DC A 1 21 B -2.665 9.059 2.629 1.00 0.00 ? 8 DC A "H5''" 1 +ATOM 527 H "H4'" . DC A 1 21 B -0.311 8.548 2.943 1.00 0.00 ? 8 DC A "H4'" 1 +ATOM 528 H "H3'" . DC A 1 21 B -1.714 7.956 0.566 1.00 0.00 ? 8 DC A "H3'" 1 +ATOM 529 H "H2'" . DC A 1 21 B -1.847 5.681 0.959 1.00 0.00 ? 8 DC A "H2'" 1 +ATOM 530 H "H2''" . DC A 1 21 B -0.292 5.737 0.099 1.00 0.00 ? 8 DC A "H2''" 1 +ATOM 531 H "H1'" . DC A 1 21 B 0.986 5.827 2.118 1.00 0.00 ? 8 DC A "H1'" 1 +ATOM 532 H H41 . DC A 1 21 B -0.263 -0.086 3.809 1.00 0.00 ? 8 DC A H41 1 +ATOM 533 H H42 . DC A 1 21 B -2.003 0.155 4.062 1.00 0.00 ? 8 DC A H42 1 +ATOM 534 H H5 . DC A 1 21 B -3.001 2.341 3.591 1.00 0.00 ? 8 DC A H5 1 +ATOM 535 H H6 . DC A 1 21 B -2.508 4.597 2.846 1.00 0.00 ? 8 DC A H6 1 +ATOM 536 P P . DT A 1 22 B 0.681 8.255 -0.956 1.00 0.00 ? 9 DT A P 1 +ATOM 537 O OP1 . DT A 1 22 B 1.775 9.235 -1.123 1.00 0.00 ? 9 DT A OP1 1 +ATOM 538 O OP2 . DT A 1 22 B -0.595 8.450 -1.675 1.00 0.00 ? 9 DT A OP2 1 +ATOM 539 O "O5'" . DT A 1 22 B 1.257 6.803 -1.353 1.00 0.00 ? 9 DT A "O5'" 1 +ATOM 540 C "C5'" . DT A 1 22 B 2.543 6.385 -0.931 1.00 0.00 ? 9 DT A "C5'" 1 +ATOM 541 C "C4'" . DT A 1 22 B 2.838 4.927 -1.320 1.00 0.00 ? 9 DT A "C4'" 1 +ATOM 542 O "O4'" . DT A 1 22 B 2.118 3.970 -0.553 1.00 0.00 ? 9 DT A "O4'" 1 +ATOM 543 C "C3'" . DT A 1 22 B 2.576 4.566 -2.794 1.00 0.00 ? 9 DT A "C3'" 1 +ATOM 544 O "O3'" . DT A 1 22 B 3.765 4.234 -3.483 1.00 0.00 ? 9 DT A "O3'" 1 +ATOM 545 C "C2'" . DT A 1 22 B 1.681 3.336 -2.709 1.00 0.00 ? 9 DT A "C2'" 1 +ATOM 546 C "C1'" . DT A 1 22 B 2.072 2.796 -1.338 1.00 0.00 ? 9 DT A "C1'" 1 +ATOM 547 N N1 . DT A 1 22 B 1.061 1.862 -0.785 1.00 0.00 ? 9 DT A N1 1 +ATOM 548 C C2 . DT A 1 22 B 1.483 0.578 -0.455 1.00 0.00 ? 9 DT A C2 1 +ATOM 549 O O2 . DT A 1 22 B 2.603 0.138 -0.670 1.00 0.00 ? 9 DT A O2 1 +ATOM 550 N N3 . DT A 1 22 B 0.559 -0.242 0.126 1.00 0.00 ? 9 DT A N3 1 +ATOM 551 C C4 . DT A 1 22 B -0.734 0.081 0.435 1.00 0.00 ? 9 DT A C4 1 +ATOM 552 O O4 . DT A 1 22 B -1.415 -0.777 0.984 1.00 0.00 ? 9 DT A O4 1 +ATOM 553 C C5 . DT A 1 22 B -1.146 1.431 0.031 1.00 0.00 ? 9 DT A C5 1 +ATOM 554 C C7 . DT A 1 22 B -2.572 1.940 0.255 1.00 0.00 ? 9 DT A C7 1 +ATOM 555 C C6 . DT A 1 22 B -0.244 2.260 -0.563 1.00 0.00 ? 9 DT A C6 1 +ATOM 556 H "H5'" . DT A 1 22 B 2.641 6.479 0.153 1.00 0.00 ? 9 DT A "H5'" 1 +ATOM 557 H "H5''" . DT A 1 22 B 3.295 7.021 -1.404 1.00 0.00 ? 9 DT A "H5''" 1 +ATOM 558 H "H4'" . DT A 1 22 B 3.896 4.755 -1.107 1.00 0.00 ? 9 DT A "H4'" 1 +ATOM 559 H "H3'" . DT A 1 22 B 2.021 5.349 -3.309 1.00 0.00 ? 9 DT A "H3'" 1 +ATOM 560 H "H2'" . DT A 1 22 B 0.644 3.658 -2.767 1.00 0.00 ? 9 DT A "H2'" 1 +ATOM 561 H "H2''" . DT A 1 22 B 1.889 2.617 -3.502 1.00 0.00 ? 9 DT A "H2''" 1 +ATOM 562 H "H1'" . DT A 1 22 B 3.079 2.372 -1.390 1.00 0.00 ? 9 DT A "H1'" 1 +ATOM 563 H H3 . DT A 1 22 B 0.857 -1.185 0.327 1.00 0.00 ? 9 DT A H3 1 +ATOM 564 H H71 . DT A 1 22 B -2.566 2.964 0.626 1.00 0.00 ? 9 DT A H71 1 +ATOM 565 H H72 . DT A 1 22 B -3.128 1.945 -0.679 1.00 0.00 ? 9 DT A H72 1 +ATOM 566 H H73 . DT A 1 22 B -3.105 1.316 0.974 1.00 0.00 ? 9 DT A H73 1 +ATOM 567 H H6 . DT A 1 22 B -0.557 3.245 -0.882 1.00 0.00 ? 9 DT A H6 1 +ATOM 568 O "O5'" . DA A 1 5 ? 7.616 -10.097 0.348 1.00 0.00 ? 1 DA A "O5'" 2 +ATOM 569 C "C5'" . DA A 1 5 ? 6.304 -9.791 0.796 1.00 0.00 ? 1 DA A "C5'" 2 +ATOM 570 C "C4'" . DA A 1 5 ? 5.618 -8.772 -0.128 1.00 0.00 ? 1 DA A "C4'" 2 +ATOM 571 O "O4'" . DA A 1 5 ? 4.331 -8.382 0.342 1.00 0.00 ? 1 DA A "O4'" 2 +ATOM 572 C "C3'" . DA A 1 5 ? 6.413 -7.468 -0.180 1.00 0.00 ? 1 DA A "C3'" 2 +ATOM 573 O "O3'" . DA A 1 5 ? 7.243 -7.423 -1.317 1.00 0.00 ? 1 DA A "O3'" 2 +ATOM 574 C "C2'" . DA A 1 5 ? 5.362 -6.367 -0.252 1.00 0.00 ? 1 DA A "C2'" 2 +ATOM 575 C "C1'" . DA A 1 5 ? 4.034 -7.125 -0.246 1.00 0.00 ? 1 DA A "C1'" 2 +ATOM 576 N N9 . DA A 1 5 ? 2.957 -6.414 0.476 1.00 0.00 ? 1 DA A N9 2 +ATOM 577 C C8 . DA A 1 5 ? 2.003 -6.914 1.330 1.00 0.00 ? 1 DA A C8 2 +ATOM 578 N N7 . DA A 1 5 ? 1.106 -6.042 1.703 1.00 0.00 ? 1 DA A N7 2 +ATOM 579 C C5 . DA A 1 5 ? 1.507 -4.868 1.051 1.00 0.00 ? 1 DA A C5 2 +ATOM 580 C C6 . DA A 1 5 ? 1.015 -3.543 0.957 1.00 0.00 ? 1 DA A C6 2 +ATOM 581 N N6 . DA A 1 5 ? -0.083 -3.102 1.538 1.00 0.00 ? 1 DA A N6 2 +ATOM 582 N N1 . DA A 1 5 ? 1.619 -2.633 0.182 1.00 0.00 ? 1 DA A N1 2 +ATOM 583 C C2 . DA A 1 5 ? 2.705 -3.001 -0.485 1.00 0.00 ? 1 DA A C2 2 +ATOM 584 N N3 . DA A 1 5 ? 3.272 -4.200 -0.503 1.00 0.00 ? 1 DA A N3 2 +ATOM 585 C C4 . DA A 1 5 ? 2.630 -5.093 0.301 1.00 0.00 ? 1 DA A C4 2 +ATOM 586 H "H5'" . DA A 1 5 ? 6.357 -9.401 1.813 1.00 0.00 ? 1 DA A "H5'" 2 +ATOM 587 H "H5''" . DA A 1 5 ? 5.719 -10.712 0.810 1.00 0.00 ? 1 DA A "H5''" 2 +ATOM 588 H "H4'" . DA A 1 5 ? 5.535 -9.205 -1.129 1.00 0.00 ? 1 DA A "H4'" 2 +ATOM 589 H "H3'" . DA A 1 5 ? 6.953 -7.382 0.765 1.00 0.00 ? 1 DA A "H3'" 2 +ATOM 590 H "H2'" . DA A 1 5 ? 5.473 -5.718 0.617 1.00 0.00 ? 1 DA A "H2'" 2 +ATOM 591 H "H2''" . DA A 1 5 ? 5.460 -5.763 -1.156 1.00 0.00 ? 1 DA A "H2''" 2 +ATOM 592 H "H1'" . DA A 1 5 ? 3.701 -7.279 -1.276 1.00 0.00 ? 1 DA A "H1'" 2 +ATOM 593 H H8 . DA A 1 5 ? 1.970 -7.947 1.652 1.00 0.00 ? 1 DA A H8 2 +ATOM 594 H H61 . DA A 1 5 ? -0.321 -2.130 1.384 1.00 0.00 ? 1 DA A H61 2 +ATOM 595 H H62 . DA A 1 5 ? -0.573 -3.692 2.186 1.00 0.00 ? 1 DA A H62 2 +ATOM 596 H H2 . DA A 1 5 ? 3.166 -2.247 -1.103 1.00 0.00 ? 1 DA A H2 2 +ATOM 597 H "HO5'" . DA A 1 5 ? 8.168 -9.291 0.314 1.00 0.00 ? 1 DA A "HO5'" 2 +ATOM 598 P P . DG A 1 6 ? 8.800 -7.132 -1.142 1.00 0.00 ? 2 DG A P 2 +ATOM 599 O OP1 . DG A 1 6 ? 9.452 -7.276 -2.459 1.00 0.00 ? 2 DG A OP1 2 +ATOM 600 O OP2 . DG A 1 6 ? 9.227 -7.971 0.005 1.00 0.00 ? 2 DG A OP2 2 +ATOM 601 O "O5'" . DG A 1 6 ? 8.782 -5.573 -0.723 1.00 0.00 ? 2 DG A "O5'" 2 +ATOM 602 C "C5'" . DG A 1 6 ? 8.948 -5.125 0.615 1.00 0.00 ? 2 DG A "C5'" 2 +ATOM 603 C "C4'" . DG A 1 6 ? 8.597 -3.626 0.716 1.00 0.00 ? 2 DG A "C4'" 2 +ATOM 604 O "O4'" . DG A 1 6 ? 7.185 -3.412 0.771 1.00 0.00 ? 2 DG A "O4'" 2 +ATOM 605 C "C3'" . DG A 1 6 ? 9.188 -2.937 1.966 1.00 0.00 ? 2 DG A "C3'" 2 +ATOM 606 O "O3'" . DG A 1 6 ? 9.887 -1.773 1.569 1.00 0.00 ? 2 DG A "O3'" 2 +ATOM 607 C "C2'" . DG A 1 6 ? 7.933 -2.602 2.772 1.00 0.00 ? 2 DG A "C2'" 2 +ATOM 608 C "C1'" . DG A 1 6 ? 6.943 -2.327 1.650 1.00 0.00 ? 2 DG A "C1'" 2 +ATOM 609 N N9 . DG A 1 6 ? 5.548 -2.348 2.141 1.00 0.00 ? 2 DG A N9 2 +ATOM 610 C C8 . DG A 1 6 ? 4.820 -3.414 2.603 1.00 0.00 ? 2 DG A C8 2 +ATOM 611 N N7 . DG A 1 6 ? 3.588 -3.136 2.917 1.00 0.00 ? 2 DG A N7 2 +ATOM 612 C C5 . DG A 1 6 ? 3.501 -1.759 2.686 1.00 0.00 ? 2 DG A C5 2 +ATOM 613 C C6 . DG A 1 6 ? 2.427 -0.825 2.863 1.00 0.00 ? 2 DG A C6 2 +ATOM 614 O O6 . DG A 1 6 ? 1.282 -1.039 3.235 1.00 0.00 ? 2 DG A O6 2 +ATOM 615 N N1 . DG A 1 6 ? 2.750 0.483 2.559 1.00 0.00 ? 2 DG A N1 2 +ATOM 616 C C2 . DG A 1 6 ? 3.979 0.855 2.125 1.00 0.00 ? 2 DG A C2 2 +ATOM 617 N N2 . DG A 1 6 ? 4.175 2.131 1.947 1.00 0.00 ? 2 DG A N2 2 +ATOM 618 N N3 . DG A 1 6 ? 5.003 0.026 1.948 1.00 0.00 ? 2 DG A N3 2 +ATOM 619 C C4 . DG A 1 6 ? 4.704 -1.270 2.236 1.00 0.00 ? 2 DG A C4 2 +ATOM 620 H "H5'" . DG A 1 6 ? 9.995 -5.272 0.886 1.00 0.00 ? 2 DG A "H5'" 2 +ATOM 621 H "H5''" . DG A 1 6 ? 8.325 -5.678 1.319 1.00 0.00 ? 2 DG A "H5''" 2 +ATOM 622 H "H4'" . DG A 1 6 ? 8.987 -3.131 -0.178 1.00 0.00 ? 2 DG A "H4'" 2 +ATOM 623 H "H3'" . DG A 1 6 ? 9.844 -3.610 2.524 1.00 0.00 ? 2 DG A "H3'" 2 +ATOM 624 H "H2'" . DG A 1 6 ? 7.631 -3.474 3.352 1.00 0.00 ? 2 DG A "H2'" 2 +ATOM 625 H "H2''" . DG A 1 6 ? 8.049 -1.745 3.435 1.00 0.00 ? 2 DG A "H2''" 2 +ATOM 626 H "H1'" . DG A 1 6 ? 7.178 -1.385 1.150 1.00 0.00 ? 2 DG A "H1'" 2 +ATOM 627 H H8 . DG A 1 6 ? 5.221 -4.406 2.704 1.00 0.00 ? 2 DG A H8 2 +ATOM 628 H H1 . DG A 1 6 ? 2.004 1.160 2.672 1.00 0.00 ? 2 DG A H1 2 +ATOM 629 H H21 . DG A 1 6 ? 3.429 2.793 2.105 1.00 0.00 ? 2 DG A H21 2 +ATOM 630 H H22 . DG A 1 6 ? 5.112 2.391 1.700 1.00 0.00 ? 2 DG A H22 2 +ATOM 631 P P . DG A 1 7 ? 10.641 -0.833 2.628 1.00 0.00 ? 3 DG A P 2 +ATOM 632 O OP1 . DG A 1 7 ? 11.848 -0.278 1.982 1.00 0.00 ? 3 DG A OP1 2 +ATOM 633 O OP2 . DG A 1 7 ? 10.760 -1.576 3.901 1.00 0.00 ? 3 DG A OP2 2 +ATOM 634 O "O5'" . DG A 1 7 ? 9.586 0.364 2.836 1.00 0.00 ? 3 DG A "O5'" 2 +ATOM 635 C "C5'" . DG A 1 7 ? 9.545 1.103 4.043 1.00 0.00 ? 3 DG A "C5'" 2 +ATOM 636 C "C4'" . DG A 1 7 ? 8.626 2.334 3.915 1.00 0.00 ? 3 DG A "C4'" 2 +ATOM 637 O "O4'" . DG A 1 7 ? 7.268 1.937 3.722 1.00 0.00 ? 3 DG A "O4'" 2 +ATOM 638 C "C3'" . DG A 1 7 ? 8.674 3.166 5.210 1.00 0.00 ? 3 DG A "C3'" 2 +ATOM 639 O "O3'" . DG A 1 7 ? 8.565 4.549 4.925 1.00 0.00 ? 3 DG A "O3'" 2 +ATOM 640 C "C2'" . DG A 1 7 ? 7.424 2.674 5.922 1.00 0.00 ? 3 DG A "C2'" 2 +ATOM 641 C "C1'" . DG A 1 7 ? 6.469 2.495 4.749 1.00 0.00 ? 3 DG A "C1'" 2 +ATOM 642 N N9 . DG A 1 7 ? 5.372 1.572 5.096 1.00 0.00 ? 3 DG A N9 2 +ATOM 643 C C8 . DG A 1 7 ? 5.422 0.212 5.262 1.00 0.00 ? 3 DG A C8 2 +ATOM 644 N N7 . DG A 1 7 ? 4.285 -0.326 5.610 1.00 0.00 ? 3 DG A N7 2 +ATOM 645 C C5 . DG A 1 7 ? 3.410 0.766 5.681 1.00 0.00 ? 3 DG A C5 2 +ATOM 646 C C6 . DG A 1 7 ? 2.017 0.870 6.017 1.00 0.00 ? 3 DG A C6 2 +ATOM 647 O O6 . DG A 1 7 ? 1.243 -0.013 6.365 1.00 0.00 ? 3 DG A O6 2 +ATOM 648 N N1 . DG A 1 7 ? 1.504 2.151 5.942 1.00 0.00 ? 3 DG A N1 2 +ATOM 649 C C2 . DG A 1 7 ? 2.250 3.221 5.576 1.00 0.00 ? 3 DG A C2 2 +ATOM 650 N N2 . DG A 1 7 ? 1.670 4.387 5.609 1.00 0.00 ? 3 DG A N2 2 +ATOM 651 N N3 . DG A 1 7 ? 3.545 3.177 5.286 1.00 0.00 ? 3 DG A N3 2 +ATOM 652 C C4 . DG A 1 7 ? 4.071 1.924 5.349 1.00 0.00 ? 3 DG A C4 2 +ATOM 653 H "H5'" . DG A 1 7 ? 10.552 1.454 4.281 1.00 0.00 ? 3 DG A "H5'" 2 +ATOM 654 H "H5''" . DG A 1 7 ? 9.193 0.465 4.857 1.00 0.00 ? 3 DG A "H5''" 2 +ATOM 655 H "H4'" . DG A 1 7 ? 8.975 2.929 3.068 1.00 0.00 ? 3 DG A "H4'" 2 +ATOM 656 H "H3'" . DG A 1 7 ? 9.580 2.950 5.782 1.00 0.00 ? 3 DG A "H3'" 2 +ATOM 657 H "H2'" . DG A 1 7 ? 7.625 1.727 6.422 1.00 0.00 ? 3 DG A "H2'" 2 +ATOM 658 H "H2''" . DG A 1 7 ? 7.056 3.396 6.642 1.00 0.00 ? 3 DG A "H2''" 2 +ATOM 659 H "H1'" . DG A 1 7 ? 6.084 3.465 4.424 1.00 0.00 ? 3 DG A "H1'" 2 +ATOM 660 H H8 . DG A 1 7 ? 6.326 -0.363 5.121 1.00 0.00 ? 3 DG A H8 2 +ATOM 661 H H1 . DG A 1 7 ? 0.518 2.257 6.157 1.00 0.00 ? 3 DG A H1 2 +ATOM 662 H H21 . DG A 1 7 ? 0.704 4.482 5.884 1.00 0.00 ? 3 DG A H21 2 +ATOM 663 H H22 . DG A 1 7 ? 2.278 5.166 5.433 1.00 0.00 ? 3 DG A H22 2 +ATOM 664 P P . DA A 1 8 ? 8.816 5.662 6.064 1.00 0.00 ? 4 DA A P 2 +ATOM 665 O OP1 . DA A 1 8 ? 9.203 6.915 5.383 1.00 0.00 ? 4 DA A OP1 2 +ATOM 666 O OP2 . DA A 1 8 ? 9.713 5.073 7.080 1.00 0.00 ? 4 DA A OP2 2 +ATOM 667 O "O5'" . DA A 1 8 ? 7.367 5.882 6.744 1.00 0.00 ? 4 DA A "O5'" 2 +ATOM 668 C "C5'" . DA A 1 8 ? 6.388 6.712 6.139 1.00 0.00 ? 4 DA A "C5'" 2 +ATOM 669 C "C4'" . DA A 1 8 ? 5.133 6.891 7.013 1.00 0.00 ? 4 DA A "C4'" 2 +ATOM 670 O "O4'" . DA A 1 8 ? 4.307 5.734 7.060 1.00 0.00 ? 4 DA A "O4'" 2 +ATOM 671 C "C3'" . DA A 1 8 ? 5.408 7.317 8.471 1.00 0.00 ? 4 DA A "C3'" 2 +ATOM 672 O "O3'" . DA A 1 8 ? 4.834 8.587 8.717 1.00 0.00 ? 4 DA A "O3'" 2 +ATOM 673 C "C2'" . DA A 1 8 ? 4.750 6.192 9.260 1.00 0.00 ? 4 DA A "C2'" 2 +ATOM 674 C "C1'" . DA A 1 8 ? 3.651 5.730 8.313 1.00 0.00 ? 4 DA A "C1'" 2 +ATOM 675 N N9 . DA A 1 8 ? 3.248 4.347 8.621 1.00 0.00 ? 4 DA A N9 2 +ATOM 676 C C8 . DA A 1 8 ? 4.048 3.235 8.659 1.00 0.00 ? 4 DA A C8 2 +ATOM 677 N N7 . DA A 1 8 ? 3.418 2.123 8.912 1.00 0.00 ? 4 DA A N7 2 +ATOM 678 C C5 . DA A 1 8 ? 2.093 2.545 9.062 1.00 0.00 ? 4 DA A C5 2 +ATOM 679 C C6 . DA A 1 8 ? 0.874 1.901 9.355 1.00 0.00 ? 4 DA A C6 2 +ATOM 680 N N6 . DA A 1 8 ? 0.769 0.606 9.566 1.00 0.00 ? 4 DA A N6 2 +ATOM 681 N N1 . DA A 1 8 ? -0.265 2.592 9.480 1.00 0.00 ? 4 DA A N1 2 +ATOM 682 C C2 . DA A 1 8 ? -0.223 3.904 9.274 1.00 0.00 ? 4 DA A C2 2 +ATOM 683 N N3 . DA A 1 8 ? 0.844 4.639 8.976 1.00 0.00 ? 4 DA A N3 2 +ATOM 684 C C4 . DA A 1 8 ? 1.982 3.898 8.889 1.00 0.00 ? 4 DA A C4 2 +ATOM 685 H "H5'" . DA A 1 8 ? 6.094 6.299 5.172 1.00 0.00 ? 4 DA A "H5'" 2 +ATOM 686 H "H5''" . DA A 1 8 ? 6.809 7.707 5.978 1.00 0.00 ? 4 DA A "H5''" 2 +ATOM 687 H "H4'" . DA A 1 8 ? 4.530 7.664 6.532 1.00 0.00 ? 4 DA A "H4'" 2 +ATOM 688 H "H3'" . DA A 1 8 ? 6.471 7.298 8.708 1.00 0.00 ? 4 DA A "H3'" 2 +ATOM 689 H "H2'" . DA A 1 8 ? 5.498 5.417 9.426 1.00 0.00 ? 4 DA A "H2'" 2 +ATOM 690 H "H2''" . DA A 1 8 ? 4.351 6.518 10.213 1.00 0.00 ? 4 DA A "H2''" 2 +ATOM 691 H "H1'" . DA A 1 8 ? 2.811 6.429 8.312 1.00 0.00 ? 4 DA A "H1'" 2 +ATOM 692 H H8 . DA A 1 8 ? 5.114 3.285 8.508 1.00 0.00 ? 4 DA A H8 2 +ATOM 693 H H61 . DA A 1 8 ? -0.140 0.239 9.797 1.00 0.00 ? 4 DA A H61 2 +ATOM 694 H H62 . DA A 1 8 ? 1.588 0.027 9.484 1.00 0.00 ? 4 DA A H62 2 +ATOM 695 H H2 . DA A 1 8 ? -1.156 4.436 9.367 1.00 0.00 ? 4 DA A H2 2 +ATOM 696 P P . DT A 1 9 ? 5.059 9.377 10.100 1.00 0.00 ? 5 DT A P 2 +ATOM 697 O OP1 . DT A 1 9 ? 4.829 10.815 9.849 1.00 0.00 ? 5 DT A OP1 2 +ATOM 698 O OP2 . DT A 1 9 ? 6.329 8.922 10.704 1.00 0.00 ? 5 DT A OP2 2 +ATOM 699 O "O5'" . DT A 1 9 ? 3.847 8.828 10.996 1.00 0.00 ? 5 DT A "O5'" 2 +ATOM 700 C "C5'" . DT A 1 9 ? 2.504 9.127 10.663 1.00 0.00 ? 5 DT A "C5'" 2 +ATOM 701 C "C4'" . DT A 1 9 ? 1.547 8.280 11.508 1.00 0.00 ? 5 DT A "C4'" 2 +ATOM 702 O "O4'" . DT A 1 9 ? 1.655 6.892 11.236 1.00 0.00 ? 5 DT A "O4'" 2 +ATOM 703 C "C3'" . DT A 1 9 ? 1.658 8.483 13.030 1.00 0.00 ? 5 DT A "C3'" 2 +ATOM 704 O "O3'" . DT A 1 9 ? 0.452 9.030 13.528 1.00 0.00 ? 5 DT A "O3'" 2 +ATOM 705 C "C2'" . DT A 1 9 ? 1.847 7.038 13.477 1.00 0.00 ? 5 DT A "C2'" 2 +ATOM 706 C "C1'" . DT A 1 9 ? 1.102 6.281 12.372 1.00 0.00 ? 5 DT A "C1'" 2 +ATOM 707 N N1 . DT A 1 9 ? 1.395 4.827 12.359 1.00 0.00 ? 5 DT A N1 2 +ATOM 708 C C2 . DT A 1 9 ? 0.318 3.953 12.474 1.00 0.00 ? 5 DT A C2 2 +ATOM 709 O O2 . DT A 1 9 ? -0.854 4.297 12.502 1.00 0.00 ? 5 DT A O2 2 +ATOM 710 N N3 . DT A 1 9 ? 0.615 2.623 12.590 1.00 0.00 ? 5 DT A N3 2 +ATOM 711 C C4 . DT A 1 9 ? 1.871 2.076 12.598 1.00 0.00 ? 5 DT A C4 2 +ATOM 712 O O4 . DT A 1 9 ? 1.969 0.869 12.772 1.00 0.00 ? 5 DT A O4 2 +ATOM 713 C C5 . DT A 1 9 ? 2.967 3.029 12.408 1.00 0.00 ? 5 DT A C5 2 +ATOM 714 C C7 . DT A 1 9 ? 4.423 2.564 12.368 1.00 0.00 ? 5 DT A C7 2 +ATOM 715 C C6 . DT A 1 9 ? 2.692 4.356 12.289 1.00 0.00 ? 5 DT A C6 2 +ATOM 716 H "H5'" . DT A 1 9 ? 2.306 8.908 9.611 1.00 0.00 ? 5 DT A "H5'" 2 +ATOM 717 H "H5''" . DT A 1 9 ? 2.303 10.185 10.845 1.00 0.00 ? 5 DT A "H5''" 2 +ATOM 718 H "H4'" . DT A 1 9 ? 0.518 8.503 11.244 1.00 0.00 ? 5 DT A "H4'" 2 +ATOM 719 H "H3'" . DT A 1 9 ? 2.522 9.098 13.294 1.00 0.00 ? 5 DT A "H3'" 2 +ATOM 720 H "H2'" . DT A 1 9 ? 2.917 6.839 13.480 1.00 0.00 ? 5 DT A "H2'" 2 +ATOM 721 H "H2''" . DT A 1 9 ? 1.464 6.861 14.474 1.00 0.00 ? 5 DT A "H2''" 2 +ATOM 722 H "H1'" . DT A 1 9 ? 0.030 6.521 12.372 1.00 0.00 ? 5 DT A "H1'" 2 +ATOM 723 H H3 . DT A 1 9 ? -0.175 2.015 12.766 1.00 0.00 ? 5 DT A H3 2 +ATOM 724 H H71 . DT A 1 9 ? 4.547 1.638 12.934 1.00 0.00 ? 5 DT A H71 2 +ATOM 725 H H72 . DT A 1 9 ? 4.722 2.375 11.336 1.00 0.00 ? 5 DT A H72 2 +ATOM 726 H H73 . DT A 1 9 ? 5.092 3.313 12.796 1.00 0.00 ? 5 DT A H73 2 +ATOM 727 H H6 . DT A 1 9 ? 3.504 5.056 12.141 1.00 0.00 ? 5 DT A H6 2 +ATOM 728 P P . DC A 1 10 ? 0.280 9.482 15.059 1.00 0.00 ? 6 DC A P 2 +ATOM 729 O OP1 . DC A 1 10 ? -0.110 10.907 15.080 1.00 0.00 ? 6 DC A OP1 2 +ATOM 730 O OP2 . DC A 1 10 ? 1.454 9.018 15.829 1.00 0.00 ? 6 DC A OP2 2 +ATOM 731 O "O5'" . DC A 1 10 ? -0.988 8.600 15.503 1.00 0.00 ? 6 DC A "O5'" 2 +ATOM 732 C "C5'" . DC A 1 10 ? -2.276 8.832 14.953 1.00 0.00 ? 6 DC A "C5'" 2 +ATOM 733 C "C4'" . DC A 1 10 ? -3.311 7.822 15.481 1.00 0.00 ? 6 DC A "C4'" 2 +ATOM 734 O "O4'" . DC A 1 10 ? -2.972 6.505 15.059 1.00 0.00 ? 6 DC A "O4'" 2 +ATOM 735 C "C3'" . DC A 1 10 ? -3.405 7.816 17.017 1.00 0.00 ? 6 DC A "C3'" 2 +ATOM 736 O "O3'" . DC A 1 10 ? -4.745 7.601 17.423 1.00 0.00 ? 6 DC A "O3'" 2 +ATOM 737 C "C2'" . DC A 1 10 ? -2.541 6.612 17.363 1.00 0.00 ? 6 DC A "C2'" 2 +ATOM 738 C "C1'" . DC A 1 10 ? -2.860 5.676 16.199 1.00 0.00 ? 6 DC A "C1'" 2 +ATOM 739 N N1 . DC A 1 10 ? -1.762 4.698 16.005 1.00 0.00 ? 6 DC A N1 2 +ATOM 740 C C2 . DC A 1 10 ? -1.965 3.381 16.401 1.00 0.00 ? 6 DC A C2 2 +ATOM 741 O O2 . DC A 1 10 ? -3.057 2.996 16.790 1.00 0.00 ? 6 DC A O2 2 +ATOM 742 N N3 . DC A 1 10 ? -0.946 2.485 16.370 1.00 0.00 ? 6 DC A N3 2 +ATOM 743 C C4 . DC A 1 10 ? 0.235 2.891 15.941 1.00 0.00 ? 6 DC A C4 2 +ATOM 744 N N4 . DC A 1 10 ? 1.173 1.987 15.960 1.00 0.00 ? 6 DC A N4 2 +ATOM 745 C C5 . DC A 1 10 ? 0.506 4.224 15.508 1.00 0.00 ? 6 DC A C5 2 +ATOM 746 C C6 . DC A 1 10 ? -0.531 5.093 15.546 1.00 0.00 ? 6 DC A C6 2 +ATOM 747 H "H5'" . DC A 1 10 ? -2.241 8.749 13.864 1.00 0.00 ? 6 DC A "H5'" 2 +ATOM 748 H "H5''" . DC A 1 10 ? -2.610 9.838 15.213 1.00 0.00 ? 6 DC A "H5''" 2 +ATOM 749 H "H4'" . DC A 1 10 ? -4.280 8.089 15.056 1.00 0.00 ? 6 DC A "H4'" 2 +ATOM 750 H "H3'" . DC A 1 10 ? -3.008 8.746 17.433 1.00 0.00 ? 6 DC A "H3'" 2 +ATOM 751 H "H2'" . DC A 1 10 ? -1.495 6.919 17.358 1.00 0.00 ? 6 DC A "H2'" 2 +ATOM 752 H "H2''" . DC A 1 10 ? -2.789 6.182 18.330 1.00 0.00 ? 6 DC A "H2''" 2 +ATOM 753 H "H1'" . DC A 1 10 ? -3.839 5.220 16.363 1.00 0.00 ? 6 DC A "H1'" 2 +ATOM 754 H H41 . DC A 1 10 ? 0.855 1.085 16.282 1.00 0.00 ? 6 DC A H41 2 +ATOM 755 H H42 . DC A 1 10 ? 2.108 2.189 15.664 1.00 0.00 ? 6 DC A H42 2 +ATOM 756 H H5 . DC A 1 10 ? 1.465 4.570 15.147 1.00 0.00 ? 6 DC A H5 2 +ATOM 757 H H6 . DC A 1 10 ? -0.385 6.107 15.203 1.00 0.00 ? 6 DC A H6 2 +ATOM 758 P P . DC A 1 11 ? -5.189 7.737 18.963 1.00 0.00 ? 7 DC A P 2 +ATOM 759 O OP1 . DC A 1 11 ? -6.569 8.269 18.987 1.00 0.00 ? 7 DC A OP1 2 +ATOM 760 O OP2 . DC A 1 11 ? -4.119 8.452 19.689 1.00 0.00 ? 7 DC A OP2 2 +ATOM 761 O "O5'" . DC A 1 11 ? -5.223 6.217 19.504 1.00 0.00 ? 7 DC A "O5'" 2 +ATOM 762 C "C5'" . DC A 1 11 ? -6.364 5.390 19.323 1.00 0.00 ? 7 DC A "C5'" 2 +ATOM 763 C "C4'" . DC A 1 11 ? -6.245 4.068 20.105 1.00 0.00 ? 7 DC A "C4'" 2 +ATOM 764 O "O4'" . DC A 1 11 ? -5.281 3.204 19.503 1.00 0.00 ? 7 DC A "O4'" 2 +ATOM 765 C "C3'" . DC A 1 11 ? -5.841 4.284 21.582 1.00 0.00 ? 7 DC A "C3'" 2 +ATOM 766 O "O3'" . DC A 1 11 ? -6.630 3.501 22.448 1.00 0.00 ? 7 DC A "O3'" 2 +ATOM 767 C "C2'" . DC A 1 11 ? -4.408 3.772 21.553 1.00 0.00 ? 7 DC A "C2'" 2 +ATOM 768 C "C1'" . DC A 1 11 ? -4.514 2.637 20.542 1.00 0.00 ? 7 DC A "C1'" 2 +ATOM 769 N N1 . DC A 1 11 ? -3.167 2.260 20.068 1.00 0.00 ? 7 DC A N1 2 +ATOM 770 C C2 . DC A 1 11 ? -2.670 0.986 20.349 1.00 0.00 ? 7 DC A C2 2 +ATOM 771 O O2 . DC A 1 11 ? -3.398 0.085 20.745 1.00 0.00 ? 7 DC A O2 2 +ATOM 772 N N3 . DC A 1 11 ? -1.344 0.718 20.199 1.00 0.00 ? 7 DC A N3 2 +ATOM 773 C C4 . DC A 1 11 ? -0.540 1.710 19.849 1.00 0.00 ? 7 DC A C4 2 +ATOM 774 N N4 . DC A 1 11 ? 0.725 1.433 19.718 1.00 0.00 ? 7 DC A N4 2 +ATOM 775 C C5 . DC A 1 11 ? -0.990 3.039 19.636 1.00 0.00 ? 7 DC A C5 2 +ATOM 776 C C6 . DC A 1 11 ? -2.311 3.258 19.700 1.00 0.00 ? 7 DC A C6 2 +ATOM 777 H "H5'" . DC A 1 11 ? -6.509 5.176 18.262 1.00 0.00 ? 7 DC A "H5'" 2 +ATOM 778 H "H5''" . DC A 1 11 ? -7.252 5.902 19.699 1.00 0.00 ? 7 DC A "H5''" 2 +ATOM 779 H "H4'" . DC A 1 11 ? -7.215 3.569 20.065 1.00 0.00 ? 7 DC A "H4'" 2 +ATOM 780 H "H3'" . DC A 1 11 ? -5.897 5.340 21.859 1.00 0.00 ? 7 DC A "H3'" 2 +ATOM 781 H "H2'" . DC A 1 11 ? -3.820 4.609 21.217 1.00 0.00 ? 7 DC A "H2'" 2 +ATOM 782 H "H2''" . DC A 1 11 ? -3.940 3.438 22.469 1.00 0.00 ? 7 DC A "H2''" 2 +ATOM 783 H "H1'" . DC A 1 11 ? -5.068 1.822 21.002 1.00 0.00 ? 7 DC A "H1'" 2 +ATOM 784 H H41 . DC A 1 11 ? 0.977 0.481 19.922 1.00 0.00 ? 7 DC A H41 2 +ATOM 785 H H42 . DC A 1 11 ? 1.377 2.137 19.437 1.00 0.00 ? 7 DC A H42 2 +ATOM 786 H H5 . DC A 1 11 ? -0.370 3.901 19.564 1.00 0.00 ? 7 DC A H5 2 +ATOM 787 H H6 . DC A 1 11 ? -2.674 4.258 19.520 1.00 0.00 ? 7 DC A H6 2 +ATOM 788 P P . DT A 1 12 ? -6.526 3.676 24.040 1.00 0.00 ? 8 DT A P 2 +ATOM 789 O OP1 . DT A 1 12 ? -7.877 3.966 24.564 1.00 0.00 ? 8 DT A OP1 2 +ATOM 790 O OP2 . DT A 1 12 ? -5.393 4.571 24.357 1.00 0.00 ? 8 DT A OP2 2 +ATOM 791 O "O5'" . DT A 1 12 ? -6.106 2.204 24.500 1.00 0.00 ? 8 DT A "O5'" 2 +ATOM 792 C "C5'" . DT A 1 12 ? -6.991 1.107 24.392 1.00 0.00 ? 8 DT A "C5'" 2 +ATOM 793 C "C4'" . DT A 1 12 ? -6.401 -0.143 25.065 1.00 0.00 ? 8 DT A "C4'" 2 +ATOM 794 O "O4'" . DT A 1 12 ? -5.232 -0.604 24.392 1.00 0.00 ? 8 DT A "O4'" 2 +ATOM 795 C "C3'" . DT A 1 12 ? -5.992 0.101 26.529 1.00 0.00 ? 8 DT A "C3'" 2 +ATOM 796 O "O3'" . DT A 1 12 ? -6.122 -1.158 27.178 1.00 0.00 ? 8 DT A "O3'" 2 +ATOM 797 C "C2'" . DT A 1 12 ? -4.548 0.530 26.364 1.00 0.00 ? 8 DT A "C2'" 2 +ATOM 798 C "C1'" . DT A 1 12 ? -4.134 -0.414 25.263 1.00 0.00 ? 8 DT A "C1'" 2 +ATOM 799 N N1 . DT A 1 12 ? -2.944 -0.005 24.495 1.00 0.00 ? 8 DT A N1 2 +ATOM 800 C C2 . DT A 1 12 ? -2.144 -1.036 24.020 1.00 0.00 ? 8 DT A C2 2 +ATOM 801 O O2 . DT A 1 12 ? -2.374 -2.225 24.194 1.00 0.00 ? 8 DT A O2 2 +ATOM 802 N N3 . DT A 1 12 ? -0.994 -0.670 23.381 1.00 0.00 ? 8 DT A N3 2 +ATOM 803 C C4 . DT A 1 12 ? -0.569 0.616 23.177 1.00 0.00 ? 8 DT A C4 2 +ATOM 804 O O4 . DT A 1 12 ? 0.568 0.784 22.756 1.00 0.00 ? 8 DT A O4 2 +ATOM 805 C C5 . DT A 1 12 ? -1.553 1.654 23.503 1.00 0.00 ? 8 DT A C5 2 +ATOM 806 C C7 . DT A 1 12 ? -1.248 3.131 23.251 1.00 0.00 ? 8 DT A C7 2 +ATOM 807 C C6 . DT A 1 12 ? -2.710 1.309 24.136 1.00 0.00 ? 8 DT A C6 2 +ATOM 808 H "H5'" . DT A 1 12 ? -7.191 0.889 23.341 1.00 0.00 ? 8 DT A "H5'" 2 +ATOM 809 H "H5''" . DT A 1 12 ? -7.937 1.338 24.888 1.00 0.00 ? 8 DT A "H5''" 2 +ATOM 810 H "H4'" . DT A 1 12 ? -7.165 -0.922 25.009 1.00 0.00 ? 8 DT A "H4'" 2 +ATOM 811 H "H3'" . DT A 1 12 ? -6.520 0.924 27.001 1.00 0.00 ? 8 DT A "H3'" 2 +ATOM 812 H "H2'" . DT A 1 12 ? -4.458 1.573 26.105 1.00 0.00 ? 8 DT A "H2'" 2 +ATOM 813 H "H2''" . DT A 1 12 ? -3.972 0.367 27.248 1.00 0.00 ? 8 DT A "H2''" 2 +ATOM 814 H "H1'" . DT A 1 12 ? -3.940 -1.308 25.856 1.00 0.00 ? 8 DT A "H1'" 2 +ATOM 815 H H3 . DT A 1 12 ? -0.368 -1.423 23.142 1.00 0.00 ? 8 DT A H3 2 +ATOM 816 H H71 . DT A 1 12 ? -1.614 3.748 24.075 1.00 0.00 ? 8 DT A H71 2 +ATOM 817 H H72 . DT A 1 12 ? -0.172 3.280 23.168 1.00 0.00 ? 8 DT A H72 2 +ATOM 818 H H73 . DT A 1 12 ? -1.706 3.473 22.328 1.00 0.00 ? 8 DT A H73 2 +ATOM 819 H H6 . DT A 1 12 ? -3.462 2.065 24.359 1.00 0.00 ? 8 DT A H6 2 +ATOM 820 P P . DT A 1 13 ? -5.885 -1.386 28.746 1.00 0.00 ? 9 DT A P 2 +ATOM 821 O OP1 . DT A 1 13 ? -6.301 -2.767 29.067 1.00 0.00 ? 9 DT A OP1 2 +ATOM 822 O OP2 . DT A 1 13 ? -6.514 -0.255 29.456 1.00 0.00 ? 9 DT A OP2 2 +ATOM 823 O "O5'" . DT A 1 13 ? -4.278 -1.303 28.906 1.00 0.00 ? 9 DT A "O5'" 2 +ATOM 824 C "C5'" . DT A 1 13 ? -3.442 -2.358 28.444 1.00 0.00 ? 9 DT A "C5'" 2 +ATOM 825 C "C4'" . DT A 1 13 ? -1.956 -1.952 28.352 1.00 0.00 ? 9 DT A "C4'" 2 +ATOM 826 O "O4'" . DT A 1 13 ? -1.729 -0.806 27.517 1.00 0.00 ? 9 DT A "O4'" 2 +ATOM 827 C "C3'" . DT A 1 13 ? -1.358 -1.684 29.737 1.00 0.00 ? 9 DT A "C3'" 2 +ATOM 828 O "O3'" . DT A 1 13 ? -0.688 -2.806 30.261 1.00 0.00 ? 9 DT A "O3'" 2 +ATOM 829 C "C2'" . DT A 1 13 ? -0.337 -0.603 29.399 1.00 0.00 ? 9 DT A "C2'" 2 +ATOM 830 C "C1'" . DT A 1 13 ? -0.875 0.124 28.171 1.00 0.00 ? 9 DT A "C1'" 2 +ATOM 831 N N1 . DT A 1 13 ? -1.636 1.364 28.426 1.00 0.00 ? 9 DT A N1 2 +ATOM 832 C C2 . DT A 1 13 ? -1.724 2.285 27.382 1.00 0.00 ? 9 DT A C2 2 +ATOM 833 O O2 . DT A 1 13 ? -0.975 2.294 26.417 1.00 0.00 ? 9 DT A O2 2 +ATOM 834 N N3 . DT A 1 13 ? -2.698 3.246 27.470 1.00 0.00 ? 9 DT A N3 2 +ATOM 835 C C4 . DT A 1 13 ? -3.595 3.376 28.501 1.00 0.00 ? 9 DT A C4 2 +ATOM 836 O O4 . DT A 1 13 ? -4.393 4.301 28.458 1.00 0.00 ? 9 DT A O4 2 +ATOM 837 C C5 . DT A 1 13 ? -3.457 2.382 29.567 1.00 0.00 ? 9 DT A C5 2 +ATOM 838 C C7 . DT A 1 13 ? -4.526 2.197 30.629 1.00 0.00 ? 9 DT A C7 2 +ATOM 839 C C6 . DT A 1 13 ? -2.495 1.428 29.490 1.00 0.00 ? 9 DT A C6 2 +ATOM 840 H "H5'" . DT A 1 13 ? -3.758 -2.713 27.463 1.00 0.00 ? 9 DT A "H5'" 2 +ATOM 841 H "H5''" . DT A 1 13 ? -3.528 -3.201 29.134 1.00 0.00 ? 9 DT A "H5''" 2 +ATOM 842 H "H4'" . DT A 1 13 ? -1.412 -2.782 27.899 1.00 0.00 ? 9 DT A "H4'" 2 +ATOM 843 H "H3'" . DT A 1 13 ? -2.135 -1.355 30.427 1.00 0.00 ? 9 DT A "H3'" 2 +ATOM 844 H "H2'" . DT A 1 13 ? -0.077 0.027 30.238 1.00 0.00 ? 9 DT A "H2'" 2 +ATOM 845 H "H2''" . DT A 1 13 ? 0.574 -1.098 29.095 1.00 0.00 ? 9 DT A "H2''" 2 +ATOM 846 H "H1'" . DT A 1 13 ? -0.020 0.411 27.561 1.00 0.00 ? 9 DT A "H1'" 2 +ATOM 847 H H3 . DT A 1 13 ? -2.809 3.875 26.699 1.00 0.00 ? 9 DT A H3 2 +ATOM 848 H H71 . DT A 1 13 ? -5.273 2.993 30.606 1.00 0.00 ? 9 DT A H71 2 +ATOM 849 H H72 . DT A 1 13 ? -5.010 1.250 30.368 1.00 0.00 ? 9 DT A H72 2 +ATOM 850 H H73 . DT A 1 13 ? -4.094 2.127 31.628 1.00 0.00 ? 9 DT A H73 2 +ATOM 851 H H6 . DT A 1 13 ? -2.411 0.669 30.249 1.00 0.00 ? 9 DT A H6 2 +ATOM 852 P P . DT A 1 14 B -0.121 -2.788 31.761 1.00 0.00 ? 1 DT A P 2 +ATOM 853 O OP1 . DT A 1 14 B -1.269 -2.739 32.690 1.00 0.00 ? 1 DT A OP1 2 +ATOM 854 O OP2 . DT A 1 14 B 0.943 -1.765 31.852 1.00 0.00 ? 1 DT A OP2 2 +ATOM 855 O "O5'" . DT A 1 14 B 0.567 -4.233 31.864 1.00 0.00 ? 1 DT A "O5'" 2 +ATOM 856 C "C5'" . DT A 1 14 B 1.760 -4.529 31.160 1.00 0.00 ? 1 DT A "C5'" 2 +ATOM 857 C "C4'" . DT A 1 14 B 1.604 -5.831 30.357 1.00 0.00 ? 1 DT A "C4'" 2 +ATOM 858 O "O4'" . DT A 1 14 B 0.710 -5.643 29.256 1.00 0.00 ? 1 DT A "O4'" 2 +ATOM 859 C "C3'" . DT A 1 14 B 2.962 -6.257 29.773 1.00 0.00 ? 1 DT A "C3'" 2 +ATOM 860 O "O3'" . DT A 1 14 B 3.065 -7.669 29.856 1.00 0.00 ? 1 DT A "O3'" 2 +ATOM 861 C "C2'" . DT A 1 14 B 2.845 -5.698 28.363 1.00 0.00 ? 1 DT A "C2'" 2 +ATOM 862 C "C1'" . DT A 1 14 B 1.383 -5.956 28.051 1.00 0.00 ? 1 DT A "C1'" 2 +ATOM 863 N N1 . DT A 1 14 B 0.911 -5.086 26.945 1.00 0.00 ? 1 DT A N1 2 +ATOM 864 C C2 . DT A 1 14 B 0.331 -5.708 25.840 1.00 0.00 ? 1 DT A C2 2 +ATOM 865 O O2 . DT A 1 14 B -0.055 -6.868 25.816 1.00 0.00 ? 1 DT A O2 2 +ATOM 866 N N3 . DT A 1 14 B 0.167 -4.939 24.719 1.00 0.00 ? 1 DT A N3 2 +ATOM 867 C C4 . DT A 1 14 B 0.436 -3.598 24.626 1.00 0.00 ? 1 DT A C4 2 +ATOM 868 O O4 . DT A 1 14 B 0.331 -3.065 23.529 1.00 0.00 ? 1 DT A O4 2 +ATOM 869 C C5 . DT A 1 14 B 0.848 -2.952 25.876 1.00 0.00 ? 1 DT A C5 2 +ATOM 870 C C7 . DT A 1 14 B 1.033 -1.432 25.925 1.00 0.00 ? 1 DT A C7 2 +ATOM 871 C C6 . DT A 1 14 B 1.074 -3.713 26.989 1.00 0.00 ? 1 DT A C6 2 +ATOM 872 H "H5'" . DT A 1 14 B 2.545 -4.656 31.906 1.00 0.00 ? 1 DT A "H5'" 2 +ATOM 873 H "H5''" . DT A 1 14 B 2.068 -3.732 30.477 1.00 0.00 ? 1 DT A "H5''" 2 +ATOM 874 H "H4'" . DT A 1 14 B 1.215 -6.603 31.024 1.00 0.00 ? 1 DT A "H4'" 2 +ATOM 875 H "H3'" . DT A 1 14 B 3.797 -5.770 30.274 1.00 0.00 ? 1 DT A "H3'" 2 +ATOM 876 H "H2'" . DT A 1 14 B 3.096 -4.639 28.392 1.00 0.00 ? 1 DT A "H2'" 2 +ATOM 877 H "H2''" . DT A 1 14 B 3.481 -6.201 27.649 1.00 0.00 ? 1 DT A "H2''" 2 +ATOM 878 H "H1'" . DT A 1 14 B 1.311 -7.021 27.823 1.00 0.00 ? 1 DT A "H1'" 2 +ATOM 879 H H3 . DT A 1 14 B -0.231 -5.378 23.913 1.00 0.00 ? 1 DT A H3 2 +ATOM 880 H H71 . DT A 1 14 B 1.578 -1.125 26.818 1.00 0.00 ? 1 DT A H71 2 +ATOM 881 H H72 . DT A 1 14 B 0.056 -0.928 25.895 1.00 0.00 ? 1 DT A H72 2 +ATOM 882 H H73 . DT A 1 14 B 1.606 -1.103 25.055 1.00 0.00 ? 1 DT A H73 2 +ATOM 883 H H6 . DT A 1 14 B 1.388 -3.265 27.935 1.00 0.00 ? 1 DT A H6 2 +ATOM 884 P P . DU A 1 15 B 4.147 -8.508 29.024 1.00 0.00 ? 2 DU A P 2 +ATOM 885 O OP1 . DU A 1 15 B 4.278 -9.860 29.601 1.00 0.00 ? 2 DU A OP1 2 +ATOM 886 O OP2 . DU A 1 15 B 5.344 -7.669 28.799 1.00 0.00 ? 2 DU A OP2 2 +ATOM 887 O "O5'" . DU A 1 15 B 3.357 -8.632 27.637 1.00 0.00 ? 2 DU A "O5'" 2 +ATOM 888 C "C5'" . DU A 1 15 B 3.940 -9.211 26.494 1.00 0.00 ? 2 DU A "C5'" 2 +ATOM 889 C "C4'" . DU A 1 15 B 3.091 -8.866 25.247 1.00 0.00 ? 2 DU A "C4'" 2 +ATOM 890 O "O4'" . DU A 1 15 B 2.676 -7.502 25.133 1.00 0.00 ? 2 DU A "O4'" 2 +ATOM 891 C "C3'" . DU A 1 15 B 3.709 -9.282 23.906 1.00 0.00 ? 2 DU A "C3'" 2 +ATOM 892 O "O3'" . DU A 1 15 B 2.857 -10.261 23.285 1.00 0.00 ? 2 DU A "O3'" 2 +ATOM 893 C "C2'" . DU A 1 15 B 3.809 -7.971 23.103 1.00 0.00 ? 2 DU A "C2'" 2 +ATOM 894 C "C1'" . DU A 1 15 B 3.093 -6.894 23.912 1.00 0.00 ? 2 DU A "C1'" 2 +ATOM 895 N N1 . DU A 1 15 B 3.947 -5.785 24.288 1.00 0.00 ? 2 DU A N1 2 +ATOM 896 C C2 . DU A 1 15 B 3.750 -4.484 24.014 1.00 0.00 ? 2 DU A C2 2 +ATOM 897 O O2 . DU A 1 15 B 3.038 -4.093 23.103 1.00 0.00 ? 2 DU A O2 2 +ATOM 898 N N3 . DU A 1 15 B 4.285 -3.526 24.850 1.00 0.00 ? 2 DU A N3 2 +ATOM 899 C C4 . DU A 1 15 B 4.943 -3.802 26.030 1.00 0.00 ? 2 DU A C4 2 +ATOM 900 O O4 . DU A 1 15 B 5.201 -2.880 26.790 1.00 0.00 ? 2 DU A O4 2 +ATOM 901 C C5 . DU A 1 15 B 5.283 -5.202 26.215 1.00 0.00 ? 2 DU A C5 2 +ATOM 902 C C6 . DU A 1 15 B 4.912 -6.127 25.319 1.00 0.00 ? 2 DU A C6 2 +ATOM 903 H "H5'" . DU A 1 15 B 3.936 -10.295 26.618 1.00 0.00 ? 2 DU A "H5'" 2 +ATOM 904 H "H5''" . DU A 1 15 B 4.977 -8.909 26.370 1.00 0.00 ? 2 DU A "H5''" 2 +ATOM 905 H "H4'" . DU A 1 15 B 2.153 -9.354 25.444 1.00 0.00 ? 2 DU A "H4'" 2 +ATOM 906 H "H3'" . DU A 1 15 B 4.713 -9.694 24.096 1.00 0.00 ? 2 DU A "H3'" 2 +ATOM 907 H "H2'" . DU A 1 15 B 4.865 -7.711 22.947 1.00 0.00 ? 2 DU A "H2'" 2 +ATOM 908 H "H2''" . DU A 1 15 B 3.327 -8.060 22.127 1.00 0.00 ? 2 DU A "H2''" 2 +ATOM 909 H "H1'" . DU A 1 15 B 2.191 -6.554 23.384 1.00 0.00 ? 2 DU A "H1'" 2 +ATOM 910 H H3 . DU A 1 15 B 4.035 -2.574 24.669 1.00 0.00 ? 2 DU A H3 2 +ATOM 911 H H5 . DU A 1 15 B 5.745 -5.635 27.079 1.00 0.00 ? 2 DU A H5 2 +ATOM 912 H H6 . DU A 1 15 B 5.260 -7.134 25.427 1.00 0.00 ? 2 DU A H6 2 +ATOM 913 P P . DG A 1 16 B 3.507 -10.935 21.957 1.00 0.00 ? 3 DG A P 2 +ATOM 914 O OP1 . DG A 1 16 B 2.741 -12.160 21.647 1.00 0.00 ? 3 DG A OP1 2 +ATOM 915 O OP2 . DG A 1 16 B 4.971 -11.030 22.162 1.00 0.00 ? 3 DG A OP2 2 +ATOM 916 O "O5'" . DG A 1 16 B 3.252 -9.882 20.760 1.00 0.00 ? 3 DG A "O5'" 2 +ATOM 917 C "C5'" . DG A 1 16 B 2.033 -9.816 20.033 1.00 0.00 ? 3 DG A "C5'" 2 +ATOM 918 C "C4'" . DG A 1 16 B 0.816 -9.295 20.832 1.00 0.00 ? 3 DG A "C4'" 2 +ATOM 919 O "O4'" . DG A 1 16 B 1.074 -7.983 21.332 1.00 0.00 ? 3 DG A "O4'" 2 +ATOM 920 C "C3'" . DG A 1 16 B -0.408 -9.183 19.902 1.00 0.00 ? 3 DG A "C3'" 2 +ATOM 921 O "O3'" . DG A 1 16 B -1.606 -9.413 20.619 1.00 0.00 ? 3 DG A "O3'" 2 +ATOM 922 C "C2'" . DG A 1 16 B -0.323 -7.724 19.479 1.00 0.00 ? 3 DG A "C2'" 2 +ATOM 923 C "C1'" . DG A 1 16 B 0.136 -7.077 20.779 1.00 0.00 ? 3 DG A "C1'" 2 +ATOM 924 N N9 . DG A 1 16 B 0.786 -5.777 20.525 1.00 0.00 ? 3 DG A N9 2 +ATOM 925 C C8 . DG A 1 16 B 2.053 -5.536 20.062 1.00 0.00 ? 3 DG A C8 2 +ATOM 926 N N7 . DG A 1 16 B 2.336 -4.275 19.899 1.00 0.00 ? 3 DG A N7 2 +ATOM 927 C C5 . DG A 1 16 B 1.152 -3.626 20.269 1.00 0.00 ? 3 DG A C5 2 +ATOM 928 C C6 . DG A 1 16 B 0.774 -2.242 20.271 1.00 0.00 ? 3 DG A C6 2 +ATOM 929 O O6 . DG A 1 16 B 1.463 -1.263 20.017 1.00 0.00 ? 3 DG A O6 2 +ATOM 930 N N1 . DG A 1 16 B -0.550 -2.008 20.593 1.00 0.00 ? 3 DG A N1 2 +ATOM 931 C C2 . DG A 1 16 B -1.409 -2.999 20.934 1.00 0.00 ? 3 DG A C2 2 +ATOM 932 N N2 . DG A 1 16 B -2.661 -2.657 21.060 1.00 0.00 ? 3 DG A N2 2 +ATOM 933 N N3 . DG A 1 16 B -1.102 -4.294 20.960 1.00 0.00 ? 3 DG A N3 2 +ATOM 934 C C4 . DG A 1 16 B 0.194 -4.545 20.626 1.00 0.00 ? 3 DG A C4 2 +ATOM 935 H "H5'" . DG A 1 16 B 1.802 -10.798 19.614 1.00 0.00 ? 3 DG A "H5'" 2 +ATOM 936 H "H5''" . DG A 1 16 B 2.211 -9.139 19.196 1.00 0.00 ? 3 DG A "H5''" 2 +ATOM 937 H "H4'" . DG A 1 16 B 0.602 -9.981 21.652 1.00 0.00 ? 3 DG A "H4'" 2 +ATOM 938 H "H3'" . DG A 1 16 B -0.308 -9.861 19.050 1.00 0.00 ? 3 DG A "H3'" 2 +ATOM 939 H "H2'" . DG A 1 16 B 0.427 -7.611 18.695 1.00 0.00 ? 3 DG A "H2'" 2 +ATOM 940 H "H2''" . DG A 1 16 B -1.274 -7.319 19.141 1.00 0.00 ? 3 DG A "H2''" 2 +ATOM 941 H "H1'" . DG A 1 16 B -0.704 -6.975 21.470 1.00 0.00 ? 3 DG A "H1'" 2 +ATOM 942 H H8 . DG A 1 16 B 2.755 -6.323 19.830 1.00 0.00 ? 3 DG A H8 2 +ATOM 943 H H1 . DG A 1 16 B -0.876 -1.049 20.541 1.00 0.00 ? 3 DG A H1 2 +ATOM 944 H H21 . DG A 1 16 B -2.954 -1.697 20.953 1.00 0.00 ? 3 DG A H21 2 +ATOM 945 H H22 . DG A 1 16 B -3.298 -3.424 21.180 1.00 0.00 ? 3 DG A H22 2 +ATOM 946 P P . DG A 1 17 B -2.997 -9.695 19.857 1.00 0.00 ? 4 DG A P 2 +ATOM 947 O OP1 . DG A 1 17 B -3.926 -10.307 20.831 1.00 0.00 ? 4 DG A OP1 2 +ATOM 948 O OP2 . DG A 1 17 B -2.683 -10.409 18.602 1.00 0.00 ? 4 DG A OP2 2 +ATOM 949 O "O5'" . DG A 1 17 B -3.566 -8.234 19.469 1.00 0.00 ? 4 DG A "O5'" 2 +ATOM 950 C "C5'" . DG A 1 17 B -4.363 -7.481 20.371 1.00 0.00 ? 4 DG A "C5'" 2 +ATOM 951 C "C4'" . DG A 1 17 B -4.917 -6.189 19.737 1.00 0.00 ? 4 DG A "C4'" 2 +ATOM 952 O "O4'" . DG A 1 17 B -3.919 -5.168 19.653 1.00 0.00 ? 4 DG A "O4'" 2 +ATOM 953 C "C3'" . DG A 1 17 B -5.470 -6.396 18.309 1.00 0.00 ? 4 DG A "C3'" 2 +ATOM 954 O "O3'" . DG A 1 17 B -6.664 -5.643 18.155 1.00 0.00 ? 4 DG A "O3'" 2 +ATOM 955 C "C2'" . DG A 1 17 B -4.336 -5.785 17.492 1.00 0.00 ? 4 DG A "C2'" 2 +ATOM 956 C "C1'" . DG A 1 17 B -4.017 -4.582 18.368 1.00 0.00 ? 4 DG A "C1'" 2 +ATOM 957 N N9 . DG A 1 17 B -2.770 -3.896 17.980 1.00 0.00 ? 4 DG A N9 2 +ATOM 958 C C8 . DG A 1 17 B -1.524 -4.417 17.755 1.00 0.00 ? 4 DG A C8 2 +ATOM 959 N N7 . DG A 1 17 B -0.618 -3.529 17.443 1.00 0.00 ? 4 DG A N7 2 +ATOM 960 C C5 . DG A 1 17 B -1.330 -2.322 17.431 1.00 0.00 ? 4 DG A C5 2 +ATOM 961 C C6 . DG A 1 17 B -0.946 -0.968 17.135 1.00 0.00 ? 4 DG A C6 2 +ATOM 962 O O6 . DG A 1 17 B 0.160 -0.525 16.853 1.00 0.00 ? 4 DG A O6 2 +ATOM 963 N N1 . DG A 1 17 B -1.991 -0.061 17.154 1.00 0.00 ? 4 DG A N1 2 +ATOM 964 C C2 . DG A 1 17 B -3.261 -0.411 17.474 1.00 0.00 ? 4 DG A C2 2 +ATOM 965 N N2 . DG A 1 17 B -4.179 0.509 17.391 1.00 0.00 ? 4 DG A N2 2 +ATOM 966 N N3 . DG A 1 17 B -3.656 -1.641 17.767 1.00 0.00 ? 4 DG A N3 2 +ATOM 967 C C4 . DG A 1 17 B -2.650 -2.555 17.728 1.00 0.00 ? 4 DG A C4 2 +ATOM 968 H "H5'" . DG A 1 17 B -3.790 -7.231 21.266 1.00 0.00 ? 4 DG A "H5'" 2 +ATOM 969 H "H5''" . DG A 1 17 B -5.225 -8.083 20.669 1.00 0.00 ? 4 DG A "H5''" 2 +ATOM 970 H "H4'" . DG A 1 17 B -5.715 -5.837 20.395 1.00 0.00 ? 4 DG A "H4'" 2 +ATOM 971 H "H3'" . DG A 1 17 B -5.635 -7.450 18.073 1.00 0.00 ? 4 DG A "H3'" 2 +ATOM 972 H "H2'" . DG A 1 17 B -3.498 -6.480 17.465 1.00 0.00 ? 4 DG A "H2'" 2 +ATOM 973 H "H2''" . DG A 1 17 B -4.621 -5.532 16.478 1.00 0.00 ? 4 DG A "H2''" 2 +ATOM 974 H "H1'" . DG A 1 17 B -4.850 -3.876 18.340 1.00 0.00 ? 4 DG A "H1'" 2 +ATOM 975 H H8 . DG A 1 17 B -1.311 -5.471 17.832 1.00 0.00 ? 4 DG A H8 2 +ATOM 976 H H1 . DG A 1 17 B -1.755 0.897 16.921 1.00 0.00 ? 4 DG A H1 2 +ATOM 977 H H21 . DG A 1 17 B -3.950 1.453 17.124 1.00 0.00 ? 4 DG A H21 2 +ATOM 978 H H22 . DG A 1 17 B -5.118 0.180 17.528 1.00 0.00 ? 4 DG A H22 2 +ATOM 979 P P . DA A 1 18 B -7.507 -5.622 16.782 1.00 0.00 ? 5 DA A P 2 +ATOM 980 O OP1 . DA A 1 18 B -8.933 -5.803 17.131 1.00 0.00 ? 5 DA A OP1 2 +ATOM 981 O OP2 . DA A 1 18 B -6.866 -6.545 15.822 1.00 0.00 ? 5 DA A OP2 2 +ATOM 982 O "O5'" . DA A 1 18 B -7.313 -4.113 16.232 1.00 0.00 ? 5 DA A "O5'" 2 +ATOM 983 C "C5'" . DA A 1 18 B -7.952 -3.010 16.862 1.00 0.00 ? 5 DA A "C5'" 2 +ATOM 984 C "C4'" . DA A 1 18 B -7.844 -1.703 16.049 1.00 0.00 ? 5 DA A "C4'" 2 +ATOM 985 O "O4'" . DA A 1 18 B -6.505 -1.217 16.017 1.00 0.00 ? 5 DA A "O4'" 2 +ATOM 986 C "C3'" . DA A 1 18 B -8.325 -1.851 14.592 1.00 0.00 ? 5 DA A "C3'" 2 +ATOM 987 O "O3'" . DA A 1 18 B -9.104 -0.731 14.210 1.00 0.00 ? 5 DA A "O3'" 2 +ATOM 988 C "C2'" . DA A 1 18 B -7.005 -1.880 13.847 1.00 0.00 ? 5 DA A "C2'" 2 +ATOM 989 C "C1'" . DA A 1 18 B -6.165 -0.913 14.678 1.00 0.00 ? 5 DA A "C1'" 2 +ATOM 990 N N9 . DA A 1 18 B -4.730 -1.184 14.497 1.00 0.00 ? 5 DA A N9 2 +ATOM 991 C C8 . DA A 1 18 B -4.091 -2.384 14.642 1.00 0.00 ? 5 DA A C8 2 +ATOM 992 N N7 . DA A 1 18 B -2.805 -2.344 14.428 1.00 0.00 ? 5 DA A N7 2 +ATOM 993 C C5 . DA A 1 18 B -2.585 -0.998 14.115 1.00 0.00 ? 5 DA A C5 2 +ATOM 994 C C6 . DA A 1 18 B -1.453 -0.229 13.768 1.00 0.00 ? 5 DA A C6 2 +ATOM 995 N N6 . DA A 1 18 B -0.234 -0.718 13.678 1.00 0.00 ? 5 DA A N6 2 +ATOM 996 N N1 . DA A 1 18 B -1.558 1.076 13.491 1.00 0.00 ? 5 DA A N1 2 +ATOM 997 C C2 . DA A 1 18 B -2.759 1.636 13.585 1.00 0.00 ? 5 DA A C2 2 +ATOM 998 N N3 . DA A 1 18 B -3.906 1.043 13.899 1.00 0.00 ? 5 DA A N3 2 +ATOM 999 C C4 . DA A 1 18 B -3.753 -0.285 14.155 1.00 0.00 ? 5 DA A C4 2 +ATOM 1000 H "H5'" . DA A 1 18 B -7.521 -2.852 17.853 1.00 0.00 ? 5 DA A "H5'" 2 +ATOM 1001 H "H5''" . DA A 1 18 B -9.017 -3.221 16.981 1.00 0.00 ? 5 DA A "H5''" 2 +ATOM 1002 H "H4'" . DA A 1 18 B -8.458 -0.956 16.555 1.00 0.00 ? 5 DA A "H4'" 2 +ATOM 1003 H "H3'" . DA A 1 18 B -8.856 -2.790 14.440 1.00 0.00 ? 5 DA A "H3'" 2 +ATOM 1004 H "H2'" . DA A 1 18 B -6.636 -2.904 13.890 1.00 0.00 ? 5 DA A "H2'" 2 +ATOM 1005 H "H2''" . DA A 1 18 B -7.109 -1.589 12.809 1.00 0.00 ? 5 DA A "H2''" 2 +ATOM 1006 H "H1'" . DA A 1 18 B -6.431 0.122 14.448 1.00 0.00 ? 5 DA A "H1'" 2 +ATOM 1007 H H8 . DA A 1 18 B -4.630 -3.281 14.898 1.00 0.00 ? 5 DA A H8 2 +ATOM 1008 H H61 . DA A 1 18 B 0.508 -0.087 13.419 1.00 0.00 ? 5 DA A H61 2 +ATOM 1009 H H62 . DA A 1 18 B -0.073 -1.682 13.918 1.00 0.00 ? 5 DA A H62 2 +ATOM 1010 H H2 . DA A 1 18 B -2.817 2.690 13.365 1.00 0.00 ? 5 DA A H2 2 +ATOM 1011 P P . DT A 1 19 B -9.816 -0.636 12.767 1.00 0.00 ? 6 DT A P 2 +ATOM 1012 O OP1 . DT A 1 19 B -11.196 -0.146 12.972 1.00 0.00 ? 6 DT A OP1 2 +ATOM 1013 O OP2 . DT A 1 19 B -9.585 -1.902 12.041 1.00 0.00 ? 6 DT A OP2 2 +ATOM 1014 O "O5'" . DT A 1 19 B -8.977 0.524 12.024 1.00 0.00 ? 6 DT A "O5'" 2 +ATOM 1015 C "C5'" . DT A 1 19 B -9.119 1.883 12.408 1.00 0.00 ? 6 DT A "C5'" 2 +ATOM 1016 C "C4'" . DT A 1 19 B -8.217 2.822 11.588 1.00 0.00 ? 6 DT A "C4'" 2 +ATOM 1017 O "O4'" . DT A 1 19 B -6.845 2.505 11.803 1.00 0.00 ? 6 DT A "O4'" 2 +ATOM 1018 C "C3'" . DT A 1 19 B -8.480 2.784 10.067 1.00 0.00 ? 6 DT A "C3'" 2 +ATOM 1019 O "O3'" . DT A 1 19 B -8.531 4.099 9.543 1.00 0.00 ? 6 DT A "O3'" 2 +ATOM 1020 C "C2'" . DT A 1 19 B -7.245 2.048 9.563 1.00 0.00 ? 6 DT A "C2'" 2 +ATOM 1021 C "C1'" . DT A 1 19 B -6.192 2.532 10.554 1.00 0.00 ? 6 DT A "C1'" 2 +ATOM 1022 N N1 . DT A 1 19 B -4.998 1.650 10.597 1.00 0.00 ? 6 DT A N1 2 +ATOM 1023 C C2 . DT A 1 19 B -3.758 2.225 10.329 1.00 0.00 ? 6 DT A C2 2 +ATOM 1024 O O2 . DT A 1 19 B -3.582 3.406 10.075 1.00 0.00 ? 6 DT A O2 2 +ATOM 1025 N N3 . DT A 1 19 B -2.678 1.386 10.318 1.00 0.00 ? 6 DT A N3 2 +ATOM 1026 C C4 . DT A 1 19 B -2.713 0.030 10.517 1.00 0.00 ? 6 DT A C4 2 +ATOM 1027 O O4 . DT A 1 19 B -1.673 -0.600 10.385 1.00 0.00 ? 6 DT A O4 2 +ATOM 1028 C C5 . DT A 1 19 B -4.025 -0.519 10.858 1.00 0.00 ? 6 DT A C5 2 +ATOM 1029 C C7 . DT A 1 19 B -4.208 -2.016 11.118 1.00 0.00 ? 6 DT A C7 2 +ATOM 1030 C C6 . DT A 1 19 B -5.108 0.303 10.894 1.00 0.00 ? 6 DT A C6 2 +ATOM 1031 H "H5'" . DT A 1 19 B -8.862 1.996 13.464 1.00 0.00 ? 6 DT A "H5'" 2 +ATOM 1032 H "H5''" . DT A 1 19 B -10.154 2.201 12.268 1.00 0.00 ? 6 DT A "H5''" 2 +ATOM 1033 H "H4'" . DT A 1 19 B -8.389 3.836 11.953 1.00 0.00 ? 6 DT A "H4'" 2 +ATOM 1034 H "H3'" . DT A 1 19 B -9.400 2.240 9.839 1.00 0.00 ? 6 DT A "H3'" 2 +ATOM 1035 H "H2'" . DT A 1 19 B -7.435 0.985 9.651 1.00 0.00 ? 6 DT A "H2'" 2 +ATOM 1036 H "H2''" . DT A 1 19 B -6.988 2.284 8.532 1.00 0.00 ? 6 DT A "H2''" 2 +ATOM 1037 H "H1'" . DT A 1 19 B -5.967 3.568 10.307 1.00 0.00 ? 6 DT A "H1'" 2 +ATOM 1038 H H3 . DT A 1 19 B -1.792 1.818 10.090 1.00 0.00 ? 6 DT A H3 2 +ATOM 1039 H H71 . DT A 1 19 B -4.291 -2.545 10.168 1.00 0.00 ? 6 DT A H71 2 +ATOM 1040 H H72 . DT A 1 19 B -3.353 -2.419 11.662 1.00 0.00 ? 6 DT A H72 2 +ATOM 1041 H H73 . DT A 1 19 B -5.106 -2.223 11.702 1.00 0.00 ? 6 DT A H73 2 +ATOM 1042 H H6 . DT A 1 19 B -6.067 -0.107 11.176 1.00 0.00 ? 6 DT A H6 2 +ATOM 1043 P P . DC A 1 20 B -8.863 4.384 7.993 1.00 0.00 ? 7 DC A P 2 +ATOM 1044 O OP1 . DC A 1 20 B -9.746 5.568 7.926 1.00 0.00 ? 7 DC A OP1 2 +ATOM 1045 O OP2 . DC A 1 20 B -9.283 3.116 7.361 1.00 0.00 ? 7 DC A OP2 2 +ATOM 1046 O "O5'" . DC A 1 20 B -7.427 4.794 7.383 1.00 0.00 ? 7 DC A "O5'" 2 +ATOM 1047 C "C5'" . DC A 1 20 B -6.846 6.055 7.674 1.00 0.00 ? 7 DC A "C5'" 2 +ATOM 1048 C "C4'" . DC A 1 20 B -5.503 6.260 6.951 1.00 0.00 ? 7 DC A "C4'" 2 +ATOM 1049 O "O4'" . DC A 1 20 B -4.520 5.352 7.439 1.00 0.00 ? 7 DC A "O4'" 2 +ATOM 1050 C "C3'" . DC A 1 20 B -5.589 6.082 5.420 1.00 0.00 ? 7 DC A "C3'" 2 +ATOM 1051 O "O3'" . DC A 1 20 B -4.892 7.131 4.772 1.00 0.00 ? 7 DC A "O3'" 2 +ATOM 1052 C "C2'" . DC A 1 20 B -4.853 4.760 5.239 1.00 0.00 ? 7 DC A "C2'" 2 +ATOM 1053 C "C1'" . DC A 1 20 B -3.792 4.874 6.330 1.00 0.00 ? 7 DC A "C1'" 2 +ATOM 1054 N N1 . DC A 1 20 B -3.199 3.552 6.643 1.00 0.00 ? 7 DC A N1 2 +ATOM 1055 C C2 . DC A 1 20 B -1.832 3.362 6.456 1.00 0.00 ? 7 DC A C2 2 +ATOM 1056 O O2 . DC A 1 20 B -1.096 4.282 6.126 1.00 0.00 ? 7 DC A O2 2 +ATOM 1057 N N3 . DC A 1 20 B -1.277 2.134 6.621 1.00 0.00 ? 7 DC A N3 2 +ATOM 1058 C C4 . DC A 1 20 B -2.054 1.143 7.020 1.00 0.00 ? 7 DC A C4 2 +ATOM 1059 N N4 . DC A 1 20 B -1.471 -0.012 7.167 1.00 0.00 ? 7 DC A N4 2 +ATOM 1060 C C5 . DC A 1 20 B -3.455 1.275 7.238 1.00 0.00 ? 7 DC A C5 2 +ATOM 1061 C C6 . DC A 1 20 B -3.988 2.504 7.048 1.00 0.00 ? 7 DC A C6 2 +ATOM 1062 H "H5'" . DC A 1 20 B -6.682 6.150 8.750 1.00 0.00 ? 7 DC A "H5'" 2 +ATOM 1063 H "H5''" . DC A 1 20 B -7.519 6.854 7.355 1.00 0.00 ? 7 DC A "H5''" 2 +ATOM 1064 H "H4'" . DC A 1 20 B -5.165 7.273 7.177 1.00 0.00 ? 7 DC A "H4'" 2 +ATOM 1065 H "H3'" . DC A 1 20 B -6.625 6.028 5.076 1.00 0.00 ? 7 DC A "H3'" 2 +ATOM 1066 H "H2'" . DC A 1 20 B -5.557 3.951 5.435 1.00 0.00 ? 7 DC A "H2'" 2 +ATOM 1067 H "H2''" . DC A 1 20 B -4.425 4.635 4.247 1.00 0.00 ? 7 DC A "H2''" 2 +ATOM 1068 H "H1'" . DC A 1 20 B -3.060 5.636 6.050 1.00 0.00 ? 7 DC A "H1'" 2 +ATOM 1069 H H41 . DC A 1 20 B -0.482 0.000 6.971 1.00 0.00 ? 7 DC A H41 2 +ATOM 1070 H H42 . DC A 1 20 B -1.963 -0.804 7.532 1.00 0.00 ? 7 DC A H42 2 +ATOM 1071 H H5 . DC A 1 20 B -4.085 0.457 7.540 1.00 0.00 ? 7 DC A H5 2 +ATOM 1072 H H6 . DC A 1 20 B -5.047 2.661 7.215 1.00 0.00 ? 7 DC A H6 2 +ATOM 1073 P P . DC A 1 21 B -4.886 7.294 3.170 1.00 0.00 ? 8 DC A P 2 +ATOM 1074 O OP1 . DC A 1 21 B -5.281 8.682 2.850 1.00 0.00 ? 8 DC A OP1 2 +ATOM 1075 O OP2 . DC A 1 21 B -5.620 6.159 2.572 1.00 0.00 ? 8 DC A OP2 2 +ATOM 1076 O "O5'" . DC A 1 21 B -3.326 7.117 2.810 1.00 0.00 ? 8 DC A "O5'" 2 +ATOM 1077 C "C5'" . DC A 1 21 B -2.373 8.095 3.194 1.00 0.00 ? 8 DC A "C5'" 2 +ATOM 1078 C "C4'" . DC A 1 21 B -0.953 7.736 2.722 1.00 0.00 ? 8 DC A "C4'" 2 +ATOM 1079 O "O4'" . DC A 1 21 B -0.508 6.531 3.340 1.00 0.00 ? 8 DC A "O4'" 2 +ATOM 1080 C "C3'" . DC A 1 21 B -0.844 7.560 1.195 1.00 0.00 ? 8 DC A "C3'" 2 +ATOM 1081 O "O3'" . DC A 1 21 B 0.344 8.167 0.716 1.00 0.00 ? 8 DC A "O3'" 2 +ATOM 1082 C "C2'" . DC A 1 21 B -0.789 6.051 1.078 1.00 0.00 ? 8 DC A "C2'" 2 +ATOM 1083 C "C1'" . DC A 1 21 B -0.034 5.652 2.339 1.00 0.00 ? 8 DC A "C1'" 2 +ATOM 1084 N N1 . DC A 1 21 B -0.362 4.254 2.711 1.00 0.00 ? 8 DC A N1 2 +ATOM 1085 C C2 . DC A 1 21 B 0.629 3.281 2.626 1.00 0.00 ? 8 DC A C2 2 +ATOM 1086 O O2 . DC A 1 21 B 1.762 3.544 2.247 1.00 0.00 ? 8 DC A O2 2 +ATOM 1087 N N3 . DC A 1 21 B 0.361 1.995 2.966 1.00 0.00 ? 8 DC A N3 2 +ATOM 1088 C C4 . DC A 1 21 B -0.857 1.693 3.383 1.00 0.00 ? 8 DC A C4 2 +ATOM 1089 N N4 . DC A 1 21 B -1.046 0.456 3.740 1.00 0.00 ? 8 DC A N4 2 +ATOM 1090 C C5 . DC A 1 21 B -1.925 2.630 3.444 1.00 0.00 ? 8 DC A C5 2 +ATOM 1091 C C6 . DC A 1 21 B -1.631 3.908 3.106 1.00 0.00 ? 8 DC A C6 2 +ATOM 1092 H "H5'" . DC A 1 21 B -2.361 8.195 4.282 1.00 0.00 ? 8 DC A "H5'" 2 +ATOM 1093 H "H5''" . DC A 1 21 B -2.638 9.062 2.760 1.00 0.00 ? 8 DC A "H5''" 2 +ATOM 1094 H "H4'" . DC A 1 21 B -0.292 8.545 3.039 1.00 0.00 ? 8 DC A "H4'" 2 +ATOM 1095 H "H3'" . DC A 1 21 B -1.725 7.928 0.669 1.00 0.00 ? 8 DC A "H3'" 2 +ATOM 1096 H "H2'" . DC A 1 21 B -1.809 5.667 1.066 1.00 0.00 ? 8 DC A "H2'" 2 +ATOM 1097 H "H2''" . DC A 1 21 B -0.266 5.747 0.184 1.00 0.00 ? 8 DC A "H2''" 2 +ATOM 1098 H "H1'" . DC A 1 21 B 1.032 5.845 2.203 1.00 0.00 ? 8 DC A "H1'" 2 +ATOM 1099 H H41 . DC A 1 21 B -0.221 -0.118 3.677 1.00 0.00 ? 8 DC A H41 2 +ATOM 1100 H H42 . DC A 1 21 B -1.924 0.148 4.108 1.00 0.00 ? 8 DC A H42 2 +ATOM 1101 H H5 . DC A 1 21 B -2.918 2.364 3.768 1.00 0.00 ? 8 DC A H5 2 +ATOM 1102 H H6 . DC A 1 21 B -2.403 4.666 3.144 1.00 0.00 ? 8 DC A H6 2 +ATOM 1103 P P . DT A 1 22 B 0.626 8.364 -0.858 1.00 0.00 ? 9 DT A P 2 +ATOM 1104 O OP1 . DT A 1 22 B 1.617 9.450 -1.014 1.00 0.00 ? 9 DT A OP1 2 +ATOM 1105 O OP2 . DT A 1 22 B -0.673 8.451 -1.559 1.00 0.00 ? 9 DT A OP2 2 +ATOM 1106 O "O5'" . DT A 1 22 B 1.330 6.985 -1.293 1.00 0.00 ? 9 DT A "O5'" 2 +ATOM 1107 C "C5'" . DT A 1 22 B 2.693 6.729 -0.999 1.00 0.00 ? 9 DT A "C5'" 2 +ATOM 1108 C "C4'" . DT A 1 22 B 3.097 5.312 -1.435 1.00 0.00 ? 9 DT A "C4'" 2 +ATOM 1109 O "O4'" . DT A 1 22 B 2.413 4.320 -0.687 1.00 0.00 ? 9 DT A "O4'" 2 +ATOM 1110 C "C3'" . DT A 1 22 B 2.795 4.998 -2.910 1.00 0.00 ? 9 DT A "C3'" 2 +ATOM 1111 O "O3'" . DT A 1 22 B 3.964 5.073 -3.700 1.00 0.00 ? 9 DT A "O3'" 2 +ATOM 1112 C "C2'" . DT A 1 22 B 2.301 3.549 -2.883 1.00 0.00 ? 9 DT A "C2'" 2 +ATOM 1113 C "C1'" . DT A 1 22 B 2.508 3.127 -1.429 1.00 0.00 ? 9 DT A "C1'" 2 +ATOM 1114 N N1 . DT A 1 22 B 1.479 2.166 -0.966 1.00 0.00 ? 9 DT A N1 2 +ATOM 1115 C C2 . DT A 1 22 B 1.899 0.895 -0.590 1.00 0.00 ? 9 DT A C2 2 +ATOM 1116 O O2 . DT A 1 22 B 3.034 0.469 -0.741 1.00 0.00 ? 9 DT A O2 2 +ATOM 1117 N N3 . DT A 1 22 B 0.952 0.072 -0.048 1.00 0.00 ? 9 DT A N3 2 +ATOM 1118 C C4 . DT A 1 22 B -0.365 0.379 0.160 1.00 0.00 ? 9 DT A C4 2 +ATOM 1119 O O4 . DT A 1 22 B -1.067 -0.472 0.694 1.00 0.00 ? 9 DT A O4 2 +ATOM 1120 C C5 . DT A 1 22 B -0.776 1.699 -0.333 1.00 0.00 ? 9 DT A C5 2 +ATOM 1121 C C7 . DT A 1 22 B -2.225 2.180 -0.270 1.00 0.00 ? 9 DT A C7 2 +ATOM 1122 C C6 . DT A 1 22 B 0.151 2.532 -0.878 1.00 0.00 ? 9 DT A C6 2 +ATOM 1123 H "H5'" . DT A 1 22 B 2.876 6.828 0.074 1.00 0.00 ? 9 DT A "H5'" 2 +ATOM 1124 H "H5''" . DT A 1 22 B 3.324 7.445 -1.530 1.00 0.00 ? 9 DT A "H5''" 2 +ATOM 1125 H "H4'" . DT A 1 22 B 4.167 5.188 -1.250 1.00 0.00 ? 9 DT A "H4'" 2 +ATOM 1126 H "H3'" . DT A 1 22 B 2.027 5.653 -3.325 1.00 0.00 ? 9 DT A "H3'" 2 +ATOM 1127 H "H2'" . DT A 1 22 B 1.247 3.544 -3.158 1.00 0.00 ? 9 DT A "H2'" 2 +ATOM 1128 H "H2''" . DT A 1 22 B 2.848 2.896 -3.559 1.00 0.00 ? 9 DT A "H2''" 2 +ATOM 1129 H "H1'" . DT A 1 22 B 3.531 2.758 -1.314 1.00 0.00 ? 9 DT A "H1'" 2 +ATOM 1130 H H3 . DT A 1 22 B 1.246 -0.866 0.183 1.00 0.00 ? 9 DT A H3 2 +ATOM 1131 H H71 . DT A 1 22 B -2.598 2.384 -1.275 1.00 0.00 ? 9 DT A H71 2 +ATOM 1132 H H72 . DT A 1 22 B -2.869 1.431 0.188 1.00 0.00 ? 9 DT A H72 2 +ATOM 1133 H H73 . DT A 1 22 B -2.294 3.095 0.322 1.00 0.00 ? 9 DT A H73 2 +ATOM 1134 H H6 . DT A 1 22 B -0.159 3.489 -1.275 1.00 0.00 ? 9 DT A H6 2 +ATOM 1135 O "O5'" . DA A 1 5 ? 7.916 -10.082 0.804 1.00 0.00 ? 1 DA A "O5'" 3 +ATOM 1136 C "C5'" . DA A 1 5 ? 6.564 -9.811 1.138 1.00 0.00 ? 1 DA A "C5'" 3 +ATOM 1137 C "C4'" . DA A 1 5 ? 5.931 -8.813 0.154 1.00 0.00 ? 1 DA A "C4'" 3 +ATOM 1138 O "O4'" . DA A 1 5 ? 4.593 -8.476 0.504 1.00 0.00 ? 1 DA A "O4'" 3 +ATOM 1139 C "C3'" . DA A 1 5 ? 6.677 -7.480 0.174 1.00 0.00 ? 1 DA A "C3'" 3 +ATOM 1140 O "O3'" . DA A 1 5 ? 7.611 -7.396 -0.877 1.00 0.00 ? 1 DA A "O3'" 3 +ATOM 1141 C "C2'" . DA A 1 5 ? 5.594 -6.423 -0.005 1.00 0.00 ? 1 DA A "C2'" 3 +ATOM 1142 C "C1'" . DA A 1 5 ? 4.299 -7.232 -0.110 1.00 0.00 ? 1 DA A "C1'" 3 +ATOM 1143 N N9 . DA A 1 5 ? 3.140 -6.561 0.516 1.00 0.00 ? 1 DA A N9 3 +ATOM 1144 C C8 . DA A 1 5 ? 2.147 -7.089 1.308 1.00 0.00 ? 1 DA A C8 3 +ATOM 1145 N N7 . DA A 1 5 ? 1.201 -6.242 1.617 1.00 0.00 ? 1 DA A N7 3 +ATOM 1146 C C5 . DA A 1 5 ? 1.607 -5.060 0.983 1.00 0.00 ? 1 DA A C5 3 +ATOM 1147 C C6 . DA A 1 5 ? 1.088 -3.748 0.858 1.00 0.00 ? 1 DA A C6 3 +ATOM 1148 N N6 . DA A 1 5 ? -0.042 -3.326 1.389 1.00 0.00 ? 1 DA A N6 3 +ATOM 1149 N N1 . DA A 1 5 ? 1.711 -2.825 0.114 1.00 0.00 ? 1 DA A N1 3 +ATOM 1150 C C2 . DA A 1 5 ? 2.844 -3.165 -0.486 1.00 0.00 ? 1 DA A C2 3 +ATOM 1151 N N3 . DA A 1 5 ? 3.446 -4.347 -0.461 1.00 0.00 ? 1 DA A N3 3 +ATOM 1152 C C4 . DA A 1 5 ? 2.780 -5.254 0.306 1.00 0.00 ? 1 DA A C4 3 +ATOM 1153 H "H5'" . DA A 1 5 ? 6.519 -9.418 2.155 1.00 0.00 ? 1 DA A "H5'" 3 +ATOM 1154 H "H5''" . DA A 1 5 ? 6.005 -10.748 1.105 1.00 0.00 ? 1 DA A "H5''" 3 +ATOM 1155 H "H4'" . DA A 1 5 ? 5.957 -9.246 -0.850 1.00 0.00 ? 1 DA A "H4'" 3 +ATOM 1156 H "H3'" . DA A 1 5 ? 7.117 -7.369 1.167 1.00 0.00 ? 1 DA A "H3'" 3 +ATOM 1157 H "H2'" . DA A 1 5 ? 5.604 -5.759 0.861 1.00 0.00 ? 1 DA A "H2'" 3 +ATOM 1158 H "H2''" . DA A 1 5 ? 5.748 -5.824 -0.905 1.00 0.00 ? 1 DA A "H2''" 3 +ATOM 1159 H "H1'" . DA A 1 5 ? 4.062 -7.399 -1.164 1.00 0.00 ? 1 DA A "H1'" 3 +ATOM 1160 H H8 . DA A 1 5 ? 2.125 -8.120 1.636 1.00 0.00 ? 1 DA A H8 3 +ATOM 1161 H H61 . DA A 1 5 ? -0.275 -2.350 1.249 1.00 0.00 ? 1 DA A H61 3 +ATOM 1162 H H62 . DA A 1 5 ? -0.542 -3.922 2.023 1.00 0.00 ? 1 DA A H62 3 +ATOM 1163 H H2 . DA A 1 5 ? 3.320 -2.402 -1.081 1.00 0.00 ? 1 DA A H2 3 +ATOM 1164 H "HO5'" . DA A 1 5 ? 8.447 -9.262 0.821 1.00 0.00 ? 1 DA A "HO5'" 3 +ATOM 1165 P P . DG A 1 6 ? 9.134 -7.061 -0.551 1.00 0.00 ? 2 DG A P 3 +ATOM 1166 O OP1 . DG A 1 6 ? 9.911 -7.157 -1.803 1.00 0.00 ? 2 DG A OP1 3 +ATOM 1167 O OP2 . DG A 1 6 ? 9.480 -7.910 0.615 1.00 0.00 ? 2 DG A OP2 3 +ATOM 1168 O "O5'" . DG A 1 6 ? 9.030 -5.513 -0.104 1.00 0.00 ? 2 DG A "O5'" 3 +ATOM 1169 C "C5'" . DG A 1 6 ? 9.073 -5.094 1.253 1.00 0.00 ? 2 DG A "C5'" 3 +ATOM 1170 C "C4'" . DG A 1 6 ? 8.652 -3.614 1.366 1.00 0.00 ? 2 DG A "C4'" 3 +ATOM 1171 O "O4'" . DG A 1 6 ? 7.233 -3.461 1.261 1.00 0.00 ? 2 DG A "O4'" 3 +ATOM 1172 C "C3'" . DG A 1 6 ? 9.061 -2.969 2.710 1.00 0.00 ? 2 DG A "C3'" 3 +ATOM 1173 O "O3'" . DG A 1 6 ? 9.728 -1.740 2.476 1.00 0.00 ? 2 DG A "O3'" 3 +ATOM 1174 C "C2'" . DG A 1 6 ? 7.702 -2.722 3.364 1.00 0.00 ? 2 DG A "C2'" 3 +ATOM 1175 C "C1'" . DG A 1 6 ? 6.853 -2.418 2.137 1.00 0.00 ? 2 DG A "C1'" 3 +ATOM 1176 N N9 . DG A 1 6 ? 5.408 -2.456 2.447 1.00 0.00 ? 2 DG A N9 3 +ATOM 1177 C C8 . DG A 1 6 ? 4.638 -3.528 2.817 1.00 0.00 ? 2 DG A C8 3 +ATOM 1178 N N7 . DG A 1 6 ? 3.380 -3.251 3.012 1.00 0.00 ? 2 DG A N7 3 +ATOM 1179 C C5 . DG A 1 6 ? 3.314 -1.871 2.787 1.00 0.00 ? 2 DG A C5 3 +ATOM 1180 C C6 . DG A 1 6 ? 2.229 -0.935 2.874 1.00 0.00 ? 2 DG A C6 3 +ATOM 1181 O O6 . DG A 1 6 ? 1.053 -1.150 3.135 1.00 0.00 ? 2 DG A O6 3 +ATOM 1182 N N1 . DG A 1 6 ? 2.581 0.374 2.614 1.00 0.00 ? 2 DG A N1 3 +ATOM 1183 C C2 . DG A 1 6 ? 3.846 0.749 2.300 1.00 0.00 ? 2 DG A C2 3 +ATOM 1184 N N2 . DG A 1 6 ? 4.059 2.027 2.160 1.00 0.00 ? 2 DG A N2 3 +ATOM 1185 N N3 . DG A 1 6 ? 4.883 -0.081 2.216 1.00 0.00 ? 2 DG A N3 3 +ATOM 1186 C C4 . DG A 1 6 ? 4.556 -1.380 2.461 1.00 0.00 ? 2 DG A C4 3 +ATOM 1187 H "H5'" . DG A 1 6 ? 10.101 -5.206 1.603 1.00 0.00 ? 2 DG A "H5'" 3 +ATOM 1188 H "H5''" . DG A 1 6 ? 8.422 -5.690 1.892 1.00 0.00 ? 2 DG A "H5''" 3 +ATOM 1189 H "H4'" . DG A 1 6 ? 9.127 -3.064 0.550 1.00 0.00 ? 2 DG A "H4'" 3 +ATOM 1190 H "H3'" . DG A 1 6 ? 9.676 -3.647 3.309 1.00 0.00 ? 2 DG A "H3'" 3 +ATOM 1191 H "H2'" . DG A 1 6 ? 7.358 -3.630 3.858 1.00 0.00 ? 2 DG A "H2'" 3 +ATOM 1192 H "H2''" . DG A 1 6 ? 7.709 -1.909 4.084 1.00 0.00 ? 2 DG A "H2''" 3 +ATOM 1193 H "H1'" . DG A 1 6 ? 7.133 -1.461 1.692 1.00 0.00 ? 2 DG A "H1'" 3 +ATOM 1194 H H8 . DG A 1 6 ? 5.026 -4.523 2.947 1.00 0.00 ? 2 DG A H8 3 +ATOM 1195 H H1 . DG A 1 6 ? 1.838 1.058 2.709 1.00 0.00 ? 2 DG A H1 3 +ATOM 1196 H H21 . DG A 1 6 ? 3.302 2.690 2.251 1.00 0.00 ? 2 DG A H21 3 +ATOM 1197 H H22 . DG A 1 6 ? 5.023 2.292 2.067 1.00 0.00 ? 2 DG A H22 3 +ATOM 1198 P P . DG A 1 7 ? 10.520 -0.969 3.648 1.00 0.00 ? 3 DG A P 3 +ATOM 1199 O OP1 . DG A 1 7 ? 11.940 -0.884 3.250 1.00 0.00 ? 3 DG A OP1 3 +ATOM 1200 O OP2 . DG A 1 7 ? 10.152 -1.592 4.937 1.00 0.00 ? 3 DG A OP2 3 +ATOM 1201 O "O5'" . DG A 1 7 ? 9.886 0.515 3.612 1.00 0.00 ? 3 DG A "O5'" 3 +ATOM 1202 C "C5'" . DG A 1 7 ? 8.499 0.715 3.807 1.00 0.00 ? 3 DG A "C5'" 3 +ATOM 1203 C "C4'" . DG A 1 7 ? 8.119 2.205 3.848 1.00 0.00 ? 3 DG A "C4'" 3 +ATOM 1204 O "O4'" . DG A 1 7 ? 6.702 2.293 3.744 1.00 0.00 ? 3 DG A "O4'" 3 +ATOM 1205 C "C3'" . DG A 1 7 ? 8.501 2.878 5.175 1.00 0.00 ? 3 DG A "C3'" 3 +ATOM 1206 O "O3'" . DG A 1 7 ? 8.557 4.284 5.001 1.00 0.00 ? 3 DG A "O3'" 3 +ATOM 1207 C "C2'" . DG A 1 7 ? 7.302 2.492 6.032 1.00 0.00 ? 3 DG A "C2'" 3 +ATOM 1208 C "C1'" . DG A 1 7 ? 6.159 2.591 5.019 1.00 0.00 ? 3 DG A "C1'" 3 +ATOM 1209 N N9 . DG A 1 7 ? 5.058 1.650 5.317 1.00 0.00 ? 3 DG A N9 3 +ATOM 1210 C C8 . DG A 1 7 ? 5.074 0.277 5.385 1.00 0.00 ? 3 DG A C8 3 +ATOM 1211 N N7 . DG A 1 7 ? 3.917 -0.259 5.663 1.00 0.00 ? 3 DG A N7 3 +ATOM 1212 C C5 . DG A 1 7 ? 3.061 0.843 5.778 1.00 0.00 ? 3 DG A C5 3 +ATOM 1213 C C6 . DG A 1 7 ? 1.656 0.953 6.058 1.00 0.00 ? 3 DG A C6 3 +ATOM 1214 O O6 . DG A 1 7 ? 0.852 0.064 6.307 1.00 0.00 ? 3 DG A O6 3 +ATOM 1215 N N1 . DG A 1 7 ? 1.172 2.248 6.051 1.00 0.00 ? 3 DG A N1 3 +ATOM 1216 C C2 . DG A 1 7 ? 1.946 3.320 5.752 1.00 0.00 ? 3 DG A C2 3 +ATOM 1217 N N2 . DG A 1 7 ? 1.383 4.493 5.772 1.00 0.00 ? 3 DG A N2 3 +ATOM 1218 N N3 . DG A 1 7 ? 3.248 3.267 5.508 1.00 0.00 ? 3 DG A N3 3 +ATOM 1219 C C4 . DG A 1 7 ? 3.753 2.005 5.538 1.00 0.00 ? 3 DG A C4 3 +ATOM 1220 H "H5'" . DG A 1 7 ? 8.180 0.235 4.731 1.00 0.00 ? 3 DG A "H5'" 3 +ATOM 1221 H "H5''" . DG A 1 7 ? 7.966 0.262 2.971 1.00 0.00 ? 3 DG A "H5''" 3 +ATOM 1222 H "H4'" . DG A 1 7 ? 8.588 2.710 3.002 1.00 0.00 ? 3 DG A "H4'" 3 +ATOM 1223 H "H3'" . DG A 1 7 ? 9.444 2.486 5.564 1.00 0.00 ? 3 DG A "H3'" 3 +ATOM 1224 H "H2'" . DG A 1 7 ? 7.428 1.486 6.425 1.00 0.00 ? 3 DG A "H2'" 3 +ATOM 1225 H "H2''" . DG A 1 7 ? 7.170 3.165 6.871 1.00 0.00 ? 3 DG A "H2''" 3 +ATOM 1226 H "H1'" . DG A 1 7 ? 5.805 3.623 4.989 1.00 0.00 ? 3 DG A "H1'" 3 +ATOM 1227 H H8 . DG A 1 7 ? 5.952 -0.330 5.211 1.00 0.00 ? 3 DG A H8 3 +ATOM 1228 H H1 . DG A 1 7 ? 0.184 2.359 6.251 1.00 0.00 ? 3 DG A H1 3 +ATOM 1229 H H21 . DG A 1 7 ? 0.414 4.601 6.029 1.00 0.00 ? 3 DG A H21 3 +ATOM 1230 H H22 . DG A 1 7 ? 2.003 5.265 5.609 1.00 0.00 ? 3 DG A H22 3 +ATOM 1231 P P . DA A 1 8 ? 8.947 5.275 6.209 1.00 0.00 ? 4 DA A P 3 +ATOM 1232 O OP1 . DA A 1 8 ? 9.488 6.517 5.617 1.00 0.00 ? 4 DA A OP1 3 +ATOM 1233 O OP2 . DA A 1 8 ? 9.755 4.512 7.183 1.00 0.00 ? 4 DA A OP2 3 +ATOM 1234 O "O5'" . DA A 1 8 ? 7.527 5.624 6.899 1.00 0.00 ? 4 DA A "O5'" 3 +ATOM 1235 C "C5'" . DA A 1 8 ? 6.615 6.525 6.292 1.00 0.00 ? 4 DA A "C5'" 3 +ATOM 1236 C "C4'" . DA A 1 8 ? 5.354 6.763 7.143 1.00 0.00 ? 4 DA A "C4'" 3 +ATOM 1237 O "O4'" . DA A 1 8 ? 4.484 5.638 7.195 1.00 0.00 ? 4 DA A "O4'" 3 +ATOM 1238 C "C3'" . DA A 1 8 ? 5.624 7.198 8.598 1.00 0.00 ? 4 DA A "C3'" 3 +ATOM 1239 O "O3'" . DA A 1 8 ? 5.089 8.490 8.822 1.00 0.00 ? 4 DA A "O3'" 3 +ATOM 1240 C "C2'" . DA A 1 8 ? 4.914 6.108 9.391 1.00 0.00 ? 4 DA A "C2'" 3 +ATOM 1241 C "C1'" . DA A 1 8 ? 3.809 5.672 8.438 1.00 0.00 ? 4 DA A "C1'" 3 +ATOM 1242 N N9 . DA A 1 8 ? 3.348 4.308 8.753 1.00 0.00 ? 4 DA A N9 3 +ATOM 1243 C C8 . DA A 1 8 ? 4.105 3.168 8.813 1.00 0.00 ? 4 DA A C8 3 +ATOM 1244 N N7 . DA A 1 8 ? 3.427 2.076 9.027 1.00 0.00 ? 4 DA A N7 3 +ATOM 1245 C C5 . DA A 1 8 ? 2.113 2.542 9.128 1.00 0.00 ? 4 DA A C5 3 +ATOM 1246 C C6 . DA A 1 8 ? 0.860 1.935 9.353 1.00 0.00 ? 4 DA A C6 3 +ATOM 1247 N N6 . DA A 1 8 ? 0.705 0.641 9.533 1.00 0.00 ? 4 DA A N6 3 +ATOM 1248 N N1 . DA A 1 8 ? -0.263 2.659 9.434 1.00 0.00 ? 4 DA A N1 3 +ATOM 1249 C C2 . DA A 1 8 ? -0.166 3.973 9.256 1.00 0.00 ? 4 DA A C2 3 +ATOM 1250 N N3 . DA A 1 8 ? 0.938 4.678 9.025 1.00 0.00 ? 4 DA A N3 3 +ATOM 1251 C C4 . DA A 1 8 ? 2.056 3.902 8.974 1.00 0.00 ? 4 DA A C4 3 +ATOM 1252 H "H5'" . DA A 1 8 ? 6.313 6.148 5.312 1.00 0.00 ? 4 DA A "H5'" 3 +ATOM 1253 H "H5''" . DA A 1 8 ? 7.103 7.492 6.155 1.00 0.00 ? 4 DA A "H5''" 3 +ATOM 1254 H "H4'" . DA A 1 8 ? 4.789 7.553 6.642 1.00 0.00 ? 4 DA A "H4'" 3 +ATOM 1255 H "H3'" . DA A 1 8 ? 6.685 7.147 8.842 1.00 0.00 ? 4 DA A "H3'" 3 +ATOM 1256 H "H2'" . DA A 1 8 ? 5.631 5.309 9.580 1.00 0.00 ? 4 DA A "H2'" 3 +ATOM 1257 H "H2''" . DA A 1 8 ? 4.516 6.467 10.333 1.00 0.00 ? 4 DA A "H2''" 3 +ATOM 1258 H "H1'" . DA A 1 8 ? 2.996 6.402 8.416 1.00 0.00 ? 4 DA A "H1'" 3 +ATOM 1259 H H8 . DA A 1 8 ? 5.178 3.180 8.696 1.00 0.00 ? 4 DA A H8 3 +ATOM 1260 H H61 . DA A 1 8 ? -0.224 0.302 9.720 1.00 0.00 ? 4 DA A H61 3 +ATOM 1261 H H62 . DA A 1 8 ? 1.510 0.039 9.500 1.00 0.00 ? 4 DA A H62 3 +ATOM 1262 H H2 . DA A 1 8 ? -1.085 4.533 9.318 1.00 0.00 ? 4 DA A H2 3 +ATOM 1263 P P . DT A 1 9 ? 5.321 9.288 10.200 1.00 0.00 ? 5 DT A P 3 +ATOM 1264 O OP1 . DT A 1 9 ? 5.139 10.730 9.930 1.00 0.00 ? 5 DT A OP1 3 +ATOM 1265 O OP2 . DT A 1 9 ? 6.569 8.802 10.823 1.00 0.00 ? 5 DT A OP2 3 +ATOM 1266 O "O5'" . DT A 1 9 ? 4.082 8.788 11.090 1.00 0.00 ? 5 DT A "O5'" 3 +ATOM 1267 C "C5'" . DT A 1 9 ? 2.752 9.133 10.745 1.00 0.00 ? 5 DT A "C5'" 3 +ATOM 1268 C "C4'" . DT A 1 9 ? 1.757 8.322 11.583 1.00 0.00 ? 5 DT A "C4'" 3 +ATOM 1269 O "O4'" . DT A 1 9 ? 1.820 6.931 11.315 1.00 0.00 ? 5 DT A "O4'" 3 +ATOM 1270 C "C3'" . DT A 1 9 ? 1.856 8.524 13.107 1.00 0.00 ? 5 DT A "C3'" 3 +ATOM 1271 O "O3'" . DT A 1 9 ? 0.658 9.104 13.589 1.00 0.00 ? 5 DT A "O3'" 3 +ATOM 1272 C "C2'" . DT A 1 9 ? 2.000 7.075 13.557 1.00 0.00 ? 5 DT A "C2'" 3 +ATOM 1273 C "C1'" . DT A 1 9 ? 1.241 6.338 12.448 1.00 0.00 ? 5 DT A "C1'" 3 +ATOM 1274 N N1 . DT A 1 9 ? 1.491 4.876 12.429 1.00 0.00 ? 5 DT A N1 3 +ATOM 1275 C C2 . DT A 1 9 ? 0.385 4.032 12.495 1.00 0.00 ? 5 DT A C2 3 +ATOM 1276 O O2 . DT A 1 9 ? -0.775 4.411 12.528 1.00 0.00 ? 5 DT A O2 3 +ATOM 1277 N N3 . DT A 1 9 ? 0.639 2.689 12.552 1.00 0.00 ? 5 DT A N3 3 +ATOM 1278 C C4 . DT A 1 9 ? 1.877 2.101 12.531 1.00 0.00 ? 5 DT A C4 3 +ATOM 1279 O O4 . DT A 1 9 ? 1.937 0.884 12.636 1.00 0.00 ? 5 DT A O4 3 +ATOM 1280 C C5 . DT A 1 9 ? 3.003 3.026 12.390 1.00 0.00 ? 5 DT A C5 3 +ATOM 1281 C C7 . DT A 1 9 ? 4.441 2.513 12.304 1.00 0.00 ? 5 DT A C7 3 +ATOM 1282 C C6 . DT A 1 9 ? 2.772 4.366 12.348 1.00 0.00 ? 5 DT A C6 3 +ATOM 1283 H "H5'" . DT A 1 9 ? 2.557 8.918 9.692 1.00 0.00 ? 5 DT A "H5'" 3 +ATOM 1284 H "H5''" . DT A 1 9 ? 2.587 10.197 10.924 1.00 0.00 ? 5 DT A "H5''" 3 +ATOM 1285 H "H4'" . DT A 1 9 ? 0.740 8.578 11.306 1.00 0.00 ? 5 DT A "H4'" 3 +ATOM 1286 H "H3'" . DT A 1 9 ? 2.733 9.116 13.380 1.00 0.00 ? 5 DT A "H3'" 3 +ATOM 1287 H "H2'" . DT A 1 9 ? 3.064 6.846 13.569 1.00 0.00 ? 5 DT A "H2'" 3 +ATOM 1288 H "H2''" . DT A 1 9 ? 1.605 6.911 14.552 1.00 0.00 ? 5 DT A "H2''" 3 +ATOM 1289 H "H1'" . DT A 1 9 ? 0.176 6.611 12.440 1.00 0.00 ? 5 DT A "H1'" 3 +ATOM 1290 H H3 . DT A 1 9 ? -0.171 2.097 12.691 1.00 0.00 ? 5 DT A H3 3 +ATOM 1291 H H71 . DT A 1 9 ? 4.468 1.558 11.774 1.00 0.00 ? 5 DT A H71 3 +ATOM 1292 H H72 . DT A 1 9 ? 5.085 3.211 11.765 1.00 0.00 ? 5 DT A H72 3 +ATOM 1293 H H73 . DT A 1 9 ? 4.842 2.368 13.308 1.00 0.00 ? 5 DT A H73 3 +ATOM 1294 H H6 . DT A 1 9 ? 3.609 5.042 12.249 1.00 0.00 ? 5 DT A H6 3 +ATOM 1295 P P . DC A 1 10 ? 0.474 9.552 15.120 1.00 0.00 ? 6 DC A P 3 +ATOM 1296 O OP1 . DC A 1 10 ? 0.102 10.982 15.142 1.00 0.00 ? 6 DC A OP1 3 +ATOM 1297 O OP2 . DC A 1 10 ? 1.632 9.071 15.902 1.00 0.00 ? 6 DC A OP2 3 +ATOM 1298 O "O5'" . DC A 1 10 ? -0.812 8.686 15.548 1.00 0.00 ? 6 DC A "O5'" 3 +ATOM 1299 C "C5'" . DC A 1 10 ? -2.092 8.941 14.990 1.00 0.00 ? 6 DC A "C5'" 3 +ATOM 1300 C "C4'" . DC A 1 10 ? -3.150 7.947 15.504 1.00 0.00 ? 6 DC A "C4'" 3 +ATOM 1301 O "O4'" . DC A 1 10 ? -2.833 6.626 15.075 1.00 0.00 ? 6 DC A "O4'" 3 +ATOM 1302 C "C3'" . DC A 1 10 ? -3.258 7.931 17.039 1.00 0.00 ? 6 DC A "C3'" 3 +ATOM 1303 O "O3'" . DC A 1 10 ? -4.605 7.741 17.430 1.00 0.00 ? 6 DC A "O3'" 3 +ATOM 1304 C "C2'" . DC A 1 10 ? -2.420 6.708 17.383 1.00 0.00 ? 6 DC A "C2'" 3 +ATOM 1305 C "C1'" . DC A 1 10 ? -2.749 5.786 16.210 1.00 0.00 ? 6 DC A "C1'" 3 +ATOM 1306 N N1 . DC A 1 10 ? -1.670 4.788 16.012 1.00 0.00 ? 6 DC A N1 3 +ATOM 1307 C C2 . DC A 1 10 ? -1.916 3.459 16.338 1.00 0.00 ? 6 DC A C2 3 +ATOM 1308 O O2 . DC A 1 10 ? -3.025 3.087 16.691 1.00 0.00 ? 6 DC A O2 3 +ATOM 1309 N N3 . DC A 1 10 ? -0.921 2.538 16.283 1.00 0.00 ? 6 DC A N3 3 +ATOM 1310 C C4 . DC A 1 10 ? 0.280 2.932 15.896 1.00 0.00 ? 6 DC A C4 3 +ATOM 1311 N N4 . DC A 1 10 ? 1.196 2.006 15.893 1.00 0.00 ? 6 DC A N4 3 +ATOM 1312 C C5 . DC A 1 10 ? 0.594 4.275 15.532 1.00 0.00 ? 6 DC A C5 3 +ATOM 1313 C C6 . DC A 1 10 ? -0.420 5.169 15.595 1.00 0.00 ? 6 DC A C6 3 +ATOM 1314 H "H5'" . DC A 1 10 ? -2.049 8.863 13.901 1.00 0.00 ? 6 DC A "H5'" 3 +ATOM 1315 H "H5''" . DC A 1 10 ? -2.411 9.952 15.252 1.00 0.00 ? 6 DC A "H5''" 3 +ATOM 1316 H "H4'" . DC A 1 10 ? -4.110 8.235 15.072 1.00 0.00 ? 6 DC A "H4'" 3 +ATOM 1317 H "H3'" . DC A 1 10 ? -2.846 8.850 17.465 1.00 0.00 ? 6 DC A "H3'" 3 +ATOM 1318 H "H2'" . DC A 1 10 ? -1.369 6.996 17.390 1.00 0.00 ? 6 DC A "H2'" 3 +ATOM 1319 H "H2''" . DC A 1 10 ? -2.684 6.278 18.345 1.00 0.00 ? 6 DC A "H2''" 3 +ATOM 1320 H "H1'" . DC A 1 10 ? -3.738 5.350 16.364 1.00 0.00 ? 6 DC A "H1'" 3 +ATOM 1321 H H41 . DC A 1 10 ? 0.854 1.098 16.172 1.00 0.00 ? 6 DC A H41 3 +ATOM 1322 H H42 . DC A 1 10 ? 2.142 2.200 15.630 1.00 0.00 ? 6 DC A H42 3 +ATOM 1323 H H5 . DC A 1 10 ? 1.567 4.610 15.201 1.00 0.00 ? 6 DC A H5 3 +ATOM 1324 H H6 . DC A 1 10 ? -0.244 6.195 15.307 1.00 0.00 ? 6 DC A H6 3 +ATOM 1325 P P . DC A 1 11 ? -5.060 7.863 18.969 1.00 0.00 ? 7 DC A P 3 +ATOM 1326 O OP1 . DC A 1 11 ? -6.438 8.399 18.989 1.00 0.00 ? 7 DC A OP1 3 +ATOM 1327 O OP2 . DC A 1 11 ? -3.991 8.565 19.710 1.00 0.00 ? 7 DC A OP2 3 +ATOM 1328 O "O5'" . DC A 1 11 ? -5.103 6.337 19.491 1.00 0.00 ? 7 DC A "O5'" 3 +ATOM 1329 C "C5'" . DC A 1 11 ? -6.245 5.516 19.289 1.00 0.00 ? 7 DC A "C5'" 3 +ATOM 1330 C "C4'" . DC A 1 11 ? -6.130 4.176 20.039 1.00 0.00 ? 7 DC A "C4'" 3 +ATOM 1331 O "O4'" . DC A 1 11 ? -5.169 3.322 19.417 1.00 0.00 ? 7 DC A "O4'" 3 +ATOM 1332 C "C3'" . DC A 1 11 ? -5.725 4.352 21.522 1.00 0.00 ? 7 DC A "C3'" 3 +ATOM 1333 O "O3'" . DC A 1 11 ? -6.521 3.551 22.364 1.00 0.00 ? 7 DC A "O3'" 3 +ATOM 1334 C "C2'" . DC A 1 11 ? -4.295 3.833 21.478 1.00 0.00 ? 7 DC A "C2'" 3 +ATOM 1335 C "C1'" . DC A 1 11 ? -4.414 2.721 20.445 1.00 0.00 ? 7 DC A "C1'" 3 +ATOM 1336 N N1 . DC A 1 11 ? -3.071 2.332 19.969 1.00 0.00 ? 7 DC A N1 3 +ATOM 1337 C C2 . DC A 1 11 ? -2.598 1.042 20.218 1.00 0.00 ? 7 DC A C2 3 +ATOM 1338 O O2 . DC A 1 11 ? -3.340 0.150 20.608 1.00 0.00 ? 7 DC A O2 3 +ATOM 1339 N N3 . DC A 1 11 ? -1.281 0.746 20.042 1.00 0.00 ? 7 DC A N3 3 +ATOM 1340 C C4 . DC A 1 11 ? -0.459 1.728 19.703 1.00 0.00 ? 7 DC A C4 3 +ATOM 1341 N N4 . DC A 1 11 ? 0.791 1.419 19.515 1.00 0.00 ? 7 DC A N4 3 +ATOM 1342 C C5 . DC A 1 11 ? -0.880 3.073 19.538 1.00 0.00 ? 7 DC A C5 3 +ATOM 1343 C C6 . DC A 1 11 ? -2.195 3.320 19.624 1.00 0.00 ? 7 DC A C6 3 +ATOM 1344 H "H5'" . DC A 1 11 ? -6.389 5.327 18.223 1.00 0.00 ? 7 DC A "H5'" 3 +ATOM 1345 H "H5''" . DC A 1 11 ? -7.133 6.022 19.675 1.00 0.00 ? 7 DC A "H5''" 3 +ATOM 1346 H "H4'" . DC A 1 11 ? -7.102 3.681 19.986 1.00 0.00 ? 7 DC A "H4'" 3 +ATOM 1347 H "H3'" . DC A 1 11 ? -5.776 5.401 21.827 1.00 0.00 ? 7 DC A "H3'" 3 +ATOM 1348 H "H2'" . DC A 1 11 ? -3.706 4.674 21.154 1.00 0.00 ? 7 DC A "H2'" 3 +ATOM 1349 H "H2''" . DC A 1 11 ? -3.823 3.477 22.383 1.00 0.00 ? 7 DC A "H2''" 3 +ATOM 1350 H "H1'" . DC A 1 11 ? -4.981 1.904 20.886 1.00 0.00 ? 7 DC A "H1'" 3 +ATOM 1351 H H41 . DC A 1 11 ? 1.020 0.451 19.668 1.00 0.00 ? 7 DC A H41 3 +ATOM 1352 H H42 . DC A 1 11 ? 1.453 2.114 19.236 1.00 0.00 ? 7 DC A H42 3 +ATOM 1353 H H5 . DC A 1 11 ? -0.241 3.924 19.486 1.00 0.00 ? 7 DC A H5 3 +ATOM 1354 H H6 . DC A 1 11 ? -2.535 4.334 19.478 1.00 0.00 ? 7 DC A H6 3 +ATOM 1355 P P . DT A 1 12 ? -6.411 3.665 23.961 1.00 0.00 ? 8 DT A P 3 +ATOM 1356 O OP1 . DT A 1 12 ? -7.761 3.930 24.501 1.00 0.00 ? 8 DT A OP1 3 +ATOM 1357 O OP2 . DT A 1 12 ? -5.279 4.552 24.307 1.00 0.00 ? 8 DT A OP2 3 +ATOM 1358 O "O5'" . DT A 1 12 ? -5.984 2.178 24.362 1.00 0.00 ? 8 DT A "O5'" 3 +ATOM 1359 C "C5'" . DT A 1 12 ? -6.859 1.079 24.203 1.00 0.00 ? 8 DT A "C5'" 3 +ATOM 1360 C "C4'" . DT A 1 12 ? -6.266 -0.192 24.834 1.00 0.00 ? 8 DT A "C4'" 3 +ATOM 1361 O "O4'" . DT A 1 12 ? -5.080 -0.611 24.165 1.00 0.00 ? 8 DT A "O4'" 3 +ATOM 1362 C "C3'" . DT A 1 12 ? -5.887 -0.005 26.314 1.00 0.00 ? 8 DT A "C3'" 3 +ATOM 1363 O "O3'" . DT A 1 12 ? -6.004 -1.292 26.908 1.00 0.00 ? 8 DT A "O3'" 3 +ATOM 1364 C "C2'" . DT A 1 12 ? -4.448 0.455 26.193 1.00 0.00 ? 8 DT A "C2'" 3 +ATOM 1365 C "C1'" . DT A 1 12 ? -3.998 -0.437 25.062 1.00 0.00 ? 8 DT A "C1'" 3 +ATOM 1366 N N1 . DT A 1 12 ? -2.804 0.025 24.329 1.00 0.00 ? 8 DT A N1 3 +ATOM 1367 C C2 . DT A 1 12 ? -1.974 -0.969 23.830 1.00 0.00 ? 8 DT A C2 3 +ATOM 1368 O O2 . DT A 1 12 ? -2.169 -2.168 23.973 1.00 0.00 ? 8 DT A O2 3 +ATOM 1369 N N3 . DT A 1 12 ? -0.834 -0.555 23.201 1.00 0.00 ? 8 DT A N3 3 +ATOM 1370 C C4 . DT A 1 12 ? -0.444 0.748 23.032 1.00 0.00 ? 8 DT A C4 3 +ATOM 1371 O O4 . DT A 1 12 ? 0.684 0.960 22.607 1.00 0.00 ? 8 DT A O4 3 +ATOM 1372 C C5 . DT A 1 12 ? -1.453 1.749 23.394 1.00 0.00 ? 8 DT A C5 3 +ATOM 1373 C C7 . DT A 1 12 ? -1.185 3.241 23.187 1.00 0.00 ? 8 DT A C7 3 +ATOM 1374 C C6 . DT A 1 12 ? -2.601 1.356 24.015 1.00 0.00 ? 8 DT A C6 3 +ATOM 1375 H "H5'" . DT A 1 12 ? -7.046 0.900 23.142 1.00 0.00 ? 8 DT A "H5'" 3 +ATOM 1376 H "H5''" . DT A 1 12 ? -7.812 1.284 24.696 1.00 0.00 ? 8 DT A "H5''" 3 +ATOM 1377 H "H4'" . DT A 1 12 ? -7.019 -0.976 24.733 1.00 0.00 ? 8 DT A "H4'" 3 +ATOM 1378 H "H3'" . DT A 1 12 ? -6.437 0.787 26.814 1.00 0.00 ? 8 DT A "H3'" 3 +ATOM 1379 H "H2'" . DT A 1 12 ? -4.373 1.509 25.979 1.00 0.00 ? 8 DT A "H2'" 3 +ATOM 1380 H "H2''" . DT A 1 12 ? -3.885 0.266 27.080 1.00 0.00 ? 8 DT A "H2''" 3 +ATOM 1381 H "H1'" . DT A 1 12 ? -3.799 -1.352 25.620 1.00 0.00 ? 8 DT A "H1'" 3 +ATOM 1382 H H3 . DT A 1 12 ? -0.191 -1.283 22.931 1.00 0.00 ? 8 DT A H3 3 +ATOM 1383 H H71 . DT A 1 12 ? -1.645 3.835 23.980 1.00 0.00 ? 8 DT A H71 3 +ATOM 1384 H H72 . DT A 1 12 ? -0.113 3.433 23.198 1.00 0.00 ? 8 DT A H72 3 +ATOM 1385 H H73 . DT A 1 12 ? -1.573 3.576 22.230 1.00 0.00 ? 8 DT A H73 3 +ATOM 1386 H H6 . DT A 1 12 ? -3.370 2.086 24.260 1.00 0.00 ? 8 DT A H6 3 +ATOM 1387 P P . DT A 1 13 ? -5.792 -1.579 28.470 1.00 0.00 ? 9 DT A P 3 +ATOM 1388 O OP1 . DT A 1 13 ? -6.187 -2.980 28.727 1.00 0.00 ? 9 DT A OP1 3 +ATOM 1389 O OP2 . DT A 1 13 ? -6.454 -0.489 29.212 1.00 0.00 ? 9 DT A OP2 3 +ATOM 1390 O "O5'" . DT A 1 13 ? -4.189 -1.475 28.662 1.00 0.00 ? 9 DT A "O5'" 3 +ATOM 1391 C "C5'" . DT A 1 13 ? -3.327 -2.496 28.170 1.00 0.00 ? 9 DT A "C5'" 3 +ATOM 1392 C "C4'" . DT A 1 13 ? -1.847 -2.063 28.109 1.00 0.00 ? 9 DT A "C4'" 3 +ATOM 1393 O "O4'" . DT A 1 13 ? -1.625 -0.879 27.328 1.00 0.00 ? 9 DT A "O4'" 3 +ATOM 1394 C "C3'" . DT A 1 13 ? -1.258 -1.855 29.509 1.00 0.00 ? 9 DT A "C3'" 3 +ATOM 1395 O "O3'" . DT A 1 13 ? -0.567 -2.993 29.975 1.00 0.00 ? 9 DT A "O3'" 3 +ATOM 1396 C "C2'" . DT A 1 13 ? -0.263 -0.732 29.238 1.00 0.00 ? 9 DT A "C2'" 3 +ATOM 1397 C "C1'" . DT A 1 13 ? -0.802 0.039 28.036 1.00 0.00 ? 9 DT A "C1'" 3 +ATOM 1398 N N1 . DT A 1 13 ? -1.598 1.246 28.336 1.00 0.00 ? 9 DT A N1 3 +ATOM 1399 C C2 . DT A 1 13 ? -1.700 2.211 27.333 1.00 0.00 ? 9 DT A C2 3 +ATOM 1400 O O2 . DT A 1 13 ? -0.945 2.279 26.374 1.00 0.00 ? 9 DT A O2 3 +ATOM 1401 N N3 . DT A 1 13 ? -2.698 3.142 27.454 1.00 0.00 ? 9 DT A N3 3 +ATOM 1402 C C4 . DT A 1 13 ? -3.607 3.204 28.481 1.00 0.00 ? 9 DT A C4 3 +ATOM 1403 O O4 . DT A 1 13 ? -4.428 4.110 28.470 1.00 0.00 ? 9 DT A O4 3 +ATOM 1404 C C5 . DT A 1 13 ? -3.455 2.167 29.503 1.00 0.00 ? 9 DT A C5 3 +ATOM 1405 C C7 . DT A 1 13 ? -4.528 1.906 30.544 1.00 0.00 ? 9 DT A C7 3 +ATOM 1406 C C6 . DT A 1 13 ? -2.469 1.241 29.392 1.00 0.00 ? 9 DT A C6 3 +ATOM 1407 H "H5'" . DT A 1 13 ? -3.626 -2.817 27.172 1.00 0.00 ? 9 DT A "H5'" 3 +ATOM 1408 H "H5''" . DT A 1 13 ? -3.406 -3.367 28.824 1.00 0.00 ? 9 DT A "H5''" 3 +ATOM 1409 H "H4'" . DT A 1 13 ? -1.294 -2.866 27.622 1.00 0.00 ? 9 DT A "H4'" 3 +ATOM 1410 H "H3'" . DT A 1 13 ? -2.045 -1.580 30.211 1.00 0.00 ? 9 DT A "H3'" 3 +ATOM 1411 H "H2'" . DT A 1 13 ? -0.040 -0.135 30.112 1.00 0.00 ? 9 DT A "H2'" 3 +ATOM 1412 H "H2''" . DT A 1 13 ? 0.669 -1.185 28.928 1.00 0.00 ? 9 DT A "H2''" 3 +ATOM 1413 H "H1'" . DT A 1 13 ? 0.053 0.379 27.452 1.00 0.00 ? 9 DT A "H1'" 3 +ATOM 1414 H H3 . DT A 1 13 ? -2.819 3.801 26.708 1.00 0.00 ? 9 DT A H3 3 +ATOM 1415 H H71 . DT A 1 13 ? -5.309 2.668 30.532 1.00 0.00 ? 9 DT A H71 3 +ATOM 1416 H H72 . DT A 1 13 ? -4.967 0.947 30.249 1.00 0.00 ? 9 DT A H72 3 +ATOM 1417 H H73 . DT A 1 13 ? -4.105 1.826 31.546 1.00 0.00 ? 9 DT A H73 3 +ATOM 1418 H H6 . DT A 1 13 ? -2.375 0.450 30.117 1.00 0.00 ? 9 DT A H6 3 +ATOM 1419 P P . DT A 1 14 B -0.002 -3.044 31.476 1.00 0.00 ? 1 DT A P 3 +ATOM 1420 O OP1 . DT A 1 14 B -1.153 -2.990 32.401 1.00 0.00 ? 1 DT A OP1 3 +ATOM 1421 O OP2 . DT A 1 14 B 1.083 -2.046 31.599 1.00 0.00 ? 1 DT A OP2 3 +ATOM 1422 O "O5'" . DT A 1 14 B 0.653 -4.509 31.556 1.00 0.00 ? 1 DT A "O5'" 3 +ATOM 1423 C "C5'" . DT A 1 14 B 1.851 -4.821 30.863 1.00 0.00 ? 1 DT A "C5'" 3 +ATOM 1424 C "C4'" . DT A 1 14 B 1.662 -6.044 29.950 1.00 0.00 ? 1 DT A "C4'" 3 +ATOM 1425 O "O4'" . DT A 1 14 B 0.745 -5.735 28.896 1.00 0.00 ? 1 DT A "O4'" 3 +ATOM 1426 C "C3'" . DT A 1 14 B 3.007 -6.422 29.299 1.00 0.00 ? 1 DT A "C3'" 3 +ATOM 1427 O "O3'" . DT A 1 14 B 3.152 -7.829 29.218 1.00 0.00 ? 1 DT A "O3'" 3 +ATOM 1428 C "C2'" . DT A 1 14 B 2.843 -5.781 27.935 1.00 0.00 ? 1 DT A "C2'" 3 +ATOM 1429 C "C1'" . DT A 1 14 B 1.368 -6.001 27.659 1.00 0.00 ? 1 DT A "C1'" 3 +ATOM 1430 N N1 . DT A 1 14 B 0.895 -5.076 26.601 1.00 0.00 ? 1 DT A N1 3 +ATOM 1431 C C2 . DT A 1 14 B 0.318 -5.634 25.462 1.00 0.00 ? 1 DT A C2 3 +ATOM 1432 O O2 . DT A 1 14 B -0.111 -6.778 25.391 1.00 0.00 ? 1 DT A O2 3 +ATOM 1433 N N3 . DT A 1 14 B 0.224 -4.822 24.361 1.00 0.00 ? 1 DT A N3 3 +ATOM 1434 C C4 . DT A 1 14 B 0.576 -3.497 24.320 1.00 0.00 ? 1 DT A C4 3 +ATOM 1435 O O4 . DT A 1 14 B 0.557 -2.930 23.235 1.00 0.00 ? 1 DT A O4 3 +ATOM 1436 C C5 . DT A 1 14 B 0.957 -2.908 25.608 1.00 0.00 ? 1 DT A C5 3 +ATOM 1437 C C7 . DT A 1 14 B 1.164 -1.396 25.730 1.00 0.00 ? 1 DT A C7 3 +ATOM 1438 C C6 . DT A 1 14 B 1.109 -3.714 26.699 1.00 0.00 ? 1 DT A C6 3 +ATOM 1439 H "H5'" . DT A 1 14 B 2.604 -5.053 31.618 1.00 0.00 ? 1 DT A "H5'" 3 +ATOM 1440 H "H5''" . DT A 1 14 B 2.225 -3.989 30.261 1.00 0.00 ? 1 DT A "H5''" 3 +ATOM 1441 H "H4'" . DT A 1 14 B 1.282 -6.875 30.545 1.00 0.00 ? 1 DT A "H4'" 3 +ATOM 1442 H "H3'" . DT A 1 14 B 3.844 -5.957 29.821 1.00 0.00 ? 1 DT A "H3'" 3 +ATOM 1443 H "H2'" . DT A 1 14 B 3.123 -4.732 28.008 1.00 0.00 ? 1 DT A "H2'" 3 +ATOM 1444 H "H2''" . DT A 1 14 B 3.426 -6.268 27.172 1.00 0.00 ? 1 DT A "H2''" 3 +ATOM 1445 H "H1'" . DT A 1 14 B 1.250 -7.054 27.400 1.00 0.00 ? 1 DT A "H1'" 3 +ATOM 1446 H H3 . DT A 1 14 B -0.179 -5.210 23.531 1.00 0.00 ? 1 DT A H3 3 +ATOM 1447 H H71 . DT A 1 14 B 1.711 -1.139 26.638 1.00 0.00 ? 1 DT A H71 3 +ATOM 1448 H H72 . DT A 1 14 B 0.192 -0.885 25.731 1.00 0.00 ? 1 DT A H72 3 +ATOM 1449 H H73 . DT A 1 14 B 1.739 -1.030 24.877 1.00 0.00 ? 1 DT A H73 3 +ATOM 1450 H H6 . DT A 1 14 B 1.418 -3.318 27.669 1.00 0.00 ? 1 DT A H6 3 +ATOM 1451 P P . DU A 1 15 B 4.487 -8.523 28.635 1.00 0.00 ? 2 DU A P 3 +ATOM 1452 O OP1 . DU A 1 15 B 4.503 -9.932 29.074 1.00 0.00 ? 2 DU A OP1 3 +ATOM 1453 O OP2 . DU A 1 15 B 5.635 -7.637 28.919 1.00 0.00 ? 2 DU A OP2 3 +ATOM 1454 O "O5'" . DU A 1 15 B 4.224 -8.515 27.047 1.00 0.00 ? 2 DU A "O5'" 3 +ATOM 1455 C "C5'" . DU A 1 15 B 3.137 -9.224 26.488 1.00 0.00 ? 2 DU A "C5'" 3 +ATOM 1456 C "C4'" . DU A 1 15 B 2.727 -8.718 25.085 1.00 0.00 ? 2 DU A "C4'" 3 +ATOM 1457 O "O4'" . DU A 1 15 B 2.641 -7.305 24.955 1.00 0.00 ? 2 DU A "O4'" 3 +ATOM 1458 C "C3'" . DU A 1 15 B 3.427 -9.290 23.843 1.00 0.00 ? 2 DU A "C3'" 3 +ATOM 1459 O "O3'" . DU A 1 15 B 2.538 -10.225 23.206 1.00 0.00 ? 2 DU A "O3'" 3 +ATOM 1460 C "C2'" . DU A 1 15 B 3.726 -8.050 22.974 1.00 0.00 ? 2 DU A "C2'" 3 +ATOM 1461 C "C1'" . DU A 1 15 B 3.149 -6.837 23.707 1.00 0.00 ? 2 DU A "C1'" 3 +ATOM 1462 N N1 . DU A 1 15 B 4.145 -5.847 24.063 1.00 0.00 ? 2 DU A N1 3 +ATOM 1463 C C2 . DU A 1 15 B 4.099 -4.533 23.778 1.00 0.00 ? 2 DU A C2 3 +ATOM 1464 O O2 . DU A 1 15 B 3.434 -4.065 22.866 1.00 0.00 ? 2 DU A O2 3 +ATOM 1465 N N3 . DU A 1 15 B 4.724 -3.637 24.621 1.00 0.00 ? 2 DU A N3 3 +ATOM 1466 C C4 . DU A 1 15 B 5.292 -3.977 25.831 1.00 0.00 ? 2 DU A C4 3 +ATOM 1467 O O4 . DU A 1 15 B 5.613 -3.084 26.602 1.00 0.00 ? 2 DU A O4 3 +ATOM 1468 C C5 . DU A 1 15 B 5.463 -5.405 26.032 1.00 0.00 ? 2 DU A C5 3 +ATOM 1469 C C6 . DU A 1 15 B 5.051 -6.288 25.115 1.00 0.00 ? 2 DU A C6 3 +ATOM 1470 H "H5'" . DU A 1 15 B 2.255 -9.120 27.124 1.00 0.00 ? 2 DU A "H5'" 3 +ATOM 1471 H "H5''" . DU A 1 15 B 3.380 -10.286 26.430 1.00 0.00 ? 2 DU A "H5''" 3 +ATOM 1472 H "H4'" . DU A 1 15 B 1.682 -8.941 25.037 1.00 0.00 ? 2 DU A "H4'" 3 +ATOM 1473 H "H3'" . DU A 1 15 B 4.354 -9.801 24.150 1.00 0.00 ? 2 DU A "H3'" 3 +ATOM 1474 H "H2'" . DU A 1 15 B 4.808 -7.953 22.807 1.00 0.00 ? 2 DU A "H2'" 3 +ATOM 1475 H "H2''" . DU A 1 15 B 3.237 -8.125 21.998 1.00 0.00 ? 2 DU A "H2''" 3 +ATOM 1476 H "H1'" . DU A 1 15 B 2.309 -6.405 23.143 1.00 0.00 ? 2 DU A "H1'" 3 +ATOM 1477 H H3 . DU A 1 15 B 4.580 -2.664 24.435 1.00 0.00 ? 2 DU A H3 3 +ATOM 1478 H H5 . DU A 1 15 B 5.790 -5.896 26.926 1.00 0.00 ? 2 DU A H5 3 +ATOM 1479 H H6 . DU A 1 15 B 5.300 -7.327 25.242 1.00 0.00 ? 2 DU A H6 3 +ATOM 1480 P P . DG A 1 16 B 3.210 -11.010 21.950 1.00 0.00 ? 3 DG A P 3 +ATOM 1481 O OP1 . DG A 1 16 B 2.397 -12.214 21.678 1.00 0.00 ? 3 DG A OP1 3 +ATOM 1482 O OP2 . DG A 1 16 B 4.660 -11.158 22.213 1.00 0.00 ? 3 DG A OP2 3 +ATOM 1483 O "O5'" . DG A 1 16 B 3.041 -10.011 20.694 1.00 0.00 ? 3 DG A "O5'" 3 +ATOM 1484 C "C5'" . DG A 1 16 B 1.836 -9.908 19.948 1.00 0.00 ? 3 DG A "C5'" 3 +ATOM 1485 C "C4'" . DG A 1 16 B 0.637 -9.313 20.721 1.00 0.00 ? 3 DG A "C4'" 3 +ATOM 1486 O "O4'" . DG A 1 16 B 0.951 -8.003 21.192 1.00 0.00 ? 3 DG A "O4'" 3 +ATOM 1487 C "C3'" . DG A 1 16 B -0.576 -9.172 19.780 1.00 0.00 ? 3 DG A "C3'" 3 +ATOM 1488 O "O3'" . DG A 1 16 B -1.785 -9.366 20.489 1.00 0.00 ? 3 DG A "O3'" 3 +ATOM 1489 C "C2'" . DG A 1 16 B -0.448 -7.720 19.346 1.00 0.00 ? 3 DG A "C2'" 3 +ATOM 1490 C "C1'" . DG A 1 16 B 0.032 -7.077 20.642 1.00 0.00 ? 3 DG A "C1'" 3 +ATOM 1491 N N9 . DG A 1 16 B 0.711 -5.795 20.378 1.00 0.00 ? 3 DG A N9 3 +ATOM 1492 C C8 . DG A 1 16 B 1.979 -5.586 19.898 1.00 0.00 ? 3 DG A C8 3 +ATOM 1493 N N7 . DG A 1 16 B 2.283 -4.332 19.716 1.00 0.00 ? 3 DG A N7 3 +ATOM 1494 C C5 . DG A 1 16 B 1.116 -3.655 20.091 1.00 0.00 ? 3 DG A C5 3 +ATOM 1495 C C6 . DG A 1 16 B 0.765 -2.263 20.079 1.00 0.00 ? 3 DG A C6 3 +ATOM 1496 O O6 . DG A 1 16 B 1.467 -1.301 19.798 1.00 0.00 ? 3 DG A O6 3 +ATOM 1497 N N1 . DG A 1 16 B -0.548 -1.999 20.423 1.00 0.00 ? 3 DG A N1 3 +ATOM 1498 C C2 . DG A 1 16 B -1.419 -2.968 20.796 1.00 0.00 ? 3 DG A C2 3 +ATOM 1499 N N2 . DG A 1 16 B -2.663 -2.603 20.931 1.00 0.00 ? 3 DG A N2 3 +ATOM 1500 N N3 . DG A 1 16 B -1.135 -4.268 20.836 1.00 0.00 ? 3 DG A N3 3 +ATOM 1501 C C4 . DG A 1 16 B 0.148 -4.549 20.476 1.00 0.00 ? 3 DG A C4 3 +ATOM 1502 H "H5'" . DG A 1 16 B 1.566 -10.890 19.555 1.00 0.00 ? 3 DG A "H5'" 3 +ATOM 1503 H "H5''" . DG A 1 16 B 2.052 -9.262 19.096 1.00 0.00 ? 3 DG A "H5''" 3 +ATOM 1504 H "H4'" . DG A 1 16 B 0.383 -9.968 21.556 1.00 0.00 ? 3 DG A "H4'" 3 +ATOM 1505 H "H3'" . DG A 1 16 B -0.488 -9.858 18.934 1.00 0.00 ? 3 DG A "H3'" 3 +ATOM 1506 H "H2'" . DG A 1 16 B 0.306 -7.636 18.563 1.00 0.00 ? 3 DG A "H2'" 3 +ATOM 1507 H "H2''" . DG A 1 16 B -1.387 -7.291 19.005 1.00 0.00 ? 3 DG A "H2''" 3 +ATOM 1508 H "H1'" . DG A 1 16 B -0.803 -6.953 21.336 1.00 0.00 ? 3 DG A "H1'" 3 +ATOM 1509 H H8 . DG A 1 16 B 2.664 -6.389 19.669 1.00 0.00 ? 3 DG A H8 3 +ATOM 1510 H H1 . DG A 1 16 B -0.856 -1.034 20.367 1.00 0.00 ? 3 DG A H1 3 +ATOM 1511 H H21 . DG A 1 16 B -2.941 -1.640 20.813 1.00 0.00 ? 3 DG A H21 3 +ATOM 1512 H H22 . DG A 1 16 B -3.312 -3.357 21.072 1.00 0.00 ? 3 DG A H22 3 +ATOM 1513 P P . DG A 1 17 B -3.177 -9.615 19.719 1.00 0.00 ? 4 DG A P 3 +ATOM 1514 O OP1 . DG A 1 17 B -4.121 -10.221 20.682 1.00 0.00 ? 4 DG A OP1 3 +ATOM 1515 O OP2 . DG A 1 17 B -2.871 -10.320 18.456 1.00 0.00 ? 4 DG A OP2 3 +ATOM 1516 O "O5'" . DG A 1 17 B -3.716 -8.140 19.347 1.00 0.00 ? 4 DG A "O5'" 3 +ATOM 1517 C "C5'" . DG A 1 17 B -4.492 -7.378 20.260 1.00 0.00 ? 4 DG A "C5'" 3 +ATOM 1518 C "C4'" . DG A 1 17 B -5.025 -6.072 19.638 1.00 0.00 ? 4 DG A "C4'" 3 +ATOM 1519 O "O4'" . DG A 1 17 B -4.007 -5.073 19.547 1.00 0.00 ? 4 DG A "O4'" 3 +ATOM 1520 C "C3'" . DG A 1 17 B -5.601 -6.262 18.216 1.00 0.00 ? 4 DG A "C3'" 3 +ATOM 1521 O "O3'" . DG A 1 17 B -6.783 -5.487 18.082 1.00 0.00 ? 4 DG A "O3'" 3 +ATOM 1522 C "C2'" . DG A 1 17 B -4.467 -5.669 17.387 1.00 0.00 ? 4 DG A "C2'" 3 +ATOM 1523 C "C1'" . DG A 1 17 B -4.109 -4.479 18.265 1.00 0.00 ? 4 DG A "C1'" 3 +ATOM 1524 N N9 . DG A 1 17 B -2.853 -3.821 17.862 1.00 0.00 ? 4 DG A N9 3 +ATOM 1525 C C8 . DG A 1 17 B -1.622 -4.369 17.622 1.00 0.00 ? 4 DG A C8 3 +ATOM 1526 N N7 . DG A 1 17 B -0.701 -3.502 17.297 1.00 0.00 ? 4 DG A N7 3 +ATOM 1527 C C5 . DG A 1 17 B -1.387 -2.280 17.292 1.00 0.00 ? 4 DG A C5 3 +ATOM 1528 C C6 . DG A 1 17 B -0.978 -0.934 16.990 1.00 0.00 ? 4 DG A C6 3 +ATOM 1529 O O6 . DG A 1 17 B 0.133 -0.516 16.692 1.00 0.00 ? 4 DG A O6 3 +ATOM 1530 N N1 . DG A 1 17 B -2.002 -0.005 17.024 1.00 0.00 ? 4 DG A N1 3 +ATOM 1531 C C2 . DG A 1 17 B -3.275 -0.326 17.362 1.00 0.00 ? 4 DG A C2 3 +ATOM 1532 N N2 . DG A 1 17 B -4.174 0.612 17.293 1.00 0.00 ? 4 DG A N2 3 +ATOM 1533 N N3 . DG A 1 17 B -3.693 -1.548 17.661 1.00 0.00 ? 4 DG A N3 3 +ATOM 1534 C C4 . DG A 1 17 B -2.708 -2.483 17.609 1.00 0.00 ? 4 DG A C4 3 +ATOM 1535 H "H5'" . DG A 1 17 B -3.907 -7.144 21.152 1.00 0.00 ? 4 DG A "H5'" 3 +ATOM 1536 H "H5''" . DG A 1 17 B -5.363 -7.965 20.561 1.00 0.00 ? 4 DG A "H5''" 3 +ATOM 1537 H "H4'" . DG A 1 17 B -5.808 -5.706 20.308 1.00 0.00 ? 4 DG A "H4'" 3 +ATOM 1538 H "H3'" . DG A 1 17 B -5.789 -7.311 17.978 1.00 0.00 ? 4 DG A "H3'" 3 +ATOM 1539 H "H2'" . DG A 1 17 B -3.644 -6.382 17.343 1.00 0.00 ? 4 DG A "H2'" 3 +ATOM 1540 H "H2''" . DG A 1 17 B -4.759 -5.400 16.379 1.00 0.00 ? 4 DG A "H2''" 3 +ATOM 1541 H "H1'" . DG A 1 17 B -4.926 -3.755 18.252 1.00 0.00 ? 4 DG A "H1'" 3 +ATOM 1542 H H8 . DG A 1 17 B -1.433 -5.428 17.698 1.00 0.00 ? 4 DG A H8 3 +ATOM 1543 H H1 . DG A 1 17 B -1.748 0.950 16.794 1.00 0.00 ? 4 DG A H1 3 +ATOM 1544 H H21 . DG A 1 17 B -3.930 1.552 17.020 1.00 0.00 ? 4 DG A H21 3 +ATOM 1545 H H22 . DG A 1 17 B -5.118 0.303 17.442 1.00 0.00 ? 4 DG A H22 3 +ATOM 1546 P P . DA A 1 18 B -7.639 -5.438 16.719 1.00 0.00 ? 5 DA A P 3 +ATOM 1547 O OP1 . DA A 1 18 B -9.065 -5.583 17.082 1.00 0.00 ? 5 DA A OP1 3 +ATOM 1548 O OP2 . DA A 1 18 B -7.033 -6.373 15.748 1.00 0.00 ? 5 DA A OP2 3 +ATOM 1549 O "O5'" . DA A 1 18 B -7.411 -3.932 16.175 1.00 0.00 ? 5 DA A "O5'" 3 +ATOM 1550 C "C5'" . DA A 1 18 B -8.006 -2.816 16.825 1.00 0.00 ? 5 DA A "C5'" 3 +ATOM 1551 C "C4'" . DA A 1 18 B -7.880 -1.508 16.016 1.00 0.00 ? 5 DA A "C4'" 3 +ATOM 1552 O "O4'" . DA A 1 18 B -6.531 -1.052 15.961 1.00 0.00 ? 5 DA A "O4'" 3 +ATOM 1553 C "C3'" . DA A 1 18 B -8.390 -1.638 14.568 1.00 0.00 ? 5 DA A "C3'" 3 +ATOM 1554 O "O3'" . DA A 1 18 B -9.158 -0.503 14.210 1.00 0.00 ? 5 DA A "O3'" 3 +ATOM 1555 C "C2'" . DA A 1 18 B -7.086 -1.686 13.797 1.00 0.00 ? 5 DA A "C2'" 3 +ATOM 1556 C "C1'" . DA A 1 18 B -6.211 -0.742 14.618 1.00 0.00 ? 5 DA A "C1'" 3 +ATOM 1557 N N9 . DA A 1 18 B -4.786 -1.042 14.408 1.00 0.00 ? 5 DA A N9 3 +ATOM 1558 C C8 . DA A 1 18 B -4.169 -2.256 14.539 1.00 0.00 ? 5 DA A C8 3 +ATOM 1559 N N7 . DA A 1 18 B -2.886 -2.240 14.304 1.00 0.00 ? 5 DA A N7 3 +ATOM 1560 C C5 . DA A 1 18 B -2.644 -0.898 13.992 1.00 0.00 ? 5 DA A C5 3 +ATOM 1561 C C6 . DA A 1 18 B -1.503 -0.151 13.629 1.00 0.00 ? 5 DA A C6 3 +ATOM 1562 N N6 . DA A 1 18 B -0.296 -0.667 13.519 1.00 0.00 ? 5 DA A N6 3 +ATOM 1563 N N1 . DA A 1 18 B -1.585 1.157 13.357 1.00 0.00 ? 5 DA A N1 3 +ATOM 1564 C C2 . DA A 1 18 B -2.773 1.741 13.470 1.00 0.00 ? 5 DA A C2 3 +ATOM 1565 N N3 . DA A 1 18 B -3.927 1.170 13.800 1.00 0.00 ? 5 DA A N3 3 +ATOM 1566 C C4 . DA A 1 18 B -3.797 -0.162 14.051 1.00 0.00 ? 5 DA A C4 3 +ATOM 1567 H "H5'" . DA A 1 18 B -7.550 -2.675 17.807 1.00 0.00 ? 5 DA A "H5'" 3 +ATOM 1568 H "H5''" . DA A 1 18 B -9.074 -2.998 16.966 1.00 0.00 ? 5 DA A "H5''" 3 +ATOM 1569 H "H4'" . DA A 1 18 B -8.467 -0.749 16.537 1.00 0.00 ? 5 DA A "H4'" 3 +ATOM 1570 H "H3'" . DA A 1 18 B -8.941 -2.566 14.418 1.00 0.00 ? 5 DA A "H3'" 3 +ATOM 1571 H "H2'" . DA A 1 18 B -6.736 -2.717 13.825 1.00 0.00 ? 5 DA A "H2'" 3 +ATOM 1572 H "H2''" . DA A 1 18 B -7.204 -1.383 12.763 1.00 0.00 ? 5 DA A "H2''" 3 +ATOM 1573 H "H1'" . DA A 1 18 B -6.460 0.299 14.402 1.00 0.00 ? 5 DA A "H1'" 3 +ATOM 1574 H H8 . DA A 1 18 B -4.721 -3.143 14.801 1.00 0.00 ? 5 DA A H8 3 +ATOM 1575 H H61 . DA A 1 18 B 0.455 -0.051 13.249 1.00 0.00 ? 5 DA A H61 3 +ATOM 1576 H H62 . DA A 1 18 B -0.154 -1.634 13.754 1.00 0.00 ? 5 DA A H62 3 +ATOM 1577 H H2 . DA A 1 18 B -2.812 2.796 13.252 1.00 0.00 ? 5 DA A H2 3 +ATOM 1578 P P . DT A 1 19 B -9.895 -0.384 12.782 1.00 0.00 ? 6 DT A P 3 +ATOM 1579 O OP1 . DT A 1 19 B -11.257 0.141 13.015 1.00 0.00 ? 6 DT A OP1 3 +ATOM 1580 O OP2 . DT A 1 19 B -9.710 -1.653 12.047 1.00 0.00 ? 6 DT A OP2 3 +ATOM 1581 O "O5'" . DT A 1 19 B -9.039 0.756 12.031 1.00 0.00 ? 6 DT A "O5'" 3 +ATOM 1582 C "C5'" . DT A 1 19 B -9.129 2.114 12.431 1.00 0.00 ? 6 DT A "C5'" 3 +ATOM 1583 C "C4'" . DT A 1 19 B -8.245 3.034 11.571 1.00 0.00 ? 6 DT A "C4'" 3 +ATOM 1584 O "O4'" . DT A 1 19 B -6.869 2.705 11.738 1.00 0.00 ? 6 DT A "O4'" 3 +ATOM 1585 C "C3'" . DT A 1 19 B -8.569 2.980 10.063 1.00 0.00 ? 6 DT A "C3'" 3 +ATOM 1586 O "O3'" . DT A 1 19 B -8.648 4.288 9.526 1.00 0.00 ? 6 DT A "O3'" 3 +ATOM 1587 C "C2'" . DT A 1 19 B -7.355 2.234 9.520 1.00 0.00 ? 6 DT A "C2'" 3 +ATOM 1588 C "C1'" . DT A 1 19 B -6.259 2.713 10.467 1.00 0.00 ? 6 DT A "C1'" 3 +ATOM 1589 N N1 . DT A 1 19 B -5.076 1.813 10.484 1.00 0.00 ? 6 DT A N1 3 +ATOM 1590 C C2 . DT A 1 19 B -3.833 2.364 10.176 1.00 0.00 ? 6 DT A C2 3 +ATOM 1591 O O2 . DT A 1 19 B -3.645 3.537 9.895 1.00 0.00 ? 6 DT A O2 3 +ATOM 1592 N N3 . DT A 1 19 B -2.763 1.509 10.158 1.00 0.00 ? 6 DT A N3 3 +ATOM 1593 C C4 . DT A 1 19 B -2.814 0.159 10.397 1.00 0.00 ? 6 DT A C4 3 +ATOM 1594 O O4 . DT A 1 19 B -1.782 -0.488 10.288 1.00 0.00 ? 6 DT A O4 3 +ATOM 1595 C C5 . DT A 1 19 B -4.129 -0.366 10.760 1.00 0.00 ? 6 DT A C5 3 +ATOM 1596 C C7 . DT A 1 19 B -4.333 -1.858 11.033 1.00 0.00 ? 6 DT A C7 3 +ATOM 1597 C C6 . DT A 1 19 B -5.199 0.472 10.802 1.00 0.00 ? 6 DT A C6 3 +ATOM 1598 H "H5'" . DT A 1 19 B -8.820 2.214 13.475 1.00 0.00 ? 6 DT A "H5'" 3 +ATOM 1599 H "H5''" . DT A 1 19 B -10.161 2.460 12.341 1.00 0.00 ? 6 DT A "H5''" 3 +ATOM 1600 H "H4'" . DT A 1 19 B -8.392 4.055 11.931 1.00 0.00 ? 6 DT A "H4'" 3 +ATOM 1601 H "H3'" . DT A 1 19 B -9.497 2.431 9.879 1.00 0.00 ? 6 DT A "H3'" 3 +ATOM 1602 H "H2'" . DT A 1 19 B -7.549 1.173 9.617 1.00 0.00 ? 6 DT A "H2'" 3 +ATOM 1603 H "H2''" . DT A 1 19 B -7.140 2.466 8.480 1.00 0.00 ? 6 DT A "H2''" 3 +ATOM 1604 H "H1'" . DT A 1 19 B -6.027 3.742 10.201 1.00 0.00 ? 6 DT A "H1'" 3 +ATOM 1605 H H3 . DT A 1 19 B -1.867 1.924 9.927 1.00 0.00 ? 6 DT A H3 3 +ATOM 1606 H H71 . DT A 1 19 B -4.441 -2.391 10.087 1.00 0.00 ? 6 DT A H71 3 +ATOM 1607 H H72 . DT A 1 19 B -3.475 -2.273 11.564 1.00 0.00 ? 6 DT A H72 3 +ATOM 1608 H H73 . DT A 1 19 B -5.224 -2.047 11.633 1.00 0.00 ? 6 DT A H73 3 +ATOM 1609 H H6 . DT A 1 19 B -6.156 0.077 11.113 1.00 0.00 ? 6 DT A H6 3 +ATOM 1610 P P . DC A 1 20 B -9.050 4.553 7.989 1.00 0.00 ? 7 DC A P 3 +ATOM 1611 O OP1 . DC A 1 20 B -9.947 5.727 7.947 1.00 0.00 ? 7 DC A OP1 3 +ATOM 1612 O OP2 . DC A 1 20 B -9.478 3.274 7.385 1.00 0.00 ? 7 DC A OP2 3 +ATOM 1613 O "O5'" . DC A 1 20 B -7.644 4.973 7.325 1.00 0.00 ? 7 DC A "O5'" 3 +ATOM 1614 C "C5'" . DC A 1 20 B -7.058 6.234 7.605 1.00 0.00 ? 7 DC A "C5'" 3 +ATOM 1615 C "C4'" . DC A 1 20 B -5.706 6.413 6.897 1.00 0.00 ? 7 DC A "C4'" 3 +ATOM 1616 O "O4'" . DC A 1 20 B -4.758 5.469 7.388 1.00 0.00 ? 7 DC A "O4'" 3 +ATOM 1617 C "C3'" . DC A 1 20 B -5.777 6.254 5.362 1.00 0.00 ? 7 DC A "C3'" 3 +ATOM 1618 O "O3'" . DC A 1 20 B -5.024 7.282 4.744 1.00 0.00 ? 7 DC A "O3'" 3 +ATOM 1619 C "C2'" . DC A 1 20 B -5.102 4.901 5.177 1.00 0.00 ? 7 DC A "C2'" 3 +ATOM 1620 C "C1'" . DC A 1 20 B -4.051 4.960 6.282 1.00 0.00 ? 7 DC A "C1'" 3 +ATOM 1621 N N1 . DC A 1 20 B -3.510 3.617 6.600 1.00 0.00 ? 7 DC A N1 3 +ATOM 1622 C C2 . DC A 1 20 B -2.135 3.415 6.526 1.00 0.00 ? 7 DC A C2 3 +ATOM 1623 O O2 . DC A 1 20 B -1.363 4.335 6.297 1.00 0.00 ? 7 DC A O2 3 +ATOM 1624 N N3 . DC A 1 20 B -1.612 2.172 6.676 1.00 0.00 ? 7 DC A N3 3 +ATOM 1625 C C4 . DC A 1 20 B -2.429 1.178 6.971 1.00 0.00 ? 7 DC A C4 3 +ATOM 1626 N N4 . DC A 1 20 B -1.871 0.007 7.080 1.00 0.00 ? 7 DC A N4 3 +ATOM 1627 C C5 . DC A 1 20 B -3.839 1.327 7.105 1.00 0.00 ? 7 DC A C5 3 +ATOM 1628 C C6 . DC A 1 20 B -4.340 2.571 6.918 1.00 0.00 ? 7 DC A C6 3 +ATOM 1629 H "H5'" . DC A 1 20 B -6.901 6.343 8.680 1.00 0.00 ? 7 DC A "H5'" 3 +ATOM 1630 H "H5''" . DC A 1 20 B -7.725 7.032 7.269 1.00 0.00 ? 7 DC A "H5''" 3 +ATOM 1631 H "H4'" . DC A 1 20 B -5.343 7.414 7.140 1.00 0.00 ? 7 DC A "H4'" 3 +ATOM 1632 H "H3'" . DC A 1 20 B -6.809 6.254 5.003 1.00 0.00 ? 7 DC A "H3'" 3 +ATOM 1633 H "H2'" . DC A 1 20 B -5.847 4.126 5.355 1.00 0.00 ? 7 DC A "H2'" 3 +ATOM 1634 H "H2''" . DC A 1 20 B -4.665 4.763 4.190 1.00 0.00 ? 7 DC A "H2''" 3 +ATOM 1635 H "H1'" . DC A 1 20 B -3.287 5.688 5.997 1.00 0.00 ? 7 DC A "H1'" 3 +ATOM 1636 H H41 . DC A 1 20 B -0.873 0.019 6.928 1.00 0.00 ? 7 DC A H41 3 +ATOM 1637 H H42 . DC A 1 20 B -2.393 -0.805 7.346 1.00 0.00 ? 7 DC A H42 3 +ATOM 1638 H H5 . DC A 1 20 B -4.500 0.511 7.339 1.00 0.00 ? 7 DC A H5 3 +ATOM 1639 H H6 . DC A 1 20 B -5.404 2.739 7.017 1.00 0.00 ? 7 DC A H6 3 +ATOM 1640 P P . DC A 1 21 B -4.950 7.451 3.145 1.00 0.00 ? 8 DC A P 3 +ATOM 1641 O OP1 . DC A 1 21 B -5.260 8.859 2.821 1.00 0.00 ? 8 DC A OP1 3 +ATOM 1642 O OP2 . DC A 1 21 B -5.721 6.360 2.512 1.00 0.00 ? 8 DC A OP2 3 +ATOM 1643 O "O5'" . DC A 1 21 B -3.388 7.196 2.848 1.00 0.00 ? 8 DC A "O5'" 3 +ATOM 1644 C "C5'" . DC A 1 21 B -2.404 8.125 3.275 1.00 0.00 ? 8 DC A "C5'" 3 +ATOM 1645 C "C4'" . DC A 1 21 B -0.985 7.702 2.857 1.00 0.00 ? 8 DC A "C4'" 3 +ATOM 1646 O "O4'" . DC A 1 21 B -0.619 6.477 3.490 1.00 0.00 ? 8 DC A "O4'" 3 +ATOM 1647 C "C3'" . DC A 1 21 B -0.831 7.519 1.335 1.00 0.00 ? 8 DC A "C3'" 3 +ATOM 1648 O "O3'" . DC A 1 21 B 0.393 8.076 0.884 1.00 0.00 ? 8 DC A "O3'" 3 +ATOM 1649 C "C2'" . DC A 1 21 B -0.825 6.011 1.228 1.00 0.00 ? 8 DC A "C2'" 3 +ATOM 1650 C "C1'" . DC A 1 21 B -0.118 5.593 2.508 1.00 0.00 ? 8 DC A "C1'" 3 +ATOM 1651 N N1 . DC A 1 21 B -0.472 4.194 2.853 1.00 0.00 ? 8 DC A N1 3 +ATOM 1652 C C2 . DC A 1 21 B 0.505 3.207 2.764 1.00 0.00 ? 8 DC A C2 3 +ATOM 1653 O O2 . DC A 1 21 B 1.652 3.465 2.428 1.00 0.00 ? 8 DC A O2 3 +ATOM 1654 N N3 . DC A 1 21 B 0.210 1.915 3.054 1.00 0.00 ? 8 DC A N3 3 +ATOM 1655 C C4 . DC A 1 21 B -1.019 1.623 3.444 1.00 0.00 ? 8 DC A C4 3 +ATOM 1656 N N4 . DC A 1 21 B -1.235 0.376 3.745 1.00 0.00 ? 8 DC A N4 3 +ATOM 1657 C C5 . DC A 1 21 B -2.071 2.579 3.524 1.00 0.00 ? 8 DC A C5 3 +ATOM 1658 C C6 . DC A 1 21 B -1.752 3.860 3.221 1.00 0.00 ? 8 DC A C6 3 +ATOM 1659 H "H5'" . DC A 1 21 B -2.430 8.221 4.362 1.00 0.00 ? 8 DC A "H5'" 3 +ATOM 1660 H "H5''" . DC A 1 21 B -2.605 9.105 2.836 1.00 0.00 ? 8 DC A "H5''" 3 +ATOM 1661 H "H4'" . DC A 1 21 B -0.299 8.480 3.196 1.00 0.00 ? 8 DC A "H4'" 3 +ATOM 1662 H "H3'" . DC A 1 21 B -1.678 7.907 0.769 1.00 0.00 ? 8 DC A "H3'" 3 +ATOM 1663 H "H2'" . DC A 1 21 B -1.855 5.656 1.188 1.00 0.00 ? 8 DC A "H2'" 3 +ATOM 1664 H "H2''" . DC A 1 21 B -0.288 5.709 0.345 1.00 0.00 ? 8 DC A "H2''" 3 +ATOM 1665 H "H1'" . DC A 1 21 B 0.955 5.774 2.412 1.00 0.00 ? 8 DC A "H1'" 3 +ATOM 1666 H H41 . DC A 1 21 B -0.418 -0.208 3.665 1.00 0.00 ? 8 DC A H41 3 +ATOM 1667 H H42 . DC A 1 21 B -2.117 0.070 4.105 1.00 0.00 ? 8 DC A H42 3 +ATOM 1668 H H5 . DC A 1 21 B -3.071 2.327 3.840 1.00 0.00 ? 8 DC A H5 3 +ATOM 1669 H H6 . DC A 1 21 B -2.517 4.625 3.255 1.00 0.00 ? 8 DC A H6 3 +ATOM 1670 P P . DT A 1 22 B 0.765 8.165 -0.683 1.00 0.00 ? 9 DT A P 3 +ATOM 1671 O OP1 . DT A 1 22 B 1.740 9.261 -0.860 1.00 0.00 ? 9 DT A OP1 3 +ATOM 1672 O OP2 . DT A 1 22 B -0.491 8.168 -1.463 1.00 0.00 ? 9 DT A OP2 3 +ATOM 1673 O "O5'" . DT A 1 22 B 1.525 6.775 -0.980 1.00 0.00 ? 9 DT A "O5'" 3 +ATOM 1674 C "C5'" . DT A 1 22 B 2.829 6.534 -0.481 1.00 0.00 ? 9 DT A "C5'" 3 +ATOM 1675 C "C4'" . DT A 1 22 B 3.363 5.160 -0.915 1.00 0.00 ? 9 DT A "C4'" 3 +ATOM 1676 O "O4'" . DT A 1 22 B 2.660 4.085 -0.309 1.00 0.00 ? 9 DT A "O4'" 3 +ATOM 1677 C "C3'" . DT A 1 22 B 3.325 4.901 -2.432 1.00 0.00 ? 9 DT A "C3'" 3 +ATOM 1678 O "O3'" . DT A 1 22 B 4.609 4.634 -2.959 1.00 0.00 ? 9 DT A "O3'" 3 +ATOM 1679 C "C2'" . DT A 1 22 B 2.464 3.653 -2.564 1.00 0.00 ? 9 DT A "C2'" 3 +ATOM 1680 C "C1'" . DT A 1 22 B 2.708 2.998 -1.208 1.00 0.00 ? 9 DT A "C1'" 3 +ATOM 1681 N N1 . DT A 1 22 B 1.642 2.033 -0.844 1.00 0.00 ? 9 DT A N1 3 +ATOM 1682 C C2 . DT A 1 22 B 2.024 0.726 -0.559 1.00 0.00 ? 9 DT A C2 3 +ATOM 1683 O O2 . DT A 1 22 B 3.154 0.285 -0.709 1.00 0.00 ? 9 DT A O2 3 +ATOM 1684 N N3 . DT A 1 22 B 1.048 -0.114 -0.102 1.00 0.00 ? 9 DT A N3 3 +ATOM 1685 C C4 . DT A 1 22 B -0.259 0.216 0.136 1.00 0.00 ? 9 DT A C4 3 +ATOM 1686 O O4 . DT A 1 22 B -0.985 -0.654 0.604 1.00 0.00 ? 9 DT A O4 3 +ATOM 1687 C C5 . DT A 1 22 B -0.629 1.584 -0.243 1.00 0.00 ? 9 DT A C5 3 +ATOM 1688 C C7 . DT A 1 22 B -2.068 2.089 -0.150 1.00 0.00 ? 9 DT A C7 3 +ATOM 1689 C C6 . DT A 1 22 B 0.325 2.432 -0.717 1.00 0.00 ? 9 DT A C6 3 +ATOM 1690 H "H5'" . DT A 1 22 B 2.830 6.583 0.610 1.00 0.00 ? 9 DT A "H5'" 3 +ATOM 1691 H "H5''" . DT A 1 22 B 3.514 7.294 -0.864 1.00 0.00 ? 9 DT A "H5''" 3 +ATOM 1692 H "H4'" . DT A 1 22 B 4.399 5.093 -0.575 1.00 0.00 ? 9 DT A "H4'" 3 +ATOM 1693 H "H3'" . DT A 1 22 B 2.841 5.716 -2.969 1.00 0.00 ? 9 DT A "H3'" 3 +ATOM 1694 H "H2'" . DT A 1 22 B 1.434 3.964 -2.720 1.00 0.00 ? 9 DT A "H2'" 3 +ATOM 1695 H "H2''" . DT A 1 22 B 2.784 3.013 -3.387 1.00 0.00 ? 9 DT A "H2''" 3 +ATOM 1696 H "H1'" . DT A 1 22 B 3.717 2.576 -1.185 1.00 0.00 ? 9 DT A "H1'" 3 +ATOM 1697 H H3 . DT A 1 22 B 1.320 -1.068 0.081 1.00 0.00 ? 9 DT A H3 3 +ATOM 1698 H H71 . DT A 1 22 B -2.446 2.324 -1.147 1.00 0.00 ? 9 DT A H71 3 +ATOM 1699 H H72 . DT A 1 22 B -2.724 1.341 0.296 1.00 0.00 ? 9 DT A H72 3 +ATOM 1700 H H73 . DT A 1 22 B -2.116 2.993 0.460 1.00 0.00 ? 9 DT A H73 3 +ATOM 1701 H H6 . DT A 1 22 B 0.048 3.437 -1.005 1.00 0.00 ? 9 DT A H6 3 +ATOM 1702 O "O5'" . DA A 1 5 ? 7.602 -10.156 1.030 1.00 0.00 ? 1 DA A "O5'" 4 +ATOM 1703 C "C5'" . DA A 1 5 ? 6.242 -9.839 1.278 1.00 0.00 ? 1 DA A "C5'" 4 +ATOM 1704 C "C4'" . DA A 1 5 ? 5.727 -8.768 0.302 1.00 0.00 ? 1 DA A "C4'" 4 +ATOM 1705 O "O4'" . DA A 1 5 ? 4.378 -8.400 0.563 1.00 0.00 ? 1 DA A "O4'" 4 +ATOM 1706 C "C3'" . DA A 1 5 ? 6.514 -7.465 0.448 1.00 0.00 ? 1 DA A "C3'" 4 +ATOM 1707 O "O3'" . DA A 1 5 ? 7.526 -7.366 -0.527 1.00 0.00 ? 1 DA A "O3'" 4 +ATOM 1708 C "C2'" . DA A 1 5 ? 5.482 -6.360 0.247 1.00 0.00 ? 1 DA A "C2'" 4 +ATOM 1709 C "C1'" . DA A 1 5 ? 4.175 -7.116 -0.005 1.00 0.00 ? 1 DA A "C1'" 4 +ATOM 1710 N N9 . DA A 1 5 ? 2.988 -6.443 0.563 1.00 0.00 ? 1 DA A N9 4 +ATOM 1711 C C8 . DA A 1 5 ? 1.919 -6.984 1.238 1.00 0.00 ? 1 DA A C8 4 +ATOM 1712 N N7 . DA A 1 5 ? 0.966 -6.132 1.506 1.00 0.00 ? 1 DA A N7 4 +ATOM 1713 C C5 . DA A 1 5 ? 1.450 -4.930 0.971 1.00 0.00 ? 1 DA A C5 4 +ATOM 1714 C C6 . DA A 1 5 ? 0.966 -3.604 0.864 1.00 0.00 ? 1 DA A C6 4 +ATOM 1715 N N6 . DA A 1 5 ? -0.206 -3.192 1.307 1.00 0.00 ? 1 DA A N6 4 +ATOM 1716 N N1 . DA A 1 5 ? 1.668 -2.659 0.226 1.00 0.00 ? 1 DA A N1 4 +ATOM 1717 C C2 . DA A 1 5 ? 2.845 -2.994 -0.287 1.00 0.00 ? 1 DA A C2 4 +ATOM 1718 N N3 . DA A 1 5 ? 3.422 -4.189 -0.267 1.00 0.00 ? 1 DA A N3 4 +ATOM 1719 C C4 . DA A 1 5 ? 2.676 -5.118 0.392 1.00 0.00 ? 1 DA A C4 4 +ATOM 1720 H "H5'" . DA A 1 5 ? 6.138 -9.491 2.307 1.00 0.00 ? 1 DA A "H5'" 4 +ATOM 1721 H "H5''" . DA A 1 5 ? 5.648 -10.745 1.158 1.00 0.00 ? 1 DA A "H5''" 4 +ATOM 1722 H "H4'" . DA A 1 5 ? 5.818 -9.152 -0.718 1.00 0.00 ? 1 DA A "H4'" 4 +ATOM 1723 H "H3'" . DA A 1 5 ? 6.881 -7.419 1.475 1.00 0.00 ? 1 DA A "H3'" 4 +ATOM 1724 H "H2'" . DA A 1 5 ? 5.442 -5.746 1.147 1.00 0.00 ? 1 DA A "H2'" 4 +ATOM 1725 H "H2''" . DA A 1 5 ? 5.726 -5.719 -0.602 1.00 0.00 ? 1 DA A "H2''" 4 +ATOM 1726 H "H1'" . DA A 1 5 ? 4.019 -7.220 -1.082 1.00 0.00 ? 1 DA A "H1'" 4 +ATOM 1727 H H8 . DA A 1 5 ? 1.846 -8.030 1.508 1.00 0.00 ? 1 DA A H8 4 +ATOM 1728 H H61 . DA A 1 5 ? -0.415 -2.208 1.197 1.00 0.00 ? 1 DA A H61 4 +ATOM 1729 H H62 . DA A 1 5 ? -0.772 -3.815 1.854 1.00 0.00 ? 1 DA A H62 4 +ATOM 1730 H H2 . DA A 1 5 ? 3.387 -2.214 -0.797 1.00 0.00 ? 1 DA A H2 4 +ATOM 1731 H "HO5'" . DA A 1 5 ? 8.164 -9.364 1.130 1.00 0.00 ? 1 DA A "HO5'" 4 +ATOM 1732 P P . DG A 1 6 ? 9.038 -7.135 -0.077 1.00 0.00 ? 2 DG A P 4 +ATOM 1733 O OP1 . DG A 1 6 ? 9.898 -7.223 -1.275 1.00 0.00 ? 2 DG A OP1 4 +ATOM 1734 O OP2 . DG A 1 6 ? 9.254 -8.049 1.070 1.00 0.00 ? 2 DG A OP2 4 +ATOM 1735 O "O5'" . DG A 1 6 ? 8.988 -5.604 0.430 1.00 0.00 ? 2 DG A "O5'" 4 +ATOM 1736 C "C5'" . DG A 1 6 ? 8.925 -5.243 1.803 1.00 0.00 ? 2 DG A "C5'" 4 +ATOM 1737 C "C4'" . DG A 1 6 ? 8.555 -3.752 1.937 1.00 0.00 ? 2 DG A "C4'" 4 +ATOM 1738 O "O4'" . DG A 1 6 ? 7.159 -3.538 1.711 1.00 0.00 ? 2 DG A "O4'" 4 +ATOM 1739 C "C3'" . DG A 1 6 ? 8.864 -3.171 3.336 1.00 0.00 ? 2 DG A "C3'" 4 +ATOM 1740 O "O3'" . DG A 1 6 ? 9.571 -1.954 3.195 1.00 0.00 ? 2 DG A "O3'" 4 +ATOM 1741 C "C2'" . DG A 1 6 ? 7.463 -2.927 3.889 1.00 0.00 ? 2 DG A "C2'" 4 +ATOM 1742 C "C1'" . DG A 1 6 ? 6.729 -2.537 2.614 1.00 0.00 ? 2 DG A "C1'" 4 +ATOM 1743 N N9 . DG A 1 6 ? 5.261 -2.557 2.792 1.00 0.00 ? 2 DG A N9 4 +ATOM 1744 C C8 . DG A 1 6 ? 4.447 -3.605 3.138 1.00 0.00 ? 2 DG A C8 4 +ATOM 1745 N N7 . DG A 1 6 ? 3.185 -3.301 3.243 1.00 0.00 ? 2 DG A N7 4 +ATOM 1746 C C5 . DG A 1 6 ? 3.161 -1.929 2.972 1.00 0.00 ? 2 DG A C5 4 +ATOM 1747 C C6 . DG A 1 6 ? 2.092 -0.972 2.963 1.00 0.00 ? 2 DG A C6 4 +ATOM 1748 O O6 . DG A 1 6 ? 0.901 -1.156 3.172 1.00 0.00 ? 2 DG A O6 4 +ATOM 1749 N N1 . DG A 1 6 ? 2.482 0.319 2.667 1.00 0.00 ? 2 DG A N1 4 +ATOM 1750 C C2 . DG A 1 6 ? 3.762 0.652 2.374 1.00 0.00 ? 2 DG A C2 4 +ATOM 1751 N N2 . DG A 1 6 ? 4.012 1.918 2.192 1.00 0.00 ? 2 DG A N2 4 +ATOM 1752 N N3 . DG A 1 6 ? 4.785 -0.197 2.378 1.00 0.00 ? 2 DG A N3 4 +ATOM 1753 C C4 . DG A 1 6 ? 4.425 -1.474 2.685 1.00 0.00 ? 2 DG A C4 4 +ATOM 1754 H "H5'" . DG A 1 6 ? 9.911 -5.415 2.239 1.00 0.00 ? 2 DG A "H5'" 4 +ATOM 1755 H "H5''" . DG A 1 6 ? 8.193 -5.833 2.356 1.00 0.00 ? 2 DG A "H5''" 4 +ATOM 1756 H "H4'" . DG A 1 6 ? 9.123 -3.196 1.187 1.00 0.00 ? 2 DG A "H4'" 4 +ATOM 1757 H "H3'" . DG A 1 6 ? 9.423 -3.876 3.956 1.00 0.00 ? 2 DG A "H3'" 4 +ATOM 1758 H "H2'" . DG A 1 6 ? 7.078 -3.859 4.303 1.00 0.00 ? 2 DG A "H2'" 4 +ATOM 1759 H "H2''" . DG A 1 6 ? 7.424 -2.148 4.647 1.00 0.00 ? 2 DG A "H2''" 4 +ATOM 1760 H "H1'" . DG A 1 6 ? 7.070 -1.559 2.264 1.00 0.00 ? 2 DG A "H1'" 4 +ATOM 1761 H H8 . DG A 1 6 ? 4.801 -4.605 3.323 1.00 0.00 ? 2 DG A H8 4 +ATOM 1762 H H1 . DG A 1 6 ? 1.746 1.017 2.686 1.00 0.00 ? 2 DG A H1 4 +ATOM 1763 H H21 . DG A 1 6 ? 3.272 2.603 2.251 1.00 0.00 ? 2 DG A H21 4 +ATOM 1764 H H22 . DG A 1 6 ? 4.986 2.150 2.108 1.00 0.00 ? 2 DG A H22 4 +ATOM 1765 P P . DG A 1 7 ? 10.091 -1.114 4.464 1.00 0.00 ? 3 DG A P 4 +ATOM 1766 O OP1 . DG A 1 7 ? 11.465 -0.658 4.167 1.00 0.00 ? 3 DG A OP1 4 +ATOM 1767 O OP2 . DG A 1 7 ? 9.823 -1.904 5.685 1.00 0.00 ? 3 DG A OP2 4 +ATOM 1768 O "O5'" . DG A 1 7 ? 9.116 0.171 4.457 1.00 0.00 ? 3 DG A "O5'" 4 +ATOM 1769 C "C5'" . DG A 1 7 ? 9.167 1.111 3.395 1.00 0.00 ? 3 DG A "C5'" 4 +ATOM 1770 C "C4'" . DG A 1 7 ? 8.302 2.361 3.642 1.00 0.00 ? 3 DG A "C4'" 4 +ATOM 1771 O "O4'" . DG A 1 7 ? 6.911 2.044 3.648 1.00 0.00 ? 3 DG A "O4'" 4 +ATOM 1772 C "C3'" . DG A 1 7 ? 8.622 3.068 4.972 1.00 0.00 ? 3 DG A "C3'" 4 +ATOM 1773 O "O3'" . DG A 1 7 ? 8.569 4.471 4.781 1.00 0.00 ? 3 DG A "O3'" 4 +ATOM 1774 C "C2'" . DG A 1 7 ? 7.473 2.599 5.856 1.00 0.00 ? 3 DG A "C2'" 4 +ATOM 1775 C "C1'" . DG A 1 7 ? 6.331 2.535 4.846 1.00 0.00 ? 3 DG A "C1'" 4 +ATOM 1776 N N9 . DG A 1 7 ? 5.246 1.626 5.270 1.00 0.00 ? 3 DG A N9 4 +ATOM 1777 C C8 . DG A 1 7 ? 5.285 0.269 5.468 1.00 0.00 ? 3 DG A C8 4 +ATOM 1778 N N7 . DG A 1 7 ? 4.129 -0.263 5.765 1.00 0.00 ? 3 DG A N7 4 +ATOM 1779 C C5 . DG A 1 7 ? 3.254 0.829 5.764 1.00 0.00 ? 3 DG A C5 4 +ATOM 1780 C C6 . DG A 1 7 ? 1.842 0.938 6.002 1.00 0.00 ? 3 DG A C6 4 +ATOM 1781 O O6 . DG A 1 7 ? 1.044 0.056 6.292 1.00 0.00 ? 3 DG A O6 4 +ATOM 1782 N N1 . DG A 1 7 ? 1.340 2.221 5.892 1.00 0.00 ? 3 DG A N1 4 +ATOM 1783 C C2 . DG A 1 7 ? 2.105 3.281 5.535 1.00 0.00 ? 3 DG A C2 4 +ATOM 1784 N N2 . DG A 1 7 ? 1.533 4.449 5.500 1.00 0.00 ? 3 DG A N2 4 +ATOM 1785 N N3 . DG A 1 7 ? 3.411 3.228 5.310 1.00 0.00 ? 3 DG A N3 4 +ATOM 1786 C C4 . DG A 1 7 ? 3.934 1.979 5.444 1.00 0.00 ? 3 DG A C4 4 +ATOM 1787 H "H5'" . DG A 1 7 ? 8.840 0.637 2.467 1.00 0.00 ? 3 DG A "H5'" 4 +ATOM 1788 H "H5''" . DG A 1 7 ? 10.196 1.455 3.259 1.00 0.00 ? 3 DG A "H5''" 4 +ATOM 1789 H "H4'" . DG A 1 7 ? 8.512 3.035 2.806 1.00 0.00 ? 3 DG A "H4'" 4 +ATOM 1790 H "H3'" . DG A 1 7 ? 9.596 2.759 5.361 1.00 0.00 ? 3 DG A "H3'" 4 +ATOM 1791 H "H2'" . DG A 1 7 ? 7.699 1.623 6.280 1.00 0.00 ? 3 DG A "H2'" 4 +ATOM 1792 H "H2''" . DG A 1 7 ? 7.279 3.293 6.666 1.00 0.00 ? 3 DG A "H2''" 4 +ATOM 1793 H "H1'" . DG A 1 7 ? 5.944 3.545 4.680 1.00 0.00 ? 3 DG A "H1'" 4 +ATOM 1794 H H8 . DG A 1 7 ? 6.182 -0.323 5.367 1.00 0.00 ? 3 DG A H8 4 +ATOM 1795 H H1 . DG A 1 7 ? 0.349 2.334 6.073 1.00 0.00 ? 3 DG A H1 4 +ATOM 1796 H H21 . DG A 1 7 ? 0.564 4.562 5.757 1.00 0.00 ? 3 DG A H21 4 +ATOM 1797 H H22 . DG A 1 7 ? 2.151 5.218 5.315 1.00 0.00 ? 3 DG A H22 4 +ATOM 1798 P P . DA A 1 8 ? 8.952 5.503 5.955 1.00 0.00 ? 4 DA A P 4 +ATOM 1799 O OP1 . DA A 1 8 ? 9.415 6.754 5.319 1.00 0.00 ? 4 DA A OP1 4 +ATOM 1800 O OP2 . DA A 1 8 ? 9.827 4.801 6.918 1.00 0.00 ? 4 DA A OP2 4 +ATOM 1801 O "O5'" . DA A 1 8 ? 7.538 5.796 6.676 1.00 0.00 ? 4 DA A "O5'" 4 +ATOM 1802 C "C5'" . DA A 1 8 ? 6.582 6.662 6.087 1.00 0.00 ? 4 DA A "C5'" 4 +ATOM 1803 C "C4'" . DA A 1 8 ? 5.331 6.850 6.963 1.00 0.00 ? 4 DA A "C4'" 4 +ATOM 1804 O "O4'" . DA A 1 8 ? 4.490 5.703 6.999 1.00 0.00 ? 4 DA A "O4'" 4 +ATOM 1805 C "C3'" . DA A 1 8 ? 5.616 7.254 8.425 1.00 0.00 ? 4 DA A "C3'" 4 +ATOM 1806 O "O3'" . DA A 1 8 ? 5.066 8.532 8.687 1.00 0.00 ? 4 DA A "O3'" 4 +ATOM 1807 C "C2'" . DA A 1 8 ? 4.937 6.133 9.200 1.00 0.00 ? 4 DA A "C2'" 4 +ATOM 1808 C "C1'" . DA A 1 8 ? 3.831 5.700 8.249 1.00 0.00 ? 4 DA A "C1'" 4 +ATOM 1809 N N9 . DA A 1 8 ? 3.397 4.324 8.547 1.00 0.00 ? 4 DA A N9 4 +ATOM 1810 C C8 . DA A 1 8 ? 4.173 3.195 8.590 1.00 0.00 ? 4 DA A C8 4 +ATOM 1811 N N7 . DA A 1 8 ? 3.514 2.097 8.837 1.00 0.00 ? 4 DA A N7 4 +ATOM 1812 C C5 . DA A 1 8 ? 2.197 2.547 8.971 1.00 0.00 ? 4 DA A C5 4 +ATOM 1813 C C6 . DA A 1 8 ? 0.957 1.928 9.241 1.00 0.00 ? 4 DA A C6 4 +ATOM 1814 N N6 . DA A 1 8 ? 0.820 0.635 9.444 1.00 0.00 ? 4 DA A N6 4 +ATOM 1815 N N1 . DA A 1 8 ? -0.170 2.641 9.343 1.00 0.00 ? 4 DA A N1 4 +ATOM 1816 C C2 . DA A 1 8 ? -0.095 3.953 9.141 1.00 0.00 ? 4 DA A C2 4 +ATOM 1817 N N3 . DA A 1 8 ? 0.993 4.667 8.869 1.00 0.00 ? 4 DA A N3 4 +ATOM 1818 C C4 . DA A 1 8 ? 2.117 3.902 8.800 1.00 0.00 ? 4 DA A C4 4 +ATOM 1819 H "H5'" . DA A 1 8 ? 6.275 6.277 5.112 1.00 0.00 ? 4 DA A "H5'" 4 +ATOM 1820 H "H5''" . DA A 1 8 ? 7.031 7.648 5.946 1.00 0.00 ? 4 DA A "H5''" 4 +ATOM 1821 H "H4'" . DA A 1 8 ? 4.738 7.638 6.492 1.00 0.00 ? 4 DA A "H4'" 4 +ATOM 1822 H "H3'" . DA A 1 8 ? 6.678 7.210 8.659 1.00 0.00 ? 4 DA A "H3'" 4 +ATOM 1823 H "H2'" . DA A 1 8 ? 5.670 5.342 9.360 1.00 0.00 ? 4 DA A "H2'" 4 +ATOM 1824 H "H2''" . DA A 1 8 ? 4.545 6.463 10.154 1.00 0.00 ? 4 DA A "H2''" 4 +ATOM 1825 H "H1'" . DA A 1 8 ? 3.006 6.416 8.253 1.00 0.00 ? 4 DA A "H1'" 4 +ATOM 1826 H H8 . DA A 1 8 ? 5.242 3.218 8.438 1.00 0.00 ? 4 DA A H8 4 +ATOM 1827 H H61 . DA A 1 8 ? -0.102 0.292 9.659 1.00 0.00 ? 4 DA A H61 4 +ATOM 1828 H H62 . DA A 1 8 ? 1.626 0.038 9.380 1.00 0.00 ? 4 DA A H62 4 +ATOM 1829 H H2 . DA A 1 8 ? -1.019 4.503 9.219 1.00 0.00 ? 4 DA A H2 4 +ATOM 1830 P P . DT A 1 9 ? 5.307 9.300 10.079 1.00 0.00 ? 5 DT A P 4 +ATOM 1831 O OP1 . DT A 1 9 ? 5.113 10.747 9.844 1.00 0.00 ? 5 DT A OP1 4 +ATOM 1832 O OP2 . DT A 1 9 ? 6.564 8.809 10.681 1.00 0.00 ? 5 DT A OP2 4 +ATOM 1833 O "O5'" . DT A 1 9 ? 4.079 8.773 10.969 1.00 0.00 ? 5 DT A "O5'" 4 +ATOM 1834 C "C5'" . DT A 1 9 ? 2.745 9.119 10.645 1.00 0.00 ? 5 DT A "C5'" 4 +ATOM 1835 C "C4'" . DT A 1 9 ? 1.763 8.294 11.483 1.00 0.00 ? 5 DT A "C4'" 4 +ATOM 1836 O "O4'" . DT A 1 9 ? 1.824 6.907 11.194 1.00 0.00 ? 5 DT A "O4'" 4 +ATOM 1837 C "C3'" . DT A 1 9 ? 1.883 8.474 13.008 1.00 0.00 ? 5 DT A "C3'" 4 +ATOM 1838 O "O3'" . DT A 1 9 ? 0.693 9.048 13.516 1.00 0.00 ? 5 DT A "O3'" 4 +ATOM 1839 C "C2'" . DT A 1 9 ? 2.033 7.019 13.436 1.00 0.00 ? 5 DT A "C2'" 4 +ATOM 1840 C "C1'" . DT A 1 9 ? 1.261 6.298 12.325 1.00 0.00 ? 5 DT A "C1'" 4 +ATOM 1841 N N1 . DT A 1 9 ? 1.517 4.838 12.289 1.00 0.00 ? 5 DT A N1 4 +ATOM 1842 C C2 . DT A 1 9 ? 0.419 3.987 12.386 1.00 0.00 ? 5 DT A C2 4 +ATOM 1843 O O2 . DT A 1 9 ? -0.744 4.360 12.434 1.00 0.00 ? 5 DT A O2 4 +ATOM 1844 N N3 . DT A 1 9 ? 0.684 2.648 12.461 1.00 0.00 ? 5 DT A N3 4 +ATOM 1845 C C4 . DT A 1 9 ? 1.925 2.069 12.427 1.00 0.00 ? 5 DT A C4 4 +ATOM 1846 O O4 . DT A 1 9 ? 1.998 0.856 12.569 1.00 0.00 ? 5 DT A O4 4 +ATOM 1847 C C5 . DT A 1 9 ? 3.040 2.999 12.235 1.00 0.00 ? 5 DT A C5 4 +ATOM 1848 C C7 . DT A 1 9 ? 4.479 2.494 12.116 1.00 0.00 ? 5 DT A C7 4 +ATOM 1849 C C6 . DT A 1 9 ? 2.799 4.336 12.178 1.00 0.00 ? 5 DT A C6 4 +ATOM 1850 H "H5'" . DT A 1 9 ? 2.538 8.919 9.591 1.00 0.00 ? 5 DT A "H5'" 4 +ATOM 1851 H "H5''" . DT A 1 9 ? 2.579 10.180 10.841 1.00 0.00 ? 5 DT A "H5''" 4 +ATOM 1852 H "H4'" . DT A 1 9 ? 0.741 8.552 11.225 1.00 0.00 ? 5 DT A "H4'" 4 +ATOM 1853 H "H3'" . DT A 1 9 ? 2.764 9.062 13.278 1.00 0.00 ? 5 DT A "H3'" 4 +ATOM 1854 H "H2'" . DT A 1 9 ? 3.096 6.788 13.430 1.00 0.00 ? 5 DT A "H2'" 4 +ATOM 1855 H "H2''" . DT A 1 9 ? 1.650 6.840 14.433 1.00 0.00 ? 5 DT A "H2''" 4 +ATOM 1856 H "H1'" . DT A 1 9 ? 0.195 6.567 12.334 1.00 0.00 ? 5 DT A "H1'" 4 +ATOM 1857 H H3 . DT A 1 9 ? -0.118 2.054 12.633 1.00 0.00 ? 5 DT A H3 4 +ATOM 1858 H H71 . DT A 1 9 ? 4.498 1.534 11.595 1.00 0.00 ? 5 DT A H71 4 +ATOM 1859 H H72 . DT A 1 9 ? 5.104 3.190 11.553 1.00 0.00 ? 5 DT A H72 4 +ATOM 1860 H H73 . DT A 1 9 ? 4.908 2.361 13.111 1.00 0.00 ? 5 DT A H73 4 +ATOM 1861 H H6 . DT A 1 9 ? 3.627 5.019 12.048 1.00 0.00 ? 5 DT A H6 4 +ATOM 1862 P P . DC A 1 10 ? 0.533 9.479 15.054 1.00 0.00 ? 6 DC A P 4 +ATOM 1863 O OP1 . DC A 1 10 ? 0.169 10.910 15.098 1.00 0.00 ? 6 DC A OP1 4 +ATOM 1864 O OP2 . DC A 1 10 ? 1.700 8.982 15.814 1.00 0.00 ? 6 DC A OP2 4 +ATOM 1865 O "O5'" . DC A 1 10 ? -0.751 8.613 15.488 1.00 0.00 ? 6 DC A "O5'" 4 +ATOM 1866 C "C5'" . DC A 1 10 ? -2.035 8.879 14.945 1.00 0.00 ? 6 DC A "C5'" 4 +ATOM 1867 C "C4'" . DC A 1 10 ? -3.092 7.887 15.467 1.00 0.00 ? 6 DC A "C4'" 4 +ATOM 1868 O "O4'" . DC A 1 10 ? -2.786 6.567 15.028 1.00 0.00 ? 6 DC A "O4'" 4 +ATOM 1869 C "C3'" . DC A 1 10 ? -3.180 7.865 17.003 1.00 0.00 ? 6 DC A "C3'" 4 +ATOM 1870 O "O3'" . DC A 1 10 ? -4.523 7.676 17.411 1.00 0.00 ? 6 DC A "O3'" 4 +ATOM 1871 C "C2'" . DC A 1 10 ? -2.342 6.638 17.331 1.00 0.00 ? 6 DC A "C2'" 4 +ATOM 1872 C "C1'" . DC A 1 10 ? -2.688 5.723 16.158 1.00 0.00 ? 6 DC A "C1'" 4 +ATOM 1873 N N1 . DC A 1 10 ? -1.613 4.723 15.948 1.00 0.00 ? 6 DC A N1 4 +ATOM 1874 C C2 . DC A 1 10 ? -1.843 3.406 16.328 1.00 0.00 ? 6 DC A C2 4 +ATOM 1875 O O2 . DC A 1 10 ? -2.940 3.041 16.724 1.00 0.00 ? 6 DC A O2 4 +ATOM 1876 N N3 . DC A 1 10 ? -0.847 2.486 16.273 1.00 0.00 ? 6 DC A N3 4 +ATOM 1877 C C4 . DC A 1 10 ? 0.340 2.870 15.837 1.00 0.00 ? 6 DC A C4 4 +ATOM 1878 N N4 . DC A 1 10 ? 1.255 1.943 15.829 1.00 0.00 ? 6 DC A N4 4 +ATOM 1879 C C5 . DC A 1 10 ? 0.639 4.202 15.423 1.00 0.00 ? 6 DC A C5 4 +ATOM 1880 C C6 . DC A 1 10 ? -0.377 5.095 15.484 1.00 0.00 ? 6 DC A C6 4 +ATOM 1881 H "H5'" . DC A 1 10 ? -2.006 8.807 13.856 1.00 0.00 ? 6 DC A "H5'" 4 +ATOM 1882 H "H5''" . DC A 1 10 ? -2.347 9.890 15.217 1.00 0.00 ? 6 DC A "H5''" 4 +ATOM 1883 H "H4'" . DC A 1 10 ? -4.056 8.181 15.048 1.00 0.00 ? 6 DC A "H4'" 4 +ATOM 1884 H "H3'" . DC A 1 10 ? -2.760 8.780 17.428 1.00 0.00 ? 6 DC A "H3'" 4 +ATOM 1885 H "H2'" . DC A 1 10 ? -1.289 6.920 17.325 1.00 0.00 ? 6 DC A "H2'" 4 +ATOM 1886 H "H2''" . DC A 1 10 ? -2.596 6.203 18.294 1.00 0.00 ? 6 DC A "H2''" 4 +ATOM 1887 H "H1'" . DC A 1 10 ? -3.676 5.287 16.321 1.00 0.00 ? 6 DC A "H1'" 4 +ATOM 1888 H H41 . DC A 1 10 ? 0.920 1.044 16.144 1.00 0.00 ? 6 DC A H41 4 +ATOM 1889 H H42 . DC A 1 10 ? 2.191 2.127 15.525 1.00 0.00 ? 6 DC A H42 4 +ATOM 1890 H H5 . DC A 1 10 ? 1.603 4.532 15.060 1.00 0.00 ? 6 DC A H5 4 +ATOM 1891 H H6 . DC A 1 10 ? -0.210 6.111 15.156 1.00 0.00 ? 6 DC A H6 4 +ATOM 1892 P P . DC A 1 11 ? -4.959 7.806 18.954 1.00 0.00 ? 7 DC A P 4 +ATOM 1893 O OP1 . DC A 1 11 ? -6.327 8.366 18.988 1.00 0.00 ? 7 DC A OP1 4 +ATOM 1894 O OP2 . DC A 1 11 ? -3.871 8.489 19.684 1.00 0.00 ? 7 DC A OP2 4 +ATOM 1895 O "O5'" . DC A 1 11 ? -5.023 6.281 19.479 1.00 0.00 ? 7 DC A "O5'" 4 +ATOM 1896 C "C5'" . DC A 1 11 ? -6.182 5.480 19.295 1.00 0.00 ? 7 DC A "C5'" 4 +ATOM 1897 C "C4'" . DC A 1 11 ? -6.090 4.150 20.066 1.00 0.00 ? 7 DC A "C4'" 4 +ATOM 1898 O "O4'" . DC A 1 11 ? -5.149 3.268 19.453 1.00 0.00 ? 7 DC A "O4'" 4 +ATOM 1899 C "C3'" . DC A 1 11 ? -5.674 4.345 21.543 1.00 0.00 ? 7 DC A "C3'" 4 +ATOM 1900 O "O3'" . DC A 1 11 ? -6.477 3.574 22.407 1.00 0.00 ? 7 DC A "O3'" 4 +ATOM 1901 C "C2'" . DC A 1 11 ? -4.254 3.800 21.503 1.00 0.00 ? 7 DC A "C2'" 4 +ATOM 1902 C "C1'" . DC A 1 11 ? -4.391 2.676 20.484 1.00 0.00 ? 7 DC A "C1'" 4 +ATOM 1903 N N1 . DC A 1 11 ? -3.055 2.272 20.002 1.00 0.00 ? 7 DC A N1 4 +ATOM 1904 C C2 . DC A 1 11 ? -2.583 0.987 20.276 1.00 0.00 ? 7 DC A C2 4 +ATOM 1905 O O2 . DC A 1 11 ? -3.329 0.100 20.671 1.00 0.00 ? 7 DC A O2 4 +ATOM 1906 N N3 . DC A 1 11 ? -1.264 0.691 20.120 1.00 0.00 ? 7 DC A N3 4 +ATOM 1907 C C4 . DC A 1 11 ? -0.440 1.668 19.770 1.00 0.00 ? 7 DC A C4 4 +ATOM 1908 N N4 . DC A 1 11 ? 0.818 1.366 19.637 1.00 0.00 ? 7 DC A N4 4 +ATOM 1909 C C5 . DC A 1 11 ? -0.863 3.006 19.563 1.00 0.00 ? 7 DC A C5 4 +ATOM 1910 C C6 . DC A 1 11 ? -2.179 3.253 19.634 1.00 0.00 ? 7 DC A C6 4 +ATOM 1911 H "H5'" . DC A 1 11 ? -6.336 5.279 18.233 1.00 0.00 ? 7 DC A "H5'" 4 +ATOM 1912 H "H5''" . DC A 1 11 ? -7.058 6.008 19.678 1.00 0.00 ? 7 DC A "H5''" 4 +ATOM 1913 H "H4'" . DC A 1 11 ? -7.071 3.673 20.027 1.00 0.00 ? 7 DC A "H4'" 4 +ATOM 1914 H "H3'" . DC A 1 11 ? -5.705 5.400 21.828 1.00 0.00 ? 7 DC A "H3'" 4 +ATOM 1915 H "H2'" . DC A 1 11 ? -3.648 4.625 21.170 1.00 0.00 ? 7 DC A "H2'" 4 +ATOM 1916 H "H2''" . DC A 1 11 ? -3.790 3.449 22.414 1.00 0.00 ? 7 DC A "H2''" 4 +ATOM 1917 H "H1'" . DC A 1 11 ? -4.961 1.870 20.940 1.00 0.00 ? 7 DC A "H1'" 4 +ATOM 1918 H H41 . DC A 1 11 ? 1.052 0.409 19.840 1.00 0.00 ? 7 DC A H41 4 +ATOM 1919 H H42 . DC A 1 11 ? 1.484 2.058 19.358 1.00 0.00 ? 7 DC A H42 4 +ATOM 1920 H H5 . DC A 1 11 ? -0.225 3.856 19.493 1.00 0.00 ? 7 DC A H5 4 +ATOM 1921 H H6 . DC A 1 11 ? -2.522 4.262 19.460 1.00 0.00 ? 7 DC A H6 4 +ATOM 1922 P P . DT A 1 12 ? -6.363 3.735 23.999 1.00 0.00 ? 8 DT A P 4 +ATOM 1923 O OP1 . DT A 1 12 ? -7.705 4.051 24.532 1.00 0.00 ? 8 DT A OP1 4 +ATOM 1924 O OP2 . DT A 1 12 ? -5.209 4.603 24.318 1.00 0.00 ? 8 DT A OP2 4 +ATOM 1925 O "O5'" . DT A 1 12 ? -5.973 2.250 24.447 1.00 0.00 ? 8 DT A "O5'" 4 +ATOM 1926 C "C5'" . DT A 1 12 ? -6.883 1.174 24.336 1.00 0.00 ? 8 DT A "C5'" 4 +ATOM 1927 C "C4'" . DT A 1 12 ? -6.318 -0.093 24.999 1.00 0.00 ? 8 DT A "C4'" 4 +ATOM 1928 O "O4'" . DT A 1 12 ? -5.162 -0.575 24.319 1.00 0.00 ? 8 DT A "O4'" 4 +ATOM 1929 C "C3'" . DT A 1 12 ? -5.897 0.134 26.463 1.00 0.00 ? 8 DT A "C3'" 4 +ATOM 1930 O "O3'" . DT A 1 12 ? -6.052 -1.125 27.106 1.00 0.00 ? 8 DT A "O3'" 4 +ATOM 1931 C "C2'" . DT A 1 12 ? -4.445 0.532 26.294 1.00 0.00 ? 8 DT A "C2'" 4 +ATOM 1932 C "C1'" . DT A 1 12 ? -4.056 -0.415 25.186 1.00 0.00 ? 8 DT A "C1'" 4 +ATOM 1933 N N1 . DT A 1 12 ? -2.861 -0.029 24.415 1.00 0.00 ? 8 DT A N1 4 +ATOM 1934 C C2 . DT A 1 12 ? -2.086 -1.075 23.931 1.00 0.00 ? 8 DT A C2 4 +ATOM 1935 O O2 . DT A 1 12 ? -2.343 -2.259 24.099 1.00 0.00 ? 8 DT A O2 4 +ATOM 1936 N N3 . DT A 1 12 ? -0.930 -0.732 23.289 1.00 0.00 ? 8 DT A N3 4 +ATOM 1937 C C4 . DT A 1 12 ? -0.477 0.545 23.090 1.00 0.00 ? 8 DT A C4 4 +ATOM 1938 O O4 . DT A 1 12 ? 0.662 0.689 22.666 1.00 0.00 ? 8 DT A O4 4 +ATOM 1939 C C5 . DT A 1 12 ? -1.436 1.603 23.426 1.00 0.00 ? 8 DT A C5 4 +ATOM 1940 C C7 . DT A 1 12 ? -1.099 3.074 23.180 1.00 0.00 ? 8 DT A C7 4 +ATOM 1941 C C6 . DT A 1 12 ? -2.599 1.281 24.062 1.00 0.00 ? 8 DT A C6 4 +ATOM 1942 H "H5'" . DT A 1 12 ? -7.092 0.967 23.285 1.00 0.00 ? 8 DT A "H5'" 4 +ATOM 1943 H "H5''" . DT A 1 12 ? -7.821 1.423 24.837 1.00 0.00 ? 8 DT A "H5''" 4 +ATOM 1944 H "H4'" . DT A 1 12 ? -7.098 -0.854 24.943 1.00 0.00 ? 8 DT A "H4'" 4 +ATOM 1945 H "H3'" . DT A 1 12 ? -6.404 0.966 26.942 1.00 0.00 ? 8 DT A "H3'" 4 +ATOM 1946 H "H2'" . DT A 1 12 ? -4.331 1.574 26.040 1.00 0.00 ? 8 DT A "H2'" 4 +ATOM 1947 H "H2''" . DT A 1 12 ? -3.868 0.351 27.175 1.00 0.00 ? 8 DT A "H2''" 4 +ATOM 1948 H "H1'" . DT A 1 12 ? -3.880 -1.317 25.774 1.00 0.00 ? 8 DT A "H1'" 4 +ATOM 1949 H H3 . DT A 1 12 ? -0.323 -1.497 23.043 1.00 0.00 ? 8 DT A H3 4 +ATOM 1950 H H71 . DT A 1 12 ? -1.442 3.694 24.011 1.00 0.00 ? 8 DT A H71 4 +ATOM 1951 H H72 . DT A 1 12 ? -0.021 3.198 23.086 1.00 0.00 ? 8 DT A H72 4 +ATOM 1952 H H73 . DT A 1 12 ? -1.558 3.432 22.264 1.00 0.00 ? 8 DT A H73 4 +ATOM 1953 H H6 . DT A 1 12 ? -3.332 2.053 24.293 1.00 0.00 ? 8 DT A H6 4 +ATOM 1954 P P . DT A 1 13 ? -5.813 -1.367 28.672 1.00 0.00 ? 9 DT A P 4 +ATOM 1955 O OP1 . DT A 1 13 ? -6.258 -2.741 28.986 1.00 0.00 ? 9 DT A OP1 4 +ATOM 1956 O OP2 . DT A 1 13 ? -6.414 -0.226 29.390 1.00 0.00 ? 9 DT A OP2 4 +ATOM 1957 O "O5'" . DT A 1 13 ? -4.204 -1.321 28.824 1.00 0.00 ? 9 DT A "O5'" 4 +ATOM 1958 C "C5'" . DT A 1 13 ? -3.393 -2.392 28.353 1.00 0.00 ? 9 DT A "C5'" 4 +ATOM 1959 C "C4'" . DT A 1 13 ? -1.899 -2.019 28.256 1.00 0.00 ? 9 DT A "C4'" 4 +ATOM 1960 O "O4'" . DT A 1 13 ? -1.650 -0.873 27.427 1.00 0.00 ? 9 DT A "O4'" 4 +ATOM 1961 C "C3'" . DT A 1 13 ? -1.290 -1.771 29.640 1.00 0.00 ? 9 DT A "C3'" 4 +ATOM 1962 O "O3'" . DT A 1 13 ? -0.642 -2.910 30.155 1.00 0.00 ? 9 DT A "O3'" 4 +ATOM 1963 C "C2'" . DT A 1 13 ? -0.246 -0.711 29.304 1.00 0.00 ? 9 DT A "C2'" 4 +ATOM 1964 C "C1'" . DT A 1 13 ? -0.773 0.034 28.082 1.00 0.00 ? 9 DT A "C1'" 4 +ATOM 1965 N N1 . DT A 1 13 ? -1.505 1.290 28.348 1.00 0.00 ? 9 DT A N1 4 +ATOM 1966 C C2 . DT A 1 13 ? -1.578 2.218 27.309 1.00 0.00 ? 9 DT A C2 4 +ATOM 1967 O O2 . DT A 1 13 ? -0.832 2.215 26.341 1.00 0.00 ? 9 DT A O2 4 +ATOM 1968 N N3 . DT A 1 13 ? -2.530 3.199 27.406 1.00 0.00 ? 9 DT A N3 4 +ATOM 1969 C C4 . DT A 1 13 ? -3.419 3.343 28.442 1.00 0.00 ? 9 DT A C4 4 +ATOM 1970 O O4 . DT A 1 13 ? -4.196 4.287 28.407 1.00 0.00 ? 9 DT A O4 4 +ATOM 1971 C C5 . DT A 1 13 ? -3.299 2.341 29.502 1.00 0.00 ? 9 DT A C5 4 +ATOM 1972 C C7 . DT A 1 13 ? -4.367 2.174 30.568 1.00 0.00 ? 9 DT A C7 4 +ATOM 1973 C C6 . DT A 1 13 ? -2.359 1.367 29.415 1.00 0.00 ? 9 DT A C6 4 +ATOM 1974 H "H5'" . DT A 1 13 ? -3.721 -2.734 27.372 1.00 0.00 ? 9 DT A "H5'" 4 +ATOM 1975 H "H5''" . DT A 1 13 ? -3.495 -3.236 29.038 1.00 0.00 ? 9 DT A "H5''" 4 +ATOM 1976 H "H4'" . DT A 1 13 ? -1.376 -2.858 27.797 1.00 0.00 ? 9 DT A "H4'" 4 +ATOM 1977 H "H3'" . DT A 1 13 ? -2.056 -1.429 30.336 1.00 0.00 ? 9 DT A "H3'" 4 +ATOM 1978 H "H2'" . DT A 1 13 ? 0.032 -0.092 30.145 1.00 0.00 ? 9 DT A "H2'" 4 +ATOM 1979 H "H2''" . DT A 1 13 ? 0.653 -1.225 28.993 1.00 0.00 ? 9 DT A "H2''" 4 +ATOM 1980 H "H1'" . DT A 1 13 ? 0.086 0.305 27.470 1.00 0.00 ? 9 DT A "H1'" 4 +ATOM 1981 H H3 . DT A 1 13 ? -2.630 3.835 26.639 1.00 0.00 ? 9 DT A H3 4 +ATOM 1982 H H71 . DT A 1 13 ? -5.096 2.986 30.552 1.00 0.00 ? 9 DT A H71 4 +ATOM 1983 H H72 . DT A 1 13 ? -4.873 1.240 30.304 1.00 0.00 ? 9 DT A H72 4 +ATOM 1984 H H73 . DT A 1 13 ? -3.932 2.089 31.565 1.00 0.00 ? 9 DT A H73 4 +ATOM 1985 H H6 . DT A 1 13 ? -2.288 0.602 30.169 1.00 0.00 ? 9 DT A H6 4 +ATOM 1986 P P . DT A 1 14 B -0.069 -2.914 31.654 1.00 0.00 ? 1 DT A P 4 +ATOM 1987 O OP1 . DT A 1 14 B -1.212 -2.844 32.588 1.00 0.00 ? 1 DT A OP1 4 +ATOM 1988 O OP2 . DT A 1 14 B 1.018 -1.914 31.745 1.00 0.00 ? 1 DT A OP2 4 +ATOM 1989 O "O5'" . DT A 1 14 B 0.587 -4.374 31.746 1.00 0.00 ? 1 DT A "O5'" 4 +ATOM 1990 C "C5'" . DT A 1 14 B 1.770 -4.692 31.035 1.00 0.00 ? 1 DT A "C5'" 4 +ATOM 1991 C "C4'" . DT A 1 14 B 1.582 -5.985 30.226 1.00 0.00 ? 1 DT A "C4'" 4 +ATOM 1992 O "O4'" . DT A 1 14 B 0.688 -5.772 29.129 1.00 0.00 ? 1 DT A "O4'" 4 +ATOM 1993 C "C3'" . DT A 1 14 B 2.928 -6.438 29.634 1.00 0.00 ? 1 DT A "C3'" 4 +ATOM 1994 O "O3'" . DT A 1 14 B 3.000 -7.853 29.708 1.00 0.00 ? 1 DT A "O3'" 4 +ATOM 1995 C "C2'" . DT A 1 14 B 2.818 -5.868 28.228 1.00 0.00 ? 1 DT A "C2'" 4 +ATOM 1996 C "C1'" . DT A 1 14 B 1.350 -6.093 27.921 1.00 0.00 ? 1 DT A "C1'" 4 +ATOM 1997 N N1 . DT A 1 14 B 0.892 -5.207 26.821 1.00 0.00 ? 1 DT A N1 4 +ATOM 1998 C C2 . DT A 1 14 B 0.294 -5.811 25.715 1.00 0.00 ? 1 DT A C2 4 +ATOM 1999 O O2 . DT A 1 14 B -0.117 -6.961 25.687 1.00 0.00 ? 1 DT A O2 4 +ATOM 2000 N N3 . DT A 1 14 B 0.142 -5.032 24.599 1.00 0.00 ? 1 DT A N3 4 +ATOM 2001 C C4 . DT A 1 14 B 0.440 -3.697 24.512 1.00 0.00 ? 1 DT A C4 4 +ATOM 2002 O O4 . DT A 1 14 B 0.341 -3.157 23.417 1.00 0.00 ? 1 DT A O4 4 +ATOM 2003 C C5 . DT A 1 14 B 0.871 -3.066 25.763 1.00 0.00 ? 1 DT A C5 4 +ATOM 2004 C C7 . DT A 1 14 B 1.090 -1.552 25.818 1.00 0.00 ? 1 DT A C7 4 +ATOM 2005 C C6 . DT A 1 14 B 1.085 -3.838 26.871 1.00 0.00 ? 1 DT A C6 4 +ATOM 2006 H "H5'" . DT A 1 14 B 2.556 -4.841 31.777 1.00 0.00 ? 1 DT A "H5'" 4 +ATOM 2007 H "H5''" . DT A 1 14 B 2.093 -3.899 30.355 1.00 0.00 ? 1 DT A "H5''" 4 +ATOM 2008 H "H4'" . DT A 1 14 B 1.179 -6.753 30.890 1.00 0.00 ? 1 DT A "H4'" 4 +ATOM 2009 H "H3'" . DT A 1 14 B 3.776 -5.973 30.133 1.00 0.00 ? 1 DT A "H3'" 4 +ATOM 2010 H "H2'" . DT A 1 14 B 3.092 -4.816 28.261 1.00 0.00 ? 1 DT A "H2'" 4 +ATOM 2011 H "H2''" . DT A 1 14 B 3.439 -6.381 27.508 1.00 0.00 ? 1 DT A "H2''" 4 +ATOM 2012 H "H1'" . DT A 1 14 B 1.253 -7.155 27.686 1.00 0.00 ? 1 DT A "H1'" 4 +ATOM 2013 H H3 . DT A 1 14 B -0.270 -5.458 23.792 1.00 0.00 ? 1 DT A H3 4 +ATOM 2014 H H71 . DT A 1 14 B 1.646 -1.261 26.711 1.00 0.00 ? 1 DT A H71 4 +ATOM 2015 H H72 . DT A 1 14 B 0.125 -1.026 25.796 1.00 0.00 ? 1 DT A H72 4 +ATOM 2016 H H73 . DT A 1 14 B 1.666 -1.231 24.948 1.00 0.00 ? 1 DT A H73 4 +ATOM 2017 H H6 . DT A 1 14 B 1.414 -3.403 27.818 1.00 0.00 ? 1 DT A H6 4 +ATOM 2018 P P . DU A 1 15 B 4.059 -8.710 28.866 1.00 0.00 ? 2 DU A P 4 +ATOM 2019 O OP1 . DU A 1 15 B 4.162 -10.069 29.435 1.00 0.00 ? 2 DU A OP1 4 +ATOM 2020 O OP2 . DU A 1 15 B 5.274 -7.897 28.642 1.00 0.00 ? 2 DU A OP2 4 +ATOM 2021 O "O5'" . DU A 1 15 B 3.261 -8.809 27.482 1.00 0.00 ? 2 DU A "O5'" 4 +ATOM 2022 C "C5'" . DU A 1 15 B 3.828 -9.391 26.333 1.00 0.00 ? 2 DU A "C5'" 4 +ATOM 2023 C "C4'" . DU A 1 15 B 2.982 -9.019 25.091 1.00 0.00 ? 2 DU A "C4'" 4 +ATOM 2024 O "O4'" . DU A 1 15 B 2.598 -7.645 24.988 1.00 0.00 ? 2 DU A "O4'" 4 +ATOM 2025 C "C3'" . DU A 1 15 B 3.587 -9.438 23.745 1.00 0.00 ? 2 DU A "C3'" 4 +ATOM 2026 O "O3'" . DU A 1 15 B 2.712 -10.394 23.120 1.00 0.00 ? 2 DU A "O3'" 4 +ATOM 2027 C "C2'" . DU A 1 15 B 3.714 -8.125 22.950 1.00 0.00 ? 2 DU A "C2'" 4 +ATOM 2028 C "C1'" . DU A 1 15 B 3.024 -7.038 23.769 1.00 0.00 ? 2 DU A "C1'" 4 +ATOM 2029 N N1 . DU A 1 15 B 3.904 -5.951 24.150 1.00 0.00 ? 2 DU A N1 4 +ATOM 2030 C C2 . DU A 1 15 B 3.735 -4.643 23.886 1.00 0.00 ? 2 DU A C2 4 +ATOM 2031 O O2 . DU A 1 15 B 3.028 -4.230 22.980 1.00 0.00 ? 2 DU A O2 4 +ATOM 2032 N N3 . DU A 1 15 B 4.294 -3.704 24.726 1.00 0.00 ? 2 DU A N3 4 +ATOM 2033 C C4 . DU A 1 15 B 4.950 -4.003 25.902 1.00 0.00 ? 2 DU A C4 4 +ATOM 2034 O O4 . DU A 1 15 B 5.231 -3.092 26.668 1.00 0.00 ? 2 DU A O4 4 +ATOM 2035 C C5 . DU A 1 15 B 5.260 -5.411 26.076 1.00 0.00 ? 2 DU A C5 4 +ATOM 2036 C C6 . DU A 1 15 B 4.865 -6.321 25.176 1.00 0.00 ? 2 DU A C6 4 +ATOM 2037 H "H5'" . DU A 1 15 B 3.801 -10.476 26.449 1.00 0.00 ? 2 DU A "H5'" 4 +ATOM 2038 H "H5''" . DU A 1 15 B 4.871 -9.111 26.207 1.00 0.00 ? 2 DU A "H5''" 4 +ATOM 2039 H "H4'" . DU A 1 15 B 2.035 -9.487 25.288 1.00 0.00 ? 2 DU A "H4'" 4 +ATOM 2040 H "H3'" . DU A 1 15 B 4.583 -9.874 23.928 1.00 0.00 ? 2 DU A "H3'" 4 +ATOM 2041 H "H2'" . DU A 1 15 B 4.775 -7.887 22.793 1.00 0.00 ? 2 DU A "H2'" 4 +ATOM 2042 H "H2''" . DU A 1 15 B 3.226 -8.196 21.975 1.00 0.00 ? 2 DU A "H2''" 4 +ATOM 2043 H "H1'" . DU A 1 15 B 2.128 -6.674 23.247 1.00 0.00 ? 2 DU A "H1'" 4 +ATOM 2044 H H3 . DU A 1 15 B 4.064 -2.745 24.553 1.00 0.00 ? 2 DU A H3 4 +ATOM 2045 H H5 . DU A 1 15 B 5.714 -5.860 26.936 1.00 0.00 ? 2 DU A H5 4 +ATOM 2046 H H6 . DU A 1 15 B 5.190 -7.336 25.275 1.00 0.00 ? 2 DU A H6 4 +ATOM 2047 P P . DG A 1 16 B 3.344 -11.075 21.786 1.00 0.00 ? 3 DG A P 4 +ATOM 2048 O OP1 . DG A 1 16 B 2.547 -12.278 21.469 1.00 0.00 ? 3 DG A OP1 4 +ATOM 2049 O OP2 . DG A 1 16 B 4.805 -11.208 21.989 1.00 0.00 ? 3 DG A OP2 4 +ATOM 2050 O "O5'" . DG A 1 16 B 3.114 -10.007 20.597 1.00 0.00 ? 3 DG A "O5'" 4 +ATOM 2051 C "C5'" . DG A 1 16 B 1.898 -9.908 19.868 1.00 0.00 ? 3 DG A "C5'" 4 +ATOM 2052 C "C4'" . DG A 1 16 B 0.692 -9.367 20.670 1.00 0.00 ? 3 DG A "C4'" 4 +ATOM 2053 O "O4'" . DG A 1 16 B 0.976 -8.066 21.180 1.00 0.00 ? 3 DG A "O4'" 4 +ATOM 2054 C "C3'" . DG A 1 16 B -0.529 -9.223 19.740 1.00 0.00 ? 3 DG A "C3'" 4 +ATOM 2055 O "O3'" . DG A 1 16 B -1.732 -9.433 20.454 1.00 0.00 ? 3 DG A "O3'" 4 +ATOM 2056 C "C2'" . DG A 1 16 B -0.413 -7.763 19.328 1.00 0.00 ? 3 DG A "C2'" 4 +ATOM 2057 C "C1'" . DG A 1 16 B 0.058 -7.135 20.634 1.00 0.00 ? 3 DG A "C1'" 4 +ATOM 2058 N N9 . DG A 1 16 B 0.735 -5.848 20.391 1.00 0.00 ? 3 DG A N9 4 +ATOM 2059 C C8 . DG A 1 16 B 2.007 -5.630 19.929 1.00 0.00 ? 3 DG A C8 4 +ATOM 2060 N N7 . DG A 1 16 B 2.316 -4.373 19.775 1.00 0.00 ? 3 DG A N7 4 +ATOM 2061 C C5 . DG A 1 16 B 1.145 -3.703 20.150 1.00 0.00 ? 3 DG A C5 4 +ATOM 2062 C C6 . DG A 1 16 B 0.796 -2.311 20.163 1.00 0.00 ? 3 DG A C6 4 +ATOM 2063 O O6 . DG A 1 16 B 1.505 -1.345 19.915 1.00 0.00 ? 3 DG A O6 4 +ATOM 2064 N N1 . DG A 1 16 B -0.522 -2.052 20.490 1.00 0.00 ? 3 DG A N1 4 +ATOM 2065 C C2 . DG A 1 16 B -1.401 -3.027 20.825 1.00 0.00 ? 3 DG A C2 4 +ATOM 2066 N N2 . DG A 1 16 B -2.645 -2.660 20.957 1.00 0.00 ? 3 DG A N2 4 +ATOM 2067 N N3 . DG A 1 16 B -1.121 -4.329 20.840 1.00 0.00 ? 3 DG A N3 4 +ATOM 2068 C C4 . DG A 1 16 B 0.169 -4.604 20.502 1.00 0.00 ? 3 DG A C4 4 +ATOM 2069 H "H5'" . DG A 1 16 B 1.647 -10.881 19.441 1.00 0.00 ? 3 DG A "H5'" 4 +ATOM 2070 H "H5''" . DG A 1 16 B 2.092 -9.228 19.038 1.00 0.00 ? 3 DG A "H5''" 4 +ATOM 2071 H "H4'" . DG A 1 16 B 0.462 -10.056 21.485 1.00 0.00 ? 3 DG A "H4'" 4 +ATOM 2072 H "H3'" . DG A 1 16 B -0.443 -9.896 18.884 1.00 0.00 ? 3 DG A "H3'" 4 +ATOM 2073 H "H2'" . DG A 1 16 B 0.340 -7.660 18.547 1.00 0.00 ? 3 DG A "H2'" 4 +ATOM 2074 H "H2''" . DG A 1 16 B -1.355 -7.336 18.992 1.00 0.00 ? 3 DG A "H2''" 4 +ATOM 2075 H "H1'" . DG A 1 16 B -0.781 -7.022 21.325 1.00 0.00 ? 3 DG A "H1'" 4 +ATOM 2076 H H8 . DG A 1 16 B 2.693 -6.428 19.691 1.00 0.00 ? 3 DG A H8 4 +ATOM 2077 H H1 . DG A 1 16 B -0.828 -1.086 20.446 1.00 0.00 ? 3 DG A H1 4 +ATOM 2078 H H21 . DG A 1 16 B -2.917 -1.693 20.860 1.00 0.00 ? 3 DG A H21 4 +ATOM 2079 H H22 . DG A 1 16 B -3.298 -3.415 21.074 1.00 0.00 ? 3 DG A H22 4 +ATOM 2080 P P . DG A 1 17 B -3.129 -9.679 19.690 1.00 0.00 ? 4 DG A P 4 +ATOM 2081 O OP1 . DG A 1 17 B -4.070 -10.282 20.656 1.00 0.00 ? 4 DG A OP1 4 +ATOM 2082 O OP2 . DG A 1 17 B -2.829 -10.385 18.426 1.00 0.00 ? 4 DG A OP2 4 +ATOM 2083 O "O5'" . DG A 1 17 B -3.666 -8.202 19.318 1.00 0.00 ? 4 DG A "O5'" 4 +ATOM 2084 C "C5'" . DG A 1 17 B -4.444 -7.441 20.230 1.00 0.00 ? 4 DG A "C5'" 4 +ATOM 2085 C "C4'" . DG A 1 17 B -4.973 -6.131 19.610 1.00 0.00 ? 4 DG A "C4'" 4 +ATOM 2086 O "O4'" . DG A 1 17 B -3.954 -5.130 19.534 1.00 0.00 ? 4 DG A "O4'" 4 +ATOM 2087 C "C3'" . DG A 1 17 B -5.534 -6.312 18.182 1.00 0.00 ? 4 DG A "C3'" 4 +ATOM 2088 O "O3'" . DG A 1 17 B -6.715 -5.536 18.042 1.00 0.00 ? 4 DG A "O3'" 4 +ATOM 2089 C "C2'" . DG A 1 17 B -4.393 -5.714 17.367 1.00 0.00 ? 4 DG A "C2'" 4 +ATOM 2090 C "C1'" . DG A 1 17 B -4.045 -4.528 18.256 1.00 0.00 ? 4 DG A "C1'" 4 +ATOM 2091 N N9 . DG A 1 17 B -2.785 -3.865 17.869 1.00 0.00 ? 4 DG A N9 4 +ATOM 2092 C C8 . DG A 1 17 B -1.552 -4.410 17.634 1.00 0.00 ? 4 DG A C8 4 +ATOM 2093 N N7 . DG A 1 17 B -0.629 -3.539 17.323 1.00 0.00 ? 4 DG A N7 4 +ATOM 2094 C C5 . DG A 1 17 B -1.316 -2.318 17.322 1.00 0.00 ? 4 DG A C5 4 +ATOM 2095 C C6 . DG A 1 17 B -0.907 -0.970 17.028 1.00 0.00 ? 4 DG A C6 4 +ATOM 2096 O O6 . DG A 1 17 B 0.205 -0.550 16.735 1.00 0.00 ? 4 DG A O6 4 +ATOM 2097 N N1 . DG A 1 17 B -1.932 -0.042 17.064 1.00 0.00 ? 4 DG A N1 4 +ATOM 2098 C C2 . DG A 1 17 B -3.207 -0.366 17.391 1.00 0.00 ? 4 DG A C2 4 +ATOM 2099 N N2 . DG A 1 17 B -4.105 0.573 17.320 1.00 0.00 ? 4 DG A N2 4 +ATOM 2100 N N3 . DG A 1 17 B -3.625 -1.590 17.679 1.00 0.00 ? 4 DG A N3 4 +ATOM 2101 C C4 . DG A 1 17 B -2.639 -2.524 17.628 1.00 0.00 ? 4 DG A C4 4 +ATOM 2102 H "H5'" . DG A 1 17 B -3.863 -7.212 21.125 1.00 0.00 ? 4 DG A "H5'" 4 +ATOM 2103 H "H5''" . DG A 1 17 B -5.318 -8.027 20.525 1.00 0.00 ? 4 DG A "H5''" 4 +ATOM 2104 H "H4'" . DG A 1 17 B -5.761 -5.769 20.275 1.00 0.00 ? 4 DG A "H4'" 4 +ATOM 2105 H "H3'" . DG A 1 17 B -5.720 -7.360 17.936 1.00 0.00 ? 4 DG A "H3'" 4 +ATOM 2106 H "H2'" . DG A 1 17 B -3.569 -6.426 17.329 1.00 0.00 ? 4 DG A "H2'" 4 +ATOM 2107 H "H2''" . DG A 1 17 B -4.675 -5.442 16.358 1.00 0.00 ? 4 DG A "H2''" 4 +ATOM 2108 H "H1'" . DG A 1 17 B -4.863 -3.805 18.239 1.00 0.00 ? 4 DG A "H1'" 4 +ATOM 2109 H H8 . DG A 1 17 B -1.361 -5.468 17.703 1.00 0.00 ? 4 DG A H8 4 +ATOM 2110 H H1 . DG A 1 17 B -1.678 0.913 16.831 1.00 0.00 ? 4 DG A H1 4 +ATOM 2111 H H21 . DG A 1 17 B -3.859 1.514 17.057 1.00 0.00 ? 4 DG A H21 4 +ATOM 2112 H H22 . DG A 1 17 B -5.051 0.263 17.461 1.00 0.00 ? 4 DG A H22 4 +ATOM 2113 P P . DA A 1 18 B -7.561 -5.482 16.672 1.00 0.00 ? 5 DA A P 4 +ATOM 2114 O OP1 . DA A 1 18 B -8.989 -5.635 17.022 1.00 0.00 ? 5 DA A OP1 4 +ATOM 2115 O OP2 . DA A 1 18 B -6.943 -6.409 15.700 1.00 0.00 ? 5 DA A OP2 4 +ATOM 2116 O "O5'" . DA A 1 18 B -7.334 -3.972 16.138 1.00 0.00 ? 5 DA A "O5'" 4 +ATOM 2117 C "C5'" . DA A 1 18 B -7.944 -2.862 16.786 1.00 0.00 ? 5 DA A "C5'" 4 +ATOM 2118 C "C4'" . DA A 1 18 B -7.815 -1.549 15.986 1.00 0.00 ? 5 DA A "C4'" 4 +ATOM 2119 O "O4'" . DA A 1 18 B -6.468 -1.086 15.951 1.00 0.00 ? 5 DA A "O4'" 4 +ATOM 2120 C "C3'" . DA A 1 18 B -8.306 -1.674 14.531 1.00 0.00 ? 5 DA A "C3'" 4 +ATOM 2121 O "O3'" . DA A 1 18 B -9.070 -0.537 14.168 1.00 0.00 ? 5 DA A "O3'" 4 +ATOM 2122 C "C2'" . DA A 1 18 B -6.992 -1.717 13.776 1.00 0.00 ? 5 DA A "C2'" 4 +ATOM 2123 C "C1'" . DA A 1 18 B -6.132 -0.772 14.613 1.00 0.00 ? 5 DA A "C1'" 4 +ATOM 2124 N N9 . DA A 1 18 B -4.704 -1.065 14.417 1.00 0.00 ? 5 DA A N9 4 +ATOM 2125 C C8 . DA A 1 18 B -4.083 -2.277 14.554 1.00 0.00 ? 5 DA A C8 4 +ATOM 2126 N N7 . DA A 1 18 B -2.799 -2.256 14.329 1.00 0.00 ? 5 DA A N7 4 +ATOM 2127 C C5 . DA A 1 18 B -2.560 -0.914 14.017 1.00 0.00 ? 5 DA A C5 4 +ATOM 2128 C C6 . DA A 1 18 B -1.421 -0.163 13.656 1.00 0.00 ? 5 DA A C6 4 +ATOM 2129 N N6 . DA A 1 18 B -0.211 -0.673 13.550 1.00 0.00 ? 5 DA A N6 4 +ATOM 2130 N N1 . DA A 1 18 B -1.510 1.143 13.376 1.00 0.00 ? 5 DA A N1 4 +ATOM 2131 C C2 . DA A 1 18 B -2.700 1.723 13.483 1.00 0.00 ? 5 DA A C2 4 +ATOM 2132 N N3 . DA A 1 18 B -3.852 1.149 13.814 1.00 0.00 ? 5 DA A N3 4 +ATOM 2133 C C4 . DA A 1 18 B -3.717 -0.182 14.069 1.00 0.00 ? 5 DA A C4 4 +ATOM 2134 H "H5'" . DA A 1 18 B -7.500 -2.724 17.775 1.00 0.00 ? 5 DA A "H5'" 4 +ATOM 2135 H "H5''" . DA A 1 18 B -9.012 -3.051 16.913 1.00 0.00 ? 5 DA A "H5''" 4 +ATOM 2136 H "H4'" . DA A 1 18 B -8.412 -0.796 16.504 1.00 0.00 ? 5 DA A "H4'" 4 +ATOM 2137 H "H3'" . DA A 1 18 B -8.853 -2.602 14.369 1.00 0.00 ? 5 DA A "H3'" 4 +ATOM 2138 H "H2'" . DA A 1 18 B -6.639 -2.746 13.807 1.00 0.00 ? 5 DA A "H2'" 4 +ATOM 2139 H "H2''" . DA A 1 18 B -7.096 -1.412 12.742 1.00 0.00 ? 5 DA A "H2''" 4 +ATOM 2140 H "H1'" . DA A 1 18 B -6.383 0.269 14.397 1.00 0.00 ? 5 DA A "H1'" 4 +ATOM 2141 H H8 . DA A 1 18 B -4.636 -3.165 14.811 1.00 0.00 ? 5 DA A H8 4 +ATOM 2142 H H61 . DA A 1 18 B 0.536 -0.057 13.270 1.00 0.00 ? 5 DA A H61 4 +ATOM 2143 H H62 . DA A 1 18 B -0.064 -1.639 13.787 1.00 0.00 ? 5 DA A H62 4 +ATOM 2144 H H2 . DA A 1 18 B -2.744 2.777 13.261 1.00 0.00 ? 5 DA A H2 4 +ATOM 2145 P P . DT A 1 19 B -9.789 -0.413 12.732 1.00 0.00 ? 6 DT A P 4 +ATOM 2146 O OP1 . DT A 1 19 B -11.156 0.107 12.951 1.00 0.00 ? 6 DT A OP1 4 +ATOM 2147 O OP2 . DT A 1 19 B -9.592 -1.677 11.992 1.00 0.00 ? 6 DT A OP2 4 +ATOM 2148 O "O5'" . DT A 1 19 B -8.927 0.734 11.997 1.00 0.00 ? 6 DT A "O5'" 4 +ATOM 2149 C "C5'" . DT A 1 19 B -9.028 2.091 12.400 1.00 0.00 ? 6 DT A "C5'" 4 +ATOM 2150 C "C4'" . DT A 1 19 B -8.136 3.018 11.556 1.00 0.00 ? 6 DT A "C4'" 4 +ATOM 2151 O "O4'" . DT A 1 19 B -6.762 2.692 11.739 1.00 0.00 ? 6 DT A "O4'" 4 +ATOM 2152 C "C3'" . DT A 1 19 B -8.440 2.969 10.043 1.00 0.00 ? 6 DT A "C3'" 4 +ATOM 2153 O "O3'" . DT A 1 19 B -8.505 4.279 9.509 1.00 0.00 ? 6 DT A "O3'" 4 +ATOM 2154 C "C2'" . DT A 1 19 B -7.221 2.224 9.514 1.00 0.00 ? 6 DT A "C2'" 4 +ATOM 2155 C "C1'" . DT A 1 19 B -6.138 2.704 10.474 1.00 0.00 ? 6 DT A "C1'" 4 +ATOM 2156 N N1 . DT A 1 19 B -4.952 1.809 10.499 1.00 0.00 ? 6 DT A N1 4 +ATOM 2157 C C2 . DT A 1 19 B -3.710 2.364 10.193 1.00 0.00 ? 6 DT A C2 4 +ATOM 2158 O O2 . DT A 1 19 B -3.526 3.539 9.916 1.00 0.00 ? 6 DT A O2 4 +ATOM 2159 N N3 . DT A 1 19 B -2.639 1.512 10.171 1.00 0.00 ? 6 DT A N3 4 +ATOM 2160 C C4 . DT A 1 19 B -2.687 0.161 10.398 1.00 0.00 ? 6 DT A C4 4 +ATOM 2161 O O4 . DT A 1 19 B -1.655 -0.484 10.272 1.00 0.00 ? 6 DT A O4 4 +ATOM 2162 C C5 . DT A 1 19 B -4.000 -0.369 10.765 1.00 0.00 ? 6 DT A C5 4 +ATOM 2163 C C7 . DT A 1 19 B -4.201 -1.862 11.031 1.00 0.00 ? 6 DT A C7 4 +ATOM 2164 C C6 . DT A 1 19 B -5.072 0.467 10.813 1.00 0.00 ? 6 DT A C6 4 +ATOM 2165 H "H5'" . DT A 1 19 B -8.733 2.188 13.448 1.00 0.00 ? 6 DT A "H5'" 4 +ATOM 2166 H "H5''" . DT A 1 19 B -10.060 2.432 12.298 1.00 0.00 ? 6 DT A "H5''" 4 +ATOM 2167 H "H4'" . DT A 1 19 B -8.291 4.036 11.919 1.00 0.00 ? 6 DT A "H4'" 4 +ATOM 2168 H "H3'" . DT A 1 19 B -9.367 2.425 9.845 1.00 0.00 ? 6 DT A "H3'" 4 +ATOM 2169 H "H2'" . DT A 1 19 B -7.415 1.162 9.612 1.00 0.00 ? 6 DT A "H2'" 4 +ATOM 2170 H "H2''" . DT A 1 19 B -6.994 2.453 8.476 1.00 0.00 ? 6 DT A "H2''" 4 +ATOM 2171 H "H1'" . DT A 1 19 B -5.907 3.736 10.214 1.00 0.00 ? 6 DT A "H1'" 4 +ATOM 2172 H H3 . DT A 1 19 B -1.747 1.926 9.926 1.00 0.00 ? 6 DT A H3 4 +ATOM 2173 H H71 . DT A 1 19 B -4.290 -2.392 10.082 1.00 0.00 ? 6 DT A H71 4 +ATOM 2174 H H72 . DT A 1 19 B -3.349 -2.274 11.576 1.00 0.00 ? 6 DT A H72 4 +ATOM 2175 H H73 . DT A 1 19 B -5.100 -2.057 11.616 1.00 0.00 ? 6 DT A H73 4 +ATOM 2176 H H6 . DT A 1 19 B -6.029 0.070 11.122 1.00 0.00 ? 6 DT A H6 4 +ATOM 2177 P P . DC A 1 20 B -8.893 4.550 7.969 1.00 0.00 ? 7 DC A P 4 +ATOM 2178 O OP1 . DC A 1 20 B -9.792 5.724 7.925 1.00 0.00 ? 7 DC A OP1 4 +ATOM 2179 O OP2 . DC A 1 20 B -9.318 3.273 7.358 1.00 0.00 ? 7 DC A OP2 4 +ATOM 2180 O "O5'" . DC A 1 20 B -7.484 4.972 7.312 1.00 0.00 ? 7 DC A "O5'" 4 +ATOM 2181 C "C5'" . DC A 1 20 B -6.906 6.239 7.585 1.00 0.00 ? 7 DC A "C5'" 4 +ATOM 2182 C "C4'" . DC A 1 20 B -5.565 6.433 6.857 1.00 0.00 ? 7 DC A "C4'" 4 +ATOM 2183 O "O4'" . DC A 1 20 B -4.596 5.507 7.342 1.00 0.00 ? 7 DC A "O4'" 4 +ATOM 2184 C "C3'" . DC A 1 20 B -5.657 6.261 5.325 1.00 0.00 ? 7 DC A "C3'" 4 +ATOM 2185 O "O3'" . DC A 1 20 B -4.927 7.292 4.684 1.00 0.00 ? 7 DC A "O3'" 4 +ATOM 2186 C "C2'" . DC A 1 20 B -4.963 4.917 5.142 1.00 0.00 ? 7 DC A "C2'" 4 +ATOM 2187 C "C1'" . DC A 1 20 B -3.895 5.001 6.229 1.00 0.00 ? 7 DC A "C1'" 4 +ATOM 2188 N N1 . DC A 1 20 B -3.337 3.665 6.544 1.00 0.00 ? 7 DC A N1 4 +ATOM 2189 C C2 . DC A 1 20 B -1.971 3.452 6.384 1.00 0.00 ? 7 DC A C2 4 +ATOM 2190 O O2 . DC A 1 20 B -1.214 4.362 6.076 1.00 0.00 ? 7 DC A O2 4 +ATOM 2191 N N3 . DC A 1 20 B -1.441 2.213 6.546 1.00 0.00 ? 7 DC A N3 4 +ATOM 2192 C C4 . DC A 1 20 B -2.242 1.233 6.921 1.00 0.00 ? 7 DC A C4 4 +ATOM 2193 N N4 . DC A 1 20 B -1.680 0.067 7.065 1.00 0.00 ? 7 DC A N4 4 +ATOM 2194 C C5 . DC A 1 20 B -3.644 1.389 7.119 1.00 0.00 ? 7 DC A C5 4 +ATOM 2195 C C6 . DC A 1 20 B -4.151 2.629 6.928 1.00 0.00 ? 7 DC A C6 4 +ATOM 2196 H "H5'" . DC A 1 20 B -6.737 6.349 8.659 1.00 0.00 ? 7 DC A "H5'" 4 +ATOM 2197 H "H5''" . DC A 1 20 B -7.583 7.031 7.258 1.00 0.00 ? 7 DC A "H5''" 4 +ATOM 2198 H "H4'" . DC A 1 20 B -5.214 7.441 7.087 1.00 0.00 ? 7 DC A "H4'" 4 +ATOM 2199 H "H3'" . DC A 1 20 B -6.694 6.241 4.981 1.00 0.00 ? 7 DC A "H3'" 4 +ATOM 2200 H "H2'" . DC A 1 20 B -5.692 4.131 5.342 1.00 0.00 ? 7 DC A "H2'" 4 +ATOM 2201 H "H2''" . DC A 1 20 B -4.544 4.776 4.149 1.00 0.00 ? 7 DC A "H2''" 4 +ATOM 2202 H "H1'" . DC A 1 20 B -3.145 5.741 5.938 1.00 0.00 ? 7 DC A "H1'" 4 +ATOM 2203 H H41 . DC A 1 20 B -0.689 0.066 6.878 1.00 0.00 ? 7 DC A H41 4 +ATOM 2204 H H42 . DC A 1 20 B -2.191 -0.727 7.397 1.00 0.00 ? 7 DC A H42 4 +ATOM 2205 H H5 . DC A 1 20 B -4.294 0.581 7.409 1.00 0.00 ? 7 DC A H5 4 +ATOM 2206 H H6 . DC A 1 20 B -5.209 2.805 7.078 1.00 0.00 ? 7 DC A H6 4 +ATOM 2207 P P . DC A 1 21 B -4.886 7.447 3.082 1.00 0.00 ? 8 DC A P 4 +ATOM 2208 O OP1 . DC A 1 21 B -5.213 8.850 2.751 1.00 0.00 ? 8 DC A OP1 4 +ATOM 2209 O OP2 . DC A 1 21 B -5.659 6.344 2.474 1.00 0.00 ? 8 DC A OP2 4 +ATOM 2210 O "O5'" . DC A 1 21 B -3.328 7.201 2.752 1.00 0.00 ? 8 DC A "O5'" 4 +ATOM 2211 C "C5'" . DC A 1 21 B -2.340 8.133 3.164 1.00 0.00 ? 8 DC A "C5'" 4 +ATOM 2212 C "C4'" . DC A 1 21 B -0.926 7.720 2.720 1.00 0.00 ? 8 DC A "C4'" 4 +ATOM 2213 O "O4'" . DC A 1 21 B -0.541 6.491 3.333 1.00 0.00 ? 8 DC A "O4'" 4 +ATOM 2214 C "C3'" . DC A 1 21 B -0.785 7.559 1.195 1.00 0.00 ? 8 DC A "C3'" 4 +ATOM 2215 O "O3'" . DC A 1 21 B 0.427 8.144 0.750 1.00 0.00 ? 8 DC A "O3'" 4 +ATOM 2216 C "C2'" . DC A 1 21 B -0.769 6.050 1.057 1.00 0.00 ? 8 DC A "C2'" 4 +ATOM 2217 C "C1'" . DC A 1 21 B -0.071 5.606 2.336 1.00 0.00 ? 8 DC A "C1'" 4 +ATOM 2218 N N1 . DC A 1 21 B -0.473 4.220 2.680 1.00 0.00 ? 8 DC A N1 4 +ATOM 2219 C C2 . DC A 1 21 B 0.471 3.200 2.602 1.00 0.00 ? 8 DC A C2 4 +ATOM 2220 O O2 . DC A 1 21 B 1.622 3.410 2.244 1.00 0.00 ? 8 DC A O2 4 +ATOM 2221 N N3 . DC A 1 21 B 0.135 1.926 2.924 1.00 0.00 ? 8 DC A N3 4 +ATOM 2222 C C4 . DC A 1 21 B -1.103 1.680 3.320 1.00 0.00 ? 8 DC A C4 4 +ATOM 2223 N N4 . DC A 1 21 B -1.366 0.447 3.640 1.00 0.00 ? 8 DC A N4 4 +ATOM 2224 C C5 . DC A 1 21 B -2.125 2.668 3.373 1.00 0.00 ? 8 DC A C5 4 +ATOM 2225 C C6 . DC A 1 21 B -1.765 3.932 3.048 1.00 0.00 ? 8 DC A C6 4 +ATOM 2226 H "H5'" . DC A 1 21 B -2.347 8.223 4.253 1.00 0.00 ? 8 DC A "H5'" 4 +ATOM 2227 H "H5''" . DC A 1 21 B -2.555 9.114 2.735 1.00 0.00 ? 8 DC A "H5''" 4 +ATOM 2228 H "H4'" . DC A 1 21 B -0.241 8.497 3.064 1.00 0.00 ? 8 DC A "H4'" 4 +ATOM 2229 H "H3'" . DC A 1 21 B -1.645 7.951 0.651 1.00 0.00 ? 8 DC A "H3'" 4 +ATOM 2230 H "H2'" . DC A 1 21 B -1.798 5.696 1.002 1.00 0.00 ? 8 DC A "H2'" 4 +ATOM 2231 H "H2''" . DC A 1 21 B -0.223 5.751 0.176 1.00 0.00 ? 8 DC A "H2''" 4 +ATOM 2232 H "H1'" . DC A 1 21 B 1.007 5.753 2.237 1.00 0.00 ? 8 DC A "H1'" 4 +ATOM 2233 H H41 . DC A 1 21 B -0.573 -0.170 3.566 1.00 0.00 ? 8 DC A H41 4 +ATOM 2234 H H42 . DC A 1 21 B -2.269 0.173 3.970 1.00 0.00 ? 8 DC A H42 4 +ATOM 2235 H H5 . DC A 1 21 B -3.135 2.449 3.680 1.00 0.00 ? 8 DC A H5 4 +ATOM 2236 H H6 . DC A 1 21 B -2.502 4.724 3.075 1.00 0.00 ? 8 DC A H6 4 +ATOM 2237 P P . DT A 1 22 B 0.749 8.352 -0.815 1.00 0.00 ? 9 DT A P 4 +ATOM 2238 O OP1 . DT A 1 22 B 1.753 9.430 -0.938 1.00 0.00 ? 9 DT A OP1 4 +ATOM 2239 O OP2 . DT A 1 22 B -0.530 8.454 -1.548 1.00 0.00 ? 9 DT A OP2 4 +ATOM 2240 O "O5'" . DT A 1 22 B 1.453 6.970 -1.240 1.00 0.00 ? 9 DT A "O5'" 4 +ATOM 2241 C "C5'" . DT A 1 22 B 2.802 6.697 -0.903 1.00 0.00 ? 9 DT A "C5'" 4 +ATOM 2242 C "C4'" . DT A 1 22 B 3.201 5.276 -1.328 1.00 0.00 ? 9 DT A "C4'" 4 +ATOM 2243 O "O4'" . DT A 1 22 B 2.477 4.293 -0.606 1.00 0.00 ? 9 DT A "O4'" 4 +ATOM 2244 C "C3'" . DT A 1 22 B 2.944 4.969 -2.813 1.00 0.00 ? 9 DT A "C3'" 4 +ATOM 2245 O "O3'" . DT A 1 22 B 4.141 5.025 -3.563 1.00 0.00 ? 9 DT A "O3'" 4 +ATOM 2246 C "C2'" . DT A 1 22 B 2.426 3.529 -2.805 1.00 0.00 ? 9 DT A "C2'" 4 +ATOM 2247 C "C1'" . DT A 1 22 B 2.583 3.101 -1.346 1.00 0.00 ? 9 DT A "C1'" 4 +ATOM 2248 N N1 . DT A 1 22 B 1.532 2.146 -0.922 1.00 0.00 ? 9 DT A N1 4 +ATOM 2249 C C2 . DT A 1 22 B 1.930 0.869 -0.540 1.00 0.00 ? 9 DT A C2 4 +ATOM 2250 O O2 . DT A 1 22 B 3.073 0.445 -0.631 1.00 0.00 ? 9 DT A O2 4 +ATOM 2251 N N3 . DT A 1 22 B 0.956 0.038 -0.063 1.00 0.00 ? 9 DT A N3 4 +ATOM 2252 C C4 . DT A 1 22 B -0.368 0.350 0.093 1.00 0.00 ? 9 DT A C4 4 +ATOM 2253 O O4 . DT A 1 22 B -1.100 -0.509 0.573 1.00 0.00 ? 9 DT A O4 4 +ATOM 2254 C C5 . DT A 1 22 B -0.749 1.684 -0.386 1.00 0.00 ? 9 DT A C5 4 +ATOM 2255 C C7 . DT A 1 22 B -2.196 2.175 -0.366 1.00 0.00 ? 9 DT A C7 4 +ATOM 2256 C C6 . DT A 1 22 B 0.204 2.520 -0.878 1.00 0.00 ? 9 DT A C6 4 +ATOM 2257 H "H5'" . DT A 1 22 B 2.952 6.793 0.175 1.00 0.00 ? 9 DT A "H5'" 4 +ATOM 2258 H "H5''" . DT A 1 22 B 3.458 7.406 -1.413 1.00 0.00 ? 9 DT A "H5''" 4 +ATOM 2259 H "H4'" . DT A 1 22 B 4.262 5.136 -1.107 1.00 0.00 ? 9 DT A "H4'" 4 +ATOM 2260 H "H3'" . DT A 1 22 B 2.202 5.638 -3.254 1.00 0.00 ? 9 DT A "H3'" 4 +ATOM 2261 H "H2'" . DT A 1 22 B 1.381 3.542 -3.110 1.00 0.00 ? 9 DT A "H2'" 4 +ATOM 2262 H "H2''" . DT A 1 22 B 2.981 2.867 -3.466 1.00 0.00 ? 9 DT A "H2''" 4 +ATOM 2263 H "H1'" . DT A 1 22 B 3.599 2.723 -1.201 1.00 0.00 ? 9 DT A "H1'" 4 +ATOM 2264 H H3 . DT A 1 22 B 1.241 -0.901 0.177 1.00 0.00 ? 9 DT A H3 4 +ATOM 2265 H H71 . DT A 1 22 B -2.556 2.321 -1.386 1.00 0.00 ? 9 DT A H71 4 +ATOM 2266 H H72 . DT A 1 22 B -2.849 1.457 0.129 1.00 0.00 ? 9 DT A H72 4 +ATOM 2267 H H73 . DT A 1 22 B -2.268 3.123 0.171 1.00 0.00 ? 9 DT A H73 4 +ATOM 2268 H H6 . DT A 1 22 B -0.084 3.488 -1.267 1.00 0.00 ? 9 DT A H6 4 +ATOM 2269 O "O5'" . DA A 1 5 ? 7.319 -10.269 0.980 1.00 0.00 ? 1 DA A "O5'" 5 +ATOM 2270 C "C5'" . DA A 1 5 ? 5.966 -9.929 1.237 1.00 0.00 ? 1 DA A "C5'" 5 +ATOM 2271 C "C4'" . DA A 1 5 ? 5.463 -8.848 0.266 1.00 0.00 ? 1 DA A "C4'" 5 +ATOM 2272 O "O4'" . DA A 1 5 ? 4.122 -8.458 0.536 1.00 0.00 ? 1 DA A "O4'" 5 +ATOM 2273 C "C3'" . DA A 1 5 ? 6.272 -7.559 0.407 1.00 0.00 ? 1 DA A "C3'" 5 +ATOM 2274 O "O3'" . DA A 1 5 ? 7.279 -7.476 -0.575 1.00 0.00 ? 1 DA A "O3'" 5 +ATOM 2275 C "C2'" . DA A 1 5 ? 5.257 -6.437 0.214 1.00 0.00 ? 1 DA A "C2'" 5 +ATOM 2276 C "C1'" . DA A 1 5 ? 3.937 -7.170 -0.030 1.00 0.00 ? 1 DA A "C1'" 5 +ATOM 2277 N N9 . DA A 1 5 ? 2.765 -6.478 0.547 1.00 0.00 ? 1 DA A N9 5 +ATOM 2278 C C8 . DA A 1 5 ? 1.692 -7.002 1.229 1.00 0.00 ? 1 DA A C8 5 +ATOM 2279 N N7 . DA A 1 5 ? 0.755 -6.134 1.504 1.00 0.00 ? 1 DA A N7 5 +ATOM 2280 C C5 . DA A 1 5 ? 1.255 -4.940 0.967 1.00 0.00 ? 1 DA A C5 5 +ATOM 2281 C C6 . DA A 1 5 ? 0.793 -3.606 0.864 1.00 0.00 ? 1 DA A C6 5 +ATOM 2282 N N6 . DA A 1 5 ? -0.369 -3.175 1.315 1.00 0.00 ? 1 DA A N6 5 +ATOM 2283 N N1 . DA A 1 5 ? 1.506 -2.672 0.222 1.00 0.00 ? 1 DA A N1 5 +ATOM 2284 C C2 . DA A 1 5 ? 2.674 -3.027 -0.299 1.00 0.00 ? 1 DA A C2 5 +ATOM 2285 N N3 . DA A 1 5 ? 3.231 -4.232 -0.284 1.00 0.00 ? 1 DA A N3 5 +ATOM 2286 C C4 . DA A 1 5 ? 2.474 -5.148 0.379 1.00 0.00 ? 1 DA A C4 5 +ATOM 2287 H "H5'" . DA A 1 5 ? 5.875 -9.580 2.268 1.00 0.00 ? 1 DA A "H5'" 5 +ATOM 2288 H "H5''" . DA A 1 5 ? 5.356 -10.825 1.121 1.00 0.00 ? 1 DA A "H5''" 5 +ATOM 2289 H "H4'" . DA A 1 5 ? 5.540 -9.233 -0.755 1.00 0.00 ? 1 DA A "H4'" 5 +ATOM 2290 H "H3'" . DA A 1 5 ? 6.648 -7.520 1.431 1.00 0.00 ? 1 DA A "H3'" 5 +ATOM 2291 H "H2'" . DA A 1 5 ? 5.234 -5.824 1.115 1.00 0.00 ? 1 DA A "H2'" 5 +ATOM 2292 H "H2''" . DA A 1 5 ? 5.506 -5.799 -0.636 1.00 0.00 ? 1 DA A "H2''" 5 +ATOM 2293 H "H1'" . DA A 1 5 ? 3.772 -7.271 -1.106 1.00 0.00 ? 1 DA A "H1'" 5 +ATOM 2294 H H8 . DA A 1 5 ? 1.603 -8.047 1.499 1.00 0.00 ? 1 DA A H8 5 +ATOM 2295 H H61 . DA A 1 5 ? -0.563 -2.187 1.206 1.00 0.00 ? 1 DA A H61 5 +ATOM 2296 H H62 . DA A 1 5 ? -0.942 -3.788 1.866 1.00 0.00 ? 1 DA A H62 5 +ATOM 2297 H H2 . DA A 1 5 ? 3.225 -2.256 -0.813 1.00 0.00 ? 1 DA A H2 5 +ATOM 2298 H "HO5'" . DA A 1 5 ? 7.895 -9.486 1.076 1.00 0.00 ? 1 DA A "HO5'" 5 +ATOM 2299 P P . DG A 1 6 ? 8.798 -7.271 -0.136 1.00 0.00 ? 2 DG A P 5 +ATOM 2300 O OP1 . DG A 1 6 ? 9.647 -7.373 -1.339 1.00 0.00 ? 2 DG A OP1 5 +ATOM 2301 O OP2 . DG A 1 6 ? 9.006 -8.190 1.010 1.00 0.00 ? 2 DG A OP2 5 +ATOM 2302 O "O5'" . DG A 1 6 ? 8.777 -5.740 0.372 1.00 0.00 ? 2 DG A "O5'" 5 +ATOM 2303 C "C5'" . DG A 1 6 ? 8.729 -5.379 1.746 1.00 0.00 ? 2 DG A "C5'" 5 +ATOM 2304 C "C4'" . DG A 1 6 ? 8.386 -3.882 1.884 1.00 0.00 ? 2 DG A "C4'" 5 +ATOM 2305 O "O4'" . DG A 1 6 ? 6.991 -3.645 1.667 1.00 0.00 ? 2 DG A "O4'" 5 +ATOM 2306 C "C3'" . DG A 1 6 ? 8.714 -3.306 3.280 1.00 0.00 ? 2 DG A "C3'" 5 +ATOM 2307 O "O3'" . DG A 1 6 ? 9.440 -2.101 3.134 1.00 0.00 ? 2 DG A "O3'" 5 +ATOM 2308 C "C2'" . DG A 1 6 ? 7.321 -3.040 3.843 1.00 0.00 ? 2 DG A "C2'" 5 +ATOM 2309 C "C1'" . DG A 1 6 ? 6.584 -2.638 2.573 1.00 0.00 ? 2 DG A "C1'" 5 +ATOM 2310 N N9 . DG A 1 6 ? 5.118 -2.633 2.763 1.00 0.00 ? 2 DG A N9 5 +ATOM 2311 C C8 . DG A 1 6 ? 4.289 -3.668 3.114 1.00 0.00 ? 2 DG A C8 5 +ATOM 2312 N N7 . DG A 1 6 ? 3.033 -3.343 3.228 1.00 0.00 ? 2 DG A N7 5 +ATOM 2313 C C5 . DG A 1 6 ? 3.030 -1.971 2.959 1.00 0.00 ? 2 DG A C5 5 +ATOM 2314 C C6 . DG A 1 6 ? 1.977 -0.996 2.957 1.00 0.00 ? 2 DG A C6 5 +ATOM 2315 O O6 . DG A 1 6 ? 0.785 -1.161 3.176 1.00 0.00 ? 2 DG A O6 5 +ATOM 2316 N N1 . DG A 1 6 ? 2.386 0.288 2.659 1.00 0.00 ? 2 DG A N1 5 +ATOM 2317 C C2 . DG A 1 6 ? 3.669 0.601 2.357 1.00 0.00 ? 2 DG A C2 5 +ATOM 2318 N N2 . DG A 1 6 ? 3.939 1.863 2.173 1.00 0.00 ? 2 DG A N2 5 +ATOM 2319 N N3 . DG A 1 6 ? 4.678 -0.266 2.353 1.00 0.00 ? 2 DG A N3 5 +ATOM 2320 C C4 . DG A 1 6 ? 4.299 -1.537 2.662 1.00 0.00 ? 2 DG A C4 5 +ATOM 2321 H "H5'" . DG A 1 6 ? 9.716 -5.567 2.174 1.00 0.00 ? 2 DG A "H5'" 5 +ATOM 2322 H "H5''" . DG A 1 6 ? 7.992 -5.957 2.304 1.00 0.00 ? 2 DG A "H5''" 5 +ATOM 2323 H "H4'" . DG A 1 6 ? 8.957 -3.335 1.130 1.00 0.00 ? 2 DG A "H4'" 5 +ATOM 2324 H "H3'" . DG A 1 6 ? 9.266 -4.021 3.896 1.00 0.00 ? 2 DG A "H3'" 5 +ATOM 2325 H "H2'" . DG A 1 6 ? 6.924 -3.966 4.259 1.00 0.00 ? 2 DG A "H2'" 5 +ATOM 2326 H "H2''" . DG A 1 6 ? 7.301 -2.260 4.602 1.00 0.00 ? 2 DG A "H2''" 5 +ATOM 2327 H "H1'" . DG A 1 6 ? 6.939 -1.665 2.222 1.00 0.00 ? 2 DG A "H1'" 5 +ATOM 2328 H H8 . DG A 1 6 ? 4.628 -4.673 3.296 1.00 0.00 ? 2 DG A H8 5 +ATOM 2329 H H1 . DG A 1 6 ? 1.662 0.998 2.684 1.00 0.00 ? 2 DG A H1 5 +ATOM 2330 H H21 . DG A 1 6 ? 3.211 2.559 2.239 1.00 0.00 ? 2 DG A H21 5 +ATOM 2331 H H22 . DG A 1 6 ? 4.916 2.078 2.082 1.00 0.00 ? 2 DG A H22 5 +ATOM 2332 P P . DG A 1 7 ? 9.983 -1.271 4.400 1.00 0.00 ? 3 DG A P 5 +ATOM 2333 O OP1 . DG A 1 7 ? 11.362 -0.837 4.092 1.00 0.00 ? 3 DG A OP1 5 +ATOM 2334 O OP2 . DG A 1 7 ? 9.710 -2.056 5.622 1.00 0.00 ? 3 DG A OP2 5 +ATOM 2335 O "O5'" . DG A 1 7 ? 9.029 0.030 4.400 1.00 0.00 ? 3 DG A "O5'" 5 +ATOM 2336 C "C5'" . DG A 1 7 ? 9.087 0.970 3.337 1.00 0.00 ? 3 DG A "C5'" 5 +ATOM 2337 C "C4'" . DG A 1 7 ? 8.244 2.233 3.591 1.00 0.00 ? 3 DG A "C4'" 5 +ATOM 2338 O "O4'" . DG A 1 7 ? 6.848 1.939 3.607 1.00 0.00 ? 3 DG A "O4'" 5 +ATOM 2339 C "C3'" . DG A 1 7 ? 8.586 2.935 4.917 1.00 0.00 ? 3 DG A "C3'" 5 +ATOM 2340 O "O3'" . DG A 1 7 ? 8.553 4.339 4.727 1.00 0.00 ? 3 DG A "O3'" 5 +ATOM 2341 C "C2'" . DG A 1 7 ? 7.436 2.485 5.810 1.00 0.00 ? 3 DG A "C2'" 5 +ATOM 2342 C "C1'" . DG A 1 7 ? 6.285 2.440 4.809 1.00 0.00 ? 3 DG A "C1'" 5 +ATOM 2343 N N9 . DG A 1 7 ? 5.189 1.548 5.241 1.00 0.00 ? 3 DG A N9 5 +ATOM 2344 C C8 . DG A 1 7 ? 5.207 0.190 5.440 1.00 0.00 ? 3 DG A C8 5 +ATOM 2345 N N7 . DG A 1 7 ? 4.046 -0.323 5.745 1.00 0.00 ? 3 DG A N7 5 +ATOM 2346 C C5 . DG A 1 7 ? 3.189 0.783 5.751 1.00 0.00 ? 3 DG A C5 5 +ATOM 2347 C C6 . DG A 1 7 ? 1.780 0.915 6.000 1.00 0.00 ? 3 DG A C6 5 +ATOM 2348 O O6 . DG A 1 7 ? 0.970 0.046 6.296 1.00 0.00 ? 3 DG A O6 5 +ATOM 2349 N N1 . DG A 1 7 ? 1.298 2.206 5.895 1.00 0.00 ? 3 DG A N1 5 +ATOM 2350 C C2 . DG A 1 7 ? 2.078 3.253 5.532 1.00 0.00 ? 3 DG A C2 5 +ATOM 2351 N N2 . DG A 1 7 ? 1.524 4.431 5.501 1.00 0.00 ? 3 DG A N2 5 +ATOM 2352 N N3 . DG A 1 7 ? 3.380 3.179 5.297 1.00 0.00 ? 3 DG A N3 5 +ATOM 2353 C C4 . DG A 1 7 ? 3.884 1.922 5.426 1.00 0.00 ? 3 DG A C4 5 +ATOM 2354 H "H5'" . DG A 1 7 ? 8.745 0.501 2.412 1.00 0.00 ? 3 DG A "H5'" 5 +ATOM 2355 H "H5''" . DG A 1 7 ? 10.120 1.296 3.194 1.00 0.00 ? 3 DG A "H5''" 5 +ATOM 2356 H "H4'" . DG A 1 7 ? 8.458 2.903 2.753 1.00 0.00 ? 3 DG A "H4'" 5 +ATOM 2357 H "H3'" . DG A 1 7 ? 9.557 2.611 5.299 1.00 0.00 ? 3 DG A "H3'" 5 +ATOM 2358 H "H2'" . DG A 1 7 ? 7.649 1.505 6.233 1.00 0.00 ? 3 DG A "H2'" 5 +ATOM 2359 H "H2''" . DG A 1 7 ? 7.259 3.182 6.621 1.00 0.00 ? 3 DG A "H2''" 5 +ATOM 2360 H "H1'" . DG A 1 7 ? 5.913 3.455 4.645 1.00 0.00 ? 3 DG A "H1'" 5 +ATOM 2361 H H8 . DG A 1 7 ? 6.094 -0.415 5.332 1.00 0.00 ? 3 DG A H8 5 +ATOM 2362 H H1 . DG A 1 7 ? 0.310 2.335 6.084 1.00 0.00 ? 3 DG A H1 5 +ATOM 2363 H H21 . DG A 1 7 ? 0.560 4.560 5.767 1.00 0.00 ? 3 DG A H21 5 +ATOM 2364 H H22 . DG A 1 7 ? 2.153 5.190 5.313 1.00 0.00 ? 3 DG A H22 5 +ATOM 2365 P P . DA A 1 8 ? 8.961 5.365 5.897 1.00 0.00 ? 4 DA A P 5 +ATOM 2366 O OP1 . DA A 1 8 ? 9.439 6.609 5.256 1.00 0.00 ? 4 DA A OP1 5 +ATOM 2367 O OP2 . DA A 1 8 ? 9.831 4.650 6.853 1.00 0.00 ? 4 DA A OP2 5 +ATOM 2368 O "O5'" . DA A 1 8 ? 7.556 5.680 6.628 1.00 0.00 ? 4 DA A "O5'" 5 +ATOM 2369 C "C5'" . DA A 1 8 ? 6.609 6.560 6.045 1.00 0.00 ? 4 DA A "C5'" 5 +ATOM 2370 C "C4'" . DA A 1 8 ? 5.368 6.769 6.930 1.00 0.00 ? 4 DA A "C4'" 5 +ATOM 2371 O "O4'" . DA A 1 8 ? 4.510 5.635 6.975 1.00 0.00 ? 4 DA A "O4'" 5 +ATOM 2372 C "C3'" . DA A 1 8 ? 5.671 7.170 8.389 1.00 0.00 ? 4 DA A "C3'" 5 +ATOM 2373 O "O3'" . DA A 1 8 ? 5.142 8.457 8.653 1.00 0.00 ? 4 DA A "O3'" 5 +ATOM 2374 C "C2'" . DA A 1 8 ? 4.982 6.061 9.172 1.00 0.00 ? 4 DA A "C2'" 5 +ATOM 2375 C "C1'" . DA A 1 8 ? 3.861 5.643 8.230 1.00 0.00 ? 4 DA A "C1'" 5 +ATOM 2376 N N9 . DA A 1 8 ? 3.409 4.275 8.534 1.00 0.00 ? 4 DA A N9 5 +ATOM 2377 C C8 . DA A 1 8 ? 4.168 3.134 8.572 1.00 0.00 ? 4 DA A C8 5 +ATOM 2378 N N7 . DA A 1 8 ? 3.495 2.046 8.824 1.00 0.00 ? 4 DA A N7 5 +ATOM 2379 C C5 . DA A 1 8 ? 2.185 2.516 8.968 1.00 0.00 ? 4 DA A C5 5 +ATOM 2380 C C6 . DA A 1 8 ? 0.939 1.916 9.247 1.00 0.00 ? 4 DA A C6 5 +ATOM 2381 N N6 . DA A 1 8 ? 0.784 0.625 9.451 1.00 0.00 ? 4 DA A N6 5 +ATOM 2382 N N1 . DA A 1 8 ? -0.177 2.646 9.357 1.00 0.00 ? 4 DA A N1 5 +ATOM 2383 C C2 . DA A 1 8 ? -0.084 3.956 9.155 1.00 0.00 ? 4 DA A C2 5 +ATOM 2384 N N3 . DA A 1 8 ? 1.013 4.653 8.874 1.00 0.00 ? 4 DA A N3 5 +ATOM 2385 C C4 . DA A 1 8 ? 2.125 3.872 8.797 1.00 0.00 ? 4 DA A C4 5 +ATOM 2386 H "H5'" . DA A 1 8 ? 6.289 6.178 5.073 1.00 0.00 ? 4 DA A "H5'" 5 +ATOM 2387 H "H5''" . DA A 1 8 ? 7.072 7.539 5.898 1.00 0.00 ? 4 DA A "H5''" 5 +ATOM 2388 H "H4'" . DA A 1 8 ? 4.784 7.565 6.462 1.00 0.00 ? 4 DA A "H4'" 5 +ATOM 2389 H "H3'" . DA A 1 8 ? 6.734 7.111 8.614 1.00 0.00 ? 4 DA A "H3'" 5 +ATOM 2390 H "H2'" . DA A 1 8 ? 5.703 5.259 9.326 1.00 0.00 ? 4 DA A "H2'" 5 +ATOM 2391 H "H2''" . DA A 1 8 ? 4.602 6.398 10.128 1.00 0.00 ? 4 DA A "H2''" 5 +ATOM 2392 H "H1'" . DA A 1 8 ? 3.047 6.372 8.239 1.00 0.00 ? 4 DA A "H1'" 5 +ATOM 2393 H H8 . DA A 1 8 ? 5.237 3.141 8.411 1.00 0.00 ? 4 DA A H8 5 +ATOM 2394 H H61 . DA A 1 8 ? -0.142 0.295 9.672 1.00 0.00 ? 4 DA A H61 5 +ATOM 2395 H H62 . DA A 1 8 ? 1.581 0.016 9.382 1.00 0.00 ? 4 DA A H62 5 +ATOM 2396 H H2 . DA A 1 8 ? -0.999 4.521 9.239 1.00 0.00 ? 4 DA A H2 5 +ATOM 2397 P P . DT A 1 9 ? 5.407 9.225 10.042 1.00 0.00 ? 5 DT A P 5 +ATOM 2398 O OP1 . DT A 1 9 ? 5.233 10.674 9.805 1.00 0.00 ? 5 DT A OP1 5 +ATOM 2399 O OP2 . DT A 1 9 ? 6.661 8.715 10.633 1.00 0.00 ? 5 DT A OP2 5 +ATOM 2400 O "O5'" . DT A 1 9 ? 4.179 8.717 10.943 1.00 0.00 ? 5 DT A "O5'" 5 +ATOM 2401 C "C5'" . DT A 1 9 ? 2.848 9.083 10.629 1.00 0.00 ? 5 DT A "C5'" 5 +ATOM 2402 C "C4'" . DT A 1 9 ? 1.860 8.276 11.479 1.00 0.00 ? 5 DT A "C4'" 5 +ATOM 2403 O "O4'" . DT A 1 9 ? 1.898 6.888 11.191 1.00 0.00 ? 5 DT A "O4'" 5 +ATOM 2404 C "C3'" . DT A 1 9 ? 1.998 8.457 13.002 1.00 0.00 ? 5 DT A "C3'" 5 +ATOM 2405 O "O3'" . DT A 1 9 ? 0.822 9.050 13.520 1.00 0.00 ? 5 DT A "O3'" 5 +ATOM 2406 C "C2'" . DT A 1 9 ? 2.130 7.001 13.431 1.00 0.00 ? 5 DT A "C2'" 5 +ATOM 2407 C "C1'" . DT A 1 9 ? 1.337 6.289 12.330 1.00 0.00 ? 5 DT A "C1'" 5 +ATOM 2408 N N1 . DT A 1 9 ? 1.570 4.825 12.292 1.00 0.00 ? 5 DT A N1 5 +ATOM 2409 C C2 . DT A 1 9 ? 0.459 3.991 12.398 1.00 0.00 ? 5 DT A C2 5 +ATOM 2410 O O2 . DT A 1 9 ? -0.696 4.382 12.456 1.00 0.00 ? 5 DT A O2 5 +ATOM 2411 N N3 . DT A 1 9 ? 0.705 2.648 12.469 1.00 0.00 ? 5 DT A N3 5 +ATOM 2412 C C4 . DT A 1 9 ? 1.937 2.050 12.423 1.00 0.00 ? 5 DT A C4 5 +ATOM 2413 O O4 . DT A 1 9 ? 1.991 0.836 12.561 1.00 0.00 ? 5 DT A O4 5 +ATOM 2414 C C5 . DT A 1 9 ? 3.064 2.962 12.224 1.00 0.00 ? 5 DT A C5 5 +ATOM 2415 C C7 . DT A 1 9 ? 4.494 2.436 12.094 1.00 0.00 ? 5 DT A C7 5 +ATOM 2416 C C6 . DT A 1 9 ? 2.843 4.303 12.171 1.00 0.00 ? 5 DT A C6 5 +ATOM 2417 H "H5'" . DT A 1 9 ? 2.628 8.884 9.578 1.00 0.00 ? 5 DT A "H5'" 5 +ATOM 2418 H "H5''" . DT A 1 9 ? 2.700 10.148 10.824 1.00 0.00 ? 5 DT A "H5''" 5 +ATOM 2419 H "H4'" . DT A 1 9 ? 0.840 8.549 11.229 1.00 0.00 ? 5 DT A "H4'" 5 +ATOM 2420 H "H3'" . DT A 1 9 ? 2.890 9.033 13.262 1.00 0.00 ? 5 DT A "H3'" 5 +ATOM 2421 H "H2'" . DT A 1 9 ? 3.190 6.754 13.415 1.00 0.00 ? 5 DT A "H2'" 5 +ATOM 2422 H "H2''" . DT A 1 9 ? 1.755 6.830 14.432 1.00 0.00 ? 5 DT A "H2''" 5 +ATOM 2423 H "H1'" . DT A 1 9 ? 0.275 6.574 12.348 1.00 0.00 ? 5 DT A "H1'" 5 +ATOM 2424 H H3 . DT A 1 9 ? -0.105 2.066 12.644 1.00 0.00 ? 5 DT A H3 5 +ATOM 2425 H H71 . DT A 1 9 ? 4.494 1.476 11.572 1.00 0.00 ? 5 DT A H71 5 +ATOM 2426 H H72 . DT A 1 9 ? 5.125 3.122 11.526 1.00 0.00 ? 5 DT A H72 5 +ATOM 2427 H H73 . DT A 1 9 ? 4.929 2.296 13.085 1.00 0.00 ? 5 DT A H73 5 +ATOM 2428 H H6 . DT A 1 9 ? 3.680 4.974 12.035 1.00 0.00 ? 5 DT A H6 5 +ATOM 2429 P P . DC A 1 10 ? 0.684 9.487 15.058 1.00 0.00 ? 6 DC A P 5 +ATOM 2430 O OP1 . DC A 1 10 ? 0.344 10.924 15.102 1.00 0.00 ? 6 DC A OP1 5 +ATOM 2431 O OP2 . DC A 1 10 ? 1.849 8.973 15.808 1.00 0.00 ? 6 DC A OP2 5 +ATOM 2432 O "O5'" . DC A 1 10 ? -0.610 8.644 15.506 1.00 0.00 ? 6 DC A "O5'" 5 +ATOM 2433 C "C5'" . DC A 1 10 ? -1.895 8.929 14.976 1.00 0.00 ? 6 DC A "C5'" 5 +ATOM 2434 C "C4'" . DC A 1 10 ? -2.961 7.953 15.507 1.00 0.00 ? 6 DC A "C4'" 5 +ATOM 2435 O "O4'" . DC A 1 10 ? -2.679 6.629 15.065 1.00 0.00 ? 6 DC A "O4'" 5 +ATOM 2436 C "C3'" . DC A 1 10 ? -3.036 7.932 17.043 1.00 0.00 ? 6 DC A "C3'" 5 +ATOM 2437 O "O3'" . DC A 1 10 ? -4.378 7.764 17.464 1.00 0.00 ? 6 DC A "O3'" 5 +ATOM 2438 C "C2'" . DC A 1 10 ? -2.214 6.692 17.363 1.00 0.00 ? 6 DC A "C2'" 5 +ATOM 2439 C "C1'" . DC A 1 10 ? -2.584 5.783 16.194 1.00 0.00 ? 6 DC A "C1'" 5 +ATOM 2440 N N1 . DC A 1 10 ? -1.528 4.765 15.973 1.00 0.00 ? 6 DC A N1 5 +ATOM 2441 C C2 . DC A 1 10 ? -1.779 3.450 16.345 1.00 0.00 ? 6 DC A C2 5 +ATOM 2442 O O2 . DC A 1 10 ? -2.880 3.102 16.744 1.00 0.00 ? 6 DC A O2 5 +ATOM 2443 N N3 . DC A 1 10 ? -0.799 2.514 16.279 1.00 0.00 ? 6 DC A N3 5 +ATOM 2444 C C4 . DC A 1 10 ? 0.392 2.879 15.840 1.00 0.00 ? 6 DC A C4 5 +ATOM 2445 N N4 . DC A 1 10 ? 1.292 1.938 15.825 1.00 0.00 ? 6 DC A N4 5 +ATOM 2446 C C5 . DC A 1 10 ? 0.711 4.209 15.432 1.00 0.00 ? 6 DC A C5 5 +ATOM 2447 C C6 . DC A 1 10 ? -0.288 5.119 15.504 1.00 0.00 ? 6 DC A C6 5 +ATOM 2448 H "H5'" . DC A 1 10 ? -1.877 8.857 13.886 1.00 0.00 ? 6 DC A "H5'" 5 +ATOM 2449 H "H5''" . DC A 1 10 ? -2.188 9.944 15.251 1.00 0.00 ? 6 DC A "H5''" 5 +ATOM 2450 H "H4'" . DC A 1 10 ? -3.925 8.262 15.097 1.00 0.00 ? 6 DC A "H4'" 5 +ATOM 2451 H "H3'" . DC A 1 10 ? -2.598 8.841 17.465 1.00 0.00 ? 6 DC A "H3'" 5 +ATOM 2452 H "H2'" . DC A 1 10 ? -1.157 6.959 17.348 1.00 0.00 ? 6 DC A "H2'" 5 +ATOM 2453 H "H2''" . DC A 1 10 ? -2.465 6.261 18.329 1.00 0.00 ? 6 DC A "H2''" 5 +ATOM 2454 H "H1'" . DC A 1 10 ? -3.578 5.363 16.366 1.00 0.00 ? 6 DC A "H1'" 5 +ATOM 2455 H H41 . DC A 1 10 ? 0.943 1.043 16.137 1.00 0.00 ? 6 DC A H41 5 +ATOM 2456 H H42 . DC A 1 10 ? 2.229 2.107 15.518 1.00 0.00 ? 6 DC A H42 5 +ATOM 2457 H H5 . DC A 1 10 ? 1.679 4.523 15.064 1.00 0.00 ? 6 DC A H5 5 +ATOM 2458 H H6 . DC A 1 10 ? -0.106 6.134 15.181 1.00 0.00 ? 6 DC A H6 5 +ATOM 2459 P P . DC A 1 11 ? -4.798 7.892 19.012 1.00 0.00 ? 7 DC A P 5 +ATOM 2460 O OP1 . DC A 1 11 ? -6.153 8.480 19.062 1.00 0.00 ? 7 DC A OP1 5 +ATOM 2461 O OP2 . DC A 1 11 ? -3.689 8.547 19.736 1.00 0.00 ? 7 DC A OP2 5 +ATOM 2462 O "O5'" . DC A 1 11 ? -4.889 6.365 19.525 1.00 0.00 ? 7 DC A "O5'" 5 +ATOM 2463 C "C5'" . DC A 1 11 ? -6.059 5.584 19.326 1.00 0.00 ? 7 DC A "C5'" 5 +ATOM 2464 C "C4'" . DC A 1 11 ? -5.987 4.241 20.079 1.00 0.00 ? 7 DC A "C4'" 5 +ATOM 2465 O "O4'" . DC A 1 11 ? -5.051 3.359 19.459 1.00 0.00 ? 7 DC A "O4'" 5 +ATOM 2466 C "C3'" . DC A 1 11 ? -5.579 4.409 21.561 1.00 0.00 ? 7 DC A "C3'" 5 +ATOM 2467 O "O3'" . DC A 1 11 ? -6.390 3.622 22.403 1.00 0.00 ? 7 DC A "O3'" 5 +ATOM 2468 C "C2'" . DC A 1 11 ? -4.160 3.864 21.516 1.00 0.00 ? 7 DC A "C2'" 5 +ATOM 2469 C "C1'" . DC A 1 11 ? -4.300 2.751 20.486 1.00 0.00 ? 7 DC A "C1'" 5 +ATOM 2470 N N1 . DC A 1 11 ? -2.965 2.341 20.005 1.00 0.00 ? 7 DC A N1 5 +ATOM 2471 C C2 . DC A 1 11 ? -2.511 1.046 20.256 1.00 0.00 ? 7 DC A C2 5 +ATOM 2472 O O2 . DC A 1 11 ? -3.265 0.165 20.649 1.00 0.00 ? 7 DC A O2 5 +ATOM 2473 N N3 . DC A 1 11 ? -1.198 0.730 20.076 1.00 0.00 ? 7 DC A N3 5 +ATOM 2474 C C4 . DC A 1 11 ? -0.363 1.699 19.733 1.00 0.00 ? 7 DC A C4 5 +ATOM 2475 N N4 . DC A 1 11 ? 0.882 1.373 19.546 1.00 0.00 ? 7 DC A N4 5 +ATOM 2476 C C5 . DC A 1 11 ? -0.766 3.050 19.564 1.00 0.00 ? 7 DC A C5 5 +ATOM 2477 C C6 . DC A 1 11 ? -2.077 3.316 19.654 1.00 0.00 ? 7 DC A C6 5 +ATOM 2478 H "H5'" . DC A 1 11 ? -6.211 5.399 18.261 1.00 0.00 ? 7 DC A "H5'" 5 +ATOM 2479 H "H5''" . DC A 1 11 ? -6.928 6.120 19.714 1.00 0.00 ? 7 DC A "H5''" 5 +ATOM 2480 H "H4'" . DC A 1 11 ? -6.974 3.777 20.025 1.00 0.00 ? 7 DC A "H4'" 5 +ATOM 2481 H "H3'" . DC A 1 11 ? -5.611 5.459 21.867 1.00 0.00 ? 7 DC A "H3'" 5 +ATOM 2482 H "H2'" . DC A 1 11 ? -3.555 4.693 21.189 1.00 0.00 ? 7 DC A "H2'" 5 +ATOM 2483 H "H2''" . DC A 1 11 ? -3.692 3.502 22.421 1.00 0.00 ? 7 DC A "H2''" 5 +ATOM 2484 H "H1'" . DC A 1 11 ? -4.878 1.945 20.932 1.00 0.00 ? 7 DC A "H1'" 5 +ATOM 2485 H H41 . DC A 1 11 ? 1.099 0.403 19.702 1.00 0.00 ? 7 DC A H41 5 +ATOM 2486 H H42 . DC A 1 11 ? 1.553 2.058 19.263 1.00 0.00 ? 7 DC A H42 5 +ATOM 2487 H H5 . DC A 1 11 ? -0.116 3.891 19.508 1.00 0.00 ? 7 DC A H5 5 +ATOM 2488 H H6 . DC A 1 11 ? -2.403 4.334 19.505 1.00 0.00 ? 7 DC A H6 5 +ATOM 2489 P P . DT A 1 12 ? -6.277 3.732 23.999 1.00 0.00 ? 8 DT A P 5 +ATOM 2490 O OP1 . DT A 1 12 ? -7.622 4.015 24.542 1.00 0.00 ? 8 DT A OP1 5 +ATOM 2491 O OP2 . DT A 1 12 ? -5.132 4.602 24.346 1.00 0.00 ? 8 DT A OP2 5 +ATOM 2492 O "O5'" . DT A 1 12 ? -5.870 2.238 24.398 1.00 0.00 ? 8 DT A "O5'" 5 +ATOM 2493 C "C5'" . DT A 1 12 ? -6.761 1.153 24.240 1.00 0.00 ? 8 DT A "C5'" 5 +ATOM 2494 C "C4'" . DT A 1 12 ? -6.188 -0.127 24.872 1.00 0.00 ? 8 DT A "C4'" 5 +ATOM 2495 O "O4'" . DT A 1 12 ? -5.009 -0.566 24.201 1.00 0.00 ? 8 DT A "O4'" 5 +ATOM 2496 C "C3'" . DT A 1 12 ? -5.804 0.055 26.351 1.00 0.00 ? 8 DT A "C3'" 5 +ATOM 2497 O "O3'" . DT A 1 12 ? -5.942 -1.230 26.946 1.00 0.00 ? 8 DT A "O3'" 5 +ATOM 2498 C "C2'" . DT A 1 12 ? -4.358 0.491 26.227 1.00 0.00 ? 8 DT A "C2'" 5 +ATOM 2499 C "C1'" . DT A 1 12 ? -3.924 -0.409 25.097 1.00 0.00 ? 8 DT A "C1'" 5 +ATOM 2500 N N1 . DT A 1 12 ? -2.723 0.031 24.363 1.00 0.00 ? 8 DT A N1 5 +ATOM 2501 C C2 . DT A 1 12 ? -1.911 -0.978 23.863 1.00 0.00 ? 8 DT A C2 5 +ATOM 2502 O O2 . DT A 1 12 ? -2.126 -2.173 24.008 1.00 0.00 ? 8 DT A O2 5 +ATOM 2503 N N3 . DT A 1 12 ? -0.764 -0.584 23.233 1.00 0.00 ? 8 DT A N3 5 +ATOM 2504 C C4 . DT A 1 12 ? -0.353 0.712 23.061 1.00 0.00 ? 8 DT A C4 5 +ATOM 2505 O O4 . DT A 1 12 ? 0.778 0.904 22.635 1.00 0.00 ? 8 DT A O4 5 +ATOM 2506 C C5 . DT A 1 12 ? -1.343 1.731 23.424 1.00 0.00 ? 8 DT A C5 5 +ATOM 2507 C C7 . DT A 1 12 ? -1.052 3.217 23.214 1.00 0.00 ? 8 DT A C7 5 +ATOM 2508 C C6 . DT A 1 12 ? -2.497 1.357 24.047 1.00 0.00 ? 8 DT A C6 5 +ATOM 2509 H "H5'" . DT A 1 12 ? -6.951 0.976 23.179 1.00 0.00 ? 8 DT A "H5'" 5 +ATOM 2510 H "H5''" . DT A 1 12 ? -7.711 1.371 24.734 1.00 0.00 ? 8 DT A "H5''" 5 +ATOM 2511 H "H4'" . DT A 1 12 ? -6.953 -0.899 24.771 1.00 0.00 ? 8 DT A "H4'" 5 +ATOM 2512 H "H3'" . DT A 1 12 ? -6.340 0.856 26.851 1.00 0.00 ? 8 DT A "H3'" 5 +ATOM 2513 H "H2'" . DT A 1 12 ? -4.267 1.544 26.012 1.00 0.00 ? 8 DT A "H2'" 5 +ATOM 2514 H "H2''" . DT A 1 12 ? -3.797 0.294 27.114 1.00 0.00 ? 8 DT A "H2''" 5 +ATOM 2515 H "H1'" . DT A 1 12 ? -3.740 -1.327 25.656 1.00 0.00 ? 8 DT A "H1'" 5 +ATOM 2516 H H3 . DT A 1 12 ? -0.134 -1.323 22.962 1.00 0.00 ? 8 DT A H3 5 +ATOM 2517 H H71 . DT A 1 12 ? -1.491 3.819 24.012 1.00 0.00 ? 8 DT A H71 5 +ATOM 2518 H H72 . DT A 1 12 ? 0.024 3.390 23.212 1.00 0.00 ? 8 DT A H72 5 +ATOM 2519 H H73 . DT A 1 12 ? -1.444 3.560 22.261 1.00 0.00 ? 8 DT A H73 5 +ATOM 2520 H H6 . DT A 1 12 ? -3.253 2.101 24.294 1.00 0.00 ? 8 DT A H6 5 +ATOM 2521 P P . DT A 1 13 ? -5.731 -1.519 28.508 1.00 0.00 ? 9 DT A P 5 +ATOM 2522 O OP1 . DT A 1 13 ? -6.149 -2.913 28.767 1.00 0.00 ? 9 DT A OP1 5 +ATOM 2523 O OP2 . DT A 1 13 ? -6.375 -0.418 29.250 1.00 0.00 ? 9 DT A OP2 5 +ATOM 2524 O "O5'" . DT A 1 13 ? -4.127 -1.440 28.698 1.00 0.00 ? 9 DT A "O5'" 5 +ATOM 2525 C "C5'" . DT A 1 13 ? -3.282 -2.475 28.206 1.00 0.00 ? 9 DT A "C5'" 5 +ATOM 2526 C "C4'" . DT A 1 13 ? -1.795 -2.066 28.144 1.00 0.00 ? 9 DT A "C4'" 5 +ATOM 2527 O "O4'" . DT A 1 13 ? -1.555 -0.886 27.361 1.00 0.00 ? 9 DT A "O4'" 5 +ATOM 2528 C "C3'" . DT A 1 13 ? -1.201 -1.867 29.543 1.00 0.00 ? 9 DT A "C3'" 5 +ATOM 2529 O "O3'" . DT A 1 13 ? -0.528 -3.014 30.009 1.00 0.00 ? 9 DT A "O3'" 5 +ATOM 2530 C "C2'" . DT A 1 13 ? -0.189 -0.759 29.269 1.00 0.00 ? 9 DT A "C2'" 5 +ATOM 2531 C "C1'" . DT A 1 13 ? -0.717 0.019 28.067 1.00 0.00 ? 9 DT A "C1'" 5 +ATOM 2532 N N1 . DT A 1 13 ? -1.494 1.239 28.367 1.00 0.00 ? 9 DT A N1 5 +ATOM 2533 C C2 . DT A 1 13 ? -1.581 2.204 27.363 1.00 0.00 ? 9 DT A C2 5 +ATOM 2534 O O2 . DT A 1 13 ? -0.826 2.260 26.404 1.00 0.00 ? 9 DT A O2 5 +ATOM 2535 N N3 . DT A 1 13 ? -2.564 3.151 27.484 1.00 0.00 ? 9 DT A N3 5 +ATOM 2536 C C4 . DT A 1 13 ? -3.471 3.228 28.512 1.00 0.00 ? 9 DT A C4 5 +ATOM 2537 O O4 . DT A 1 13 ? -4.278 4.148 28.502 1.00 0.00 ? 9 DT A O4 5 +ATOM 2538 C C5 . DT A 1 13 ? -3.334 2.190 29.535 1.00 0.00 ? 9 DT A C5 5 +ATOM 2539 C C7 . DT A 1 13 ? -4.410 1.947 30.578 1.00 0.00 ? 9 DT A C7 5 +ATOM 2540 C C6 . DT A 1 13 ? -2.363 1.249 29.424 1.00 0.00 ? 9 DT A C6 5 +ATOM 2541 H "H5'" . DT A 1 13 ? -3.587 -2.794 27.209 1.00 0.00 ? 9 DT A "H5'" 5 +ATOM 2542 H "H5''" . DT A 1 13 ? -3.374 -3.344 28.862 1.00 0.00 ? 9 DT A "H5''" 5 +ATOM 2543 H "H4'" . DT A 1 13 ? -1.256 -2.878 27.657 1.00 0.00 ? 9 DT A "H4'" 5 +ATOM 2544 H "H3'" . DT A 1 13 ? -1.983 -1.578 30.245 1.00 0.00 ? 9 DT A "H3'" 5 +ATOM 2545 H "H2'" . DT A 1 13 ? 0.045 -0.165 30.143 1.00 0.00 ? 9 DT A "H2'" 5 +ATOM 2546 H "H2''" . DT A 1 13 ? 0.735 -1.228 28.959 1.00 0.00 ? 9 DT A "H2''" 5 +ATOM 2547 H "H1'" . DT A 1 13 ? 0.143 0.344 27.482 1.00 0.00 ? 9 DT A "H1'" 5 +ATOM 2548 H H3 . DT A 1 13 ? -2.676 3.811 26.738 1.00 0.00 ? 9 DT A H3 5 +ATOM 2549 H H71 . DT A 1 13 ? -5.179 2.721 30.566 1.00 0.00 ? 9 DT A H71 5 +ATOM 2550 H H72 . DT A 1 13 ? -4.864 0.994 30.285 1.00 0.00 ? 9 DT A H72 5 +ATOM 2551 H H73 . DT A 1 13 ? -3.987 1.862 31.580 1.00 0.00 ? 9 DT A H73 5 +ATOM 2552 H H6 . DT A 1 13 ? -2.281 0.457 30.149 1.00 0.00 ? 9 DT A H6 5 +ATOM 2553 P P . DT A 1 14 B 0.037 -3.072 31.510 1.00 0.00 ? 1 DT A P 5 +ATOM 2554 O OP1 . DT A 1 14 B -1.112 -3.001 32.436 1.00 0.00 ? 1 DT A OP1 5 +ATOM 2555 O OP2 . DT A 1 14 B 1.138 -2.091 31.631 1.00 0.00 ? 1 DT A OP2 5 +ATOM 2556 O "O5'" . DT A 1 14 B 0.670 -4.547 31.591 1.00 0.00 ? 1 DT A "O5'" 5 +ATOM 2557 C "C5'" . DT A 1 14 B 1.862 -4.878 30.898 1.00 0.00 ? 1 DT A "C5'" 5 +ATOM 2558 C "C4'" . DT A 1 14 B 1.655 -6.099 29.986 1.00 0.00 ? 1 DT A "C4'" 5 +ATOM 2559 O "O4'" . DT A 1 14 B 0.741 -5.779 28.934 1.00 0.00 ? 1 DT A "O4'" 5 +ATOM 2560 C "C3'" . DT A 1 14 B 2.993 -6.498 29.335 1.00 0.00 ? 1 DT A "C3'" 5 +ATOM 2561 O "O3'" . DT A 1 14 B 3.117 -7.908 29.254 1.00 0.00 ? 1 DT A "O3'" 5 +ATOM 2562 C "C2'" . DT A 1 14 B 2.838 -5.856 27.970 1.00 0.00 ? 1 DT A "C2'" 5 +ATOM 2563 C "C1'" . DT A 1 14 B 1.359 -6.055 27.696 1.00 0.00 ? 1 DT A "C1'" 5 +ATOM 2564 N N1 . DT A 1 14 B 0.898 -5.124 26.637 1.00 0.00 ? 1 DT A N1 5 +ATOM 2565 C C2 . DT A 1 14 B 0.312 -5.676 25.500 1.00 0.00 ? 1 DT A C2 5 +ATOM 2566 O O2 . DT A 1 14 B -0.134 -6.813 25.431 1.00 0.00 ? 1 DT A O2 5 +ATOM 2567 N N3 . DT A 1 14 B 0.228 -4.864 24.398 1.00 0.00 ? 1 DT A N3 5 +ATOM 2568 C C4 . DT A 1 14 B 0.600 -3.545 24.354 1.00 0.00 ? 1 DT A C4 5 +ATOM 2569 O O4 . DT A 1 14 B 0.589 -2.980 23.268 1.00 0.00 ? 1 DT A O4 5 +ATOM 2570 C C5 . DT A 1 14 B 0.992 -2.959 25.640 1.00 0.00 ? 1 DT A C5 5 +ATOM 2571 C C7 . DT A 1 14 B 1.223 -1.451 25.759 1.00 0.00 ? 1 DT A C7 5 +ATOM 2572 C C6 . DT A 1 14 B 1.134 -3.766 26.733 1.00 0.00 ? 1 DT A C6 5 +ATOM 2573 H "H5'" . DT A 1 14 B 2.613 -5.121 31.652 1.00 0.00 ? 1 DT A "H5'" 5 +ATOM 2574 H "H5''" . DT A 1 14 B 2.248 -4.053 30.293 1.00 0.00 ? 1 DT A "H5''" 5 +ATOM 2575 H "H4'" . DT A 1 14 B 1.263 -6.925 30.584 1.00 0.00 ? 1 DT A "H4'" 5 +ATOM 2576 H "H3'" . DT A 1 14 B 3.837 -6.046 29.855 1.00 0.00 ? 1 DT A "H3'" 5 +ATOM 2577 H "H2'" . DT A 1 14 B 3.133 -4.811 28.042 1.00 0.00 ? 1 DT A "H2'" 5 +ATOM 2578 H "H2''" . DT A 1 14 B 3.413 -6.352 27.207 1.00 0.00 ? 1 DT A "H2''" 5 +ATOM 2579 H "H1'" . DT A 1 14 B 1.226 -7.107 27.438 1.00 0.00 ? 1 DT A "H1'" 5 +ATOM 2580 H H3 . DT A 1 14 B -0.181 -5.248 23.569 1.00 0.00 ? 1 DT A H3 5 +ATOM 2581 H H71 . DT A 1 14 B 1.775 -1.201 26.666 1.00 0.00 ? 1 DT A H71 5 +ATOM 2582 H H72 . DT A 1 14 B 0.259 -0.923 25.761 1.00 0.00 ? 1 DT A H72 5 +ATOM 2583 H H73 . DT A 1 14 B 1.803 -1.095 24.905 1.00 0.00 ? 1 DT A H73 5 +ATOM 2584 H H6 . DT A 1 14 B 1.450 -3.373 27.701 1.00 0.00 ? 1 DT A H6 5 +ATOM 2585 P P . DU A 1 15 B 4.441 -8.622 28.670 1.00 0.00 ? 2 DU A P 5 +ATOM 2586 O OP1 . DU A 1 15 B 4.435 -10.032 29.110 1.00 0.00 ? 2 DU A OP1 5 +ATOM 2587 O OP2 . DU A 1 15 B 5.602 -7.754 28.954 1.00 0.00 ? 2 DU A OP2 5 +ATOM 2588 O "O5'" . DU A 1 15 B 4.177 -8.610 27.083 1.00 0.00 ? 2 DU A "O5'" 5 +ATOM 2589 C "C5'" . DU A 1 15 B 3.079 -9.303 26.524 1.00 0.00 ? 2 DU A "C5'" 5 +ATOM 2590 C "C4'" . DU A 1 15 B 2.676 -8.791 25.122 1.00 0.00 ? 2 DU A "C4'" 5 +ATOM 2591 O "O4'" . DU A 1 15 B 2.611 -7.378 24.991 1.00 0.00 ? 2 DU A "O4'" 5 +ATOM 2592 C "C3'" . DU A 1 15 B 3.365 -9.375 23.879 1.00 0.00 ? 2 DU A "C3'" 5 +ATOM 2593 O "O3'" . DU A 1 15 B 2.462 -10.296 23.242 1.00 0.00 ? 2 DU A "O3'" 5 +ATOM 2594 C "C2'" . DU A 1 15 B 3.683 -8.139 23.010 1.00 0.00 ? 2 DU A "C2'" 5 +ATOM 2595 C "C1'" . DU A 1 15 B 3.126 -6.918 23.742 1.00 0.00 ? 2 DU A "C1'" 5 +ATOM 2596 N N1 . DU A 1 15 B 4.137 -5.943 24.098 1.00 0.00 ? 2 DU A N1 5 +ATOM 2597 C C2 . DU A 1 15 B 4.111 -4.628 23.813 1.00 0.00 ? 2 DU A C2 5 +ATOM 2598 O O2 . DU A 1 15 B 3.452 -4.150 22.902 1.00 0.00 ? 2 DU A O2 5 +ATOM 2599 N N3 . DU A 1 15 B 4.751 -3.742 24.656 1.00 0.00 ? 2 DU A N3 5 +ATOM 2600 C C4 . DU A 1 15 B 5.313 -4.091 25.866 1.00 0.00 ? 2 DU A C4 5 +ATOM 2601 O O4 . DU A 1 15 B 5.649 -3.203 26.636 1.00 0.00 ? 2 DU A O4 5 +ATOM 2602 C C5 . DU A 1 15 B 5.463 -5.521 26.067 1.00 0.00 ? 2 DU A C5 5 +ATOM 2603 C C6 . DU A 1 15 B 5.037 -6.398 25.150 1.00 0.00 ? 2 DU A C6 5 +ATOM 2604 H "H5'" . DU A 1 15 B 2.199 -9.187 27.161 1.00 0.00 ? 2 DU A "H5'" 5 +ATOM 2605 H "H5''" . DU A 1 15 B 3.307 -10.369 26.467 1.00 0.00 ? 2 DU A "H5''" 5 +ATOM 2606 H "H4'" . DU A 1 15 B 1.628 -8.999 25.075 1.00 0.00 ? 2 DU A "H4'" 5 +ATOM 2607 H "H3'" . DU A 1 15 B 4.285 -9.900 24.186 1.00 0.00 ? 2 DU A "H3'" 5 +ATOM 2608 H "H2'" . DU A 1 15 B 4.766 -8.059 22.842 1.00 0.00 ? 2 DU A "H2'" 5 +ATOM 2609 H "H2''" . DU A 1 15 B 3.193 -8.206 22.034 1.00 0.00 ? 2 DU A "H2''" 5 +ATOM 2610 H "H1'" . DU A 1 15 B 2.292 -6.472 23.179 1.00 0.00 ? 2 DU A "H1'" 5 +ATOM 2611 H H3 . DU A 1 15 B 4.621 -2.767 24.470 1.00 0.00 ? 2 DU A H3 5 +ATOM 2612 H H5 . DU A 1 15 B 5.783 -6.017 26.960 1.00 0.00 ? 2 DU A H5 5 +ATOM 2613 H H6 . DU A 1 15 B 5.269 -7.440 25.277 1.00 0.00 ? 2 DU A H6 5 +ATOM 2614 P P . DG A 1 16 B 3.122 -11.091 21.987 1.00 0.00 ? 3 DG A P 5 +ATOM 2615 O OP1 . DG A 1 16 B 2.289 -12.282 21.715 1.00 0.00 ? 3 DG A OP1 5 +ATOM 2616 O OP2 . DG A 1 16 B 4.568 -11.263 22.251 1.00 0.00 ? 3 DG A OP2 5 +ATOM 2617 O "O5'" . DG A 1 16 B 2.970 -10.090 20.731 1.00 0.00 ? 3 DG A "O5'" 5 +ATOM 2618 C "C5'" . DG A 1 16 B 1.767 -9.968 19.983 1.00 0.00 ? 3 DG A "C5'" 5 +ATOM 2619 C "C4'" . DG A 1 16 B 0.577 -9.355 20.754 1.00 0.00 ? 3 DG A "C4'" 5 +ATOM 2620 O "O4'" . DG A 1 16 B 0.910 -8.050 21.225 1.00 0.00 ? 3 DG A "O4'" 5 +ATOM 2621 C "C3'" . DG A 1 16 B -0.632 -9.195 19.811 1.00 0.00 ? 3 DG A "C3'" 5 +ATOM 2622 O "O3'" . DG A 1 16 B -1.845 -9.370 20.519 1.00 0.00 ? 3 DG A "O3'" 5 +ATOM 2623 C "C2'" . DG A 1 16 B -0.481 -7.745 19.377 1.00 0.00 ? 3 DG A "C2'" 5 +ATOM 2624 C "C1'" . DG A 1 16 B 0.006 -7.110 20.674 1.00 0.00 ? 3 DG A "C1'" 5 +ATOM 2625 N N9 . DG A 1 16 B 0.704 -5.838 20.411 1.00 0.00 ? 3 DG A N9 5 +ATOM 2626 C C8 . DG A 1 16 B 1.975 -5.647 19.933 1.00 0.00 ? 3 DG A C8 5 +ATOM 2627 N N7 . DG A 1 16 B 2.298 -4.397 19.751 1.00 0.00 ? 3 DG A N7 5 +ATOM 2628 C C5 . DG A 1 16 B 1.140 -3.703 20.124 1.00 0.00 ? 3 DG A C5 5 +ATOM 2629 C C6 . DG A 1 16 B 0.808 -2.307 20.113 1.00 0.00 ? 3 DG A C6 5 +ATOM 2630 O O6 . DG A 1 16 B 1.524 -1.354 19.833 1.00 0.00 ? 3 DG A O6 5 +ATOM 2631 N N1 . DG A 1 16 B -0.502 -2.024 20.456 1.00 0.00 ? 3 DG A N1 5 +ATOM 2632 C C2 . DG A 1 16 B -1.386 -2.981 20.827 1.00 0.00 ? 3 DG A C2 5 +ATOM 2633 N N2 . DG A 1 16 B -2.625 -2.598 20.962 1.00 0.00 ? 3 DG A N2 5 +ATOM 2634 N N3 . DG A 1 16 B -1.121 -4.285 20.866 1.00 0.00 ? 3 DG A N3 5 +ATOM 2635 C C4 . DG A 1 16 B 0.158 -4.584 20.508 1.00 0.00 ? 3 DG A C4 5 +ATOM 2636 H "H5'" . DG A 1 16 B 1.482 -10.947 19.590 1.00 0.00 ? 3 DG A "H5'" 5 +ATOM 2637 H "H5''" . DG A 1 16 B 1.995 -9.327 19.131 1.00 0.00 ? 3 DG A "H5''" 5 +ATOM 2638 H "H4'" . DG A 1 16 B 0.311 -10.005 21.589 1.00 0.00 ? 3 DG A "H4'" 5 +ATOM 2639 H "H3'" . DG A 1 16 B -0.554 -9.883 18.965 1.00 0.00 ? 3 DG A "H3'" 5 +ATOM 2640 H "H2'" . DG A 1 16 B 0.275 -7.674 18.595 1.00 0.00 ? 3 DG A "H2'" 5 +ATOM 2641 H "H2''" . DG A 1 16 B -1.413 -7.303 19.034 1.00 0.00 ? 3 DG A "H2''" 5 +ATOM 2642 H "H1'" . DG A 1 16 B -0.828 -6.974 21.367 1.00 0.00 ? 3 DG A "H1'" 5 +ATOM 2643 H H8 . DG A 1 16 B 2.650 -6.459 19.706 1.00 0.00 ? 3 DG A H8 5 +ATOM 2644 H H1 . DG A 1 16 B -0.795 -1.055 20.400 1.00 0.00 ? 3 DG A H1 5 +ATOM 2645 H H21 . DG A 1 16 B -2.889 -1.631 20.846 1.00 0.00 ? 3 DG A H21 5 +ATOM 2646 H H22 . DG A 1 16 B -3.285 -3.343 21.101 1.00 0.00 ? 3 DG A H22 5 +ATOM 2647 P P . DG A 1 17 B -3.241 -9.597 19.747 1.00 0.00 ? 4 DG A P 5 +ATOM 2648 O OP1 . DG A 1 17 B -4.195 -10.188 20.709 1.00 0.00 ? 4 DG A OP1 5 +ATOM 2649 O OP2 . DG A 1 17 B -2.944 -10.307 18.485 1.00 0.00 ? 4 DG A OP2 5 +ATOM 2650 O "O5'" . DG A 1 17 B -3.755 -8.113 19.374 1.00 0.00 ? 4 DG A "O5'" 5 +ATOM 2651 C "C5'" . DG A 1 17 B -4.520 -7.340 20.286 1.00 0.00 ? 4 DG A "C5'" 5 +ATOM 2652 C "C4'" . DG A 1 17 B -5.034 -6.026 19.663 1.00 0.00 ? 4 DG A "C4'" 5 +ATOM 2653 O "O4'" . DG A 1 17 B -4.001 -5.042 19.573 1.00 0.00 ? 4 DG A "O4'" 5 +ATOM 2654 C "C3'" . DG A 1 17 B -5.610 -6.208 18.240 1.00 0.00 ? 4 DG A "C3'" 5 +ATOM 2655 O "O3'" . DG A 1 17 B -6.781 -5.417 18.104 1.00 0.00 ? 4 DG A "O3'" 5 +ATOM 2656 C "C2'" . DG A 1 17 B -4.467 -5.631 17.412 1.00 0.00 ? 4 DG A "C2'" 5 +ATOM 2657 C "C1'" . DG A 1 17 B -4.093 -4.447 18.292 1.00 0.00 ? 4 DG A "C1'" 5 +ATOM 2658 N N9 . DG A 1 17 B -2.826 -3.807 17.890 1.00 0.00 ? 4 DG A N9 5 +ATOM 2659 C C8 . DG A 1 17 B -1.604 -4.373 17.651 1.00 0.00 ? 4 DG A C8 5 +ATOM 2660 N N7 . DG A 1 17 B -0.670 -3.520 17.325 1.00 0.00 ? 4 DG A N7 5 +ATOM 2661 C C5 . DG A 1 17 B -1.337 -2.288 17.320 1.00 0.00 ? 4 DG A C5 5 +ATOM 2662 C C6 . DG A 1 17 B -0.909 -0.948 17.016 1.00 0.00 ? 4 DG A C6 5 +ATOM 2663 O O6 . DG A 1 17 B 0.208 -0.547 16.714 1.00 0.00 ? 4 DG A O6 5 +ATOM 2664 N N1 . DG A 1 17 B -1.919 -0.003 17.053 1.00 0.00 ? 4 DG A N1 5 +ATOM 2665 C C2 . DG A 1 17 B -3.196 -0.306 17.393 1.00 0.00 ? 4 DG A C2 5 +ATOM 2666 N N2 . DG A 1 17 B -4.080 0.647 17.326 1.00 0.00 ? 4 DG A N2 5 +ATOM 2667 N N3 . DG A 1 17 B -3.632 -1.521 17.690 1.00 0.00 ? 4 DG A N3 5 +ATOM 2668 C C4 . DG A 1 17 B -2.661 -2.471 17.637 1.00 0.00 ? 4 DG A C4 5 +ATOM 2669 H "H5'" . DG A 1 17 B -3.933 -7.114 21.178 1.00 0.00 ? 4 DG A "H5'" 5 +ATOM 2670 H "H5''" . DG A 1 17 B -5.400 -7.913 20.587 1.00 0.00 ? 4 DG A "H5''" 5 +ATOM 2671 H "H4'" . DG A 1 17 B -5.812 -5.649 20.332 1.00 0.00 ? 4 DG A "H4'" 5 +ATOM 2672 H "H3'" . DG A 1 17 B -5.812 -7.255 18.002 1.00 0.00 ? 4 DG A "H3'" 5 +ATOM 2673 H "H2'" . DG A 1 17 B -3.654 -6.355 17.369 1.00 0.00 ? 4 DG A "H2'" 5 +ATOM 2674 H "H2''" . DG A 1 17 B -4.754 -5.358 16.404 1.00 0.00 ? 4 DG A "H2''" 5 +ATOM 2675 H "H1'" . DG A 1 17 B -4.900 -3.711 18.277 1.00 0.00 ? 4 DG A "H1'" 5 +ATOM 2676 H H8 . DG A 1 17 B -1.430 -5.434 17.727 1.00 0.00 ? 4 DG A H8 5 +ATOM 2677 H H1 . DG A 1 17 B -1.651 0.947 16.821 1.00 0.00 ? 4 DG A H1 5 +ATOM 2678 H H21 . DG A 1 17 B -3.820 1.584 17.061 1.00 0.00 ? 4 DG A H21 5 +ATOM 2679 H H22 . DG A 1 17 B -5.028 0.354 17.480 1.00 0.00 ? 4 DG A H22 5 +ATOM 2680 P P . DA A 1 18 B -7.637 -5.361 16.741 1.00 0.00 ? 5 DA A P 5 +ATOM 2681 O OP1 . DA A 1 18 B -9.064 -5.491 17.103 1.00 0.00 ? 5 DA A OP1 5 +ATOM 2682 O OP2 . DA A 1 18 B -7.039 -6.302 15.770 1.00 0.00 ? 5 DA A OP2 5 +ATOM 2683 O "O5'" . DA A 1 18 B -7.392 -3.857 16.197 1.00 0.00 ? 5 DA A "O5'" 5 +ATOM 2684 C "C5'" . DA A 1 18 B -7.978 -2.735 16.845 1.00 0.00 ? 5 DA A "C5'" 5 +ATOM 2685 C "C4'" . DA A 1 18 B -7.831 -1.427 16.039 1.00 0.00 ? 5 DA A "C4'" 5 +ATOM 2686 O "O4'" . DA A 1 18 B -6.476 -0.990 15.991 1.00 0.00 ? 5 DA A "O4'" 5 +ATOM 2687 C "C3'" . DA A 1 18 B -8.337 -1.547 14.588 1.00 0.00 ? 5 DA A "C3'" 5 +ATOM 2688 O "O3'" . DA A 1 18 B -9.086 -0.399 14.230 1.00 0.00 ? 5 DA A "O3'" 5 +ATOM 2689 C "C2'" . DA A 1 18 B -7.031 -1.612 13.822 1.00 0.00 ? 5 DA A "C2'" 5 +ATOM 2690 C "C1'" . DA A 1 18 B -6.148 -0.682 14.650 1.00 0.00 ? 5 DA A "C1'" 5 +ATOM 2691 N N9 . DA A 1 18 B -4.726 -0.998 14.441 1.00 0.00 ? 5 DA A N9 5 +ATOM 2692 C C8 . DA A 1 18 B -4.123 -2.219 14.570 1.00 0.00 ? 5 DA A C8 5 +ATOM 2693 N N7 . DA A 1 18 B -2.841 -2.219 14.333 1.00 0.00 ? 5 DA A N7 5 +ATOM 2694 C C5 . DA A 1 18 B -2.584 -0.879 14.022 1.00 0.00 ? 5 DA A C5 5 +ATOM 2695 C C6 . DA A 1 18 B -1.436 -0.145 13.654 1.00 0.00 ? 5 DA A C6 5 +ATOM 2696 N N6 . DA A 1 18 B -0.235 -0.673 13.536 1.00 0.00 ? 5 DA A N6 5 +ATOM 2697 N N1 . DA A 1 18 B -1.505 1.164 13.382 1.00 0.00 ? 5 DA A N1 5 +ATOM 2698 C C2 . DA A 1 18 B -2.686 1.762 13.501 1.00 0.00 ? 5 DA A C2 5 +ATOM 2699 N N3 . DA A 1 18 B -3.844 1.205 13.838 1.00 0.00 ? 5 DA A N3 5 +ATOM 2700 C C4 . DA A 1 18 B -3.728 -0.129 14.086 1.00 0.00 ? 5 DA A C4 5 +ATOM 2701 H "H5'" . DA A 1 18 B -7.525 -2.601 17.829 1.00 0.00 ? 5 DA A "H5'" 5 +ATOM 2702 H "H5''" . DA A 1 18 B -9.048 -2.905 16.979 1.00 0.00 ? 5 DA A "H5''" 5 +ATOM 2703 H "H4'" . DA A 1 18 B -8.410 -0.661 16.559 1.00 0.00 ? 5 DA A "H4'" 5 +ATOM 2704 H "H3'" . DA A 1 18 B -8.900 -2.467 14.434 1.00 0.00 ? 5 DA A "H3'" 5 +ATOM 2705 H "H2'" . DA A 1 18 B -6.694 -2.647 13.851 1.00 0.00 ? 5 DA A "H2'" 5 +ATOM 2706 H "H2''" . DA A 1 18 B -7.139 -1.306 12.788 1.00 0.00 ? 5 DA A "H2''" 5 +ATOM 2707 H "H1'" . DA A 1 18 B -6.383 0.363 14.436 1.00 0.00 ? 5 DA A "H1'" 5 +ATOM 2708 H H8 . DA A 1 18 B -4.687 -3.100 14.830 1.00 0.00 ? 5 DA A H8 5 +ATOM 2709 H H61 . DA A 1 18 B 0.520 -0.066 13.255 1.00 0.00 ? 5 DA A H61 5 +ATOM 2710 H H62 . DA A 1 18 B -0.101 -1.642 13.768 1.00 0.00 ? 5 DA A H62 5 +ATOM 2711 H H2 . DA A 1 18 B -2.714 2.818 13.285 1.00 0.00 ? 5 DA A H2 5 +ATOM 2712 P P . DT A 1 19 B -9.816 -0.266 12.800 1.00 0.00 ? 6 DT A P 5 +ATOM 2713 O OP1 . DT A 1 19 B -11.173 0.272 13.030 1.00 0.00 ? 6 DT A OP1 5 +ATOM 2714 O OP2 . DT A 1 19 B -9.640 -1.532 12.059 1.00 0.00 ? 6 DT A OP2 5 +ATOM 2715 O "O5'" . DT A 1 19 B -8.945 0.870 12.058 1.00 0.00 ? 6 DT A "O5'" 5 +ATOM 2716 C "C5'" . DT A 1 19 B -9.022 2.227 12.464 1.00 0.00 ? 6 DT A "C5'" 5 +ATOM 2717 C "C4'" . DT A 1 19 B -8.123 3.142 11.615 1.00 0.00 ? 6 DT A "C4'" 5 +ATOM 2718 O "O4'" . DT A 1 19 B -6.753 2.795 11.787 1.00 0.00 ? 6 DT A "O4'" 5 +ATOM 2719 C "C3'" . DT A 1 19 B -8.438 3.101 10.105 1.00 0.00 ? 6 DT A "C3'" 5 +ATOM 2720 O "O3'" . DT A 1 19 B -8.486 4.414 9.573 1.00 0.00 ? 6 DT A "O3'" 5 +ATOM 2721 C "C2'" . DT A 1 19 B -7.236 2.337 9.565 1.00 0.00 ? 6 DT A "C2'" 5 +ATOM 2722 C "C1'" . DT A 1 19 B -6.138 2.798 10.518 1.00 0.00 ? 6 DT A "C1'" 5 +ATOM 2723 N N1 . DT A 1 19 B -4.966 1.884 10.533 1.00 0.00 ? 6 DT A N1 5 +ATOM 2724 C C2 . DT A 1 19 B -3.718 2.421 10.222 1.00 0.00 ? 6 DT A C2 5 +ATOM 2725 O O2 . DT A 1 19 B -3.516 3.594 9.947 1.00 0.00 ? 6 DT A O2 5 +ATOM 2726 N N3 . DT A 1 19 B -2.660 1.552 10.191 1.00 0.00 ? 6 DT A N3 5 +ATOM 2727 C C4 . DT A 1 19 B -2.728 0.201 10.415 1.00 0.00 ? 6 DT A C4 5 +ATOM 2728 O O4 . DT A 1 19 B -1.707 -0.459 10.281 1.00 0.00 ? 6 DT A O4 5 +ATOM 2729 C C5 . DT A 1 19 B -4.047 -0.308 10.788 1.00 0.00 ? 6 DT A C5 5 +ATOM 2730 C C7 . DT A 1 19 B -4.269 -1.799 11.051 1.00 0.00 ? 6 DT A C7 5 +ATOM 2731 C C6 . DT A 1 19 B -5.105 0.544 10.844 1.00 0.00 ? 6 DT A C6 5 +ATOM 2732 H "H5'" . DT A 1 19 B -8.719 2.319 13.510 1.00 0.00 ? 6 DT A "H5'" 5 +ATOM 2733 H "H5''" . DT A 1 19 B -10.050 2.584 12.369 1.00 0.00 ? 6 DT A "H5''" 5 +ATOM 2734 H "H4'" . DT A 1 19 B -8.259 4.162 11.981 1.00 0.00 ? 6 DT A "H4'" 5 +ATOM 2735 H "H3'" . DT A 1 19 B -9.376 2.573 9.913 1.00 0.00 ? 6 DT A "H3'" 5 +ATOM 2736 H "H2'" . DT A 1 19 B -7.446 1.279 9.662 1.00 0.00 ? 6 DT A "H2'" 5 +ATOM 2737 H "H2''" . DT A 1 19 B -7.013 2.565 8.526 1.00 0.00 ? 6 DT A "H2''" 5 +ATOM 2738 H "H1'" . DT A 1 19 B -5.892 3.826 10.257 1.00 0.00 ? 6 DT A "H1'" 5 +ATOM 2739 H H3 . DT A 1 19 B -1.763 1.953 9.943 1.00 0.00 ? 6 DT A H3 5 +ATOM 2740 H H71 . DT A 1 19 B -4.379 -2.325 10.102 1.00 0.00 ? 6 DT A H71 5 +ATOM 2741 H H72 . DT A 1 19 B -3.418 -2.227 11.584 1.00 0.00 ? 6 DT A H72 5 +ATOM 2742 H H73 . DT A 1 19 B -5.164 -1.981 11.646 1.00 0.00 ? 6 DT A H73 5 +ATOM 2743 H H6 . DT A 1 19 B -6.066 0.161 11.158 1.00 0.00 ? 6 DT A H6 5 +ATOM 2744 P P . DC A 1 20 B -8.881 4.694 8.037 1.00 0.00 ? 7 DC A P 5 +ATOM 2745 O OP1 . DC A 1 20 B -9.762 5.880 8.001 1.00 0.00 ? 7 DC A OP1 5 +ATOM 2746 O OP2 . DC A 1 20 B -9.328 3.425 7.425 1.00 0.00 ? 7 DC A OP2 5 +ATOM 2747 O "O5'" . DC A 1 20 B -7.470 5.097 7.372 1.00 0.00 ? 7 DC A "O5'" 5 +ATOM 2748 C "C5'" . DC A 1 20 B -6.871 6.354 7.643 1.00 0.00 ? 7 DC A "C5'" 5 +ATOM 2749 C "C4'" . DC A 1 20 B -5.532 6.529 6.908 1.00 0.00 ? 7 DC A "C4'" 5 +ATOM 2750 O "O4'" . DC A 1 20 B -4.574 5.587 7.385 1.00 0.00 ? 7 DC A "O4'" 5 +ATOM 2751 C "C3'" . DC A 1 20 B -5.636 6.363 5.377 1.00 0.00 ? 7 DC A "C3'" 5 +ATOM 2752 O "O3'" . DC A 1 20 B -4.893 7.383 4.733 1.00 0.00 ? 7 DC A "O3'" 5 +ATOM 2753 C "C2'" . DC A 1 20 B -4.965 5.008 5.186 1.00 0.00 ? 7 DC A "C2'" 5 +ATOM 2754 C "C1'" . DC A 1 20 B -3.889 5.072 6.266 1.00 0.00 ? 7 DC A "C1'" 5 +ATOM 2755 N N1 . DC A 1 20 B -3.351 3.726 6.575 1.00 0.00 ? 7 DC A N1 5 +ATOM 2756 C C2 . DC A 1 20 B -1.989 3.492 6.409 1.00 0.00 ? 7 DC A C2 5 +ATOM 2757 O O2 . DC A 1 20 B -1.219 4.390 6.100 1.00 0.00 ? 7 DC A O2 5 +ATOM 2758 N N3 . DC A 1 20 B -1.479 2.245 6.567 1.00 0.00 ? 7 DC A N3 5 +ATOM 2759 C C4 . DC A 1 20 B -2.294 1.276 6.941 1.00 0.00 ? 7 DC A C4 5 +ATOM 2760 N N4 . DC A 1 20 B -1.750 0.101 7.080 1.00 0.00 ? 7 DC A N4 5 +ATOM 2761 C C5 . DC A 1 20 B -3.692 1.454 7.147 1.00 0.00 ? 7 DC A C5 5 +ATOM 2762 C C6 . DC A 1 20 B -4.180 2.703 6.961 1.00 0.00 ? 7 DC A C6 5 +ATOM 2763 H "H5'" . DC A 1 20 B -6.694 6.458 8.716 1.00 0.00 ? 7 DC A "H5'" 5 +ATOM 2764 H "H5''" . DC A 1 20 B -7.539 7.157 7.322 1.00 0.00 ? 7 DC A "H5''" 5 +ATOM 2765 H "H4'" . DC A 1 20 B -5.164 7.531 7.138 1.00 0.00 ? 7 DC A "H4'" 5 +ATOM 2766 H "H3'" . DC A 1 20 B -6.675 6.361 5.038 1.00 0.00 ? 7 DC A "H3'" 5 +ATOM 2767 H "H2'" . DC A 1 20 B -5.705 4.233 5.388 1.00 0.00 ? 7 DC A "H2'" 5 +ATOM 2768 H "H2''" . DC A 1 20 B -4.554 4.863 4.190 1.00 0.00 ? 7 DC A "H2''" 5 +ATOM 2769 H "H1'" . DC A 1 20 B -3.128 5.800 5.972 1.00 0.00 ? 7 DC A "H1'" 5 +ATOM 2770 H H41 . DC A 1 20 B -0.760 0.085 6.889 1.00 0.00 ? 7 DC A H41 5 +ATOM 2771 H H42 . DC A 1 20 B -2.272 -0.685 7.412 1.00 0.00 ? 7 DC A H42 5 +ATOM 2772 H H5 . DC A 1 20 B -4.353 0.656 7.437 1.00 0.00 ? 7 DC A H5 5 +ATOM 2773 H H6 . DC A 1 20 B -5.234 2.895 7.115 1.00 0.00 ? 7 DC A H6 5 +ATOM 2774 P P . DC A 1 21 B -4.859 7.541 3.131 1.00 0.00 ? 8 DC A P 5 +ATOM 2775 O OP1 . DC A 1 21 B -5.163 8.950 2.805 1.00 0.00 ? 8 DC A OP1 5 +ATOM 2776 O OP2 . DC A 1 21 B -5.655 6.453 2.526 1.00 0.00 ? 8 DC A OP2 5 +ATOM 2777 O "O5'" . DC A 1 21 B -3.307 7.268 2.791 1.00 0.00 ? 8 DC A "O5'" 5 +ATOM 2778 C "C5'" . DC A 1 21 B -2.301 8.182 3.198 1.00 0.00 ? 8 DC A "C5'" 5 +ATOM 2779 C "C4'" . DC A 1 21 B -0.897 7.745 2.744 1.00 0.00 ? 8 DC A "C4'" 5 +ATOM 2780 O "O4'" . DC A 1 21 B -0.529 6.509 3.353 1.00 0.00 ? 8 DC A "O4'" 5 +ATOM 2781 C "C3'" . DC A 1 21 B -0.770 7.584 1.217 1.00 0.00 ? 8 DC A "C3'" 5 +ATOM 2782 O "O3'" . DC A 1 21 B 0.449 8.149 0.765 1.00 0.00 ? 8 DC A "O3'" 5 +ATOM 2783 C "C2'" . DC A 1 21 B -0.779 6.075 1.078 1.00 0.00 ? 8 DC A "C2'" 5 +ATOM 2784 C "C1'" . DC A 1 21 B -0.081 5.618 2.351 1.00 0.00 ? 8 DC A "C1'" 5 +ATOM 2785 N N1 . DC A 1 21 B -0.503 4.238 2.696 1.00 0.00 ? 8 DC A N1 5 +ATOM 2786 C C2 . DC A 1 21 B 0.423 3.203 2.610 1.00 0.00 ? 8 DC A C2 5 +ATOM 2787 O O2 . DC A 1 21 B 1.574 3.394 2.245 1.00 0.00 ? 8 DC A O2 5 +ATOM 2788 N N3 . DC A 1 21 B 0.067 1.934 2.933 1.00 0.00 ? 8 DC A N3 5 +ATOM 2789 C C4 . DC A 1 21 B -1.171 1.708 3.338 1.00 0.00 ? 8 DC A C4 5 +ATOM 2790 N N4 . DC A 1 21 B -1.453 0.479 3.657 1.00 0.00 ? 8 DC A N4 5 +ATOM 2791 C C5 . DC A 1 21 B -2.177 2.713 3.399 1.00 0.00 ? 8 DC A C5 5 +ATOM 2792 C C6 . DC A 1 21 B -1.797 3.971 3.073 1.00 0.00 ? 8 DC A C6 5 +ATOM 2793 H "H5'" . DC A 1 21 B -2.299 8.270 4.287 1.00 0.00 ? 8 DC A "H5'" 5 +ATOM 2794 H "H5''" . DC A 1 21 B -2.501 9.167 2.771 1.00 0.00 ? 8 DC A "H5''" 5 +ATOM 2795 H "H4'" . DC A 1 21 B -0.197 8.510 3.083 1.00 0.00 ? 8 DC A "H4'" 5 +ATOM 2796 H "H3'" . DC A 1 21 B -1.626 7.990 0.680 1.00 0.00 ? 8 DC A "H3'" 5 +ATOM 2797 H "H2'" . DC A 1 21 B -1.815 5.738 1.030 1.00 0.00 ? 8 DC A "H2'" 5 +ATOM 2798 H "H2''" . DC A 1 21 B -0.245 5.768 0.192 1.00 0.00 ? 8 DC A "H2''" 5 +ATOM 2799 H "H1'" . DC A 1 21 B 0.999 5.747 2.245 1.00 0.00 ? 8 DC A "H1'" 5 +ATOM 2800 H H41 . DC A 1 21 B -0.671 -0.151 3.577 1.00 0.00 ? 8 DC A H41 5 +ATOM 2801 H H42 . DC A 1 21 B -2.358 0.220 3.993 1.00 0.00 ? 8 DC A H42 5 +ATOM 2802 H H5 . DC A 1 21 B -3.188 2.510 3.712 1.00 0.00 ? 8 DC A H5 5 +ATOM 2803 H H6 . DC A 1 21 B -2.520 4.776 3.106 1.00 0.00 ? 8 DC A H6 5 +ATOM 2804 P P . DT A 1 22 B 0.764 8.353 -0.802 1.00 0.00 ? 9 DT A P 5 +ATOM 2805 O OP1 . DT A 1 22 B 1.785 9.415 -0.931 1.00 0.00 ? 9 DT A OP1 5 +ATOM 2806 O OP2 . DT A 1 22 B -0.519 8.477 -1.526 1.00 0.00 ? 9 DT A OP2 5 +ATOM 2807 O "O5'" . DT A 1 22 B 1.441 6.961 -1.233 1.00 0.00 ? 9 DT A "O5'" 5 +ATOM 2808 C "C5'" . DT A 1 22 B 2.789 6.665 -0.906 1.00 0.00 ? 9 DT A "C5'" 5 +ATOM 2809 C "C4'" . DT A 1 22 B 3.161 5.237 -1.335 1.00 0.00 ? 9 DT A "C4'" 5 +ATOM 2810 O "O4'" . DT A 1 22 B 2.425 4.266 -0.609 1.00 0.00 ? 9 DT A "O4'" 5 +ATOM 2811 C "C3'" . DT A 1 22 B 2.888 4.937 -2.819 1.00 0.00 ? 9 DT A "C3'" 5 +ATOM 2812 O "O3'" . DT A 1 22 B 4.081 4.974 -3.577 1.00 0.00 ? 9 DT A "O3'" 5 +ATOM 2813 C "C2'" . DT A 1 22 B 2.347 3.505 -2.809 1.00 0.00 ? 9 DT A "C2'" 5 +ATOM 2814 C "C1'" . DT A 1 22 B 2.507 3.073 -1.352 1.00 0.00 ? 9 DT A "C1'" 5 +ATOM 2815 N N1 . DT A 1 22 B 1.443 2.135 -0.922 1.00 0.00 ? 9 DT A N1 5 +ATOM 2816 C C2 . DT A 1 22 B 1.822 0.852 -0.544 1.00 0.00 ? 9 DT A C2 5 +ATOM 2817 O O2 . DT A 1 22 B 2.957 0.409 -0.644 1.00 0.00 ? 9 DT A O2 5 +ATOM 2818 N N3 . DT A 1 22 B 0.837 0.036 -0.061 1.00 0.00 ? 9 DT A N3 5 +ATOM 2819 C C4 . DT A 1 22 B -0.481 0.370 0.105 1.00 0.00 ? 9 DT A C4 5 +ATOM 2820 O O4 . DT A 1 22 B -1.223 -0.476 0.589 1.00 0.00 ? 9 DT A O4 5 +ATOM 2821 C C5 . DT A 1 22 B -0.842 1.711 -0.371 1.00 0.00 ? 9 DT A C5 5 +ATOM 2822 C C7 . DT A 1 22 B -2.281 2.226 -0.340 1.00 0.00 ? 9 DT A C7 5 +ATOM 2823 C C6 . DT A 1 22 B 0.121 2.531 -0.868 1.00 0.00 ? 9 DT A C6 5 +ATOM 2824 H "H5'" . DT A 1 22 B 2.947 6.756 0.171 1.00 0.00 ? 9 DT A "H5'" 5 +ATOM 2825 H "H5''" . DT A 1 22 B 3.453 7.363 -1.420 1.00 0.00 ? 9 DT A "H5''" 5 +ATOM 2826 H "H4'" . DT A 1 22 B 4.221 5.080 -1.122 1.00 0.00 ? 9 DT A "H4'" 5 +ATOM 2827 H "H3'" . DT A 1 22 B 2.155 5.618 -3.254 1.00 0.00 ? 9 DT A "H3'" 5 +ATOM 2828 H "H2'" . DT A 1 22 B 1.299 3.537 -3.107 1.00 0.00 ? 9 DT A "H2'" 5 +ATOM 2829 H "H2''" . DT A 1 22 B 2.886 2.836 -3.475 1.00 0.00 ? 9 DT A "H2''" 5 +ATOM 2830 H "H1'" . DT A 1 22 B 3.517 2.678 -1.215 1.00 0.00 ? 9 DT A "H1'" 5 +ATOM 2831 H H3 . DT A 1 22 B 1.108 -0.907 0.176 1.00 0.00 ? 9 DT A H3 5 +ATOM 2832 H H71 . DT A 1 22 B -2.645 2.380 -1.357 1.00 0.00 ? 9 DT A H71 5 +ATOM 2833 H H72 . DT A 1 22 B -2.942 1.519 0.158 1.00 0.00 ? 9 DT A H72 5 +ATOM 2834 H H73 . DT A 1 22 B -2.333 3.174 0.199 1.00 0.00 ? 9 DT A H73 5 +ATOM 2835 H H6 . DT A 1 22 B -0.153 3.505 -1.254 1.00 0.00 ? 9 DT A H6 5 +ATOM 2836 O "O5'" . DA A 1 5 ? 7.336 -10.309 1.224 1.00 0.00 ? 1 DA A "O5'" 6 +ATOM 2837 C "C5'" . DA A 1 5 ? 5.983 -9.965 1.475 1.00 0.00 ? 1 DA A "C5'" 6 +ATOM 2838 C "C4'" . DA A 1 5 ? 5.478 -8.904 0.483 1.00 0.00 ? 1 DA A "C4'" 6 +ATOM 2839 O "O4'" . DA A 1 5 ? 4.137 -8.508 0.748 1.00 0.00 ? 1 DA A "O4'" 6 +ATOM 2840 C "C3'" . DA A 1 5 ? 6.287 -7.613 0.599 1.00 0.00 ? 1 DA A "C3'" 6 +ATOM 2841 O "O3'" . DA A 1 5 ? 7.292 -7.550 -0.387 1.00 0.00 ? 1 DA A "O3'" 6 +ATOM 2842 C "C2'" . DA A 1 5 ? 5.273 -6.494 0.386 1.00 0.00 ? 1 DA A "C2'" 6 +ATOM 2843 C "C1'" . DA A 1 5 ? 3.952 -7.232 0.157 1.00 0.00 ? 1 DA A "C1'" 6 +ATOM 2844 N N9 . DA A 1 5 ? 2.780 -6.528 0.721 1.00 0.00 ? 1 DA A N9 6 +ATOM 2845 C C8 . DA A 1 5 ? 1.705 -7.040 1.410 1.00 0.00 ? 1 DA A C8 6 +ATOM 2846 N N7 . DA A 1 5 ? 0.768 -6.168 1.666 1.00 0.00 ? 1 DA A N7 6 +ATOM 2847 C C5 . DA A 1 5 ? 1.269 -4.983 1.110 1.00 0.00 ? 1 DA A C5 6 +ATOM 2848 C C6 . DA A 1 5 ? 0.807 -3.652 0.981 1.00 0.00 ? 1 DA A C6 6 +ATOM 2849 N N6 . DA A 1 5 ? -0.357 -3.213 1.420 1.00 0.00 ? 1 DA A N6 6 +ATOM 2850 N N1 . DA A 1 5 ? 1.522 -2.728 0.325 1.00 0.00 ? 1 DA A N1 6 +ATOM 2851 C C2 . DA A 1 5 ? 2.692 -3.092 -0.186 1.00 0.00 ? 1 DA A C2 6 +ATOM 2852 N N3 . DA A 1 5 ? 3.249 -4.296 -0.148 1.00 0.00 ? 1 DA A N3 6 +ATOM 2853 C C4 . DA A 1 5 ? 2.490 -5.201 0.529 1.00 0.00 ? 1 DA A C4 6 +ATOM 2854 H "H5'" . DA A 1 5 ? 5.892 -9.597 2.499 1.00 0.00 ? 1 DA A "H5'" 6 +ATOM 2855 H "H5''" . DA A 1 5 ? 5.374 -10.865 1.377 1.00 0.00 ? 1 DA A "H5''" 6 +ATOM 2856 H "H4'" . DA A 1 5 ? 5.554 -9.309 -0.530 1.00 0.00 ? 1 DA A "H4'" 6 +ATOM 2857 H "H3'" . DA A 1 5 ? 6.666 -7.555 1.621 1.00 0.00 ? 1 DA A "H3'" 6 +ATOM 2858 H "H2'" . DA A 1 5 ? 5.250 -5.866 1.277 1.00 0.00 ? 1 DA A "H2'" 6 +ATOM 2859 H "H2''" . DA A 1 5 ? 5.522 -5.871 -0.474 1.00 0.00 ? 1 DA A "H2''" 6 +ATOM 2860 H "H1'" . DA A 1 5 ? 3.787 -7.353 -0.916 1.00 0.00 ? 1 DA A "H1'" 6 +ATOM 2861 H H8 . DA A 1 5 ? 1.616 -8.080 1.697 1.00 0.00 ? 1 DA A H8 6 +ATOM 2862 H H61 . DA A 1 5 ? -0.552 -2.228 1.291 1.00 0.00 ? 1 DA A H61 6 +ATOM 2863 H H62 . DA A 1 5 ? -0.932 -3.817 1.979 1.00 0.00 ? 1 DA A H62 6 +ATOM 2864 H H2 . DA A 1 5 ? 3.245 -2.330 -0.711 1.00 0.00 ? 1 DA A H2 6 +ATOM 2865 H "HO5'" . DA A 1 5 ? 7.911 -9.524 1.303 1.00 0.00 ? 1 DA A "HO5'" 6 +ATOM 2866 P P . DG A 1 6 ? 8.812 -7.335 0.045 1.00 0.00 ? 2 DG A P 6 +ATOM 2867 O OP1 . DG A 1 6 ? 9.659 -7.461 -1.158 1.00 0.00 ? 2 DG A OP1 6 +ATOM 2868 O OP2 . DG A 1 6 ? 9.023 -8.228 1.209 1.00 0.00 ? 2 DG A OP2 6 +ATOM 2869 O "O5'" . DG A 1 6 ? 8.790 -5.793 0.520 1.00 0.00 ? 2 DG A "O5'" 6 +ATOM 2870 C "C5'" . DG A 1 6 ? 8.744 -5.402 1.886 1.00 0.00 ? 2 DG A "C5'" 6 +ATOM 2871 C "C4'" . DG A 1 6 ? 8.393 -3.904 1.990 1.00 0.00 ? 2 DG A "C4'" 6 +ATOM 2872 O "O4'" . DG A 1 6 ? 6.996 -3.680 1.778 1.00 0.00 ? 2 DG A "O4'" 6 +ATOM 2873 C "C3'" . DG A 1 6 ? 8.727 -3.292 3.369 1.00 0.00 ? 2 DG A "C3'" 6 +ATOM 2874 O "O3'" . DG A 1 6 ? 9.442 -2.084 3.187 1.00 0.00 ? 2 DG A "O3'" 6 +ATOM 2875 C "C2'" . DG A 1 6 ? 7.337 -3.023 3.936 1.00 0.00 ? 2 DG A "C2'" 6 +ATOM 2876 C "C1'" . DG A 1 6 ? 6.590 -2.654 2.663 1.00 0.00 ? 2 DG A "C1'" 6 +ATOM 2877 N N9 . DG A 1 6 ? 5.125 -2.651 2.863 1.00 0.00 ? 2 DG A N9 6 +ATOM 2878 C C8 . DG A 1 6 ? 4.302 -3.681 3.242 1.00 0.00 ? 2 DG A C8 6 +ATOM 2879 N N7 . DG A 1 6 ? 3.045 -3.358 3.355 1.00 0.00 ? 2 DG A N7 6 +ATOM 2880 C C5 . DG A 1 6 ? 3.036 -1.992 3.058 1.00 0.00 ? 2 DG A C5 6 +ATOM 2881 C C6 . DG A 1 6 ? 1.980 -1.020 3.044 1.00 0.00 ? 2 DG A C6 6 +ATOM 2882 O O6 . DG A 1 6 ? 0.789 -1.184 3.271 1.00 0.00 ? 2 DG A O6 6 +ATOM 2883 N N1 . DG A 1 6 ? 2.384 0.260 2.720 1.00 0.00 ? 2 DG A N1 6 +ATOM 2884 C C2 . DG A 1 6 ? 3.665 0.570 2.406 1.00 0.00 ? 2 DG A C2 6 +ATOM 2885 N N2 . DG A 1 6 ? 3.932 1.829 2.199 1.00 0.00 ? 2 DG A N2 6 +ATOM 2886 N N3 . DG A 1 6 ? 4.676 -0.294 2.412 1.00 0.00 ? 2 DG A N3 6 +ATOM 2887 C C4 . DG A 1 6 ? 4.302 -1.560 2.746 1.00 0.00 ? 2 DG A C4 6 +ATOM 2888 H "H5'" . DG A 1 6 ? 9.733 -5.575 2.315 1.00 0.00 ? 2 DG A "H5'" 6 +ATOM 2889 H "H5''" . DG A 1 6 ? 8.012 -5.971 2.459 1.00 0.00 ? 2 DG A "H5''" 6 +ATOM 2890 H "H4'" . DG A 1 6 ? 8.956 -3.372 1.219 1.00 0.00 ? 2 DG A "H4'" 6 +ATOM 2891 H "H3'" . DG A 1 6 ? 9.290 -3.986 3.998 1.00 0.00 ? 2 DG A "H3'" 6 +ATOM 2892 H "H2'" . DG A 1 6 ? 6.948 -3.942 4.375 1.00 0.00 ? 2 DG A "H2'" 6 +ATOM 2893 H "H2''" . DG A 1 6 ? 7.316 -2.226 4.678 1.00 0.00 ? 2 DG A "H2''" 6 +ATOM 2894 H "H1'" . DG A 1 6 ? 6.937 -1.689 2.286 1.00 0.00 ? 2 DG A "H1'" 6 +ATOM 2895 H H8 . DG A 1 6 ? 4.647 -4.681 3.443 1.00 0.00 ? 2 DG A H8 6 +ATOM 2896 H H1 . DG A 1 6 ? 1.659 0.968 2.734 1.00 0.00 ? 2 DG A H1 6 +ATOM 2897 H H21 . DG A 1 6 ? 3.205 2.527 2.260 1.00 0.00 ? 2 DG A H21 6 +ATOM 2898 H H22 . DG A 1 6 ? 4.909 2.043 2.104 1.00 0.00 ? 2 DG A H22 6 +ATOM 2899 P P . DG A 1 7 ? 9.985 -1.214 4.425 1.00 0.00 ? 3 DG A P 6 +ATOM 2900 O OP1 . DG A 1 7 ? 11.356 -0.772 4.095 1.00 0.00 ? 3 DG A OP1 6 +ATOM 2901 O OP2 . DG A 1 7 ? 9.733 -1.971 5.670 1.00 0.00 ? 3 DG A OP2 6 +ATOM 2902 O "O5'" . DG A 1 7 ? 9.014 0.075 4.401 1.00 0.00 ? 3 DG A "O5'" 6 +ATOM 2903 C "C5'" . DG A 1 7 ? 9.047 0.985 3.312 1.00 0.00 ? 3 DG A "C5'" 6 +ATOM 2904 C "C4'" . DG A 1 7 ? 8.192 2.245 3.540 1.00 0.00 ? 3 DG A "C4'" 6 +ATOM 2905 O "O4'" . DG A 1 7 ? 6.801 1.935 3.592 1.00 0.00 ? 3 DG A "O4'" 6 +ATOM 2906 C "C3'" . DG A 1 7 ? 8.548 2.996 4.836 1.00 0.00 ? 3 DG A "C3'" 6 +ATOM 2907 O "O3'" . DG A 1 7 ? 8.479 4.390 4.592 1.00 0.00 ? 3 DG A "O3'" 6 +ATOM 2908 C "C2'" . DG A 1 7 ? 7.428 2.546 5.769 1.00 0.00 ? 3 DG A "C2'" 6 +ATOM 2909 C "C1'" . DG A 1 7 ? 6.258 2.462 4.792 1.00 0.00 ? 3 DG A "C1'" 6 +ATOM 2910 N N9 . DG A 1 7 ? 5.178 1.574 5.269 1.00 0.00 ? 3 DG A N9 6 +ATOM 2911 C C8 . DG A 1 7 ? 5.207 0.221 5.495 1.00 0.00 ? 3 DG A C8 6 +ATOM 2912 N N7 . DG A 1 7 ? 4.051 -0.294 5.816 1.00 0.00 ? 3 DG A N7 6 +ATOM 2913 C C5 . DG A 1 7 ? 3.186 0.806 5.807 1.00 0.00 ? 3 DG A C5 6 +ATOM 2914 C C6 . DG A 1 7 ? 1.777 0.932 6.058 1.00 0.00 ? 3 DG A C6 6 +ATOM 2915 O O6 . DG A 1 7 ? 0.972 0.063 6.364 1.00 0.00 ? 3 DG A O6 6 +ATOM 2916 N N1 . DG A 1 7 ? 1.290 2.221 5.946 1.00 0.00 ? 3 DG A N1 6 +ATOM 2917 C C2 . DG A 1 7 ? 2.059 3.266 5.560 1.00 0.00 ? 3 DG A C2 6 +ATOM 2918 N N2 . DG A 1 7 ? 1.494 4.437 5.495 1.00 0.00 ? 3 DG A N2 6 +ATOM 2919 N N3 . DG A 1 7 ? 3.360 3.195 5.315 1.00 0.00 ? 3 DG A N3 6 +ATOM 2920 C C4 . DG A 1 7 ? 3.873 1.944 5.461 1.00 0.00 ? 3 DG A C4 6 +ATOM 2921 H "H5'" . DG A 1 7 ? 8.698 0.485 2.405 1.00 0.00 ? 3 DG A "H5'" 6 +ATOM 2922 H "H5''" . DG A 1 7 ? 10.074 1.319 3.145 1.00 0.00 ? 3 DG A "H5''" 6 +ATOM 2923 H "H4'" . DG A 1 7 ? 8.382 2.889 2.676 1.00 0.00 ? 3 DG A "H4'" 6 +ATOM 2924 H "H3'" . DG A 1 7 ? 9.535 2.702 5.201 1.00 0.00 ? 3 DG A "H3'" 6 +ATOM 2925 H "H2'" . DG A 1 7 ? 7.680 1.571 6.184 1.00 0.00 ? 3 DG A "H2'" 6 +ATOM 2926 H "H2''" . DG A 1 7 ? 7.238 3.244 6.581 1.00 0.00 ? 3 DG A "H2''" 6 +ATOM 2927 H "H1'" . DG A 1 7 ? 5.874 3.470 4.609 1.00 0.00 ? 3 DG A "H1'" 6 +ATOM 2928 H H8 . DG A 1 7 ? 6.098 -0.380 5.392 1.00 0.00 ? 3 DG A H8 6 +ATOM 2929 H H1 . DG A 1 7 ? 0.301 2.348 6.134 1.00 0.00 ? 3 DG A H1 6 +ATOM 2930 H H21 . DG A 1 7 ? 0.535 4.565 5.775 1.00 0.00 ? 3 DG A H21 6 +ATOM 2931 H H22 . DG A 1 7 ? 2.112 5.195 5.271 1.00 0.00 ? 3 DG A H22 6 +ATOM 2932 P P . DA A 1 8 ? 8.967 5.468 5.681 1.00 0.00 ? 4 DA A P 6 +ATOM 2933 O OP1 . DA A 1 8 ? 9.309 6.713 4.959 1.00 0.00 ? 4 DA A OP1 6 +ATOM 2934 O OP2 . DA A 1 8 ? 9.974 4.822 6.548 1.00 0.00 ? 4 DA A OP2 6 +ATOM 2935 O "O5'" . DA A 1 8 ? 7.642 5.740 6.555 1.00 0.00 ? 4 DA A "O5'" 6 +ATOM 2936 C "C5'" . DA A 1 8 ? 6.643 6.649 6.121 1.00 0.00 ? 4 DA A "C5'" 6 +ATOM 2937 C "C4'" . DA A 1 8 ? 5.452 6.693 7.094 1.00 0.00 ? 4 DA A "C4'" 6 +ATOM 2938 O "O4'" . DA A 1 8 ? 4.716 5.478 7.081 1.00 0.00 ? 4 DA A "O4'" 6 +ATOM 2939 C "C3'" . DA A 1 8 ? 5.858 6.953 8.561 1.00 0.00 ? 4 DA A "C3'" 6 +ATOM 2940 O "O3'" . DA A 1 8 ? 5.530 8.292 8.890 1.00 0.00 ? 4 DA A "O3'" 6 +ATOM 2941 C "C2'" . DA A 1 8 ? 4.994 5.943 9.321 1.00 0.00 ? 4 DA A "C2'" 6 +ATOM 2942 C "C1'" . DA A 1 8 ? 3.994 5.441 8.289 1.00 0.00 ? 4 DA A "C1'" 6 +ATOM 2943 N N9 . DA A 1 8 ? 3.551 4.073 8.593 1.00 0.00 ? 4 DA A N9 6 +ATOM 2944 C C8 . DA A 1 8 ? 4.326 2.952 8.707 1.00 0.00 ? 4 DA A C8 6 +ATOM 2945 N N7 . DA A 1 8 ? 3.660 1.862 8.973 1.00 0.00 ? 4 DA A N7 6 +ATOM 2946 C C5 . DA A 1 8 ? 2.337 2.314 9.054 1.00 0.00 ? 4 DA A C5 6 +ATOM 2947 C C6 . DA A 1 8 ? 1.088 1.709 9.319 1.00 0.00 ? 4 DA A C6 6 +ATOM 2948 N N6 . DA A 1 8 ? 0.932 0.427 9.567 1.00 0.00 ? 4 DA A N6 6 +ATOM 2949 N N1 . DA A 1 8 ? -0.038 2.431 9.373 1.00 0.00 ? 4 DA A N1 6 +ATOM 2950 C C2 . DA A 1 8 ? 0.049 3.735 9.137 1.00 0.00 ? 4 DA A C2 6 +ATOM 2951 N N3 . DA A 1 8 ? 1.146 4.436 8.868 1.00 0.00 ? 4 DA A N3 6 +ATOM 2952 C C4 . DA A 1 8 ? 2.266 3.663 8.840 1.00 0.00 ? 4 DA A C4 6 +ATOM 2953 H "H5'" . DA A 1 8 ? 6.277 6.365 5.132 1.00 0.00 ? 4 DA A "H5'" 6 +ATOM 2954 H "H5''" . DA A 1 8 ? 7.068 7.653 6.061 1.00 0.00 ? 4 DA A "H5''" 6 +ATOM 2955 H "H4'" . DA A 1 8 ? 4.774 7.481 6.755 1.00 0.00 ? 4 DA A "H4'" 6 +ATOM 2956 H "H3'" . DA A 1 8 ? 6.916 6.753 8.739 1.00 0.00 ? 4 DA A "H3'" 6 +ATOM 2957 H "H2'" . DA A 1 8 ? 5.656 5.140 9.646 1.00 0.00 ? 4 DA A "H2'" 6 +ATOM 2958 H "H2''" . DA A 1 8 ? 4.479 6.328 10.185 1.00 0.00 ? 4 DA A "H2''" 6 +ATOM 2959 H "H1'" . DA A 1 8 ? 3.149 6.132 8.233 1.00 0.00 ? 4 DA A "H1'" 6 +ATOM 2960 H H8 . DA A 1 8 ? 5.400 2.996 8.599 1.00 0.00 ? 4 DA A H8 6 +ATOM 2961 H H61 . DA A 1 8 ? -0.001 0.107 9.773 1.00 0.00 ? 4 DA A H61 6 +ATOM 2962 H H62 . DA A 1 8 ? 1.732 -0.181 9.556 1.00 0.00 ? 4 DA A H62 6 +ATOM 2963 H H2 . DA A 1 8 ? -0.873 4.293 9.182 1.00 0.00 ? 4 DA A H2 6 +ATOM 2964 P P . DT A 1 9 ? 5.826 8.928 10.339 1.00 0.00 ? 5 DT A P 6 +ATOM 2965 O OP1 . DT A 1 9 ? 5.845 10.399 10.197 1.00 0.00 ? 5 DT A OP1 6 +ATOM 2966 O OP2 . DT A 1 9 ? 6.984 8.226 10.933 1.00 0.00 ? 5 DT A OP2 6 +ATOM 2967 O "O5'" . DT A 1 9 ? 4.512 8.530 11.177 1.00 0.00 ? 5 DT A "O5'" 6 +ATOM 2968 C "C5'" . DT A 1 9 ? 3.229 9.001 10.799 1.00 0.00 ? 5 DT A "C5'" 6 +ATOM 2969 C "C4'" . DT A 1 9 ? 2.133 8.259 11.576 1.00 0.00 ? 5 DT A "C4'" 6 +ATOM 2970 O "O4'" . DT A 1 9 ? 2.104 6.869 11.288 1.00 0.00 ? 5 DT A "O4'" 6 +ATOM 2971 C "C3'" . DT A 1 9 ? 2.176 8.438 13.104 1.00 0.00 ? 5 DT A "C3'" 6 +ATOM 2972 O "O3'" . DT A 1 9 ? 0.983 9.060 13.546 1.00 0.00 ? 5 DT A "O3'" 6 +ATOM 2973 C "C2'" . DT A 1 9 ? 2.239 6.980 13.539 1.00 0.00 ? 5 DT A "C2'" 6 +ATOM 2974 C "C1'" . DT A 1 9 ? 1.475 6.290 12.401 1.00 0.00 ? 5 DT A "C1'" 6 +ATOM 2975 N N1 . DT A 1 9 ? 1.672 4.819 12.372 1.00 0.00 ? 5 DT A N1 6 +ATOM 2976 C C2 . DT A 1 9 ? 0.541 4.008 12.431 1.00 0.00 ? 5 DT A C2 6 +ATOM 2977 O O2 . DT A 1 9 ? -0.607 4.423 12.453 1.00 0.00 ? 5 DT A O2 6 +ATOM 2978 N N3 . DT A 1 9 ? 0.755 2.657 12.499 1.00 0.00 ? 5 DT A N3 6 +ATOM 2979 C C4 . DT A 1 9 ? 1.976 2.034 12.487 1.00 0.00 ? 5 DT A C4 6 +ATOM 2980 O O4 . DT A 1 9 ? 2.005 0.817 12.599 1.00 0.00 ? 5 DT A O4 6 +ATOM 2981 C C5 . DT A 1 9 ? 3.128 2.924 12.346 1.00 0.00 ? 5 DT A C5 6 +ATOM 2982 C C7 . DT A 1 9 ? 4.552 2.371 12.269 1.00 0.00 ? 5 DT A C7 6 +ATOM 2983 C C6 . DT A 1 9 ? 2.937 4.269 12.299 1.00 0.00 ? 5 DT A C6 6 +ATOM 2984 H "H5'" . DT A 1 9 ? 3.054 8.831 9.734 1.00 0.00 ? 5 DT A "H5'" 6 +ATOM 2985 H "H5''" . DT A 1 9 ? 3.153 10.071 11.000 1.00 0.00 ? 5 DT A "H5''" 6 +ATOM 2986 H "H4'" . DT A 1 9 ? 1.152 8.592 11.259 1.00 0.00 ? 5 DT A "H4'" 6 +ATOM 2987 H "H3'" . DT A 1 9 ? 3.064 8.992 13.422 1.00 0.00 ? 5 DT A "H3'" 6 +ATOM 2988 H "H2'" . DT A 1 9 ? 3.290 6.701 13.575 1.00 0.00 ? 5 DT A "H2'" 6 +ATOM 2989 H "H2''" . DT A 1 9 ? 1.814 6.830 14.523 1.00 0.00 ? 5 DT A "H2''" 6 +ATOM 2990 H "H1'" . DT A 1 9 ? 0.422 6.605 12.369 1.00 0.00 ? 5 DT A "H1'" 6 +ATOM 2991 H H3 . DT A 1 9 ? -0.068 2.084 12.641 1.00 0.00 ? 5 DT A H3 6 +ATOM 2992 H H71 . DT A 1 9 ? 4.553 1.399 11.769 1.00 0.00 ? 5 DT A H71 6 +ATOM 2993 H H72 . DT A 1 9 ? 5.210 3.035 11.705 1.00 0.00 ? 5 DT A H72 6 +ATOM 2994 H H73 . DT A 1 9 ? 4.956 2.247 13.275 1.00 0.00 ? 5 DT A H73 6 +ATOM 2995 H H6 . DT A 1 9 ? 3.794 4.918 12.211 1.00 0.00 ? 5 DT A H6 6 +ATOM 2996 P P . DC A 1 10 ? 0.755 9.499 15.075 1.00 0.00 ? 6 DC A P 6 +ATOM 2997 O OP1 . DC A 1 10 ? 0.407 10.935 15.094 1.00 0.00 ? 6 DC A OP1 6 +ATOM 2998 O OP2 . DC A 1 10 ? 1.882 8.996 15.887 1.00 0.00 ? 6 DC A OP2 6 +ATOM 2999 O "O5'" . DC A 1 10 ? -0.557 8.653 15.463 1.00 0.00 ? 6 DC A "O5'" 6 +ATOM 3000 C "C5'" . DC A 1 10 ? -1.818 8.933 14.874 1.00 0.00 ? 6 DC A "C5'" 6 +ATOM 3001 C "C4'" . DC A 1 10 ? -2.914 7.973 15.376 1.00 0.00 ? 6 DC A "C4'" 6 +ATOM 3002 O "O4'" . DC A 1 10 ? -2.630 6.639 14.967 1.00 0.00 ? 6 DC A "O4'" 6 +ATOM 3003 C "C3'" . DC A 1 10 ? -3.055 7.975 16.908 1.00 0.00 ? 6 DC A "C3'" 6 +ATOM 3004 O "O3'" . DC A 1 10 ? -4.415 7.813 17.270 1.00 0.00 ? 6 DC A "O3'" 6 +ATOM 3005 C "C2'" . DC A 1 10 ? -2.249 6.739 17.281 1.00 0.00 ? 6 DC A "C2'" 6 +ATOM 3006 C "C1'" . DC A 1 10 ? -2.574 5.811 16.112 1.00 0.00 ? 6 DC A "C1'" 6 +ATOM 3007 N N1 . DC A 1 10 ? -1.508 4.794 15.938 1.00 0.00 ? 6 DC A N1 6 +ATOM 3008 C C2 . DC A 1 10 ? -1.776 3.473 16.275 1.00 0.00 ? 6 DC A C2 6 +ATOM 3009 O O2 . DC A 1 10 ? -2.892 3.121 16.625 1.00 0.00 ? 6 DC A O2 6 +ATOM 3010 N N3 . DC A 1 10 ? -0.794 2.537 16.236 1.00 0.00 ? 6 DC A N3 6 +ATOM 3011 C C4 . DC A 1 10 ? 0.414 2.908 15.849 1.00 0.00 ? 6 DC A C4 6 +ATOM 3012 N N4 . DC A 1 10 ? 1.315 1.967 15.857 1.00 0.00 ? 6 DC A N4 6 +ATOM 3013 C C5 . DC A 1 10 ? 0.749 4.242 15.471 1.00 0.00 ? 6 DC A C5 6 +ATOM 3014 C C6 . DC A 1 10 ? -0.251 5.152 15.522 1.00 0.00 ? 6 DC A C6 6 +ATOM 3015 H "H5'" . DC A 1 10 ? -1.753 8.843 13.788 1.00 0.00 ? 6 DC A "H5'" 6 +ATOM 3016 H "H5''" . DC A 1 10 ? -2.118 9.954 15.119 1.00 0.00 ? 6 DC A "H5''" 6 +ATOM 3017 H "H4'" . DC A 1 10 ? -3.856 8.285 14.921 1.00 0.00 ? 6 DC A "H4'" 6 +ATOM 3018 H "H3'" . DC A 1 10 ? -2.636 8.889 17.335 1.00 0.00 ? 6 DC A "H3'" 6 +ATOM 3019 H "H2'" . DC A 1 10 ? -1.192 7.004 17.306 1.00 0.00 ? 6 DC A "H2'" 6 +ATOM 3020 H "H2''" . DC A 1 10 ? -2.541 6.325 18.243 1.00 0.00 ? 6 DC A "H2''" 6 +ATOM 3021 H "H1'" . DC A 1 10 ? -3.570 5.389 16.259 1.00 0.00 ? 6 DC A "H1'" 6 +ATOM 3022 H H41 . DC A 1 10 ? 0.957 1.068 16.148 1.00 0.00 ? 6 DC A H41 6 +ATOM 3023 H H42 . DC A 1 10 ? 2.265 2.143 15.597 1.00 0.00 ? 6 DC A H42 6 +ATOM 3024 H H5 . DC A 1 10 ? 1.729 4.560 15.140 1.00 0.00 ? 6 DC A H5 6 +ATOM 3025 H H6 . DC A 1 10 ? -0.062 6.172 15.223 1.00 0.00 ? 6 DC A H6 6 +ATOM 3026 P P . DC A 1 11 ? -4.905 7.960 18.795 1.00 0.00 ? 7 DC A P 6 +ATOM 3027 O OP1 . DC A 1 11 ? -6.282 8.500 18.774 1.00 0.00 ? 7 DC A OP1 6 +ATOM 3028 O OP2 . DC A 1 11 ? -3.852 8.673 19.548 1.00 0.00 ? 7 DC A OP2 6 +ATOM 3029 O "O5'" . DC A 1 11 ? -4.965 6.443 19.342 1.00 0.00 ? 7 DC A "O5'" 6 +ATOM 3030 C "C5'" . DC A 1 11 ? -6.111 5.627 19.144 1.00 0.00 ? 7 DC A "C5'" 6 +ATOM 3031 C "C4'" . DC A 1 11 ? -6.006 4.295 19.910 1.00 0.00 ? 7 DC A "C4'" 6 +ATOM 3032 O "O4'" . DC A 1 11 ? -5.043 3.431 19.303 1.00 0.00 ? 7 DC A "O4'" 6 +ATOM 3033 C "C3'" . DC A 1 11 ? -5.610 4.488 21.394 1.00 0.00 ? 7 DC A "C3'" 6 +ATOM 3034 O "O3'" . DC A 1 11 ? -6.413 3.709 22.252 1.00 0.00 ? 7 DC A "O3'" 6 +ATOM 3035 C "C2'" . DC A 1 11 ? -4.188 3.950 21.362 1.00 0.00 ? 7 DC A "C2'" 6 +ATOM 3036 C "C1'" . DC A 1 11 ? -4.313 2.824 20.344 1.00 0.00 ? 7 DC A "C1'" 6 +ATOM 3037 N N1 . DC A 1 11 ? -2.968 2.401 19.902 1.00 0.00 ? 7 DC A N1 6 +ATOM 3038 C C2 . DC A 1 11 ? -2.516 1.114 20.202 1.00 0.00 ? 7 DC A C2 6 +ATOM 3039 O O2 . DC A 1 11 ? -3.277 0.243 20.602 1.00 0.00 ? 7 DC A O2 6 +ATOM 3040 N N3 . DC A 1 11 ? -1.199 0.797 20.064 1.00 0.00 ? 7 DC A N3 6 +ATOM 3041 C C4 . DC A 1 11 ? -0.358 1.756 19.708 1.00 0.00 ? 7 DC A C4 6 +ATOM 3042 N N4 . DC A 1 11 ? 0.893 1.430 19.570 1.00 0.00 ? 7 DC A N4 6 +ATOM 3043 C C5 . DC A 1 11 ? -0.759 3.100 19.490 1.00 0.00 ? 7 DC A C5 6 +ATOM 3044 C C6 . DC A 1 11 ? -2.071 3.367 19.546 1.00 0.00 ? 7 DC A C6 6 +ATOM 3045 H "H5'" . DC A 1 11 ? -6.251 5.426 18.079 1.00 0.00 ? 7 DC A "H5'" 6 +ATOM 3046 H "H5''" . DC A 1 11 ? -6.997 6.143 19.519 1.00 0.00 ? 7 DC A "H5''" 6 +ATOM 3047 H "H4'" . DC A 1 11 ? -6.979 3.802 19.859 1.00 0.00 ? 7 DC A "H4'" 6 +ATOM 3048 H "H3'" . DC A 1 11 ? -5.648 5.543 21.682 1.00 0.00 ? 7 DC A "H3'" 6 +ATOM 3049 H "H2'" . DC A 1 11 ? -3.589 4.777 21.020 1.00 0.00 ? 7 DC A "H2'" 6 +ATOM 3050 H "H2''" . DC A 1 11 ? -3.726 3.607 22.277 1.00 0.00 ? 7 DC A "H2''" 6 +ATOM 3051 H "H1'" . DC A 1 11 ? -4.910 2.023 20.774 1.00 0.00 ? 7 DC A "H1'" 6 +ATOM 3052 H H41 . DC A 1 11 ? 1.109 0.466 19.759 1.00 0.00 ? 7 DC A H41 6 +ATOM 3053 H H42 . DC A 1 11 ? 1.570 2.110 19.286 1.00 0.00 ? 7 DC A H42 6 +ATOM 3054 H H5 . DC A 1 11 ? -0.108 3.940 19.416 1.00 0.00 ? 7 DC A H5 6 +ATOM 3055 H H6 . DC A 1 11 ? -2.391 4.383 19.375 1.00 0.00 ? 7 DC A H6 6 +ATOM 3056 P P . DT A 1 12 ? -6.316 3.868 23.848 1.00 0.00 ? 8 DT A P 6 +ATOM 3057 O OP1 . DT A 1 12 ? -7.661 4.199 24.363 1.00 0.00 ? 8 DT A OP1 6 +ATOM 3058 O OP2 . DT A 1 12 ? -5.157 4.724 24.180 1.00 0.00 ? 8 DT A OP2 6 +ATOM 3059 O "O5'" . DT A 1 12 ? -5.949 2.379 24.305 1.00 0.00 ? 8 DT A "O5'" 6 +ATOM 3060 C "C5'" . DT A 1 12 ? -6.856 1.307 24.137 1.00 0.00 ? 8 DT A "C5'" 6 +ATOM 3061 C "C4'" . DT A 1 12 ? -6.276 0.002 24.706 1.00 0.00 ? 8 DT A "C4'" 6 +ATOM 3062 O "O4'" . DT A 1 12 ? -5.106 -0.389 23.999 1.00 0.00 ? 8 DT A "O4'" 6 +ATOM 3063 C "C3'" . DT A 1 12 ? -5.868 0.113 26.183 1.00 0.00 ? 8 DT A "C3'" 6 +ATOM 3064 O "O3'" . DT A 1 12 ? -6.039 -1.189 26.733 1.00 0.00 ? 8 DT A "O3'" 6 +ATOM 3065 C "C2'" . DT A 1 12 ? -4.401 0.486 26.049 1.00 0.00 ? 8 DT A "C2'" 6 +ATOM 3066 C "C1'" . DT A 1 12 ? -4.014 -0.416 24.901 1.00 0.00 ? 8 DT A "C1'" 6 +ATOM 3067 N N1 . DT A 1 12 ? -2.809 0.025 24.171 1.00 0.00 ? 8 DT A N1 6 +ATOM 3068 C C2 . DT A 1 12 ? -1.844 -0.946 23.934 1.00 0.00 ? 8 DT A C2 6 +ATOM 3069 O O2 . DT A 1 12 ? -1.973 -2.130 24.211 1.00 0.00 ? 8 DT A O2 6 +ATOM 3070 N N3 . DT A 1 12 ? -0.684 -0.528 23.346 1.00 0.00 ? 8 DT A N3 6 +ATOM 3071 C C4 . DT A 1 12 ? -0.348 0.770 23.070 1.00 0.00 ? 8 DT A C4 6 +ATOM 3072 O O4 . DT A 1 12 ? 0.784 0.992 22.661 1.00 0.00 ? 8 DT A O4 6 +ATOM 3073 C C5 . DT A 1 12 ? -1.406 1.754 23.315 1.00 0.00 ? 8 DT A C5 6 +ATOM 3074 C C7 . DT A 1 12 ? -1.144 3.246 23.112 1.00 0.00 ? 8 DT A C7 6 +ATOM 3075 C C6 . DT A 1 12 ? -2.599 1.350 23.838 1.00 0.00 ? 8 DT A C6 6 +ATOM 3076 H "H5'" . DT A 1 12 ? -7.074 1.161 23.077 1.00 0.00 ? 8 DT A "H5'" 6 +ATOM 3077 H "H5''" . DT A 1 12 ? -7.791 1.523 24.660 1.00 0.00 ? 8 DT A "H5''" 6 +ATOM 3078 H "H4'" . DT A 1 12 ? -7.039 -0.769 24.580 1.00 0.00 ? 8 DT A "H4'" 6 +ATOM 3079 H "H3'" . DT A 1 12 ? -6.404 0.910 26.692 1.00 0.00 ? 8 DT A "H3'" 6 +ATOM 3080 H "H2'" . DT A 1 12 ? -4.254 1.535 25.845 1.00 0.00 ? 8 DT A "H2'" 6 +ATOM 3081 H "H2''" . DT A 1 12 ? -3.834 0.246 26.921 1.00 0.00 ? 8 DT A "H2''" 6 +ATOM 3082 H "H1'" . DT A 1 12 ? -3.895 -1.351 25.449 1.00 0.00 ? 8 DT A "H1'" 6 +ATOM 3083 H H3 . DT A 1 12 ? -0.004 -1.244 23.147 1.00 0.00 ? 8 DT A H3 6 +ATOM 3084 H H71 . DT A 1 12 ? -1.640 3.840 23.883 1.00 0.00 ? 8 DT A H71 6 +ATOM 3085 H H72 . DT A 1 12 ? -0.074 3.440 23.168 1.00 0.00 ? 8 DT A H72 6 +ATOM 3086 H H73 . DT A 1 12 ? -1.489 3.576 22.138 1.00 0.00 ? 8 DT A H73 6 +ATOM 3087 H H6 . DT A 1 12 ? -3.391 2.072 24.024 1.00 0.00 ? 8 DT A H6 6 +ATOM 3088 P P . DT A 1 13 ? -5.820 -1.549 28.281 1.00 0.00 ? 9 DT A P 6 +ATOM 3089 O OP1 . DT A 1 13 ? -6.227 -2.957 28.472 1.00 0.00 ? 9 DT A OP1 6 +ATOM 3090 O OP2 . DT A 1 13 ? -6.478 -0.492 29.072 1.00 0.00 ? 9 DT A OP2 6 +ATOM 3091 O "O5'" . DT A 1 13 ? -4.216 -1.468 28.493 1.00 0.00 ? 9 DT A "O5'" 6 +ATOM 3092 C "C5'" . DT A 1 13 ? -3.356 -2.498 28.013 1.00 0.00 ? 9 DT A "C5'" 6 +ATOM 3093 C "C4'" . DT A 1 13 ? -1.865 -2.097 28.008 1.00 0.00 ? 9 DT A "C4'" 6 +ATOM 3094 O "O4'" . DT A 1 13 ? -1.584 -0.922 27.231 1.00 0.00 ? 9 DT A "O4'" 6 +ATOM 3095 C "C3'" . DT A 1 13 ? -1.320 -1.900 29.428 1.00 0.00 ? 9 DT A "C3'" 6 +ATOM 3096 O "O3'" . DT A 1 13 ? -0.662 -3.046 29.921 1.00 0.00 ? 9 DT A "O3'" 6 +ATOM 3097 C "C2'" . DT A 1 13 ? -0.302 -0.787 29.199 1.00 0.00 ? 9 DT A "C2'" 6 +ATOM 3098 C "C1'" . DT A 1 13 ? -0.786 -0.013 27.975 1.00 0.00 ? 9 DT A "C1'" 6 +ATOM 3099 N N1 . DT A 1 13 ? -1.587 1.198 28.238 1.00 0.00 ? 9 DT A N1 6 +ATOM 3100 C C2 . DT A 1 13 ? -1.640 2.162 27.231 1.00 0.00 ? 9 DT A C2 6 +ATOM 3101 O O2 . DT A 1 13 ? -0.870 2.201 26.282 1.00 0.00 ? 9 DT A O2 6 +ATOM 3102 N N3 . DT A 1 13 ? -2.614 3.121 27.330 1.00 0.00 ? 9 DT A N3 6 +ATOM 3103 C C4 . DT A 1 13 ? -3.542 3.209 28.338 1.00 0.00 ? 9 DT A C4 6 +ATOM 3104 O O4 . DT A 1 13 ? -4.337 4.137 28.309 1.00 0.00 ? 9 DT A O4 6 +ATOM 3105 C C5 . DT A 1 13 ? -3.440 2.170 29.364 1.00 0.00 ? 9 DT A C5 6 +ATOM 3106 C C7 . DT A 1 13 ? -4.545 1.945 30.380 1.00 0.00 ? 9 DT A C7 6 +ATOM 3107 C C6 . DT A 1 13 ? -2.478 1.217 29.277 1.00 0.00 ? 9 DT A C6 6 +ATOM 3108 H "H5'" . DT A 1 13 ? -3.628 -2.798 27.001 1.00 0.00 ? 9 DT A "H5'" 6 +ATOM 3109 H "H5''" . DT A 1 13 ? -3.473 -3.376 28.651 1.00 0.00 ? 9 DT A "H5''" 6 +ATOM 3110 H "H4'" . DT A 1 13 ? -1.313 -2.914 27.543 1.00 0.00 ? 9 DT A "H4'" 6 +ATOM 3111 H "H3'" . DT A 1 13 ? -2.128 -1.616 30.102 1.00 0.00 ? 9 DT A "H3'" 6 +ATOM 3112 H "H2'" . DT A 1 13 ? -0.114 -0.189 30.082 1.00 0.00 ? 9 DT A "H2'" 6 +ATOM 3113 H "H2''" . DT A 1 13 ? 0.640 -1.248 28.931 1.00 0.00 ? 9 DT A "H2''" 6 +ATOM 3114 H "H1'" . DT A 1 13 ? 0.097 0.328 27.436 1.00 0.00 ? 9 DT A "H1'" 6 +ATOM 3115 H H3 . DT A 1 13 ? -2.702 3.780 26.581 1.00 0.00 ? 9 DT A H3 6 +ATOM 3116 H H71 . DT A 1 13 ? -5.266 2.764 30.395 1.00 0.00 ? 9 DT A H71 6 +ATOM 3117 H H72 . DT A 1 13 ? -5.048 1.036 30.036 1.00 0.00 ? 9 DT A H72 6 +ATOM 3118 H H73 . DT A 1 13 ? -4.146 1.788 31.383 1.00 0.00 ? 9 DT A H73 6 +ATOM 3119 H H6 . DT A 1 13 ? -2.420 0.419 29.999 1.00 0.00 ? 9 DT A H6 6 +ATOM 3120 P P . DT A 1 14 B -0.147 -3.096 31.441 1.00 0.00 ? 1 DT A P 6 +ATOM 3121 O OP1 . DT A 1 14 B -1.327 -3.018 32.327 1.00 0.00 ? 1 DT A OP1 6 +ATOM 3122 O OP2 . DT A 1 14 B 0.948 -2.113 31.593 1.00 0.00 ? 1 DT A OP2 6 +ATOM 3123 O "O5'" . DT A 1 14 B 0.485 -4.569 31.562 1.00 0.00 ? 1 DT A "O5'" 6 +ATOM 3124 C "C5'" . DT A 1 14 B 1.704 -4.906 30.920 1.00 0.00 ? 1 DT A "C5'" 6 +ATOM 3125 C "C4'" . DT A 1 14 B 1.528 -6.118 29.989 1.00 0.00 ? 1 DT A "C4'" 6 +ATOM 3126 O "O4'" . DT A 1 14 B 0.658 -5.782 28.905 1.00 0.00 ? 1 DT A "O4'" 6 +ATOM 3127 C "C3'" . DT A 1 14 B 2.889 -6.519 29.387 1.00 0.00 ? 1 DT A "C3'" 6 +ATOM 3128 O "O3'" . DT A 1 14 B 3.006 -7.928 29.296 1.00 0.00 ? 1 DT A "O3'" 6 +ATOM 3129 C "C2'" . DT A 1 14 B 2.792 -5.860 28.025 1.00 0.00 ? 1 DT A "C2'" 6 +ATOM 3130 C "C1'" . DT A 1 14 B 1.323 -6.046 27.691 1.00 0.00 ? 1 DT A "C1'" 6 +ATOM 3131 N N1 . DT A 1 14 B 0.904 -5.102 26.626 1.00 0.00 ? 1 DT A N1 6 +ATOM 3132 C C2 . DT A 1 14 B 0.328 -5.637 25.475 1.00 0.00 ? 1 DT A C2 6 +ATOM 3133 O O2 . DT A 1 14 B -0.133 -6.767 25.390 1.00 0.00 ? 1 DT A O2 6 +ATOM 3134 N N3 . DT A 1 14 B 0.279 -4.818 24.377 1.00 0.00 ? 1 DT A N3 6 +ATOM 3135 C C4 . DT A 1 14 B 0.667 -3.503 24.352 1.00 0.00 ? 1 DT A C4 6 +ATOM 3136 O O4 . DT A 1 14 B 0.683 -2.927 23.272 1.00 0.00 ? 1 DT A O4 6 +ATOM 3137 C C5 . DT A 1 14 B 1.039 -2.930 25.649 1.00 0.00 ? 1 DT A C5 6 +ATOM 3138 C C7 . DT A 1 14 B 1.282 -1.423 25.780 1.00 0.00 ? 1 DT A C7 6 +ATOM 3139 C C6 . DT A 1 14 B 1.152 -3.747 26.737 1.00 0.00 ? 1 DT A C6 6 +ATOM 3140 H "H5'" . DT A 1 14 B 2.417 -5.163 31.704 1.00 0.00 ? 1 DT A "H5'" 6 +ATOM 3141 H "H5''" . DT A 1 14 B 2.126 -4.079 30.342 1.00 0.00 ? 1 DT A "H5''" 6 +ATOM 3142 H "H4'" . DT A 1 14 B 1.108 -6.946 30.563 1.00 0.00 ? 1 DT A "H4'" 6 +ATOM 3143 H "H3'" . DT A 1 14 B 3.715 -6.080 29.947 1.00 0.00 ? 1 DT A "H3'" 6 +ATOM 3144 H "H2'" . DT A 1 14 B 3.090 -4.818 28.122 1.00 0.00 ? 1 DT A "H2'" 6 +ATOM 3145 H "H2''" . DT A 1 14 B 3.395 -6.349 27.280 1.00 0.00 ? 1 DT A "H2''" 6 +ATOM 3146 H "H1'" . DT A 1 14 B 1.194 -7.095 27.417 1.00 0.00 ? 1 DT A "H1'" 6 +ATOM 3147 H H3 . DT A 1 14 B -0.131 -5.186 23.541 1.00 0.00 ? 1 DT A H3 6 +ATOM 3148 H H71 . DT A 1 14 B 1.780 -1.179 26.720 1.00 0.00 ? 1 DT A H71 6 +ATOM 3149 H H72 . DT A 1 14 B 0.329 -0.875 25.718 1.00 0.00 ? 1 DT A H72 6 +ATOM 3150 H H73 . DT A 1 14 B 1.922 -1.080 24.965 1.00 0.00 ? 1 DT A H73 6 +ATOM 3151 H H6 . DT A 1 14 B 1.454 -3.367 27.713 1.00 0.00 ? 1 DT A H6 6 +ATOM 3152 P P . DU A 1 15 B 4.343 -8.645 28.744 1.00 0.00 ? 2 DU A P 6 +ATOM 3153 O OP1 . DU A 1 15 B 4.319 -10.057 29.175 1.00 0.00 ? 2 DU A OP1 6 +ATOM 3154 O OP2 . DU A 1 15 B 5.500 -7.783 29.064 1.00 0.00 ? 2 DU A OP2 6 +ATOM 3155 O "O5'" . DU A 1 15 B 4.120 -8.623 27.151 1.00 0.00 ? 2 DU A "O5'" 6 +ATOM 3156 C "C5'" . DU A 1 15 B 3.035 -9.311 26.560 1.00 0.00 ? 2 DU A "C5'" 6 +ATOM 3157 C "C4'" . DU A 1 15 B 2.657 -8.777 25.158 1.00 0.00 ? 2 DU A "C4'" 6 +ATOM 3158 O "O4'" . DU A 1 15 B 2.619 -7.361 25.043 1.00 0.00 ? 2 DU A "O4'" 6 +ATOM 3159 C "C3'" . DU A 1 15 B 3.352 -9.359 23.918 1.00 0.00 ? 2 DU A "C3'" 6 +ATOM 3160 O "O3'" . DU A 1 15 B 2.443 -10.262 23.264 1.00 0.00 ? 2 DU A "O3'" 6 +ATOM 3161 C "C2'" . DU A 1 15 B 3.697 -8.119 23.064 1.00 0.00 ? 2 DU A "C2'" 6 +ATOM 3162 C "C1'" . DU A 1 15 B 3.155 -6.897 23.806 1.00 0.00 ? 2 DU A "C1'" 6 +ATOM 3163 N N1 . DU A 1 15 B 4.181 -5.945 24.183 1.00 0.00 ? 2 DU A N1 6 +ATOM 3164 C C2 . DU A 1 15 B 4.182 -4.627 23.912 1.00 0.00 ? 2 DU A C2 6 +ATOM 3165 O O2 . DU A 1 15 B 3.549 -4.129 22.994 1.00 0.00 ? 2 DU A O2 6 +ATOM 3166 N N3 . DU A 1 15 B 4.820 -3.761 24.775 1.00 0.00 ? 2 DU A N3 6 +ATOM 3167 C C4 . DU A 1 15 B 5.354 -4.133 25.992 1.00 0.00 ? 2 DU A C4 6 +ATOM 3168 O O4 . DU A 1 15 B 5.688 -3.259 26.779 1.00 0.00 ? 2 DU A O4 6 +ATOM 3169 C C5 . DU A 1 15 B 5.482 -5.568 26.177 1.00 0.00 ? 2 DU A C5 6 +ATOM 3170 C C6 . DU A 1 15 B 5.060 -6.426 25.240 1.00 0.00 ? 2 DU A C6 6 +ATOM 3171 H "H5'" . DU A 1 15 B 2.143 -9.206 27.181 1.00 0.00 ? 2 DU A "H5'" 6 +ATOM 3172 H "H5''" . DU A 1 15 B 3.266 -10.375 26.491 1.00 0.00 ? 2 DU A "H5''" 6 +ATOM 3173 H "H4'" . DU A 1 15 B 1.606 -8.967 25.095 1.00 0.00 ? 2 DU A "H4'" 6 +ATOM 3174 H "H3'" . DU A 1 15 B 4.261 -9.899 24.228 1.00 0.00 ? 2 DU A "H3'" 6 +ATOM 3175 H "H2'" . DU A 1 15 B 4.783 -8.056 22.907 1.00 0.00 ? 2 DU A "H2'" 6 +ATOM 3176 H "H2''" . DU A 1 15 B 3.213 -8.166 22.083 1.00 0.00 ? 2 DU A "H2''" 6 +ATOM 3177 H "H1'" . DU A 1 15 B 2.336 -6.429 23.241 1.00 0.00 ? 2 DU A "H1'" 6 +ATOM 3178 H H3 . DU A 1 15 B 4.708 -2.782 24.600 1.00 0.00 ? 2 DU A H3 6 +ATOM 3179 H H5 . DU A 1 15 B 5.781 -6.077 27.070 1.00 0.00 ? 2 DU A H5 6 +ATOM 3180 H H6 . DU A 1 15 B 5.280 -7.473 25.354 1.00 0.00 ? 2 DU A H6 6 +ATOM 3181 P P . DG A 1 16 B 3.102 -11.046 22.001 1.00 0.00 ? 3 DG A P 6 +ATOM 3182 O OP1 . DG A 1 16 B 2.274 -12.238 21.723 1.00 0.00 ? 3 DG A OP1 6 +ATOM 3183 O OP2 . DG A 1 16 B 4.551 -11.213 22.256 1.00 0.00 ? 3 DG A OP2 6 +ATOM 3184 O "O5'" . DG A 1 16 B 2.937 -10.033 20.756 1.00 0.00 ? 3 DG A "O5'" 6 +ATOM 3185 C "C5'" . DG A 1 16 B 1.723 -9.898 20.030 1.00 0.00 ? 3 DG A "C5'" 6 +ATOM 3186 C "C4'" . DG A 1 16 B 0.550 -9.283 20.827 1.00 0.00 ? 3 DG A "C4'" 6 +ATOM 3187 O "O4'" . DG A 1 16 B 0.898 -7.982 21.299 1.00 0.00 ? 3 DG A "O4'" 6 +ATOM 3188 C "C3'" . DG A 1 16 B -0.676 -9.115 19.909 1.00 0.00 ? 3 DG A "C3'" 6 +ATOM 3189 O "O3'" . DG A 1 16 B -1.876 -9.285 20.639 1.00 0.00 ? 3 DG A "O3'" 6 +ATOM 3190 C "C2'" . DG A 1 16 B -0.526 -7.664 19.478 1.00 0.00 ? 3 DG A "C2'" 6 +ATOM 3191 C "C1'" . DG A 1 16 B -0.011 -7.035 20.767 1.00 0.00 ? 3 DG A "C1'" 6 +ATOM 3192 N N9 . DG A 1 16 B 0.690 -5.768 20.489 1.00 0.00 ? 3 DG A N9 6 +ATOM 3193 C C8 . DG A 1 16 B 1.955 -5.588 19.992 1.00 0.00 ? 3 DG A C8 6 +ATOM 3194 N N7 . DG A 1 16 B 2.281 -4.343 19.792 1.00 0.00 ? 3 DG A N7 6 +ATOM 3195 C C5 . DG A 1 16 B 1.131 -3.639 20.171 1.00 0.00 ? 3 DG A C5 6 +ATOM 3196 C C6 . DG A 1 16 B 0.806 -2.241 20.144 1.00 0.00 ? 3 DG A C6 6 +ATOM 3197 O O6 . DG A 1 16 B 1.524 -1.296 19.845 1.00 0.00 ? 3 DG A O6 6 +ATOM 3198 N N1 . DG A 1 16 B -0.499 -1.948 20.497 1.00 0.00 ? 3 DG A N1 6 +ATOM 3199 C C2 . DG A 1 16 B -1.381 -2.894 20.899 1.00 0.00 ? 3 DG A C2 6 +ATOM 3200 N N2 . DG A 1 16 B -2.614 -2.500 21.056 1.00 0.00 ? 3 DG A N2 6 +ATOM 3201 N N3 . DG A 1 16 B -1.122 -4.199 20.953 1.00 0.00 ? 3 DG A N3 6 +ATOM 3202 C C4 . DG A 1 16 B 0.150 -4.510 20.579 1.00 0.00 ? 3 DG A C4 6 +ATOM 3203 H "H5'" . DG A 1 16 B 1.425 -10.871 19.634 1.00 0.00 ? 3 DG A "H5'" 6 +ATOM 3204 H "H5''" . DG A 1 16 B 1.940 -9.250 19.179 1.00 0.00 ? 3 DG A "H5''" 6 +ATOM 3205 H "H4'" . DG A 1 16 B 0.297 -9.937 21.663 1.00 0.00 ? 3 DG A "H4'" 6 +ATOM 3206 H "H3'" . DG A 1 16 B -0.617 -9.799 19.059 1.00 0.00 ? 3 DG A "H3'" 6 +ATOM 3207 H "H2'" . DG A 1 16 B 0.215 -7.594 18.681 1.00 0.00 ? 3 DG A "H2'" 6 +ATOM 3208 H "H2''" . DG A 1 16 B -1.462 -7.215 19.156 1.00 0.00 ? 3 DG A "H2''" 6 +ATOM 3209 H "H1'" . DG A 1 16 B -0.830 -6.894 21.476 1.00 0.00 ? 3 DG A "H1'" 6 +ATOM 3210 H H8 . DG A 1 16 B 2.621 -6.408 19.764 1.00 0.00 ? 3 DG A H8 6 +ATOM 3211 H H1 . DG A 1 16 B -0.789 -0.979 20.429 1.00 0.00 ? 3 DG A H1 6 +ATOM 3212 H H21 . DG A 1 16 B -2.878 -1.538 20.901 1.00 0.00 ? 3 DG A H21 6 +ATOM 3213 H H22 . DG A 1 16 B -3.277 -3.241 21.201 1.00 0.00 ? 3 DG A H22 6 +ATOM 3214 P P . DG A 1 17 B -3.284 -9.519 19.894 1.00 0.00 ? 4 DG A P 6 +ATOM 3215 O OP1 . DG A 1 17 B -4.229 -10.079 20.884 1.00 0.00 ? 4 DG A OP1 6 +ATOM 3216 O OP2 . DG A 1 17 B -3.013 -10.260 18.644 1.00 0.00 ? 4 DG A OP2 6 +ATOM 3217 O "O5'" . DG A 1 17 B -3.792 -8.039 19.495 1.00 0.00 ? 4 DG A "O5'" 6 +ATOM 3218 C "C5'" . DG A 1 17 B -4.551 -7.244 20.393 1.00 0.00 ? 4 DG A "C5'" 6 +ATOM 3219 C "C4'" . DG A 1 17 B -5.056 -5.938 19.747 1.00 0.00 ? 4 DG A "C4'" 6 +ATOM 3220 O "O4'" . DG A 1 17 B -4.020 -4.958 19.649 1.00 0.00 ? 4 DG A "O4'" 6 +ATOM 3221 C "C3'" . DG A 1 17 B -5.622 -6.141 18.323 1.00 0.00 ? 4 DG A "C3'" 6 +ATOM 3222 O "O3'" . DG A 1 17 B -6.791 -5.351 18.165 1.00 0.00 ? 4 DG A "O3'" 6 +ATOM 3223 C "C2'" . DG A 1 17 B -4.472 -5.578 17.494 1.00 0.00 ? 4 DG A "C2'" 6 +ATOM 3224 C "C1'" . DG A 1 17 B -4.103 -4.382 18.359 1.00 0.00 ? 4 DG A "C1'" 6 +ATOM 3225 N N9 . DG A 1 17 B -2.834 -3.749 17.954 1.00 0.00 ? 4 DG A N9 6 +ATOM 3226 C C8 . DG A 1 17 B -1.610 -4.319 17.730 1.00 0.00 ? 4 DG A C8 6 +ATOM 3227 N N7 . DG A 1 17 B -0.676 -3.471 17.391 1.00 0.00 ? 4 DG A N7 6 +ATOM 3228 C C5 . DG A 1 17 B -1.344 -2.240 17.361 1.00 0.00 ? 4 DG A C5 6 +ATOM 3229 C C6 . DG A 1 17 B -0.917 -0.907 17.028 1.00 0.00 ? 4 DG A C6 6 +ATOM 3230 O O6 . DG A 1 17 B 0.201 -0.511 16.722 1.00 0.00 ? 4 DG A O6 6 +ATOM 3231 N N1 . DG A 1 17 B -1.928 0.037 17.040 1.00 0.00 ? 4 DG A N1 6 +ATOM 3232 C C2 . DG A 1 17 B -3.207 -0.261 17.376 1.00 0.00 ? 4 DG A C2 6 +ATOM 3233 N N2 . DG A 1 17 B -4.093 0.688 17.281 1.00 0.00 ? 4 DG A N2 6 +ATOM 3234 N N3 . DG A 1 17 B -3.641 -1.469 17.702 1.00 0.00 ? 4 DG A N3 6 +ATOM 3235 C C4 . DG A 1 17 B -2.668 -2.418 17.677 1.00 0.00 ? 4 DG A C4 6 +ATOM 3236 H "H5'" . DG A 1 17 B -3.961 -7.007 21.281 1.00 0.00 ? 4 DG A "H5'" 6 +ATOM 3237 H "H5''" . DG A 1 17 B -5.434 -7.806 20.705 1.00 0.00 ? 4 DG A "H5''" 6 +ATOM 3238 H "H4'" . DG A 1 17 B -5.838 -5.549 20.404 1.00 0.00 ? 4 DG A "H4'" 6 +ATOM 3239 H "H3'" . DG A 1 17 B -5.824 -7.191 18.099 1.00 0.00 ? 4 DG A "H3'" 6 +ATOM 3240 H "H2'" . DG A 1 17 B -3.661 -6.304 17.467 1.00 0.00 ? 4 DG A "H2'" 6 +ATOM 3241 H "H2''" . DG A 1 17 B -4.752 -5.319 16.480 1.00 0.00 ? 4 DG A "H2''" 6 +ATOM 3242 H "H1'" . DG A 1 17 B -4.909 -3.645 18.328 1.00 0.00 ? 4 DG A "H1'" 6 +ATOM 3243 H H8 . DG A 1 17 B -1.437 -5.378 17.825 1.00 0.00 ? 4 DG A H8 6 +ATOM 3244 H H1 . DG A 1 17 B -1.661 0.982 16.785 1.00 0.00 ? 4 DG A H1 6 +ATOM 3245 H H21 . DG A 1 17 B -3.836 1.618 16.991 1.00 0.00 ? 4 DG A H21 6 +ATOM 3246 H H22 . DG A 1 17 B -5.042 0.393 17.433 1.00 0.00 ? 4 DG A H22 6 +ATOM 3247 P P . DA A 1 18 B -7.635 -5.314 16.794 1.00 0.00 ? 5 DA A P 6 +ATOM 3248 O OP1 . DA A 1 18 B -9.066 -5.433 17.146 1.00 0.00 ? 5 DA A OP1 6 +ATOM 3249 O OP2 . DA A 1 18 B -7.033 -6.274 15.844 1.00 0.00 ? 5 DA A OP2 6 +ATOM 3250 O "O5'" . DA A 1 18 B -7.380 -3.821 16.226 1.00 0.00 ? 5 DA A "O5'" 6 +ATOM 3251 C "C5'" . DA A 1 18 B -7.964 -2.686 16.853 1.00 0.00 ? 5 DA A "C5'" 6 +ATOM 3252 C "C4'" . DA A 1 18 B -7.814 -1.393 16.025 1.00 0.00 ? 5 DA A "C4'" 6 +ATOM 3253 O "O4'" . DA A 1 18 B -6.459 -0.955 15.974 1.00 0.00 ? 5 DA A "O4'" 6 +ATOM 3254 C "C3'" . DA A 1 18 B -8.314 -1.538 14.575 1.00 0.00 ? 5 DA A "C3'" 6 +ATOM 3255 O "O3'" . DA A 1 18 B -9.066 -0.398 14.200 1.00 0.00 ? 5 DA A "O3'" 6 +ATOM 3256 C "C2'" . DA A 1 18 B -7.005 -1.613 13.814 1.00 0.00 ? 5 DA A "C2'" 6 +ATOM 3257 C "C1'" . DA A 1 18 B -6.126 -0.668 14.629 1.00 0.00 ? 5 DA A "C1'" 6 +ATOM 3258 N N9 . DA A 1 18 B -4.705 -0.990 14.431 1.00 0.00 ? 5 DA A N9 6 +ATOM 3259 C C8 . DA A 1 18 B -4.104 -2.209 14.592 1.00 0.00 ? 5 DA A C8 6 +ATOM 3260 N N7 . DA A 1 18 B -2.821 -2.216 14.361 1.00 0.00 ? 5 DA A N7 6 +ATOM 3261 C C5 . DA A 1 18 B -2.561 -0.884 14.019 1.00 0.00 ? 5 DA A C5 6 +ATOM 3262 C C6 . DA A 1 18 B -1.409 -0.162 13.641 1.00 0.00 ? 5 DA A C6 6 +ATOM 3263 N N6 . DA A 1 18 B -0.212 -0.699 13.544 1.00 0.00 ? 5 DA A N6 6 +ATOM 3264 N N1 . DA A 1 18 B -1.472 1.141 13.339 1.00 0.00 ? 5 DA A N1 6 +ATOM 3265 C C2 . DA A 1 18 B -2.652 1.745 13.439 1.00 0.00 ? 5 DA A C2 6 +ATOM 3266 N N3 . DA A 1 18 B -3.814 1.197 13.781 1.00 0.00 ? 5 DA A N3 6 +ATOM 3267 C C4 . DA A 1 18 B -3.703 -0.130 14.061 1.00 0.00 ? 5 DA A C4 6 +ATOM 3268 H "H5'" . DA A 1 18 B -7.513 -2.536 17.836 1.00 0.00 ? 5 DA A "H5'" 6 +ATOM 3269 H "H5''" . DA A 1 18 B -9.035 -2.851 16.989 1.00 0.00 ? 5 DA A "H5''" 6 +ATOM 3270 H "H4'" . DA A 1 18 B -8.394 -0.619 16.530 1.00 0.00 ? 5 DA A "H4'" 6 +ATOM 3271 H "H3'" . DA A 1 18 B -8.875 -2.461 14.430 1.00 0.00 ? 5 DA A "H3'" 6 +ATOM 3272 H "H2'" . DA A 1 18 B -6.666 -2.647 13.860 1.00 0.00 ? 5 DA A "H2'" 6 +ATOM 3273 H "H2''" . DA A 1 18 B -7.109 -1.324 12.774 1.00 0.00 ? 5 DA A "H2''" 6 +ATOM 3274 H "H1'" . DA A 1 18 B -6.360 0.373 14.396 1.00 0.00 ? 5 DA A "H1'" 6 +ATOM 3275 H H8 . DA A 1 18 B -4.669 -3.083 14.873 1.00 0.00 ? 5 DA A H8 6 +ATOM 3276 H H61 . DA A 1 18 B 0.546 -0.101 13.256 1.00 0.00 ? 5 DA A H61 6 +ATOM 3277 H H62 . DA A 1 18 B -0.083 -1.663 13.801 1.00 0.00 ? 5 DA A H62 6 +ATOM 3278 H H2 . DA A 1 18 B -2.675 2.795 13.197 1.00 0.00 ? 5 DA A H2 6 +ATOM 3279 P P . DT A 1 19 B -9.783 -0.280 12.763 1.00 0.00 ? 6 DT A P 6 +ATOM 3280 O OP1 . DT A 1 19 B -11.137 0.275 12.972 1.00 0.00 ? 6 DT A OP1 6 +ATOM 3281 O OP2 . DT A 1 19 B -9.613 -1.559 12.041 1.00 0.00 ? 6 DT A OP2 6 +ATOM 3282 O "O5'" . DT A 1 19 B -8.892 0.835 12.016 1.00 0.00 ? 6 DT A "O5'" 6 +ATOM 3283 C "C5'" . DT A 1 19 B -8.943 2.195 12.418 1.00 0.00 ? 6 DT A "C5'" 6 +ATOM 3284 C "C4'" . DT A 1 19 B -8.041 3.091 11.553 1.00 0.00 ? 6 DT A "C4'" 6 +ATOM 3285 O "O4'" . DT A 1 19 B -6.672 2.733 11.719 1.00 0.00 ? 6 DT A "O4'" 6 +ATOM 3286 C "C3'" . DT A 1 19 B -8.370 3.030 10.047 1.00 0.00 ? 6 DT A "C3'" 6 +ATOM 3287 O "O3'" . DT A 1 19 B -8.422 4.335 9.498 1.00 0.00 ? 6 DT A "O3'" 6 +ATOM 3288 C "C2'" . DT A 1 19 B -7.174 2.255 9.507 1.00 0.00 ? 6 DT A "C2'" 6 +ATOM 3289 C "C1'" . DT A 1 19 B -6.065 2.719 10.446 1.00 0.00 ? 6 DT A "C1'" 6 +ATOM 3290 N N1 . DT A 1 19 B -4.898 1.797 10.466 1.00 0.00 ? 6 DT A N1 6 +ATOM 3291 C C2 . DT A 1 19 B -3.646 2.322 10.151 1.00 0.00 ? 6 DT A C2 6 +ATOM 3292 O O2 . DT A 1 19 B -3.436 3.490 9.861 1.00 0.00 ? 6 DT A O2 6 +ATOM 3293 N N3 . DT A 1 19 B -2.593 1.446 10.137 1.00 0.00 ? 6 DT A N3 6 +ATOM 3294 C C4 . DT A 1 19 B -2.667 0.100 10.386 1.00 0.00 ? 6 DT A C4 6 +ATOM 3295 O O4 . DT A 1 19 B -1.647 -0.565 10.274 1.00 0.00 ? 6 DT A O4 6 +ATOM 3296 C C5 . DT A 1 19 B -3.991 -0.396 10.760 1.00 0.00 ? 6 DT A C5 6 +ATOM 3297 C C7 . DT A 1 19 B -4.222 -1.880 11.052 1.00 0.00 ? 6 DT A C7 6 +ATOM 3298 C C6 . DT A 1 19 B -5.045 0.462 10.797 1.00 0.00 ? 6 DT A C6 6 +ATOM 3299 H "H5'" . DT A 1 19 B -8.627 2.287 13.460 1.00 0.00 ? 6 DT A "H5'" 6 +ATOM 3300 H "H5''" . DT A 1 19 B -9.967 2.568 12.333 1.00 0.00 ? 6 DT A "H5''" 6 +ATOM 3301 H "H4'" . DT A 1 19 B -8.165 4.117 11.906 1.00 0.00 ? 6 DT A "H4'" 6 +ATOM 3302 H "H3'" . DT A 1 19 B -9.311 2.501 9.870 1.00 0.00 ? 6 DT A "H3'" 6 +ATOM 3303 H "H2'" . DT A 1 19 B -7.390 1.199 9.615 1.00 0.00 ? 6 DT A "H2'" 6 +ATOM 3304 H "H2''" . DT A 1 19 B -6.961 2.471 8.463 1.00 0.00 ? 6 DT A "H2''" 6 +ATOM 3305 H "H1'" . DT A 1 19 B -5.814 3.742 10.171 1.00 0.00 ? 6 DT A "H1'" 6 +ATOM 3306 H H3 . DT A 1 19 B -1.687 1.828 9.892 1.00 0.00 ? 6 DT A H3 6 +ATOM 3307 H H71 . DT A 1 19 B -4.308 -2.426 10.111 1.00 0.00 ? 6 DT A H71 6 +ATOM 3308 H H72 . DT A 1 19 B -3.385 -2.296 11.615 1.00 0.00 ? 6 DT A H72 6 +ATOM 3309 H H73 . DT A 1 19 B -5.132 -2.049 11.629 1.00 0.00 ? 6 DT A H73 6 +ATOM 3310 H H6 . DT A 1 19 B -6.010 0.089 11.114 1.00 0.00 ? 6 DT A H6 6 +ATOM 3311 P P . DC A 1 20 B -8.848 4.596 7.968 1.00 0.00 ? 7 DC A P 6 +ATOM 3312 O OP1 . DC A 1 20 B -9.777 5.746 7.941 1.00 0.00 ? 7 DC A OP1 6 +ATOM 3313 O OP2 . DC A 1 20 B -9.248 3.310 7.360 1.00 0.00 ? 7 DC A OP2 6 +ATOM 3314 O "O5'" . DC A 1 20 B -7.462 5.055 7.291 1.00 0.00 ? 7 DC A "O5'" 6 +ATOM 3315 C "C5'" . DC A 1 20 B -6.907 6.331 7.567 1.00 0.00 ? 7 DC A "C5'" 6 +ATOM 3316 C "C4'" . DC A 1 20 B -5.567 6.543 6.844 1.00 0.00 ? 7 DC A "C4'" 6 +ATOM 3317 O "O4'" . DC A 1 20 B -4.596 5.617 7.325 1.00 0.00 ? 7 DC A "O4'" 6 +ATOM 3318 C "C3'" . DC A 1 20 B -5.659 6.379 5.311 1.00 0.00 ? 7 DC A "C3'" 6 +ATOM 3319 O "O3'" . DC A 1 20 B -4.914 7.402 4.675 1.00 0.00 ? 7 DC A "O3'" 6 +ATOM 3320 C "C2'" . DC A 1 20 B -4.985 5.025 5.124 1.00 0.00 ? 7 DC A "C2'" 6 +ATOM 3321 C "C1'" . DC A 1 20 B -3.915 5.091 6.210 1.00 0.00 ? 7 DC A "C1'" 6 +ATOM 3322 N N1 . DC A 1 20 B -3.380 3.746 6.530 1.00 0.00 ? 7 DC A N1 6 +ATOM 3323 C C2 . DC A 1 20 B -2.011 3.524 6.413 1.00 0.00 ? 7 DC A C2 6 +ATOM 3324 O O2 . DC A 1 20 B -1.238 4.429 6.132 1.00 0.00 ? 7 DC A O2 6 +ATOM 3325 N N3 . DC A 1 20 B -1.496 2.279 6.582 1.00 0.00 ? 7 DC A N3 6 +ATOM 3326 C C4 . DC A 1 20 B -2.316 1.301 6.922 1.00 0.00 ? 7 DC A C4 6 +ATOM 3327 N N4 . DC A 1 20 B -1.771 0.127 7.064 1.00 0.00 ? 7 DC A N4 6 +ATOM 3328 C C5 . DC A 1 20 B -3.721 1.470 7.085 1.00 0.00 ? 7 DC A C5 6 +ATOM 3329 C C6 . DC A 1 20 B -4.212 2.716 6.890 1.00 0.00 ? 7 DC A C6 6 +ATOM 3330 H "H5'" . DC A 1 20 B -6.740 6.442 8.641 1.00 0.00 ? 7 DC A "H5'" 6 +ATOM 3331 H "H5''" . DC A 1 20 B -7.597 7.113 7.240 1.00 0.00 ? 7 DC A "H5''" 6 +ATOM 3332 H "H4'" . DC A 1 20 B -5.223 7.552 7.080 1.00 0.00 ? 7 DC A "H4'" 6 +ATOM 3333 H "H3'" . DC A 1 20 B -6.696 6.377 4.965 1.00 0.00 ? 7 DC A "H3'" 6 +ATOM 3334 H "H2'" . DC A 1 20 B -5.727 4.252 5.320 1.00 0.00 ? 7 DC A "H2'" 6 +ATOM 3335 H "H2''" . DC A 1 20 B -4.570 4.881 4.129 1.00 0.00 ? 7 DC A "H2''" 6 +ATOM 3336 H "H1'" . DC A 1 20 B -3.152 5.816 5.912 1.00 0.00 ? 7 DC A "H1'" 6 +ATOM 3337 H H41 . DC A 1 20 B -0.775 0.116 6.908 1.00 0.00 ? 7 DC A H41 6 +ATOM 3338 H H42 . DC A 1 20 B -2.301 -0.667 7.364 1.00 0.00 ? 7 DC A H42 6 +ATOM 3339 H H5 . DC A 1 20 B -4.384 0.666 7.356 1.00 0.00 ? 7 DC A H5 6 +ATOM 3340 H H6 . DC A 1 20 B -5.271 2.900 7.017 1.00 0.00 ? 7 DC A H6 6 +ATOM 3341 P P . DC A 1 21 B -4.862 7.558 3.073 1.00 0.00 ? 8 DC A P 6 +ATOM 3342 O OP1 . DC A 1 21 B -5.145 8.971 2.744 1.00 0.00 ? 8 DC A OP1 6 +ATOM 3343 O OP2 . DC A 1 21 B -5.669 6.480 2.463 1.00 0.00 ? 8 DC A OP2 6 +ATOM 3344 O "O5'" . DC A 1 21 B -3.311 7.264 2.748 1.00 0.00 ? 8 DC A "O5'" 6 +ATOM 3345 C "C5'" . DC A 1 21 B -2.299 8.171 3.155 1.00 0.00 ? 8 DC A "C5'" 6 +ATOM 3346 C "C4'" . DC A 1 21 B -0.896 7.716 2.714 1.00 0.00 ? 8 DC A "C4'" 6 +ATOM 3347 O "O4'" . DC A 1 21 B -0.542 6.484 3.339 1.00 0.00 ? 8 DC A "O4'" 6 +ATOM 3348 C "C3'" . DC A 1 21 B -0.761 7.538 1.190 1.00 0.00 ? 8 DC A "C3'" 6 +ATOM 3349 O "O3'" . DC A 1 21 B 0.462 8.095 0.738 1.00 0.00 ? 8 DC A "O3'" 6 +ATOM 3350 C "C2'" . DC A 1 21 B -0.773 6.028 1.067 1.00 0.00 ? 8 DC A "C2'" 6 +ATOM 3351 C "C1'" . DC A 1 21 B -0.085 5.583 2.350 1.00 0.00 ? 8 DC A "C1'" 6 +ATOM 3352 N N1 . DC A 1 21 B -0.508 4.207 2.705 1.00 0.00 ? 8 DC A N1 6 +ATOM 3353 C C2 . DC A 1 21 B 0.419 3.172 2.633 1.00 0.00 ? 8 DC A C2 6 +ATOM 3354 O O2 . DC A 1 21 B 1.571 3.361 2.269 1.00 0.00 ? 8 DC A O2 6 +ATOM 3355 N N3 . DC A 1 21 B 0.063 1.905 2.967 1.00 0.00 ? 8 DC A N3 6 +ATOM 3356 C C4 . DC A 1 21 B -1.178 1.683 3.366 1.00 0.00 ? 8 DC A C4 6 +ATOM 3357 N N4 . DC A 1 21 B -1.461 0.456 3.693 1.00 0.00 ? 8 DC A N4 6 +ATOM 3358 C C5 . DC A 1 21 B -2.185 2.687 3.411 1.00 0.00 ? 8 DC A C5 6 +ATOM 3359 C C6 . DC A 1 21 B -1.804 3.942 3.076 1.00 0.00 ? 8 DC A C6 6 +ATOM 3360 H "H5'" . DC A 1 21 B -2.304 8.268 4.243 1.00 0.00 ? 8 DC A "H5'" 6 +ATOM 3361 H "H5''" . DC A 1 21 B -2.485 9.154 2.719 1.00 0.00 ? 8 DC A "H5''" 6 +ATOM 3362 H "H4'" . DC A 1 21 B -0.191 8.479 3.050 1.00 0.00 ? 8 DC A "H4'" 6 +ATOM 3363 H "H3'" . DC A 1 21 B -1.614 7.940 0.644 1.00 0.00 ? 8 DC A "H3'" 6 +ATOM 3364 H "H2'" . DC A 1 21 B -1.809 5.692 1.016 1.00 0.00 ? 8 DC A "H2'" 6 +ATOM 3365 H "H2''" . DC A 1 21 B -0.233 5.710 0.189 1.00 0.00 ? 8 DC A "H2''" 6 +ATOM 3366 H "H1'" . DC A 1 21 B 0.996 5.713 2.252 1.00 0.00 ? 8 DC A "H1'" 6 +ATOM 3367 H H41 . DC A 1 21 B -0.678 -0.174 3.625 1.00 0.00 ? 8 DC A H41 6 +ATOM 3368 H H42 . DC A 1 21 B -2.369 0.198 4.024 1.00 0.00 ? 8 DC A H42 6 +ATOM 3369 H H5 . DC A 1 21 B -3.198 2.484 3.718 1.00 0.00 ? 8 DC A H5 6 +ATOM 3370 H H6 . DC A 1 21 B -2.528 4.746 3.095 1.00 0.00 ? 8 DC A H6 6 +ATOM 3371 P P . DT A 1 22 B 0.785 8.284 -0.829 1.00 0.00 ? 9 DT A P 6 +ATOM 3372 O OP1 . DT A 1 22 B 1.807 9.343 -0.963 1.00 0.00 ? 9 DT A OP1 6 +ATOM 3373 O OP2 . DT A 1 22 B -0.494 8.401 -1.561 1.00 0.00 ? 9 DT A OP2 6 +ATOM 3374 O "O5'" . DT A 1 22 B 1.463 6.886 -1.243 1.00 0.00 ? 9 DT A "O5'" 6 +ATOM 3375 C "C5'" . DT A 1 22 B 2.810 6.594 -0.908 1.00 0.00 ? 9 DT A "C5'" 6 +ATOM 3376 C "C4'" . DT A 1 22 B 3.183 5.163 -1.324 1.00 0.00 ? 9 DT A "C4'" 6 +ATOM 3377 O "O4'" . DT A 1 22 B 2.446 4.197 -0.591 1.00 0.00 ? 9 DT A "O4'" 6 +ATOM 3378 C "C3'" . DT A 1 22 B 2.915 4.849 -2.805 1.00 0.00 ? 9 DT A "C3'" 6 +ATOM 3379 O "O3'" . DT A 1 22 B 4.110 4.879 -3.560 1.00 0.00 ? 9 DT A "O3'" 6 +ATOM 3380 C "C2'" . DT A 1 22 B 2.374 3.417 -2.784 1.00 0.00 ? 9 DT A "C2'" 6 +ATOM 3381 C "C1'" . DT A 1 22 B 2.529 2.998 -1.323 1.00 0.00 ? 9 DT A "C1'" 6 +ATOM 3382 N N1 . DT A 1 22 B 1.463 2.065 -0.887 1.00 0.00 ? 9 DT A N1 6 +ATOM 3383 C C2 . DT A 1 22 B 1.840 0.784 -0.498 1.00 0.00 ? 9 DT A C2 6 +ATOM 3384 O O2 . DT A 1 22 B 2.973 0.338 -0.594 1.00 0.00 ? 9 DT A O2 6 +ATOM 3385 N N3 . DT A 1 22 B 0.853 -0.025 -0.008 1.00 0.00 ? 9 DT A N3 6 +ATOM 3386 C C4 . DT A 1 22 B -0.464 0.313 0.152 1.00 0.00 ? 9 DT A C4 6 +ATOM 3387 O O4 . DT A 1 22 B -1.208 -0.528 0.644 1.00 0.00 ? 9 DT A O4 6 +ATOM 3388 C C5 . DT A 1 22 B -0.824 1.649 -0.339 1.00 0.00 ? 9 DT A C5 6 +ATOM 3389 C C7 . DT A 1 22 B -2.262 2.165 -0.318 1.00 0.00 ? 9 DT A C7 6 +ATOM 3390 C C6 . DT A 1 22 B 0.142 2.463 -0.842 1.00 0.00 ? 9 DT A C6 6 +ATOM 3391 H "H5'" . DT A 1 22 B 2.965 6.695 0.168 1.00 0.00 ? 9 DT A "H5'" 6 +ATOM 3392 H "H5''" . DT A 1 22 B 3.475 7.288 -1.426 1.00 0.00 ? 9 DT A "H5''" 6 +ATOM 3393 H "H4'" . DT A 1 22 B 4.243 5.008 -1.106 1.00 0.00 ? 9 DT A "H4'" 6 +ATOM 3394 H "H3'" . DT A 1 22 B 2.183 5.526 -3.248 1.00 0.00 ? 9 DT A "H3'" 6 +ATOM 3395 H "H2'" . DT A 1 22 B 1.328 3.446 -3.086 1.00 0.00 ? 9 DT A "H2'" 6 +ATOM 3396 H "H2''" . DT A 1 22 B 2.915 2.742 -3.443 1.00 0.00 ? 9 DT A "H2''" 6 +ATOM 3397 H "H1'" . DT A 1 22 B 3.539 2.603 -1.179 1.00 0.00 ? 9 DT A "H1'" 6 +ATOM 3398 H H3 . DT A 1 22 B 1.123 -0.965 0.241 1.00 0.00 ? 9 DT A H3 6 +ATOM 3399 H H71 . DT A 1 22 B -2.620 2.318 -1.338 1.00 0.00 ? 9 DT A H71 6 +ATOM 3400 H H72 . DT A 1 22 B -2.927 1.459 0.176 1.00 0.00 ? 9 DT A H72 6 +ATOM 3401 H H73 . DT A 1 22 B -2.317 3.115 0.218 1.00 0.00 ? 9 DT A H73 6 +ATOM 3402 H H6 . DT A 1 22 B -0.130 3.434 -1.237 1.00 0.00 ? 9 DT A H6 6 +ATOM 3403 O "O5'" . DA A 1 5 ? 7.595 -10.385 1.208 1.00 0.00 ? 1 DA A "O5'" 7 +ATOM 3404 C "C5'" . DA A 1 5 ? 6.238 -10.062 1.462 1.00 0.00 ? 1 DA A "C5'" 7 +ATOM 3405 C "C4'" . DA A 1 5 ? 5.713 -9.014 0.466 1.00 0.00 ? 1 DA A "C4'" 7 +ATOM 3406 O "O4'" . DA A 1 5 ? 4.366 -8.642 0.730 1.00 0.00 ? 1 DA A "O4'" 7 +ATOM 3407 C "C3'" . DA A 1 5 ? 6.499 -7.707 0.576 1.00 0.00 ? 1 DA A "C3'" 7 +ATOM 3408 O "O3'" . DA A 1 5 ? 7.503 -7.628 -0.410 1.00 0.00 ? 1 DA A "O3'" 7 +ATOM 3409 C "C2'" . DA A 1 5 ? 5.463 -6.609 0.357 1.00 0.00 ? 1 DA A "C2'" 7 +ATOM 3410 C "C1'" . DA A 1 5 ? 4.156 -7.372 0.135 1.00 0.00 ? 1 DA A "C1'" 7 +ATOM 3411 N N9 . DA A 1 5 ? 2.972 -6.688 0.699 1.00 0.00 ? 1 DA A N9 7 +ATOM 3412 C C8 . DA A 1 5 ? 1.913 -7.215 1.399 1.00 0.00 ? 1 DA A C8 7 +ATOM 3413 N N7 . DA A 1 5 ? 0.962 -6.357 1.657 1.00 0.00 ? 1 DA A N7 7 +ATOM 3414 C C5 . DA A 1 5 ? 1.437 -5.168 1.088 1.00 0.00 ? 1 DA A C5 7 +ATOM 3415 C C6 . DA A 1 5 ? 0.949 -3.846 0.955 1.00 0.00 ? 1 DA A C6 7 +ATOM 3416 N N6 . DA A 1 5 ? -0.216 -3.424 1.404 1.00 0.00 ? 1 DA A N6 7 +ATOM 3417 N N1 . DA A 1 5 ? 1.642 -2.915 0.286 1.00 0.00 ? 1 DA A N1 7 +ATOM 3418 C C2 . DA A 1 5 ? 2.813 -3.261 -0.234 1.00 0.00 ? 1 DA A C2 7 +ATOM 3419 N N3 . DA A 1 5 ? 3.393 -4.455 -0.192 1.00 0.00 ? 1 DA A N3 7 +ATOM 3420 C C4 . DA A 1 5 ? 2.656 -5.368 0.499 1.00 0.00 ? 1 DA A C4 7 +ATOM 3421 H "H5'" . DA A 1 5 ? 6.143 -9.691 2.483 1.00 0.00 ? 1 DA A "H5'" 7 +ATOM 3422 H "H5''" . DA A 1 5 ? 5.643 -10.971 1.368 1.00 0.00 ? 1 DA A "H5''" 7 +ATOM 3423 H "H4'" . DA A 1 5 ? 5.796 -9.421 -0.546 1.00 0.00 ? 1 DA A "H4'" 7 +ATOM 3424 H "H3'" . DA A 1 5 ? 6.875 -7.637 1.598 1.00 0.00 ? 1 DA A "H3'" 7 +ATOM 3425 H "H2'" . DA A 1 5 ? 5.431 -5.973 1.243 1.00 0.00 ? 1 DA A "H2'" 7 +ATOM 3426 H "H2''" . DA A 1 5 ? 5.699 -5.988 -0.509 1.00 0.00 ? 1 DA A "H2''" 7 +ATOM 3427 H "H1'" . DA A 1 5 ? 3.990 -7.501 -0.938 1.00 0.00 ? 1 DA A "H1'" 7 +ATOM 3428 H H8 . DA A 1 5 ? 1.844 -8.254 1.695 1.00 0.00 ? 1 DA A H8 7 +ATOM 3429 H H61 . DA A 1 5 ? -0.427 -2.442 1.276 1.00 0.00 ? 1 DA A H61 7 +ATOM 3430 H H62 . DA A 1 5 ? -0.774 -4.034 1.974 1.00 0.00 ? 1 DA A H62 7 +ATOM 3431 H H2 . DA A 1 5 ? 3.348 -2.494 -0.770 1.00 0.00 ? 1 DA A H2 7 +ATOM 3432 H "HO5'" . DA A 1 5 ? 8.158 -9.591 1.285 1.00 0.00 ? 1 DA A "HO5'" 7 +ATOM 3433 P P . DG A 1 6 ? 9.019 -7.388 0.022 1.00 0.00 ? 2 DG A P 7 +ATOM 3434 O OP1 . DG A 1 6 ? 9.868 -7.501 -1.180 1.00 0.00 ? 2 DG A OP1 7 +ATOM 3435 O OP2 . DG A 1 6 ? 9.245 -8.277 1.187 1.00 0.00 ? 2 DG A OP2 7 +ATOM 3436 O "O5'" . DG A 1 6 ? 8.973 -5.846 0.497 1.00 0.00 ? 2 DG A "O5'" 7 +ATOM 3437 C "C5'" . DG A 1 6 ? 8.922 -5.456 1.863 1.00 0.00 ? 2 DG A "C5'" 7 +ATOM 3438 C "C4'" . DG A 1 6 ? 8.555 -3.963 1.970 1.00 0.00 ? 2 DG A "C4'" 7 +ATOM 3439 O "O4'" . DG A 1 6 ? 7.158 -3.752 1.746 1.00 0.00 ? 2 DG A "O4'" 7 +ATOM 3440 C "C3'" . DG A 1 6 ? 8.871 -3.355 3.355 1.00 0.00 ? 2 DG A "C3'" 7 +ATOM 3441 O "O3'" . DG A 1 6 ? 9.579 -2.141 3.188 1.00 0.00 ? 2 DG A "O3'" 7 +ATOM 3442 C "C2'" . DG A 1 6 ? 7.473 -3.099 3.910 1.00 0.00 ? 2 DG A "C2'" 7 +ATOM 3443 C "C1'" . DG A 1 6 ? 6.733 -2.733 2.631 1.00 0.00 ? 2 DG A "C1'" 7 +ATOM 3444 N N9 . DG A 1 6 ? 5.267 -2.747 2.817 1.00 0.00 ? 2 DG A N9 7 +ATOM 3445 C C8 . DG A 1 6 ? 4.453 -3.786 3.190 1.00 0.00 ? 2 DG A C8 7 +ATOM 3446 N N7 . DG A 1 6 ? 3.191 -3.477 3.294 1.00 0.00 ? 2 DG A N7 7 +ATOM 3447 C C5 . DG A 1 6 ? 3.168 -2.112 2.993 1.00 0.00 ? 2 DG A C5 7 +ATOM 3448 C C6 . DG A 1 6 ? 2.100 -1.154 2.967 1.00 0.00 ? 2 DG A C6 7 +ATOM 3449 O O6 . DG A 1 6 ? 0.910 -1.331 3.186 1.00 0.00 ? 2 DG A O6 7 +ATOM 3450 N N1 . DG A 1 6 ? 2.490 0.129 2.639 1.00 0.00 ? 2 DG A N1 7 +ATOM 3451 C C2 . DG A 1 6 ? 3.770 0.454 2.332 1.00 0.00 ? 2 DG A C2 7 +ATOM 3452 N N2 . DG A 1 6 ? 4.020 1.715 2.119 1.00 0.00 ? 2 DG A N2 7 +ATOM 3453 N N3 . DG A 1 6 ? 4.791 -0.397 2.350 1.00 0.00 ? 2 DG A N3 7 +ATOM 3454 C C4 . DG A 1 6 ? 4.431 -1.666 2.688 1.00 0.00 ? 2 DG A C4 7 +ATOM 3455 H "H5'" . DG A 1 6 ? 9.911 -5.620 2.294 1.00 0.00 ? 2 DG A "H5'" 7 +ATOM 3456 H "H5''" . DG A 1 6 ? 8.194 -6.034 2.434 1.00 0.00 ? 2 DG A "H5''" 7 +ATOM 3457 H "H4'" . DG A 1 6 ? 9.119 -3.422 1.206 1.00 0.00 ? 2 DG A "H4'" 7 +ATOM 3458 H "H3'" . DG A 1 6 ? 9.433 -4.049 3.986 1.00 0.00 ? 2 DG A "H3'" 7 +ATOM 3459 H "H2'" . DG A 1 6 ? 7.090 -4.022 4.344 1.00 0.00 ? 2 DG A "H2'" 7 +ATOM 3460 H "H2''" . DG A 1 6 ? 7.439 -2.305 4.654 1.00 0.00 ? 2 DG A "H2''" 7 +ATOM 3461 H "H1'" . DG A 1 6 ? 7.074 -1.762 2.261 1.00 0.00 ? 2 DG A "H1'" 7 +ATOM 3462 H H8 . DG A 1 6 ? 4.805 -4.782 3.395 1.00 0.00 ? 2 DG A H8 7 +ATOM 3463 H H1 . DG A 1 6 ? 1.756 0.829 2.649 1.00 0.00 ? 2 DG A H1 7 +ATOM 3464 H H21 . DG A 1 6 ? 3.280 2.401 2.164 1.00 0.00 ? 2 DG A H21 7 +ATOM 3465 H H22 . DG A 1 6 ? 4.993 1.945 2.024 1.00 0.00 ? 2 DG A H22 7 +ATOM 3466 P P . DG A 1 7 ? 10.109 -1.281 4.439 1.00 0.00 ? 3 DG A P 7 +ATOM 3467 O OP1 . DG A 1 7 ? 11.484 -0.838 4.127 1.00 0.00 ? 3 DG A OP1 7 +ATOM 3468 O OP2 . DG A 1 7 ? 9.842 -2.047 5.675 1.00 0.00 ? 3 DG A OP2 7 +ATOM 3469 O "O5'" . DG A 1 7 ? 9.140 0.009 4.414 1.00 0.00 ? 3 DG A "O5'" 7 +ATOM 3470 C "C5'" . DG A 1 7 ? 9.195 0.932 3.337 1.00 0.00 ? 3 DG A "C5'" 7 +ATOM 3471 C "C4'" . DG A 1 7 ? 8.334 2.189 3.565 1.00 0.00 ? 3 DG A "C4'" 7 +ATOM 3472 O "O4'" . DG A 1 7 ? 6.942 1.877 3.575 1.00 0.00 ? 3 DG A "O4'" 7 +ATOM 3473 C "C3'" . DG A 1 7 ? 8.657 2.915 4.884 1.00 0.00 ? 3 DG A "C3'" 7 +ATOM 3474 O "O3'" . DG A 1 7 ? 8.608 4.315 4.674 1.00 0.00 ? 3 DG A "O3'" 7 +ATOM 3475 C "C2'" . DG A 1 7 ? 7.505 2.464 5.775 1.00 0.00 ? 3 DG A "C2'" 7 +ATOM 3476 C "C1'" . DG A 1 7 ? 6.363 2.389 4.764 1.00 0.00 ? 3 DG A "C1'" 7 +ATOM 3477 N N9 . DG A 1 7 ? 5.276 1.490 5.202 1.00 0.00 ? 3 DG A N9 7 +ATOM 3478 C C8 . DG A 1 7 ? 5.310 0.136 5.423 1.00 0.00 ? 3 DG A C8 7 +ATOM 3479 N N7 . DG A 1 7 ? 4.153 -0.386 5.732 1.00 0.00 ? 3 DG A N7 7 +ATOM 3480 C C5 . DG A 1 7 ? 3.283 0.710 5.714 1.00 0.00 ? 3 DG A C5 7 +ATOM 3481 C C6 . DG A 1 7 ? 1.871 0.828 5.956 1.00 0.00 ? 3 DG A C6 7 +ATOM 3482 O O6 . DG A 1 7 ? 1.071 -0.044 6.267 1.00 0.00 ? 3 DG A O6 7 +ATOM 3483 N N1 . DG A 1 7 ? 1.375 2.112 5.825 1.00 0.00 ? 3 DG A N1 7 +ATOM 3484 C C2 . DG A 1 7 ? 2.144 3.162 5.450 1.00 0.00 ? 3 DG A C2 7 +ATOM 3485 N N2 . DG A 1 7 ? 1.578 4.333 5.397 1.00 0.00 ? 3 DG A N2 7 +ATOM 3486 N N3 . DG A 1 7 ? 3.449 3.100 5.221 1.00 0.00 ? 3 DG A N3 7 +ATOM 3487 C C4 . DG A 1 7 ? 3.966 1.851 5.373 1.00 0.00 ? 3 DG A C4 7 +ATOM 3488 H "H5'" . DG A 1 7 ? 8.866 0.445 2.417 1.00 0.00 ? 3 DG A "H5'" 7 +ATOM 3489 H "H5''" . DG A 1 7 ? 10.225 1.270 3.196 1.00 0.00 ? 3 DG A "H5''" 7 +ATOM 3490 H "H4'" . DG A 1 7 ? 8.547 2.849 2.719 1.00 0.00 ? 3 DG A "H4'" 7 +ATOM 3491 H "H3'" . DG A 1 7 ? 9.629 2.608 5.278 1.00 0.00 ? 3 DG A "H3'" 7 +ATOM 3492 H "H2'" . DG A 1 7 ? 7.726 1.495 6.216 1.00 0.00 ? 3 DG A "H2'" 7 +ATOM 3493 H "H2''" . DG A 1 7 ? 7.314 3.173 6.573 1.00 0.00 ? 3 DG A "H2''" 7 +ATOM 3494 H "H1'" . DG A 1 7 ? 5.980 3.397 4.582 1.00 0.00 ? 3 DG A "H1'" 7 +ATOM 3495 H H8 . DG A 1 7 ? 6.205 -0.460 5.331 1.00 0.00 ? 3 DG A H8 7 +ATOM 3496 H H1 . DG A 1 7 ? 0.385 2.231 6.012 1.00 0.00 ? 3 DG A H1 7 +ATOM 3497 H H21 . DG A 1 7 ? 0.608 4.454 5.644 1.00 0.00 ? 3 DG A H21 7 +ATOM 3498 H H22 . DG A 1 7 ? 2.198 5.096 5.194 1.00 0.00 ? 3 DG A H22 7 +ATOM 3499 P P . DA A 1 8 ? 9.003 5.362 5.831 1.00 0.00 ? 4 DA A P 7 +ATOM 3500 O OP1 . DA A 1 8 ? 9.471 6.600 5.173 1.00 0.00 ? 4 DA A OP1 7 +ATOM 3501 O OP2 . DA A 1 8 ? 9.878 4.668 6.798 1.00 0.00 ? 4 DA A OP2 7 +ATOM 3502 O "O5'" . DA A 1 8 ? 7.594 5.675 6.556 1.00 0.00 ? 4 DA A "O5'" 7 +ATOM 3503 C "C5'" . DA A 1 8 ? 6.651 6.558 5.972 1.00 0.00 ? 4 DA A "C5'" 7 +ATOM 3504 C "C4'" . DA A 1 8 ? 5.409 6.773 6.856 1.00 0.00 ? 4 DA A "C4'" 7 +ATOM 3505 O "O4'" . DA A 1 8 ? 4.539 5.648 6.891 1.00 0.00 ? 4 DA A "O4'" 7 +ATOM 3506 C "C3'" . DA A 1 8 ? 5.710 7.164 8.318 1.00 0.00 ? 4 DA A "C3'" 7 +ATOM 3507 O "O3'" . DA A 1 8 ? 5.195 8.455 8.587 1.00 0.00 ? 4 DA A "O3'" 7 +ATOM 3508 C "C2'" . DA A 1 8 ? 5.006 6.059 9.092 1.00 0.00 ? 4 DA A "C2'" 7 +ATOM 3509 C "C1'" . DA A 1 8 ? 3.885 5.659 8.144 1.00 0.00 ? 4 DA A "C1'" 7 +ATOM 3510 N N9 . DA A 1 8 ? 3.421 4.293 8.442 1.00 0.00 ? 4 DA A N9 7 +ATOM 3511 C C8 . DA A 1 8 ? 4.170 3.145 8.468 1.00 0.00 ? 4 DA A C8 7 +ATOM 3512 N N7 . DA A 1 8 ? 3.489 2.063 8.720 1.00 0.00 ? 4 DA A N7 7 +ATOM 3513 C C5 . DA A 1 8 ? 2.186 2.545 8.880 1.00 0.00 ? 4 DA A C5 7 +ATOM 3514 C C6 . DA A 1 8 ? 0.938 1.956 9.171 1.00 0.00 ? 4 DA A C6 7 +ATOM 3515 N N6 . DA A 1 8 ? 0.778 0.664 9.364 1.00 0.00 ? 4 DA A N6 7 +ATOM 3516 N N1 . DA A 1 8 ? -0.170 2.695 9.307 1.00 0.00 ? 4 DA A N1 7 +ATOM 3517 C C2 . DA A 1 8 ? -0.066 4.006 9.112 1.00 0.00 ? 4 DA A C2 7 +ATOM 3518 N N3 . DA A 1 8 ? 1.033 4.694 8.817 1.00 0.00 ? 4 DA A N3 7 +ATOM 3519 C C4 . DA A 1 8 ? 2.136 3.903 8.718 1.00 0.00 ? 4 DA A C4 7 +ATOM 3520 H "H5'" . DA A 1 8 ? 6.332 6.178 5.000 1.00 0.00 ? 4 DA A "H5'" 7 +ATOM 3521 H "H5''" . DA A 1 8 ? 7.117 7.536 5.826 1.00 0.00 ? 4 DA A "H5''" 7 +ATOM 3522 H "H4'" . DA A 1 8 ? 4.834 7.577 6.390 1.00 0.00 ? 4 DA A "H4'" 7 +ATOM 3523 H "H3'" . DA A 1 8 ? 6.771 7.092 8.550 1.00 0.00 ? 4 DA A "H3'" 7 +ATOM 3524 H "H2'" . DA A 1 8 ? 5.718 5.248 9.245 1.00 0.00 ? 4 DA A "H2'" 7 +ATOM 3525 H "H2''" . DA A 1 8 ? 4.628 6.395 10.049 1.00 0.00 ? 4 DA A "H2''" 7 +ATOM 3526 H "H1'" . DA A 1 8 ? 3.078 6.395 8.154 1.00 0.00 ? 4 DA A "H1'" 7 +ATOM 3527 H H8 . DA A 1 8 ? 5.237 3.144 8.298 1.00 0.00 ? 4 DA A H8 7 +ATOM 3528 H H61 . DA A 1 8 ? -0.147 0.338 9.592 1.00 0.00 ? 4 DA A H61 7 +ATOM 3529 H H62 . DA A 1 8 ? 1.567 0.049 9.268 1.00 0.00 ? 4 DA A H62 7 +ATOM 3530 H H2 . DA A 1 8 ? -0.974 4.578 9.215 1.00 0.00 ? 4 DA A H2 7 +ATOM 3531 P P . DT A 1 9 ? 5.477 9.218 9.974 1.00 0.00 ? 5 DT A P 7 +ATOM 3532 O OP1 . DT A 1 9 ? 5.322 10.670 9.738 1.00 0.00 ? 5 DT A OP1 7 +ATOM 3533 O OP2 . DT A 1 9 ? 6.727 8.691 10.559 1.00 0.00 ? 5 DT A OP2 7 +ATOM 3534 O "O5'" . DT A 1 9 ? 4.247 8.728 10.881 1.00 0.00 ? 5 DT A "O5'" 7 +ATOM 3535 C "C5'" . DT A 1 9 ? 2.922 9.132 10.589 1.00 0.00 ? 5 DT A "C5'" 7 +ATOM 3536 C "C4'" . DT A 1 9 ? 1.925 8.349 11.449 1.00 0.00 ? 5 DT A "C4'" 7 +ATOM 3537 O "O4'" . DT A 1 9 ? 1.910 6.964 11.146 1.00 0.00 ? 5 DT A "O4'" 7 +ATOM 3538 C "C3'" . DT A 1 9 ? 2.101 8.507 12.972 1.00 0.00 ? 5 DT A "C3'" 7 +ATOM 3539 O "O3'" . DT A 1 9 ? 0.956 9.129 13.523 1.00 0.00 ? 5 DT A "O3'" 7 +ATOM 3540 C "C2'" . DT A 1 9 ? 2.196 7.042 13.381 1.00 0.00 ? 5 DT A "C2'" 7 +ATOM 3541 C "C1'" . DT A 1 9 ? 1.353 6.372 12.290 1.00 0.00 ? 5 DT A "C1'" 7 +ATOM 3542 N N1 . DT A 1 9 ? 1.533 4.901 12.235 1.00 0.00 ? 5 DT A N1 7 +ATOM 3543 C C2 . DT A 1 9 ? 0.395 4.109 12.365 1.00 0.00 ? 5 DT A C2 7 +ATOM 3544 O O2 . DT A 1 9 ? -0.744 4.542 12.445 1.00 0.00 ? 5 DT A O2 7 +ATOM 3545 N N3 . DT A 1 9 ? 0.592 2.759 12.437 1.00 0.00 ? 5 DT A N3 7 +ATOM 3546 C C4 . DT A 1 9 ? 1.800 2.116 12.375 1.00 0.00 ? 5 DT A C4 7 +ATOM 3547 O O4 . DT A 1 9 ? 1.812 0.902 12.525 1.00 0.00 ? 5 DT A O4 7 +ATOM 3548 C C5 . DT A 1 9 ? 2.956 2.986 12.144 1.00 0.00 ? 5 DT A C5 7 +ATOM 3549 C C7 . DT A 1 9 ? 4.363 2.406 11.992 1.00 0.00 ? 5 DT A C7 7 +ATOM 3550 C C6 . DT A 1 9 ? 2.784 4.334 12.087 1.00 0.00 ? 5 DT A C6 7 +ATOM 3551 H "H5'" . DT A 1 9 ? 2.682 8.946 9.540 1.00 0.00 ? 5 DT A "H5'" 7 +ATOM 3552 H "H5''" . DT A 1 9 ? 2.807 10.199 10.792 1.00 0.00 ? 5 DT A "H5''" 7 +ATOM 3553 H "H4'" . DT A 1 9 ? 0.910 8.660 11.225 1.00 0.00 ? 5 DT A "H4'" 7 +ATOM 3554 H "H3'" . DT A 1 9 ? 3.017 9.050 13.219 1.00 0.00 ? 5 DT A "H3'" 7 +ATOM 3555 H "H2'" . DT A 1 9 ? 3.246 6.760 13.336 1.00 0.00 ? 5 DT A "H2'" 7 +ATOM 3556 H "H2''" . DT A 1 9 ? 1.837 6.871 14.389 1.00 0.00 ? 5 DT A "H2''" 7 +ATOM 3557 H "H1'" . DT A 1 9 ? 0.303 6.695 12.337 1.00 0.00 ? 5 DT A "H1'" 7 +ATOM 3558 H H3 . DT A 1 9 ? -0.234 2.208 12.633 1.00 0.00 ? 5 DT A H3 7 +ATOM 3559 H H71 . DT A 1 9 ? 4.319 1.447 11.470 1.00 0.00 ? 5 DT A H71 7 +ATOM 3560 H H72 . DT A 1 9 ? 5.011 3.069 11.416 1.00 0.00 ? 5 DT A H72 7 +ATOM 3561 H H73 . DT A 1 9 ? 4.807 2.249 12.976 1.00 0.00 ? 5 DT A H73 7 +ATOM 3562 H H6 . DT A 1 9 ? 3.641 4.975 11.926 1.00 0.00 ? 5 DT A H6 7 +ATOM 3563 P P . DC A 1 10 ? 0.867 9.552 15.070 1.00 0.00 ? 6 DC A P 7 +ATOM 3564 O OP1 . DC A 1 10 ? 0.565 10.997 15.137 1.00 0.00 ? 6 DC A OP1 7 +ATOM 3565 O OP2 . DC A 1 10 ? 2.039 9.002 15.783 1.00 0.00 ? 6 DC A OP2 7 +ATOM 3566 O "O5'" . DC A 1 10 ? -0.435 8.738 15.547 1.00 0.00 ? 6 DC A "O5'" 7 +ATOM 3567 C "C5'" . DC A 1 10 ? -1.728 9.067 15.063 1.00 0.00 ? 6 DC A "C5'" 7 +ATOM 3568 C "C4'" . DC A 1 10 ? -2.807 8.120 15.622 1.00 0.00 ? 6 DC A "C4'" 7 +ATOM 3569 O "O4'" . DC A 1 10 ? -2.583 6.792 15.161 1.00 0.00 ? 6 DC A "O4'" 7 +ATOM 3570 C "C3'" . DC A 1 10 ? -2.831 8.087 17.161 1.00 0.00 ? 6 DC A "C3'" 7 +ATOM 3571 O "O3'" . DC A 1 10 ? -4.164 7.956 17.624 1.00 0.00 ? 6 DC A "O3'" 7 +ATOM 3572 C "C2'" . DC A 1 10 ? -2.038 6.820 17.444 1.00 0.00 ? 6 DC A "C2'" 7 +ATOM 3573 C "C1'" . DC A 1 10 ? -2.475 5.933 16.280 1.00 0.00 ? 6 DC A "C1'" 7 +ATOM 3574 N N1 . DC A 1 10 ? -1.457 4.888 16.016 1.00 0.00 ? 6 DC A N1 7 +ATOM 3575 C C2 . DC A 1 10 ? -1.727 3.581 16.403 1.00 0.00 ? 6 DC A C2 7 +ATOM 3576 O O2 . DC A 1 10 ? -2.821 3.262 16.845 1.00 0.00 ? 6 DC A O2 7 +ATOM 3577 N N3 . DC A 1 10 ? -0.774 2.620 16.304 1.00 0.00 ? 6 DC A N3 7 +ATOM 3578 C C4 . DC A 1 10 ? 0.409 2.955 15.818 1.00 0.00 ? 6 DC A C4 7 +ATOM 3579 N N4 . DC A 1 10 ? 1.282 1.990 15.769 1.00 0.00 ? 6 DC A N4 7 +ATOM 3580 C C5 . DC A 1 10 ? 0.746 4.275 15.395 1.00 0.00 ? 6 DC A C5 7 +ATOM 3581 C C6 . DC A 1 10 ? -0.227 5.210 15.501 1.00 0.00 ? 6 DC A C6 7 +ATOM 3582 H "H5'" . DC A 1 10 ? -1.749 9.004 13.972 1.00 0.00 ? 6 DC A "H5'" 7 +ATOM 3583 H "H5''" . DC A 1 10 ? -1.981 10.088 15.355 1.00 0.00 ? 6 DC A "H5''" 7 +ATOM 3584 H "H4'" . DC A 1 10 ? -3.773 8.464 15.248 1.00 0.00 ? 6 DC A "H4'" 7 +ATOM 3585 H "H3'" . DC A 1 10 ? -2.352 8.978 17.575 1.00 0.00 ? 6 DC A "H3'" 7 +ATOM 3586 H "H2'" . DC A 1 10 ? -0.975 7.054 17.395 1.00 0.00 ? 6 DC A "H2'" 7 +ATOM 3587 H "H2''" . DC A 1 10 ? -2.270 6.387 18.414 1.00 0.00 ? 6 DC A "H2''" 7 +ATOM 3588 H "H1'" . DC A 1 10 ? -3.474 5.540 16.482 1.00 0.00 ? 6 DC A "H1'" 7 +ATOM 3589 H H41 . DC A 1 10 ? 0.921 1.105 16.094 1.00 0.00 ? 6 DC A H41 7 +ATOM 3590 H H42 . DC A 1 10 ? 2.211 2.134 15.426 1.00 0.00 ? 6 DC A H42 7 +ATOM 3591 H H5 . DC A 1 10 ? 1.708 4.564 14.993 1.00 0.00 ? 6 DC A H5 7 +ATOM 3592 H H6 . DC A 1 10 ? -0.031 6.220 15.171 1.00 0.00 ? 6 DC A H6 7 +ATOM 3593 P P . DC A 1 11 ? -4.527 8.085 19.186 1.00 0.00 ? 7 DC A P 7 +ATOM 3594 O OP1 . DC A 1 11 ? -5.858 8.723 19.285 1.00 0.00 ? 7 DC A OP1 7 +ATOM 3595 O OP2 . DC A 1 11 ? -3.372 8.693 19.878 1.00 0.00 ? 7 DC A OP2 7 +ATOM 3596 O "O5'" . DC A 1 11 ? -4.659 6.558 19.690 1.00 0.00 ? 7 DC A "O5'" 7 +ATOM 3597 C "C5'" . DC A 1 11 ? -5.865 5.825 19.532 1.00 0.00 ? 7 DC A "C5'" 7 +ATOM 3598 C "C4'" . DC A 1 11 ? -5.823 4.481 20.285 1.00 0.00 ? 7 DC A "C4'" 7 +ATOM 3599 O "O4'" . DC A 1 11 ? -4.948 3.559 19.636 1.00 0.00 ? 7 DC A "O4'" 7 +ATOM 3600 C "C3'" . DC A 1 11 ? -5.358 4.635 21.751 1.00 0.00 ? 7 DC A "C3'" 7 +ATOM 3601 O "O3'" . DC A 1 11 ? -6.176 3.894 22.628 1.00 0.00 ? 7 DC A "O3'" 7 +ATOM 3602 C "C2'" . DC A 1 11 ? -3.969 4.019 21.665 1.00 0.00 ? 7 DC A "C2'" 7 +ATOM 3603 C "C1'" . DC A 1 11 ? -4.192 2.917 20.638 1.00 0.00 ? 7 DC A "C1'" 7 +ATOM 3604 N N1 . DC A 1 11 ? -2.891 2.455 20.111 1.00 0.00 ? 7 DC A N1 7 +ATOM 3605 C C2 . DC A 1 11 ? -2.474 1.146 20.358 1.00 0.00 ? 7 DC A C2 7 +ATOM 3606 O O2 . DC A 1 11 ? -3.250 0.289 20.764 1.00 0.00 ? 7 DC A O2 7 +ATOM 3607 N N3 . DC A 1 11 ? -1.175 0.790 20.162 1.00 0.00 ? 7 DC A N3 7 +ATOM 3608 C C4 . DC A 1 11 ? -0.316 1.730 19.799 1.00 0.00 ? 7 DC A C4 7 +ATOM 3609 N N4 . DC A 1 11 ? 0.924 1.372 19.635 1.00 0.00 ? 7 DC A N4 7 +ATOM 3610 C C5 . DC A 1 11 ? -0.681 3.089 19.616 1.00 0.00 ? 7 DC A C5 7 +ATOM 3611 C C6 . DC A 1 11 ? -1.981 3.397 19.727 1.00 0.00 ? 7 DC A C6 7 +ATOM 3612 H "H5'" . DC A 1 11 ? -6.060 5.646 18.473 1.00 0.00 ? 7 DC A "H5'" 7 +ATOM 3613 H "H5''" . DC A 1 11 ? -6.699 6.395 19.947 1.00 0.00 ? 7 DC A "H5''" 7 +ATOM 3614 H "H4'" . DC A 1 11 ? -6.830 4.058 20.267 1.00 0.00 ? 7 DC A "H4'" 7 +ATOM 3615 H "H3'" . DC A 1 11 ? -5.327 5.686 22.051 1.00 0.00 ? 7 DC A "H3'" 7 +ATOM 3616 H "H2'" . DC A 1 11 ? -3.331 4.817 21.324 1.00 0.00 ? 7 DC A "H2'" 7 +ATOM 3617 H "H2''" . DC A 1 11 ? -3.498 3.633 22.559 1.00 0.00 ? 7 DC A "H2''" 7 +ATOM 3618 H "H1'" . DC A 1 11 ? -4.787 2.133 21.101 1.00 0.00 ? 7 DC A "H1'" 7 +ATOM 3619 H H41 . DC A 1 11 ? 1.118 0.404 19.829 1.00 0.00 ? 7 DC A H41 7 +ATOM 3620 H H42 . DC A 1 11 ? 1.615 2.035 19.348 1.00 0.00 ? 7 DC A H42 7 +ATOM 3621 H H5 . DC A 1 11 ? -0.006 3.909 19.537 1.00 0.00 ? 7 DC A H5 7 +ATOM 3622 H H6 . DC A 1 11 ? -2.280 4.423 19.573 1.00 0.00 ? 7 DC A H6 7 +ATOM 3623 P P . DT A 1 12 ? -6.008 4.024 24.219 1.00 0.00 ? 8 DT A P 7 +ATOM 3624 O OP1 . DT A 1 12 ? -7.316 4.399 24.794 1.00 0.00 ? 8 DT A OP1 7 +ATOM 3625 O OP2 . DT A 1 12 ? -4.803 4.828 24.515 1.00 0.00 ? 8 DT A OP2 7 +ATOM 3626 O "O5'" . DT A 1 12 ? -5.682 2.515 24.633 1.00 0.00 ? 8 DT A "O5'" 7 +ATOM 3627 C "C5'" . DT A 1 12 ? -6.648 1.488 24.531 1.00 0.00 ? 8 DT A "C5'" 7 +ATOM 3628 C "C4'" . DT A 1 12 ? -6.130 0.183 25.157 1.00 0.00 ? 8 DT A "C4'" 7 +ATOM 3629 O "O4'" . DT A 1 12 ? -5.023 -0.347 24.435 1.00 0.00 ? 8 DT A "O4'" 7 +ATOM 3630 C "C3'" . DT A 1 12 ? -5.656 0.362 26.611 1.00 0.00 ? 8 DT A "C3'" 7 +ATOM 3631 O "O3'" . DT A 1 12 ? -5.859 -0.898 27.239 1.00 0.00 ? 8 DT A "O3'" 7 +ATOM 3632 C "C2'" . DT A 1 12 ? -4.190 0.685 26.405 1.00 0.00 ? 8 DT A "C2'" 7 +ATOM 3633 C "C1'" . DT A 1 12 ? -3.885 -0.262 25.272 1.00 0.00 ? 8 DT A "C1'" 7 +ATOM 3634 N N1 . DT A 1 12 ? -2.693 0.072 24.472 1.00 0.00 ? 8 DT A N1 7 +ATOM 3635 C C2 . DT A 1 12 ? -1.991 -1.006 23.950 1.00 0.00 ? 8 DT A C2 7 +ATOM 3636 O O2 . DT A 1 12 ? -2.308 -2.177 24.104 1.00 0.00 ? 8 DT A O2 7 +ATOM 3637 N N3 . DT A 1 12 ? -0.835 -0.715 23.284 1.00 0.00 ? 8 DT A N3 7 +ATOM 3638 C C4 . DT A 1 12 ? -0.317 0.539 23.095 1.00 0.00 ? 8 DT A C4 7 +ATOM 3639 O O4 . DT A 1 12 ? 0.818 0.628 22.644 1.00 0.00 ? 8 DT A O4 7 +ATOM 3640 C C5 . DT A 1 12 ? -1.209 1.642 23.471 1.00 0.00 ? 8 DT A C5 7 +ATOM 3641 C C7 . DT A 1 12 ? -0.800 3.096 23.236 1.00 0.00 ? 8 DT A C7 7 +ATOM 3642 C C6 . DT A 1 12 ? -2.370 1.372 24.133 1.00 0.00 ? 8 DT A C6 7 +ATOM 3643 H "H5'" . DT A 1 12 ? -6.897 1.310 23.483 1.00 0.00 ? 8 DT A "H5'" 7 +ATOM 3644 H "H5''" . DT A 1 12 ? -7.558 1.775 25.063 1.00 0.00 ? 8 DT A "H5''" 7 +ATOM 3645 H "H4'" . DT A 1 12 ? -6.951 -0.536 25.112 1.00 0.00 ? 8 DT A "H4'" 7 +ATOM 3646 H "H3'" . DT A 1 12 ? -6.104 1.211 27.117 1.00 0.00 ? 8 DT A "H3'" 7 +ATOM 3647 H "H2'" . DT A 1 12 ? -4.030 1.725 26.163 1.00 0.00 ? 8 DT A "H2'" 7 +ATOM 3648 H "H2''" . DT A 1 12 ? -3.599 0.461 27.265 1.00 0.00 ? 8 DT A "H2''" 7 +ATOM 3649 H "H1'" . DT A 1 12 ? -3.741 -1.182 25.840 1.00 0.00 ? 8 DT A "H1'" 7 +ATOM 3650 H H3 . DT A 1 12 ? -0.277 -1.507 23.008 1.00 0.00 ? 8 DT A H3 7 +ATOM 3651 H H71 . DT A 1 12 ? -1.070 3.717 24.093 1.00 0.00 ? 8 DT A H71 7 +ATOM 3652 H H72 . DT A 1 12 ? 0.278 3.162 23.095 1.00 0.00 ? 8 DT A H72 7 +ATOM 3653 H H73 . DT A 1 12 ? -1.279 3.498 22.348 1.00 0.00 ? 8 DT A H73 7 +ATOM 3654 H H6 . DT A 1 12 ? -3.054 2.178 24.396 1.00 0.00 ? 8 DT A H6 7 +ATOM 3655 P P . DT A 1 13 ? -5.589 -1.179 28.793 1.00 0.00 ? 9 DT A P 7 +ATOM 3656 O OP1 . DT A 1 13 ? -6.096 -2.533 29.099 1.00 0.00 ? 9 DT A OP1 7 +ATOM 3657 O OP2 . DT A 1 13 ? -6.107 -0.021 29.547 1.00 0.00 ? 9 DT A OP2 7 +ATOM 3658 O "O5'" . DT A 1 13 ? -3.975 -1.220 28.898 1.00 0.00 ? 9 DT A "O5'" 7 +ATOM 3659 C "C5'" . DT A 1 13 ? -3.237 -2.324 28.387 1.00 0.00 ? 9 DT A "C5'" 7 +ATOM 3660 C "C4'" . DT A 1 13 ? -1.728 -2.028 28.252 1.00 0.00 ? 9 DT A "C4'" 7 +ATOM 3661 O "O4'" . DT A 1 13 ? -1.442 -0.883 27.434 1.00 0.00 ? 9 DT A "O4'" 7 +ATOM 3662 C "C3'" . DT A 1 13 ? -1.067 -1.837 29.622 1.00 0.00 ? 9 DT A "C3'" 7 +ATOM 3663 O "O3'" . DT A 1 13 ? -0.467 -3.018 30.099 1.00 0.00 ? 9 DT A "O3'" 7 +ATOM 3664 C "C2'" . DT A 1 13 ? 0.021 -0.828 29.271 1.00 0.00 ? 9 DT A "C2'" 7 +ATOM 3665 C "C1'" . DT A 1 13 ? -0.501 -0.035 28.077 1.00 0.00 ? 9 DT A "C1'" 7 +ATOM 3666 N N1 . DT A 1 13 ? -1.157 1.252 28.384 1.00 0.00 ? 9 DT A N1 7 +ATOM 3667 C C2 . DT A 1 13 ? -1.209 2.201 27.362 1.00 0.00 ? 9 DT A C2 7 +ATOM 3668 O O2 . DT A 1 13 ? -0.492 2.177 26.374 1.00 0.00 ? 9 DT A O2 7 +ATOM 3669 N N3 . DT A 1 13 ? -2.104 3.230 27.504 1.00 0.00 ? 9 DT A N3 7 +ATOM 3670 C C4 . DT A 1 13 ? -2.955 3.402 28.567 1.00 0.00 ? 9 DT A C4 7 +ATOM 3671 O O4 . DT A 1 13 ? -3.682 4.386 28.570 1.00 0.00 ? 9 DT A O4 7 +ATOM 3672 C C5 . DT A 1 13 ? -2.859 2.377 29.607 1.00 0.00 ? 9 DT A C5 7 +ATOM 3673 C C7 . DT A 1 13 ? -3.903 2.247 30.701 1.00 0.00 ? 9 DT A C7 7 +ATOM 3674 C C6 . DT A 1 13 ? -1.974 1.355 29.477 1.00 0.00 ? 9 DT A C6 7 +ATOM 3675 H "H5'" . DT A 1 13 ? -3.610 -2.632 27.411 1.00 0.00 ? 9 DT A "H5'" 7 +ATOM 3676 H "H5''" . DT A 1 13 ? -3.363 -3.173 29.062 1.00 0.00 ? 9 DT A "H5''" 7 +ATOM 3677 H "H4'" . DT A 1 13 ? -1.263 -2.886 27.765 1.00 0.00 ? 9 DT A "H4'" 7 +ATOM 3678 H "H3'" . DT A 1 13 ? -1.794 -1.467 30.344 1.00 0.00 ? 9 DT A "H3'" 7 +ATOM 3679 H "H2'" . DT A 1 13 ? 0.355 -0.238 30.113 1.00 0.00 ? 9 DT A "H2'" 7 +ATOM 3680 H "H2''" . DT A 1 13 ? 0.882 -1.383 28.926 1.00 0.00 ? 9 DT A "H2''" 7 +ATOM 3681 H "H1'" . DT A 1 13 ? 0.354 0.201 27.444 1.00 0.00 ? 9 DT A "H1'" 7 +ATOM 3682 H H3 . DT A 1 13 ? -2.192 3.884 26.750 1.00 0.00 ? 9 DT A H3 7 +ATOM 3683 H H71 . DT A 1 13 ? -4.589 3.097 30.719 1.00 0.00 ? 9 DT A H71 7 +ATOM 3684 H H72 . DT A 1 13 ? -4.465 1.345 30.438 1.00 0.00 ? 9 DT A H72 7 +ATOM 3685 H H73 . DT A 1 13 ? -3.445 2.123 31.683 1.00 0.00 ? 9 DT A H73 7 +ATOM 3686 H H6 . DT A 1 13 ? -1.923 0.575 30.216 1.00 0.00 ? 9 DT A H6 7 +ATOM 3687 P P . DT A 1 14 B 0.146 -3.078 31.581 1.00 0.00 ? 1 DT A P 7 +ATOM 3688 O OP1 . DT A 1 14 B -0.966 -2.969 32.547 1.00 0.00 ? 1 DT A OP1 7 +ATOM 3689 O OP2 . DT A 1 14 B 1.284 -2.136 31.659 1.00 0.00 ? 1 DT A OP2 7 +ATOM 3690 O "O5'" . DT A 1 14 B 0.729 -4.570 31.629 1.00 0.00 ? 1 DT A "O5'" 7 +ATOM 3691 C "C5'" . DT A 1 14 B 1.877 -4.934 30.881 1.00 0.00 ? 1 DT A "C5'" 7 +ATOM 3692 C "C4'" . DT A 1 14 B 1.605 -6.204 30.059 1.00 0.00 ? 1 DT A "C4'" 7 +ATOM 3693 O "O4'" . DT A 1 14 B 0.691 -5.931 28.992 1.00 0.00 ? 1 DT A "O4'" 7 +ATOM 3694 C "C3'" . DT A 1 14 B 2.909 -6.711 29.422 1.00 0.00 ? 1 DT A "C3'" 7 +ATOM 3695 O "O3'" . DT A 1 14 B 2.915 -8.128 29.471 1.00 0.00 ? 1 DT A "O3'" 7 +ATOM 3696 C "C2'" . DT A 1 14 B 2.789 -6.111 28.029 1.00 0.00 ? 1 DT A "C2'" 7 +ATOM 3697 C "C1'" . DT A 1 14 B 1.304 -6.261 27.760 1.00 0.00 ? 1 DT A "C1'" 7 +ATOM 3698 N N1 . DT A 1 14 B 0.858 -5.336 26.688 1.00 0.00 ? 1 DT A N1 7 +ATOM 3699 C C2 . DT A 1 14 B 0.200 -5.891 25.592 1.00 0.00 ? 1 DT A C2 7 +ATOM 3700 O O2 . DT A 1 14 B -0.266 -7.021 25.557 1.00 0.00 ? 1 DT A O2 7 +ATOM 3701 N N3 . DT A 1 14 B 0.053 -5.088 24.492 1.00 0.00 ? 1 DT A N3 7 +ATOM 3702 C C4 . DT A 1 14 B 0.413 -3.767 24.417 1.00 0.00 ? 1 DT A C4 7 +ATOM 3703 O O4 . DT A 1 14 B 0.307 -3.205 23.334 1.00 0.00 ? 1 DT A O4 7 +ATOM 3704 C C5 . DT A 1 14 B 0.912 -3.179 25.664 1.00 0.00 ? 1 DT A C5 7 +ATOM 3705 C C7 . DT A 1 14 B 1.210 -1.678 25.734 1.00 0.00 ? 1 DT A C7 7 +ATOM 3706 C C6 . DT A 1 14 B 1.120 -3.978 26.753 1.00 0.00 ? 1 DT A C6 7 +ATOM 3707 H "H5'" . DT A 1 14 B 2.674 -5.130 31.598 1.00 0.00 ? 1 DT A "H5'" 7 +ATOM 3708 H "H5''" . DT A 1 14 B 2.218 -4.146 30.203 1.00 0.00 ? 1 DT A "H5''" 7 +ATOM 3709 H "H4'" . DT A 1 14 B 1.183 -6.961 30.723 1.00 0.00 ? 1 DT A "H4'" 7 +ATOM 3710 H "H3'" . DT A 1 14 B 3.793 -6.296 29.905 1.00 0.00 ? 1 DT A "H3'" 7 +ATOM 3711 H "H2'" . DT A 1 14 B 3.114 -5.074 28.072 1.00 0.00 ? 1 DT A "H2'" 7 +ATOM 3712 H "H2''" . DT A 1 14 B 3.365 -6.641 27.284 1.00 0.00 ? 1 DT A "H2''" 7 +ATOM 3713 H "H1'" . DT A 1 14 B 1.151 -7.313 27.511 1.00 0.00 ? 1 DT A "H1'" 7 +ATOM 3714 H H3 . DT A 1 14 B -0.401 -5.481 23.692 1.00 0.00 ? 1 DT A H3 7 +ATOM 3715 H H71 . DT A 1 14 B 1.806 -1.431 26.614 1.00 0.00 ? 1 DT A H71 7 +ATOM 3716 H H72 . DT A 1 14 B 0.273 -1.102 25.749 1.00 0.00 ? 1 DT A H72 7 +ATOM 3717 H H73 . DT A 1 14 B 1.776 -1.374 24.852 1.00 0.00 ? 1 DT A H73 7 +ATOM 3718 H H6 . DT A 1 14 B 1.497 -3.575 27.696 1.00 0.00 ? 1 DT A H6 7 +ATOM 3719 P P . DU A 1 15 B 3.908 -9.020 28.585 1.00 0.00 ? 2 DU A P 7 +ATOM 3720 O OP1 . DU A 1 15 B 3.960 -10.393 29.129 1.00 0.00 ? 2 DU A OP1 7 +ATOM 3721 O OP2 . DU A 1 15 B 5.154 -8.263 28.341 1.00 0.00 ? 2 DU A OP2 7 +ATOM 3722 O "O5'" . DU A 1 15 B 3.069 -9.056 27.222 1.00 0.00 ? 2 DU A "O5'" 7 +ATOM 3723 C "C5'" . DU A 1 15 B 3.580 -9.637 26.046 1.00 0.00 ? 2 DU A "C5'" 7 +ATOM 3724 C "C4'" . DU A 1 15 B 2.721 -9.200 24.835 1.00 0.00 ? 2 DU A "C4'" 7 +ATOM 3725 O "O4'" . DU A 1 15 B 2.399 -7.807 24.770 1.00 0.00 ? 2 DU A "O4'" 7 +ATOM 3726 C "C3'" . DU A 1 15 B 3.270 -9.619 23.466 1.00 0.00 ? 2 DU A "C3'" 7 +ATOM 3727 O "O3'" . DU A 1 15 B 2.336 -10.522 22.845 1.00 0.00 ? 2 DU A "O3'" 7 +ATOM 3728 C "C2'" . DU A 1 15 B 3.436 -8.297 22.693 1.00 0.00 ? 2 DU A "C2'" 7 +ATOM 3729 C "C1'" . DU A 1 15 B 2.822 -7.196 23.551 1.00 0.00 ? 2 DU A "C1'" 7 +ATOM 3730 N N1 . DU A 1 15 B 3.762 -6.160 23.928 1.00 0.00 ? 2 DU A N1 7 +ATOM 3731 C C2 . DU A 1 15 B 3.648 -4.840 23.694 1.00 0.00 ? 2 DU A C2 7 +ATOM 3732 O O2 . DU A 1 15 B 2.938 -4.376 22.816 1.00 0.00 ? 2 DU A O2 7 +ATOM 3733 N N3 . DU A 1 15 B 4.274 -3.945 24.536 1.00 0.00 ? 2 DU A N3 7 +ATOM 3734 C C4 . DU A 1 15 B 4.945 -4.299 25.688 1.00 0.00 ? 2 DU A C4 7 +ATOM 3735 O O4 . DU A 1 15 B 5.289 -3.418 26.463 1.00 0.00 ? 2 DU A O4 7 +ATOM 3736 C C5 . DU A 1 15 B 5.192 -5.723 25.826 1.00 0.00 ? 2 DU A C5 7 +ATOM 3737 C C6 . DU A 1 15 B 4.731 -6.595 24.920 1.00 0.00 ? 2 DU A C6 7 +ATOM 3738 H "H5'" . DU A 1 15 B 3.507 -10.722 26.140 1.00 0.00 ? 2 DU A "H5'" 7 +ATOM 3739 H "H5''" . DU A 1 15 B 4.631 -9.401 25.899 1.00 0.00 ? 2 DU A "H5''" 7 +ATOM 3740 H "H4'" . DU A 1 15 B 1.758 -9.627 25.048 1.00 0.00 ? 2 DU A "H4'" 7 +ATOM 3741 H "H3'" . DU A 1 15 B 4.249 -10.104 23.614 1.00 0.00 ? 2 DU A "H3'" 7 +ATOM 3742 H "H2'" . DU A 1 15 B 4.503 -8.105 22.510 1.00 0.00 ? 2 DU A "H2'" 7 +ATOM 3743 H "H2''" . DU A 1 15 B 2.919 -8.326 21.731 1.00 0.00 ? 2 DU A "H2''" 7 +ATOM 3744 H "H1'" . DU A 1 15 B 1.930 -6.780 23.061 1.00 0.00 ? 2 DU A "H1'" 7 +ATOM 3745 H H3 . DU A 1 15 B 4.085 -2.973 24.388 1.00 0.00 ? 2 DU A H3 7 +ATOM 3746 H H5 . DU A 1 15 B 5.646 -6.211 26.665 1.00 0.00 ? 2 DU A H5 7 +ATOM 3747 H H6 . DU A 1 15 B 5.010 -7.626 24.991 1.00 0.00 ? 2 DU A H6 7 +ATOM 3748 P P . DG A 1 16 B 2.904 -11.205 21.484 1.00 0.00 ? 3 DG A P 7 +ATOM 3749 O OP1 . DG A 1 16 B 2.040 -12.360 21.162 1.00 0.00 ? 3 DG A OP1 7 +ATOM 3750 O OP2 . DG A 1 16 B 4.360 -11.415 21.651 1.00 0.00 ? 3 DG A OP2 7 +ATOM 3751 O "O5'" . DG A 1 16 B 2.703 -10.103 20.322 1.00 0.00 ? 3 DG A "O5'" 7 +ATOM 3752 C "C5'" . DG A 1 16 B 1.480 -9.934 19.617 1.00 0.00 ? 3 DG A "C5'" 7 +ATOM 3753 C "C4'" . DG A 1 16 B 0.312 -9.362 20.452 1.00 0.00 ? 3 DG A "C4'" 7 +ATOM 3754 O "O4'" . DG A 1 16 B 0.659 -8.085 20.985 1.00 0.00 ? 3 DG A "O4'" 7 +ATOM 3755 C "C3'" . DG A 1 16 B -0.917 -9.146 19.547 1.00 0.00 ? 3 DG A "C3'" 7 +ATOM 3756 O "O3'" . DG A 1 16 B -2.116 -9.323 20.278 1.00 0.00 ? 3 DG A "O3'" 7 +ATOM 3757 C "C2'" . DG A 1 16 B -0.748 -7.683 19.164 1.00 0.00 ? 3 DG A "C2'" 7 +ATOM 3758 C "C1'" . DG A 1 16 B -0.225 -7.104 20.473 1.00 0.00 ? 3 DG A "C1'" 7 +ATOM 3759 N N9 . DG A 1 16 B 0.506 -5.844 20.242 1.00 0.00 ? 3 DG A N9 7 +ATOM 3760 C C8 . DG A 1 16 B 1.777 -5.675 19.758 1.00 0.00 ? 3 DG A C8 7 +ATOM 3761 N N7 . DG A 1 16 B 2.143 -4.431 19.626 1.00 0.00 ? 3 DG A N7 7 +ATOM 3762 C C5 . DG A 1 16 B 1.013 -3.715 20.042 1.00 0.00 ? 3 DG A C5 7 +ATOM 3763 C C6 . DG A 1 16 B 0.732 -2.309 20.093 1.00 0.00 ? 3 DG A C6 7 +ATOM 3764 O O6 . DG A 1 16 B 1.482 -1.373 19.853 1.00 0.00 ? 3 DG A O6 7 +ATOM 3765 N N1 . DG A 1 16 B -0.565 -1.995 20.454 1.00 0.00 ? 3 DG A N1 7 +ATOM 3766 C C2 . DG A 1 16 B -1.483 -2.935 20.787 1.00 0.00 ? 3 DG A C2 7 +ATOM 3767 N N2 . DG A 1 16 B -2.704 -2.511 20.957 1.00 0.00 ? 3 DG A N2 7 +ATOM 3768 N N3 . DG A 1 16 B -1.266 -4.248 20.765 1.00 0.00 ? 3 DG A N3 7 +ATOM 3769 C C4 . DG A 1 16 B 0.002 -4.577 20.393 1.00 0.00 ? 3 DG A C4 7 +ATOM 3770 H "H5'" . DG A 1 16 B 1.180 -10.885 19.172 1.00 0.00 ? 3 DG A "H5'" 7 +ATOM 3771 H "H5''" . DG A 1 16 B 1.690 -9.244 18.799 1.00 0.00 ? 3 DG A "H5''" 7 +ATOM 3772 H "H4'" . DG A 1 16 B 0.067 -10.058 21.256 1.00 0.00 ? 3 DG A "H4'" 7 +ATOM 3773 H "H3'" . DG A 1 16 B -0.874 -9.804 18.675 1.00 0.00 ? 3 DG A "H3'" 7 +ATOM 3774 H "H2'" . DG A 1 16 B -0.006 -7.596 18.370 1.00 0.00 ? 3 DG A "H2'" 7 +ATOM 3775 H "H2''" . DG A 1 16 B -1.677 -7.211 18.855 1.00 0.00 ? 3 DG A "H2''" 7 +ATOM 3776 H "H1'" . DG A 1 16 B -1.046 -6.966 21.180 1.00 0.00 ? 3 DG A "H1'" 7 +ATOM 3777 H H8 . DG A 1 16 B 2.420 -6.499 19.488 1.00 0.00 ? 3 DG A H8 7 +ATOM 3778 H H1 . DG A 1 16 B -0.824 -1.015 20.440 1.00 0.00 ? 3 DG A H1 7 +ATOM 3779 H H21 . DG A 1 16 B -2.931 -1.530 20.889 1.00 0.00 ? 3 DG A H21 7 +ATOM 3780 H H22 . DG A 1 16 B -3.390 -3.236 21.072 1.00 0.00 ? 3 DG A H22 7 +ATOM 3781 P P . DG A 1 17 B -3.534 -9.496 19.533 1.00 0.00 ? 4 DG A P 7 +ATOM 3782 O OP1 . DG A 1 17 B -4.484 -10.079 20.505 1.00 0.00 ? 4 DG A OP1 7 +ATOM 3783 O OP2 . DG A 1 17 B -3.285 -10.190 18.252 1.00 0.00 ? 4 DG A OP2 7 +ATOM 3784 O "O5'" . DG A 1 17 B -4.015 -7.992 19.199 1.00 0.00 ? 4 DG A "O5'" 7 +ATOM 3785 C "C5'" . DG A 1 17 B -4.746 -7.218 20.138 1.00 0.00 ? 4 DG A "C5'" 7 +ATOM 3786 C "C4'" . DG A 1 17 B -5.220 -5.871 19.557 1.00 0.00 ? 4 DG A "C4'" 7 +ATOM 3787 O "O4'" . DG A 1 17 B -4.158 -4.916 19.493 1.00 0.00 ? 4 DG A "O4'" 7 +ATOM 3788 C "C3'" . DG A 1 17 B -5.807 -5.990 18.132 1.00 0.00 ? 4 DG A "C3'" 7 +ATOM 3789 O "O3'" . DG A 1 17 B -6.949 -5.154 18.028 1.00 0.00 ? 4 DG A "O3'" 7 +ATOM 3790 C "C2'" . DG A 1 17 B -4.647 -5.426 17.319 1.00 0.00 ? 4 DG A "C2'" 7 +ATOM 3791 C "C1'" . DG A 1 17 B -4.236 -4.278 18.231 1.00 0.00 ? 4 DG A "C1'" 7 +ATOM 3792 N N9 . DG A 1 17 B -2.953 -3.660 17.846 1.00 0.00 ? 4 DG A N9 7 +ATOM 3793 C C8 . DG A 1 17 B -1.751 -4.251 17.566 1.00 0.00 ? 4 DG A C8 7 +ATOM 3794 N N7 . DG A 1 17 B -0.800 -3.414 17.249 1.00 0.00 ? 4 DG A N7 7 +ATOM 3795 C C5 . DG A 1 17 B -1.432 -2.165 17.298 1.00 0.00 ? 4 DG A C5 7 +ATOM 3796 C C6 . DG A 1 17 B -0.972 -0.830 17.023 1.00 0.00 ? 4 DG A C6 7 +ATOM 3797 O O6 . DG A 1 17 B 0.148 -0.453 16.703 1.00 0.00 ? 4 DG A O6 7 +ATOM 3798 N N1 . DG A 1 17 B -1.952 0.142 17.115 1.00 0.00 ? 4 DG A N1 7 +ATOM 3799 C C2 . DG A 1 17 B -3.228 -0.133 17.480 1.00 0.00 ? 4 DG A C2 7 +ATOM 3800 N N2 . DG A 1 17 B -4.084 0.848 17.465 1.00 0.00 ? 4 DG A N2 7 +ATOM 3801 N N3 . DG A 1 17 B -3.692 -1.343 17.753 1.00 0.00 ? 4 DG A N3 7 +ATOM 3802 C C4 . DG A 1 17 B -2.753 -2.320 17.642 1.00 0.00 ? 4 DG A C4 7 +ATOM 3803 H "H5'" . DG A 1 17 B -4.143 -7.037 21.031 1.00 0.00 ? 4 DG A "H5'" 7 +ATOM 3804 H "H5''" . DG A 1 17 B -5.641 -7.771 20.432 1.00 0.00 ? 4 DG A "H5''" 7 +ATOM 3805 H "H4'" . DG A 1 17 B -5.983 -5.490 20.241 1.00 0.00 ? 4 DG A "H4'" 7 +ATOM 3806 H "H3'" . DG A 1 17 B -6.046 -7.022 17.862 1.00 0.00 ? 4 DG A "H3'" 7 +ATOM 3807 H "H2'" . DG A 1 17 B -3.856 -6.170 17.252 1.00 0.00 ? 4 DG A "H2'" 7 +ATOM 3808 H "H2''" . DG A 1 17 B -4.929 -5.126 16.318 1.00 0.00 ? 4 DG A "H2''" 7 +ATOM 3809 H "H1'" . DG A 1 17 B -5.022 -3.519 18.242 1.00 0.00 ? 4 DG A "H1'" 7 +ATOM 3810 H H8 . DG A 1 17 B -1.602 -5.318 17.604 1.00 0.00 ? 4 DG A H8 7 +ATOM 3811 H H1 . DG A 1 17 B -1.663 1.089 16.890 1.00 0.00 ? 4 DG A H1 7 +ATOM 3812 H H21 . DG A 1 17 B -3.803 1.784 17.218 1.00 0.00 ? 4 DG A H21 7 +ATOM 3813 H H22 . DG A 1 17 B -5.037 0.580 17.640 1.00 0.00 ? 4 DG A H22 7 +ATOM 3814 P P . DA A 1 18 B -7.814 -5.021 16.675 1.00 0.00 ? 5 DA A P 7 +ATOM 3815 O OP1 . DA A 1 18 B -9.238 -5.173 17.039 1.00 0.00 ? 5 DA A OP1 7 +ATOM 3816 O OP2 . DA A 1 18 B -7.223 -5.904 15.647 1.00 0.00 ? 5 DA A OP2 7 +ATOM 3817 O "O5'" . DA A 1 18 B -7.572 -3.487 16.219 1.00 0.00 ? 5 DA A "O5'" 7 +ATOM 3818 C "C5'" . DA A 1 18 B -8.130 -2.407 16.957 1.00 0.00 ? 5 DA A "C5'" 7 +ATOM 3819 C "C4'" . DA A 1 18 B -7.992 -1.046 16.244 1.00 0.00 ? 5 DA A "C4'" 7 +ATOM 3820 O "O4'" . DA A 1 18 B -6.634 -0.617 16.181 1.00 0.00 ? 5 DA A "O4'" 7 +ATOM 3821 C "C3'" . DA A 1 18 B -8.555 -1.044 14.811 1.00 0.00 ? 5 DA A "C3'" 7 +ATOM 3822 O "O3'" . DA A 1 18 B -9.321 0.125 14.580 1.00 0.00 ? 5 DA A "O3'" 7 +ATOM 3823 C "C2'" . DA A 1 18 B -7.286 -1.053 13.983 1.00 0.00 ? 5 DA A "C2'" 7 +ATOM 3824 C "C1'" . DA A 1 18 B -6.333 -0.237 14.851 1.00 0.00 ? 5 DA A "C1'" 7 +ATOM 3825 N N9 . DA A 1 18 B -4.939 -0.625 14.581 1.00 0.00 ? 5 DA A N9 7 +ATOM 3826 C C8 . DA A 1 18 B -4.390 -1.873 14.702 1.00 0.00 ? 5 DA A C8 7 +ATOM 3827 N N7 . DA A 1 18 B -3.119 -1.937 14.415 1.00 0.00 ? 5 DA A N7 7 +ATOM 3828 C C5 . DA A 1 18 B -2.808 -0.613 14.087 1.00 0.00 ? 5 DA A C5 7 +ATOM 3829 C C6 . DA A 1 18 B -1.637 0.064 13.685 1.00 0.00 ? 5 DA A C6 7 +ATOM 3830 N N6 . DA A 1 18 B -0.466 -0.519 13.532 1.00 0.00 ? 5 DA A N6 7 +ATOM 3831 N N1 . DA A 1 18 B -1.653 1.374 13.409 1.00 0.00 ? 5 DA A N1 7 +ATOM 3832 C C2 . DA A 1 18 B -2.800 2.028 13.560 1.00 0.00 ? 5 DA A C2 7 +ATOM 3833 N N3 . DA A 1 18 B -3.972 1.528 13.936 1.00 0.00 ? 5 DA A N3 7 +ATOM 3834 C C4 . DA A 1 18 B -3.911 0.192 14.188 1.00 0.00 ? 5 DA A C4 7 +ATOM 3835 H "H5'" . DA A 1 18 B -7.651 -2.346 17.936 1.00 0.00 ? 5 DA A "H5'" 7 +ATOM 3836 H "H5''" . DA A 1 18 B -9.198 -2.578 17.108 1.00 0.00 ? 5 DA A "H5''" 7 +ATOM 3837 H "H4'" . DA A 1 18 B -8.539 -0.316 16.844 1.00 0.00 ? 5 DA A "H4'" 7 +ATOM 3838 H "H3'" . DA A 1 18 B -9.129 -1.946 14.601 1.00 0.00 ? 5 DA A "H3'" 7 +ATOM 3839 H "H2'" . DA A 1 18 B -6.961 -2.089 13.879 1.00 0.00 ? 5 DA A "H2'" 7 +ATOM 3840 H "H2''" . DA A 1 18 B -7.448 -0.619 13.003 1.00 0.00 ? 5 DA A "H2''" 7 +ATOM 3841 H "H1'" . DA A 1 18 B -6.512 0.833 14.720 1.00 0.00 ? 5 DA A "H1'" 7 +ATOM 3842 H H8 . DA A 1 18 B -4.981 -2.725 14.999 1.00 0.00 ? 5 DA A H8 7 +ATOM 3843 H H61 . DA A 1 18 B 0.308 0.052 13.229 1.00 0.00 ? 5 DA A H61 7 +ATOM 3844 H H62 . DA A 1 18 B -0.371 -1.494 13.758 1.00 0.00 ? 5 DA A H62 7 +ATOM 3845 H H2 . DA A 1 18 B -2.785 3.083 13.340 1.00 0.00 ? 5 DA A H2 7 +ATOM 3846 P P . DT A 1 19 B -10.136 0.351 13.209 1.00 0.00 ? 6 DT A P 7 +ATOM 3847 O OP1 . DT A 1 19 B -11.360 1.116 13.528 1.00 0.00 ? 6 DT A OP1 7 +ATOM 3848 O OP2 . DT A 1 19 B -10.240 -0.946 12.507 1.00 0.00 ? 6 DT A OP2 7 +ATOM 3849 O "O5'" . DT A 1 19 B -9.157 1.304 12.356 1.00 0.00 ? 6 DT A "O5'" 7 +ATOM 3850 C "C5'" . DT A 1 19 B -9.002 2.672 12.691 1.00 0.00 ? 6 DT A "C5'" 7 +ATOM 3851 C "C4'" . DT A 1 19 B -8.018 3.387 11.751 1.00 0.00 ? 6 DT A "C4'" 7 +ATOM 3852 O "O4'" . DT A 1 19 B -6.697 2.876 11.904 1.00 0.00 ? 6 DT A "O4'" 7 +ATOM 3853 C "C3'" . DT A 1 19 B -8.386 3.292 10.254 1.00 0.00 ? 6 DT A "C3'" 7 +ATOM 3854 O "O3'" . DT A 1 19 B -8.412 4.580 9.666 1.00 0.00 ? 6 DT A "O3'" 7 +ATOM 3855 C "C2'" . DT A 1 19 B -7.231 2.458 9.706 1.00 0.00 ? 6 DT A "C2'" 7 +ATOM 3856 C "C1'" . DT A 1 19 B -6.096 2.885 10.629 1.00 0.00 ? 6 DT A "C1'" 7 +ATOM 3857 N N1 . DT A 1 19 B -4.935 1.956 10.607 1.00 0.00 ? 6 DT A N1 7 +ATOM 3858 C C2 . DT A 1 19 B -3.685 2.495 10.302 1.00 0.00 ? 6 DT A C2 7 +ATOM 3859 O O2 . DT A 1 19 B -3.478 3.672 10.056 1.00 0.00 ? 6 DT A O2 7 +ATOM 3860 N N3 . DT A 1 19 B -2.630 1.624 10.245 1.00 0.00 ? 6 DT A N3 7 +ATOM 3861 C C4 . DT A 1 19 B -2.704 0.268 10.426 1.00 0.00 ? 6 DT A C4 7 +ATOM 3862 O O4 . DT A 1 19 B -1.690 -0.394 10.259 1.00 0.00 ? 6 DT A O4 7 +ATOM 3863 C C5 . DT A 1 19 B -4.024 -0.247 10.788 1.00 0.00 ? 6 DT A C5 7 +ATOM 3864 C C7 . DT A 1 19 B -4.262 -1.744 10.990 1.00 0.00 ? 6 DT A C7 7 +ATOM 3865 C C6 . DT A 1 19 B -5.080 0.605 10.876 1.00 0.00 ? 6 DT A C6 7 +ATOM 3866 H "H5'" . DT A 1 19 B -8.635 2.767 13.716 1.00 0.00 ? 6 DT A "H5'" 7 +ATOM 3867 H "H5''" . DT A 1 19 B -9.966 3.181 12.618 1.00 0.00 ? 6 DT A "H5''" 7 +ATOM 3868 H "H4'" . DT A 1 19 B -7.996 4.438 12.045 1.00 0.00 ? 6 DT A "H4'" 7 +ATOM 3869 H "H3'" . DT A 1 19 B -9.346 2.787 10.116 1.00 0.00 ? 6 DT A "H3'" 7 +ATOM 3870 H "H2'" . DT A 1 19 B -7.491 1.414 9.832 1.00 0.00 ? 6 DT A "H2'" 7 +ATOM 3871 H "H2''" . DT A 1 19 B -7.014 2.653 8.658 1.00 0.00 ? 6 DT A "H2''" 7 +ATOM 3872 H "H1'" . DT A 1 19 B -5.839 3.911 10.372 1.00 0.00 ? 6 DT A "H1'" 7 +ATOM 3873 H H3 . DT A 1 19 B -1.736 2.025 9.986 1.00 0.00 ? 6 DT A H3 7 +ATOM 3874 H H71 . DT A 1 19 B -3.320 -2.296 10.990 1.00 0.00 ? 6 DT A H71 7 +ATOM 3875 H H72 . DT A 1 19 B -4.761 -1.937 11.939 1.00 0.00 ? 6 DT A H72 7 +ATOM 3876 H H73 . DT A 1 19 B -4.888 -2.133 10.185 1.00 0.00 ? 6 DT A H73 7 +ATOM 3877 H H6 . DT A 1 19 B -6.040 0.205 11.178 1.00 0.00 ? 6 DT A H6 7 +ATOM 3878 P P . DC A 1 20 B -8.838 4.803 8.128 1.00 0.00 ? 7 DC A P 7 +ATOM 3879 O OP1 . DC A 1 20 B -9.659 6.030 8.054 1.00 0.00 ? 7 DC A OP1 7 +ATOM 3880 O OP2 . DC A 1 20 B -9.363 3.529 7.593 1.00 0.00 ? 7 DC A OP2 7 +ATOM 3881 O "O5'" . DC A 1 20 B -7.426 5.100 7.413 1.00 0.00 ? 7 DC A "O5'" 7 +ATOM 3882 C "C5'" . DC A 1 20 B -6.758 6.335 7.614 1.00 0.00 ? 7 DC A "C5'" 7 +ATOM 3883 C "C4'" . DC A 1 20 B -5.428 6.405 6.847 1.00 0.00 ? 7 DC A "C4'" 7 +ATOM 3884 O "O4'" . DC A 1 20 B -4.498 5.453 7.357 1.00 0.00 ? 7 DC A "O4'" 7 +ATOM 3885 C "C3'" . DC A 1 20 B -5.567 6.158 5.328 1.00 0.00 ? 7 DC A "C3'" 7 +ATOM 3886 O "O3'" . DC A 1 20 B -4.832 7.139 4.618 1.00 0.00 ? 7 DC A "O3'" 7 +ATOM 3887 C "C2'" . DC A 1 20 B -4.905 4.791 5.194 1.00 0.00 ? 7 DC A "C2'" 7 +ATOM 3888 C "C1'" . DC A 1 20 B -3.815 4.903 6.255 1.00 0.00 ? 7 DC A "C1'" 7 +ATOM 3889 N N1 . DC A 1 20 B -3.262 3.572 6.599 1.00 0.00 ? 7 DC A N1 7 +ATOM 3890 C C2 . DC A 1 20 B -1.909 3.333 6.375 1.00 0.00 ? 7 DC A C2 7 +ATOM 3891 O O2 . DC A 1 20 B -1.154 4.223 6.012 1.00 0.00 ? 7 DC A O2 7 +ATOM 3892 N N3 . DC A 1 20 B -1.392 2.089 6.538 1.00 0.00 ? 7 DC A N3 7 +ATOM 3893 C C4 . DC A 1 20 B -2.188 1.131 6.975 1.00 0.00 ? 7 DC A C4 7 +ATOM 3894 N N4 . DC A 1 20 B -1.633 -0.037 7.119 1.00 0.00 ? 7 DC A N4 7 +ATOM 3895 C C5 . DC A 1 20 B -3.574 1.316 7.245 1.00 0.00 ? 7 DC A C5 7 +ATOM 3896 C C6 . DC A 1 20 B -4.072 2.560 7.050 1.00 0.00 ? 7 DC A C6 7 +ATOM 3897 H "H5'" . DC A 1 20 B -6.554 6.482 8.677 1.00 0.00 ? 7 DC A "H5'" 7 +ATOM 3898 H "H5''" . DC A 1 20 B -7.390 7.155 7.265 1.00 0.00 ? 7 DC A "H5''" 7 +ATOM 3899 H "H4'" . DC A 1 20 B -5.011 7.400 7.013 1.00 0.00 ? 7 DC A "H4'" 7 +ATOM 3900 H "H3'" . DC A 1 20 B -6.613 6.143 5.012 1.00 0.00 ? 7 DC A "H3'" 7 +ATOM 3901 H "H2'" . DC A 1 20 B -5.642 4.027 5.448 1.00 0.00 ? 7 DC A "H2'" 7 +ATOM 3902 H "H2''" . DC A 1 20 B -4.506 4.595 4.202 1.00 0.00 ? 7 DC A "H2''" 7 +ATOM 3903 H "H1'" . DC A 1 20 B -3.064 5.626 5.926 1.00 0.00 ? 7 DC A "H1'" 7 +ATOM 3904 H H41 . DC A 1 20 B -0.651 -0.049 6.889 1.00 0.00 ? 7 DC A H41 7 +ATOM 3905 H H42 . DC A 1 20 B -2.127 -0.808 7.526 1.00 0.00 ? 7 DC A H42 7 +ATOM 3906 H H5 . DC A 1 20 B -4.219 0.525 7.588 1.00 0.00 ? 7 DC A H5 7 +ATOM 3907 H H6 . DC A 1 20 B -5.119 2.757 7.247 1.00 0.00 ? 7 DC A H6 7 +ATOM 3908 P P . DC A 1 21 B -4.845 7.228 3.010 1.00 0.00 ? 8 DC A P 7 +ATOM 3909 O OP1 . DC A 1 21 B -5.210 8.609 2.632 1.00 0.00 ? 8 DC A OP1 7 +ATOM 3910 O OP2 . DC A 1 21 B -5.613 6.085 2.472 1.00 0.00 ? 8 DC A OP2 7 +ATOM 3911 O "O5'" . DC A 1 21 B -3.293 6.997 2.645 1.00 0.00 ? 8 DC A "O5'" 7 +ATOM 3912 C "C5'" . DC A 1 21 B -2.309 7.952 3.009 1.00 0.00 ? 8 DC A "C5'" 7 +ATOM 3913 C "C4'" . DC A 1 21 B -0.900 7.536 2.555 1.00 0.00 ? 8 DC A "C4'" 7 +ATOM 3914 O "O4'" . DC A 1 21 B -0.498 6.327 3.196 1.00 0.00 ? 8 DC A "O4'" 7 +ATOM 3915 C "C3'" . DC A 1 21 B -0.783 7.333 1.033 1.00 0.00 ? 8 DC A "C3'" 7 +ATOM 3916 O "O3'" . DC A 1 21 B 0.423 7.904 0.554 1.00 0.00 ? 8 DC A "O3'" 7 +ATOM 3917 C "C2'" . DC A 1 21 B -0.771 5.821 0.936 1.00 0.00 ? 8 DC A "C2'" 7 +ATOM 3918 C "C1'" . DC A 1 21 B -0.053 5.411 2.215 1.00 0.00 ? 8 DC A "C1'" 7 +ATOM 3919 N N1 . DC A 1 21 B -0.453 4.036 2.605 1.00 0.00 ? 8 DC A N1 7 +ATOM 3920 C C2 . DC A 1 21 B 0.484 3.011 2.531 1.00 0.00 ? 8 DC A C2 7 +ATOM 3921 O O2 . DC A 1 21 B 1.629 3.207 2.146 1.00 0.00 ? 8 DC A O2 7 +ATOM 3922 N N3 . DC A 1 21 B 0.150 1.745 2.890 1.00 0.00 ? 8 DC A N3 7 +ATOM 3923 C C4 . DC A 1 21 B -1.080 1.515 3.319 1.00 0.00 ? 8 DC A C4 7 +ATOM 3924 N N4 . DC A 1 21 B -1.339 0.291 3.674 1.00 0.00 ? 8 DC A N4 7 +ATOM 3925 C C5 . DC A 1 21 B -2.096 2.509 3.373 1.00 0.00 ? 8 DC A C5 7 +ATOM 3926 C C6 . DC A 1 21 B -1.738 3.763 3.009 1.00 0.00 ? 8 DC A C6 7 +ATOM 3927 H "H5'" . DC A 1 21 B -2.297 8.078 4.094 1.00 0.00 ? 8 DC A "H5'" 7 +ATOM 3928 H "H5''" . DC A 1 21 B -2.542 8.916 2.552 1.00 0.00 ? 8 DC A "H5''" 7 +ATOM 3929 H "H4'" . DC A 1 21 B -0.215 8.327 2.865 1.00 0.00 ? 8 DC A "H4'" 7 +ATOM 3930 H "H3'" . DC A 1 21 B -1.651 7.712 0.493 1.00 0.00 ? 8 DC A "H3'" 7 +ATOM 3931 H "H2'" . DC A 1 21 B -1.802 5.467 0.909 1.00 0.00 ? 8 DC A "H2'" 7 +ATOM 3932 H "H2''" . DC A 1 21 B -0.240 5.498 0.055 1.00 0.00 ? 8 DC A "H2''" 7 +ATOM 3933 H "H1'" . DC A 1 21 B 1.023 5.550 2.092 1.00 0.00 ? 8 DC A "H1'" 7 +ATOM 3934 H H41 . DC A 1 21 B -0.551 -0.330 3.598 1.00 0.00 ? 8 DC A H41 7 +ATOM 3935 H H42 . DC A 1 21 B -2.233 0.031 4.041 1.00 0.00 ? 8 DC A H42 7 +ATOM 3936 H H5 . DC A 1 21 B -3.099 2.304 3.710 1.00 0.00 ? 8 DC A H5 7 +ATOM 3937 H H6 . DC A 1 21 B -2.472 4.558 3.035 1.00 0.00 ? 8 DC A H6 7 +ATOM 3938 P P . DT A 1 22 B 0.720 8.071 -1.021 1.00 0.00 ? 9 DT A P 7 +ATOM 3939 O OP1 . DT A 1 22 B 1.726 9.142 -1.186 1.00 0.00 ? 9 DT A OP1 7 +ATOM 3940 O OP2 . DT A 1 22 B -0.571 8.160 -1.735 1.00 0.00 ? 9 DT A OP2 7 +ATOM 3941 O "O5'" . DT A 1 22 B 1.412 6.676 -1.422 1.00 0.00 ? 9 DT A "O5'" 7 +ATOM 3942 C "C5'" . DT A 1 22 B 2.766 6.407 -1.101 1.00 0.00 ? 9 DT A "C5'" 7 +ATOM 3943 C "C4'" . DT A 1 22 B 3.153 4.973 -1.495 1.00 0.00 ? 9 DT A "C4'" 7 +ATOM 3944 O "O4'" . DT A 1 22 B 2.439 4.012 -0.734 1.00 0.00 ? 9 DT A "O4'" 7 +ATOM 3945 C "C3'" . DT A 1 22 B 2.868 4.628 -2.966 1.00 0.00 ? 9 DT A "C3'" 7 +ATOM 3946 O "O3'" . DT A 1 22 B 4.052 4.660 -3.738 1.00 0.00 ? 9 DT A "O3'" 7 +ATOM 3947 C "C2'" . DT A 1 22 B 2.347 3.190 -2.910 1.00 0.00 ? 9 DT A "C2'" 7 +ATOM 3948 C "C1'" . DT A 1 22 B 2.530 2.800 -1.444 1.00 0.00 ? 9 DT A "C1'" 7 +ATOM 3949 N N1 . DT A 1 22 B 1.486 1.858 -0.975 1.00 0.00 ? 9 DT A N1 7 +ATOM 3950 C C2 . DT A 1 22 B 1.890 0.592 -0.566 1.00 0.00 ? 9 DT A C2 7 +ATOM 3951 O O2 . DT A 1 22 B 3.031 0.167 -0.662 1.00 0.00 ? 9 DT A O2 7 +ATOM 3952 N N3 . DT A 1 22 B 0.923 -0.226 -0.055 1.00 0.00 ? 9 DT A N3 7 +ATOM 3953 C C4 . DT A 1 22 B -0.399 0.090 0.115 1.00 0.00 ? 9 DT A C4 7 +ATOM 3954 O O4 . DT A 1 22 B -1.123 -0.756 0.626 1.00 0.00 ? 9 DT A O4 7 +ATOM 3955 C C5 . DT A 1 22 B -0.787 1.413 -0.390 1.00 0.00 ? 9 DT A C5 7 +ATOM 3956 C C7 . DT A 1 22 B -2.232 1.907 -0.354 1.00 0.00 ? 9 DT A C7 7 +ATOM 3957 C C6 . DT A 1 22 B 0.159 2.235 -0.918 1.00 0.00 ? 9 DT A C6 7 +ATOM 3958 H "H5'" . DT A 1 22 B 2.935 6.530 -0.029 1.00 0.00 ? 9 DT A "H5'" 7 +ATOM 3959 H "H5''" . DT A 1 22 B 3.415 7.100 -1.641 1.00 0.00 ? 9 DT A "H5''" 7 +ATOM 3960 H "H4'" . DT A 1 22 B 4.217 4.836 -1.289 1.00 0.00 ? 9 DT A "H4'" 7 +ATOM 3961 H "H3'" . DT A 1 22 B 2.120 5.287 -3.412 1.00 0.00 ? 9 DT A "H3'" 7 +ATOM 3962 H "H2'" . DT A 1 22 B 1.296 3.198 -3.196 1.00 0.00 ? 9 DT A "H2'" 7 +ATOM 3963 H "H2''" . DT A 1 22 B 2.888 2.509 -3.564 1.00 0.00 ? 9 DT A "H2''" 7 +ATOM 3964 H "H1'" . DT A 1 22 B 3.548 2.425 -1.307 1.00 0.00 ? 9 DT A "H1'" 7 +ATOM 3965 H H3 . DT A 1 22 B 1.211 -1.159 0.204 1.00 0.00 ? 9 DT A H3 7 +ATOM 3966 H H71 . DT A 1 22 B -2.617 2.012 -1.370 1.00 0.00 ? 9 DT A H71 7 +ATOM 3967 H H72 . DT A 1 22 B -2.873 1.211 0.185 1.00 0.00 ? 9 DT A H72 7 +ATOM 3968 H H73 . DT A 1 22 B -2.291 2.876 0.145 1.00 0.00 ? 9 DT A H73 7 +ATOM 3969 H H6 . DT A 1 22 B -0.135 3.194 -1.326 1.00 0.00 ? 9 DT A H6 7 +ATOM 3970 O "O5'" . DA A 1 5 ? 7.028 -10.442 0.841 1.00 0.00 ? 1 DA A "O5'" 8 +ATOM 3971 C "C5'" . DA A 1 5 ? 5.686 -10.062 1.099 1.00 0.00 ? 1 DA A "C5'" 8 +ATOM 3972 C "C4'" . DA A 1 5 ? 5.219 -8.958 0.136 1.00 0.00 ? 1 DA A "C4'" 8 +ATOM 3973 O "O4'" . DA A 1 5 ? 3.890 -8.528 0.408 1.00 0.00 ? 1 DA A "O4'" 8 +ATOM 3974 C "C3'" . DA A 1 5 ? 6.068 -7.696 0.290 1.00 0.00 ? 1 DA A "C3'" 8 +ATOM 3975 O "O3'" . DA A 1 5 ? 7.079 -7.636 -0.689 1.00 0.00 ? 1 DA A "O3'" 8 +ATOM 3976 C "C2'" . DA A 1 5 ? 5.089 -6.541 0.104 1.00 0.00 ? 1 DA A "C2'" 8 +ATOM 3977 C "C1'" . DA A 1 5 ? 3.746 -7.230 -0.147 1.00 0.00 ? 1 DA A "C1'" 8 +ATOM 3978 N N9 . DA A 1 5 ? 2.596 -6.507 0.434 1.00 0.00 ? 1 DA A N9 8 +ATOM 3979 C C8 . DA A 1 5 ? 1.506 -7.002 1.110 1.00 0.00 ? 1 DA A C8 8 +ATOM 3980 N N7 . DA A 1 5 ? 0.597 -6.108 1.391 1.00 0.00 ? 1 DA A N7 8 +ATOM 3981 C C5 . DA A 1 5 ? 1.135 -4.926 0.865 1.00 0.00 ? 1 DA A C5 8 +ATOM 3982 C C6 . DA A 1 5 ? 0.714 -3.577 0.772 1.00 0.00 ? 1 DA A C6 8 +ATOM 3983 N N6 . DA A 1 5 ? -0.433 -3.113 1.227 1.00 0.00 ? 1 DA A N6 8 +ATOM 3984 N N1 . DA A 1 5 ? 1.458 -2.661 0.139 1.00 0.00 ? 1 DA A N1 8 +ATOM 3985 C C2 . DA A 1 5 ? 2.614 -3.048 -0.385 1.00 0.00 ? 1 DA A C2 8 +ATOM 3986 N N3 . DA A 1 5 ? 3.133 -4.269 -0.379 1.00 0.00 ? 1 DA A N3 8 +ATOM 3987 C C4 . DA A 1 5 ? 2.347 -5.167 0.276 1.00 0.00 ? 1 DA A C4 8 +ATOM 3988 H "H5'" . DA A 1 5 ? 5.605 -9.720 2.132 1.00 0.00 ? 1 DA A "H5'" 8 +ATOM 3989 H "H5''" . DA A 1 5 ? 5.049 -10.938 0.974 1.00 0.00 ? 1 DA A "H5''" 8 +ATOM 3990 H "H4'" . DA A 1 5 ? 5.286 -9.336 -0.888 1.00 0.00 ? 1 DA A "H4'" 8 +ATOM 3991 H "H3'" . DA A 1 5 ? 6.442 -7.677 1.315 1.00 0.00 ? 1 DA A "H3'" 8 +ATOM 3992 H "H2'" . DA A 1 5 ? 5.084 -5.934 1.011 1.00 0.00 ? 1 DA A "H2'" 8 +ATOM 3993 H "H2''" . DA A 1 5 ? 5.360 -5.904 -0.740 1.00 0.00 ? 1 DA A "H2''" 8 +ATOM 3994 H "H1'" . DA A 1 5 ? 3.581 -7.317 -1.224 1.00 0.00 ? 1 DA A "H1'" 8 +ATOM 3995 H H8 . DA A 1 5 ? 1.384 -8.046 1.371 1.00 0.00 ? 1 DA A H8 8 +ATOM 3996 H H61 . DA A 1 5 ? -0.595 -2.118 1.127 1.00 0.00 ? 1 DA A H61 8 +ATOM 3997 H H62 . DA A 1 5 ? -1.025 -3.713 1.772 1.00 0.00 ? 1 DA A H62 8 +ATOM 3998 H H2 . DA A 1 5 ? 3.190 -2.290 -0.891 1.00 0.00 ? 1 DA A H2 8 +ATOM 3999 H "HO5'" . DA A 1 5 ? 7.628 -9.679 0.945 1.00 0.00 ? 1 DA A "HO5'" 8 +ATOM 4000 P P . DG A 1 6 ? 8.602 -7.483 -0.246 1.00 0.00 ? 2 DG A P 8 +ATOM 4001 O OP1 . DG A 1 6 ? 9.451 -7.600 -1.449 1.00 0.00 ? 2 DG A OP1 8 +ATOM 4002 O OP2 . DG A 1 6 ? 8.780 -8.417 0.892 1.00 0.00 ? 2 DG A OP2 8 +ATOM 4003 O "O5'" . DG A 1 6 ? 8.629 -5.956 0.276 1.00 0.00 ? 2 DG A "O5'" 8 +ATOM 4004 C "C5'" . DG A 1 6 ? 8.590 -5.606 1.653 1.00 0.00 ? 2 DG A "C5'" 8 +ATOM 4005 C "C4'" . DG A 1 6 ? 8.294 -4.100 1.804 1.00 0.00 ? 2 DG A "C4'" 8 +ATOM 4006 O "O4'" . DG A 1 6 ? 6.908 -3.817 1.586 1.00 0.00 ? 2 DG A "O4'" 8 +ATOM 4007 C "C3'" . DG A 1 6 ? 8.636 -3.548 3.206 1.00 0.00 ? 2 DG A "C3'" 8 +ATOM 4008 O "O3'" . DG A 1 6 ? 9.400 -2.365 3.074 1.00 0.00 ? 2 DG A "O3'" 8 +ATOM 4009 C "C2'" . DG A 1 6 ? 7.251 -3.243 3.768 1.00 0.00 ? 2 DG A "C2'" 8 +ATOM 4010 C "C1'" . DG A 1 6 ? 6.531 -2.805 2.500 1.00 0.00 ? 2 DG A "C1'" 8 +ATOM 4011 N N9 . DG A 1 6 ? 5.065 -2.756 2.686 1.00 0.00 ? 2 DG A N9 8 +ATOM 4012 C C8 . DG A 1 6 ? 4.203 -3.767 3.026 1.00 0.00 ? 2 DG A C8 8 +ATOM 4013 N N7 . DG A 1 6 ? 2.957 -3.403 3.139 1.00 0.00 ? 2 DG A N7 8 +ATOM 4014 C C5 . DG A 1 6 ? 2.999 -2.029 2.882 1.00 0.00 ? 2 DG A C5 8 +ATOM 4015 C C6 . DG A 1 6 ? 1.978 -1.021 2.888 1.00 0.00 ? 2 DG A C6 8 +ATOM 4016 O O6 . DG A 1 6 ? 0.780 -1.149 3.101 1.00 0.00 ? 2 DG A O6 8 +ATOM 4017 N N1 . DG A 1 6 ? 2.428 0.252 2.602 1.00 0.00 ? 2 DG A N1 8 +ATOM 4018 C C2 . DG A 1 6 ? 3.722 0.527 2.307 1.00 0.00 ? 2 DG A C2 8 +ATOM 4019 N N2 . DG A 1 6 ? 4.033 1.781 2.136 1.00 0.00 ? 2 DG A N2 8 +ATOM 4020 N N3 . DG A 1 6 ? 4.702 -0.372 2.297 1.00 0.00 ? 2 DG A N3 8 +ATOM 4021 C C4 . DG A 1 6 ? 4.282 -1.633 2.593 1.00 0.00 ? 2 DG A C4 8 +ATOM 4022 H "H5'" . DG A 1 6 ? 9.569 -5.829 2.082 1.00 0.00 ? 2 DG A "H5'" 8 +ATOM 4023 H "H5''" . DG A 1 6 ? 7.833 -6.165 2.204 1.00 0.00 ? 2 DG A "H5''" 8 +ATOM 4024 H "H4'" . DG A 1 6 ? 8.884 -3.565 1.056 1.00 0.00 ? 2 DG A "H4'" 8 +ATOM 4025 H "H3'" . DG A 1 6 ? 9.163 -4.286 3.816 1.00 0.00 ? 2 DG A "H3'" 8 +ATOM 4026 H "H2'" . DG A 1 6 ? 6.824 -4.160 4.175 1.00 0.00 ? 2 DG A "H2'" 8 +ATOM 4027 H "H2''" . DG A 1 6 ? 7.253 -2.470 4.535 1.00 0.00 ? 2 DG A "H2''" 8 +ATOM 4028 H "H1'" . DG A 1 6 ? 6.918 -1.842 2.159 1.00 0.00 ? 2 DG A "H1'" 8 +ATOM 4029 H H8 . DG A 1 6 ? 4.508 -4.784 3.199 1.00 0.00 ? 2 DG A H8 8 +ATOM 4030 H H1 . DG A 1 6 ? 1.728 0.985 2.633 1.00 0.00 ? 2 DG A H1 8 +ATOM 4031 H H21 . DG A 1 6 ? 3.328 2.500 2.206 1.00 0.00 ? 2 DG A H21 8 +ATOM 4032 H H22 . DG A 1 6 ? 5.017 1.966 2.050 1.00 0.00 ? 2 DG A H22 8 +ATOM 4033 P P . DG A 1 7 ? 9.966 -1.566 4.349 1.00 0.00 ? 3 DG A P 8 +ATOM 4034 O OP1 . DG A 1 7 ? 11.359 -1.172 4.049 1.00 0.00 ? 3 DG A OP1 8 +ATOM 4035 O OP2 . DG A 1 7 ? 9.667 -2.355 5.563 1.00 0.00 ? 3 DG A OP2 8 +ATOM 4036 O "O5'" . DG A 1 7 ? 9.053 -0.235 4.362 1.00 0.00 ? 3 DG A "O5'" 8 +ATOM 4037 C "C5'" . DG A 1 7 ? 9.145 0.714 3.310 1.00 0.00 ? 3 DG A "C5'" 8 +ATOM 4038 C "C4'" . DG A 1 7 ? 8.342 2.001 3.576 1.00 0.00 ? 3 DG A "C4'" 8 +ATOM 4039 O "O4'" . DG A 1 7 ? 6.937 1.751 3.584 1.00 0.00 ? 3 DG A "O4'" 8 +ATOM 4040 C "C3'" . DG A 1 7 ? 8.701 2.675 4.913 1.00 0.00 ? 3 DG A "C3'" 8 +ATOM 4041 O "O3'" . DG A 1 7 ? 8.714 4.082 4.739 1.00 0.00 ? 3 DG A "O3'" 8 +ATOM 4042 C "C2'" . DG A 1 7 ? 7.533 2.252 5.796 1.00 0.00 ? 3 DG A "C2'" 8 +ATOM 4043 C "C1'" . DG A 1 7 ? 6.385 2.257 4.789 1.00 0.00 ? 3 DG A "C1'" 8 +ATOM 4044 N N9 . DG A 1 7 ? 5.259 1.397 5.207 1.00 0.00 ? 3 DG A N9 8 +ATOM 4045 C C8 . DG A 1 7 ? 5.231 0.037 5.390 1.00 0.00 ? 3 DG A C8 8 +ATOM 4046 N N7 . DG A 1 7 ? 4.052 -0.440 5.685 1.00 0.00 ? 3 DG A N7 8 +ATOM 4047 C C5 . DG A 1 7 ? 3.232 0.694 5.701 1.00 0.00 ? 3 DG A C5 8 +ATOM 4048 C C6 . DG A 1 7 ? 1.827 0.870 5.947 1.00 0.00 ? 3 DG A C6 8 +ATOM 4049 O O6 . DG A 1 7 ? 0.988 0.027 6.232 1.00 0.00 ? 3 DG A O6 8 +ATOM 4050 N N1 . DG A 1 7 ? 1.390 2.179 5.854 1.00 0.00 ? 3 DG A N1 8 +ATOM 4051 C C2 . DG A 1 7 ? 2.205 3.203 5.506 1.00 0.00 ? 3 DG A C2 8 +ATOM 4052 N N2 . DG A 1 7 ? 1.692 4.399 5.487 1.00 0.00 ? 3 DG A N2 8 +ATOM 4053 N N3 . DG A 1 7 ? 3.506 3.087 5.274 1.00 0.00 ? 3 DG A N3 8 +ATOM 4054 C C4 . DG A 1 7 ? 3.966 1.813 5.390 1.00 0.00 ? 3 DG A C4 8 +ATOM 4055 H "H5'" . DG A 1 7 ? 8.791 0.267 2.379 1.00 0.00 ? 3 DG A "H5'" 8 +ATOM 4056 H "H5''" . DG A 1 7 ? 10.188 1.009 3.174 1.00 0.00 ? 3 DG A "H5''" 8 +ATOM 4057 H "H4'" . DG A 1 7 ? 8.581 2.674 2.747 1.00 0.00 ? 3 DG A "H4'" 8 +ATOM 4058 H "H3'" . DG A 1 7 ? 9.660 2.315 5.294 1.00 0.00 ? 3 DG A "H3'" 8 +ATOM 4059 H "H2'" . DG A 1 7 ? 7.712 1.261 6.207 1.00 0.00 ? 3 DG A "H2'" 8 +ATOM 4060 H "H2''" . DG A 1 7 ? 7.375 2.945 6.615 1.00 0.00 ? 3 DG A "H2''" 8 +ATOM 4061 H "H1'" . DG A 1 7 ? 6.048 3.286 4.636 1.00 0.00 ? 3 DG A "H1'" 8 +ATOM 4062 H H8 . DG A 1 7 ? 6.097 -0.596 5.279 1.00 0.00 ? 3 DG A H8 8 +ATOM 4063 H H1 . DG A 1 7 ? 0.406 2.339 6.042 1.00 0.00 ? 3 DG A H1 8 +ATOM 4064 H H21 . DG A 1 7 ? 0.730 4.556 5.747 1.00 0.00 ? 3 DG A H21 8 +ATOM 4065 H H22 . DG A 1 7 ? 2.347 5.138 5.308 1.00 0.00 ? 3 DG A H22 8 +ATOM 4066 P P . DA A 1 8 ? 9.152 5.079 5.924 1.00 0.00 ? 4 DA A P 8 +ATOM 4067 O OP1 . DA A 1 8 ? 9.672 6.314 5.299 1.00 0.00 ? 4 DA A OP1 8 +ATOM 4068 O OP2 . DA A 1 8 ? 9.997 4.324 6.873 1.00 0.00 ? 4 DA A OP2 8 +ATOM 4069 O "O5'" . DA A 1 8 ? 7.757 5.432 6.656 1.00 0.00 ? 4 DA A "O5'" 8 +ATOM 4070 C "C5'" . DA A 1 8 ? 6.844 6.355 6.085 1.00 0.00 ? 4 DA A "C5'" 8 +ATOM 4071 C "C4'" . DA A 1 8 ? 5.609 6.593 6.971 1.00 0.00 ? 4 DA A "C4'" 8 +ATOM 4072 O "O4'" . DA A 1 8 ? 4.710 5.491 6.993 1.00 0.00 ? 4 DA A "O4'" 8 +ATOM 4073 C "C3'" . DA A 1 8 ? 5.921 6.957 8.438 1.00 0.00 ? 4 DA A "C3'" 8 +ATOM 4074 O "O3'" . DA A 1 8 ? 5.440 8.258 8.724 1.00 0.00 ? 4 DA A "O3'" 8 +ATOM 4075 C "C2'" . DA A 1 8 ? 5.188 5.861 9.198 1.00 0.00 ? 4 DA A "C2'" 8 +ATOM 4076 C "C1'" . DA A 1 8 ? 4.056 5.502 8.246 1.00 0.00 ? 4 DA A "C1'" 8 +ATOM 4077 N N9 . DA A 1 8 ? 3.552 4.147 8.525 1.00 0.00 ? 4 DA A N9 8 +ATOM 4078 C C8 . DA A 1 8 ? 4.268 2.977 8.546 1.00 0.00 ? 4 DA A C8 8 +ATOM 4079 N N7 . DA A 1 8 ? 3.553 1.913 8.782 1.00 0.00 ? 4 DA A N7 8 +ATOM 4080 C C5 . DA A 1 8 ? 2.262 2.429 8.932 1.00 0.00 ? 4 DA A C5 8 +ATOM 4081 C C6 . DA A 1 8 ? 0.994 1.873 9.202 1.00 0.00 ? 4 DA A C6 8 +ATOM 4082 N N6 . DA A 1 8 ? 0.790 0.586 9.389 1.00 0.00 ? 4 DA A N6 8 +ATOM 4083 N N1 . DA A 1 8 ? -0.094 2.643 9.324 1.00 0.00 ? 4 DA A N1 8 +ATOM 4084 C C2 . DA A 1 8 ? 0.049 3.951 9.140 1.00 0.00 ? 4 DA A C2 8 +ATOM 4085 N N3 . DA A 1 8 ? 1.172 4.611 8.869 1.00 0.00 ? 4 DA A N3 8 +ATOM 4086 C C4 . DA A 1 8 ? 2.254 3.789 8.781 1.00 0.00 ? 4 DA A C4 8 +ATOM 4087 H "H5'" . DA A 1 8 ? 6.514 6.001 5.106 1.00 0.00 ? 4 DA A "H5'" 8 +ATOM 4088 H "H5''" . DA A 1 8 ? 7.342 7.318 5.956 1.00 0.00 ? 4 DA A "H5''" 8 +ATOM 4089 H "H4'" . DA A 1 8 ? 5.056 7.418 6.516 1.00 0.00 ? 4 DA A "H4'" 8 +ATOM 4090 H "H3'" . DA A 1 8 ? 6.981 6.854 8.665 1.00 0.00 ? 4 DA A "H3'" 8 +ATOM 4091 H "H2'" . DA A 1 8 ? 5.879 5.030 9.341 1.00 0.00 ? 4 DA A "H2'" 8 +ATOM 4092 H "H2''" . DA A 1 8 ? 4.819 6.195 10.160 1.00 0.00 ? 4 DA A "H2''" 8 +ATOM 4093 H "H1'" . DA A 1 8 ? 3.270 6.261 8.266 1.00 0.00 ? 4 DA A "H1'" 8 +ATOM 4094 H H8 . DA A 1 8 ? 5.336 2.947 8.386 1.00 0.00 ? 4 DA A H8 8 +ATOM 4095 H H61 . DA A 1 8 ? -0.146 0.289 9.609 1.00 0.00 ? 4 DA A H61 8 +ATOM 4096 H H62 . DA A 1 8 ? 1.564 -0.052 9.310 1.00 0.00 ? 4 DA A H62 8 +ATOM 4097 H H2 . DA A 1 8 ? -0.844 4.549 9.233 1.00 0.00 ? 4 DA A H2 8 +ATOM 4098 P P . DT A 1 9 ? 5.730 8.990 10.127 1.00 0.00 ? 5 DT A P 8 +ATOM 4099 O OP1 . DT A 1 9 ? 5.609 10.448 9.915 1.00 0.00 ? 5 DT A OP1 8 +ATOM 4100 O OP2 . DT A 1 9 ? 6.964 8.425 10.710 1.00 0.00 ? 5 DT A OP2 8 +ATOM 4101 O "O5'" . DT A 1 9 ? 4.484 8.512 11.018 1.00 0.00 ? 5 DT A "O5'" 8 +ATOM 4102 C "C5'" . DT A 1 9 ? 3.167 8.935 10.713 1.00 0.00 ? 5 DT A "C5'" 8 +ATOM 4103 C "C4'" . DT A 1 9 ? 2.149 8.149 11.545 1.00 0.00 ? 5 DT A "C4'" 8 +ATOM 4104 O "O4'" . DT A 1 9 ? 2.132 6.766 11.229 1.00 0.00 ? 5 DT A "O4'" 8 +ATOM 4105 C "C3'" . DT A 1 9 ? 2.291 8.292 13.072 1.00 0.00 ? 5 DT A "C3'" 8 +ATOM 4106 O "O3'" . DT A 1 9 ? 1.137 8.919 13.601 1.00 0.00 ? 5 DT A "O3'" 8 +ATOM 4107 C "C2'" . DT A 1 9 ? 2.364 6.823 13.471 1.00 0.00 ? 5 DT A "C2'" 8 +ATOM 4108 C "C1'" . DT A 1 9 ? 1.545 6.167 12.354 1.00 0.00 ? 5 DT A "C1'" 8 +ATOM 4109 N N1 . DT A 1 9 ? 1.719 4.696 12.289 1.00 0.00 ? 5 DT A N1 8 +ATOM 4110 C C2 . DT A 1 9 ? 0.576 3.906 12.382 1.00 0.00 ? 5 DT A C2 8 +ATOM 4111 O O2 . DT A 1 9 ? -0.563 4.342 12.442 1.00 0.00 ? 5 DT A O2 8 +ATOM 4112 N N3 . DT A 1 9 ? 0.767 2.554 12.439 1.00 0.00 ? 5 DT A N3 8 +ATOM 4113 C C4 . DT A 1 9 ? 1.975 1.908 12.389 1.00 0.00 ? 5 DT A C4 8 +ATOM 4114 O O4 . DT A 1 9 ? 1.981 0.691 12.518 1.00 0.00 ? 5 DT A O4 8 +ATOM 4115 C C5 . DT A 1 9 ? 3.138 2.776 12.197 1.00 0.00 ? 5 DT A C5 8 +ATOM 4116 C C7 . DT A 1 9 ? 4.545 2.194 12.060 1.00 0.00 ? 5 DT A C7 8 +ATOM 4117 C C6 . DT A 1 9 ? 2.971 4.126 12.159 1.00 0.00 ? 5 DT A C6 8 +ATOM 4118 H "H5'" . DT A 1 9 ? 2.940 8.767 9.658 1.00 0.00 ? 5 DT A "H5'" 8 +ATOM 4119 H "H5''" . DT A 1 9 ? 3.060 10.000 10.931 1.00 0.00 ? 5 DT A "H5''" 8 +ATOM 4120 H "H4'" . DT A 1 9 ? 1.140 8.467 11.301 1.00 0.00 ? 5 DT A "H4'" 8 +ATOM 4121 H "H3'" . DT A 1 9 ? 3.204 8.826 13.346 1.00 0.00 ? 5 DT A "H3'" 8 +ATOM 4122 H "H2'" . DT A 1 9 ? 3.413 6.534 13.450 1.00 0.00 ? 5 DT A "H2'" 8 +ATOM 4123 H "H2''" . DT A 1 9 ? 1.980 6.645 14.468 1.00 0.00 ? 5 DT A "H2''" 8 +ATOM 4124 H "H1'" . DT A 1 9 ? 0.496 6.494 12.377 1.00 0.00 ? 5 DT A "H1'" 8 +ATOM 4125 H H3 . DT A 1 9 ? -0.065 2.004 12.611 1.00 0.00 ? 5 DT A H3 8 +ATOM 4126 H H71 . DT A 1 9 ? 4.507 1.243 11.524 1.00 0.00 ? 5 DT A H71 8 +ATOM 4127 H H72 . DT A 1 9 ? 5.205 2.863 11.502 1.00 0.00 ? 5 DT A H72 8 +ATOM 4128 H H73 . DT A 1 9 ? 4.973 2.023 13.049 1.00 0.00 ? 5 DT A H73 8 +ATOM 4129 H H6 . DT A 1 9 ? 3.834 4.764 12.030 1.00 0.00 ? 5 DT A H6 8 +ATOM 4130 P P . DC A 1 10 ? 1.011 9.328 15.149 1.00 0.00 ? 6 DC A P 8 +ATOM 4131 O OP1 . DC A 1 10 ? 0.733 10.777 15.222 1.00 0.00 ? 6 DC A OP1 8 +ATOM 4132 O OP2 . DC A 1 10 ? 2.150 8.749 15.891 1.00 0.00 ? 6 DC A OP2 8 +ATOM 4133 O "O5'" . DC A 1 10 ? -0.320 8.532 15.574 1.00 0.00 ? 6 DC A "O5'" 8 +ATOM 4134 C "C5'" . DC A 1 10 ? -1.589 8.882 15.043 1.00 0.00 ? 6 DC A "C5'" 8 +ATOM 4135 C "C4'" . DC A 1 10 ? -2.699 7.938 15.541 1.00 0.00 ? 6 DC A "C4'" 8 +ATOM 4136 O "O4'" . DC A 1 10 ? -2.462 6.613 15.074 1.00 0.00 ? 6 DC A "O4'" 8 +ATOM 4137 C "C3'" . DC A 1 10 ? -2.794 7.886 17.076 1.00 0.00 ? 6 DC A "C3'" 8 +ATOM 4138 O "O3'" . DC A 1 10 ? -4.148 7.754 17.473 1.00 0.00 ? 6 DC A "O3'" 8 +ATOM 4139 C "C2'" . DC A 1 10 ? -2.021 6.611 17.379 1.00 0.00 ? 6 DC A "C2'" 8 +ATOM 4140 C "C1'" . DC A 1 10 ? -2.412 5.742 16.187 1.00 0.00 ? 6 DC A "C1'" 8 +ATOM 4141 N N1 . DC A 1 10 ? -1.393 4.690 15.959 1.00 0.00 ? 6 DC A N1 8 +ATOM 4142 C C2 . DC A 1 10 ? -1.690 3.384 16.330 1.00 0.00 ? 6 DC A C2 8 +ATOM 4143 O O2 . DC A 1 10 ? -2.803 3.075 16.728 1.00 0.00 ? 6 DC A O2 8 +ATOM 4144 N N3 . DC A 1 10 ? -0.745 2.414 16.264 1.00 0.00 ? 6 DC A N3 8 +ATOM 4145 C C4 . DC A 1 10 ? 0.458 2.737 15.824 1.00 0.00 ? 6 DC A C4 8 +ATOM 4146 N N4 . DC A 1 10 ? 1.320 1.761 15.803 1.00 0.00 ? 6 DC A N4 8 +ATOM 4147 C C5 . DC A 1 10 ? 0.826 4.055 15.421 1.00 0.00 ? 6 DC A C5 8 +ATOM 4148 C C6 . DC A 1 10 ? -0.140 5.001 15.495 1.00 0.00 ? 6 DC A C6 8 +ATOM 4149 H "H5'" . DC A 1 10 ? -1.566 8.837 13.952 1.00 0.00 ? 6 DC A "H5'" 8 +ATOM 4150 H "H5''" . DC A 1 10 ? -1.842 9.902 15.342 1.00 0.00 ? 6 DC A "H5''" 8 +ATOM 4151 H "H4'" . DC A 1 10 ? -3.644 8.293 15.127 1.00 0.00 ? 6 DC A "H4'" 8 +ATOM 4152 H "H3'" . DC A 1 10 ? -2.332 8.770 17.524 1.00 0.00 ? 6 DC A "H3'" 8 +ATOM 4153 H "H2'" . DC A 1 10 ? -0.955 6.839 17.379 1.00 0.00 ? 6 DC A "H2'" 8 +ATOM 4154 H "H2''" . DC A 1 10 ? -2.297 6.168 18.333 1.00 0.00 ? 6 DC A "H2''" 8 +ATOM 4155 H "H1'" . DC A 1 10 ? -3.422 5.356 16.339 1.00 0.00 ? 6 DC A "H1'" 8 +ATOM 4156 H H41 . DC A 1 10 ? 0.936 0.880 16.116 1.00 0.00 ? 6 DC A H41 8 +ATOM 4157 H H42 . DC A 1 10 ? 2.264 1.894 15.498 1.00 0.00 ? 6 DC A H42 8 +ATOM 4158 H H5 . DC A 1 10 ? 1.805 4.336 15.058 1.00 0.00 ? 6 DC A H5 8 +ATOM 4159 H H6 . DC A 1 10 ? 0.079 6.010 15.178 1.00 0.00 ? 6 DC A H6 8 +ATOM 4160 P P . DC A 1 11 ? -4.586 7.862 19.017 1.00 0.00 ? 7 DC A P 8 +ATOM 4161 O OP1 . DC A 1 11 ? -5.924 8.489 19.060 1.00 0.00 ? 7 DC A OP1 8 +ATOM 4162 O OP2 . DC A 1 11 ? -3.469 8.470 19.770 1.00 0.00 ? 7 DC A OP2 8 +ATOM 4163 O "O5'" . DC A 1 11 ? -4.729 6.328 19.499 1.00 0.00 ? 7 DC A "O5'" 8 +ATOM 4164 C "C5'" . DC A 1 11 ? -5.923 5.588 19.283 1.00 0.00 ? 7 DC A "C5'" 8 +ATOM 4165 C "C4'" . DC A 1 11 ? -5.914 4.248 20.044 1.00 0.00 ? 7 DC A "C4'" 8 +ATOM 4166 O "O4'" . DC A 1 11 ? -5.015 3.319 19.438 1.00 0.00 ? 7 DC A "O4'" 8 +ATOM 4167 C "C3'" . DC A 1 11 ? -5.509 4.411 21.527 1.00 0.00 ? 7 DC A "C3'" 8 +ATOM 4168 O "O3'" . DC A 1 11 ? -6.359 3.672 22.374 1.00 0.00 ? 7 DC A "O3'" 8 +ATOM 4169 C "C2'" . DC A 1 11 ? -4.116 3.799 21.497 1.00 0.00 ? 7 DC A "C2'" 8 +ATOM 4170 C "C1'" . DC A 1 11 ? -4.299 2.685 20.475 1.00 0.00 ? 7 DC A "C1'" 8 +ATOM 4171 N N1 . DC A 1 11 ? -2.979 2.217 20.008 1.00 0.00 ? 7 DC A N1 8 +ATOM 4172 C C2 . DC A 1 11 ? -2.565 0.915 20.300 1.00 0.00 ? 7 DC A C2 8 +ATOM 4173 O O2 . DC A 1 11 ? -3.350 0.067 20.704 1.00 0.00 ? 7 DC A O2 8 +ATOM 4174 N N3 . DC A 1 11 ? -1.260 0.559 20.151 1.00 0.00 ? 7 DC A N3 8 +ATOM 4175 C C4 . DC A 1 11 ? -0.392 1.494 19.796 1.00 0.00 ? 7 DC A C4 8 +ATOM 4176 N N4 . DC A 1 11 ? 0.851 1.135 19.664 1.00 0.00 ? 7 DC A N4 8 +ATOM 4177 C C5 . DC A 1 11 ? -0.755 2.849 19.576 1.00 0.00 ? 7 DC A C5 8 +ATOM 4178 C C6 . DC A 1 11 ? -2.059 3.154 19.638 1.00 0.00 ? 7 DC A C6 8 +ATOM 4179 H "H5'" . DC A 1 11 ? -6.065 5.405 18.216 1.00 0.00 ? 7 DC A "H5'" 8 +ATOM 4180 H "H5''" . DC A 1 11 ? -6.780 6.155 19.654 1.00 0.00 ? 7 DC A "H5''" 8 +ATOM 4181 H "H4'" . DC A 1 11 ? -6.920 3.827 19.988 1.00 0.00 ? 7 DC A "H4'" 8 +ATOM 4182 H "H3'" . DC A 1 11 ? -5.492 5.464 21.822 1.00 0.00 ? 7 DC A "H3'" 8 +ATOM 4183 H "H2'" . DC A 1 11 ? -3.469 4.595 21.167 1.00 0.00 ? 7 DC A "H2'" 8 +ATOM 4184 H "H2''" . DC A 1 11 ? -3.675 3.425 22.411 1.00 0.00 ? 7 DC A "H2''" 8 +ATOM 4185 H "H1'" . DC A 1 11 ? -4.914 1.907 20.921 1.00 0.00 ? 7 DC A "H1'" 8 +ATOM 4186 H H41 . DC A 1 11 ? 1.043 0.168 19.869 1.00 0.00 ? 7 DC A H41 8 +ATOM 4187 H H42 . DC A 1 11 ? 1.547 1.795 19.380 1.00 0.00 ? 7 DC A H42 8 +ATOM 4188 H H5 . DC A 1 11 ? -0.081 3.670 19.505 1.00 0.00 ? 7 DC A H5 8 +ATOM 4189 H H6 . DC A 1 11 ? -2.357 4.176 19.454 1.00 0.00 ? 7 DC A H6 8 +ATOM 4190 P P . DT A 1 12 ? -6.256 3.810 23.969 1.00 0.00 ? 8 DT A P 8 +ATOM 4191 O OP1 . DT A 1 12 ? -7.593 4.162 24.492 1.00 0.00 ? 8 DT A OP1 8 +ATOM 4192 O OP2 . DT A 1 12 ? -5.079 4.638 24.310 1.00 0.00 ? 8 DT A OP2 8 +ATOM 4193 O "O5'" . DT A 1 12 ? -5.917 2.310 24.405 1.00 0.00 ? 8 DT A "O5'" 8 +ATOM 4194 C "C5'" . DT A 1 12 ? -6.859 1.264 24.282 1.00 0.00 ? 8 DT A "C5'" 8 +ATOM 4195 C "C4'" . DT A 1 12 ? -6.343 -0.022 24.949 1.00 0.00 ? 8 DT A "C4'" 8 +ATOM 4196 O "O4'" . DT A 1 12 ? -5.190 -0.534 24.286 1.00 0.00 ? 8 DT A "O4'" 8 +ATOM 4197 C "C3'" . DT A 1 12 ? -5.940 0.185 26.421 1.00 0.00 ? 8 DT A "C3'" 8 +ATOM 4198 O "O3'" . DT A 1 12 ? -6.137 -1.073 27.054 1.00 0.00 ? 8 DT A "O3'" 8 +ATOM 4199 C "C2'" . DT A 1 12 ? -4.476 0.547 26.277 1.00 0.00 ? 8 DT A "C2'" 8 +ATOM 4200 C "C1'" . DT A 1 12 ? -4.094 -0.409 25.173 1.00 0.00 ? 8 DT A "C1'" 8 +ATOM 4201 N N1 . DT A 1 12 ? -2.876 -0.057 24.422 1.00 0.00 ? 8 DT A N1 8 +ATOM 4202 C C2 . DT A 1 12 ? -2.128 -1.124 23.942 1.00 0.00 ? 8 DT A C2 8 +ATOM 4203 O O2 . DT A 1 12 ? -2.421 -2.300 24.106 1.00 0.00 ? 8 DT A O2 8 +ATOM 4204 N N3 . DT A 1 12 ? -0.958 -0.815 23.308 1.00 0.00 ? 8 DT A N3 8 +ATOM 4205 C C4 . DT A 1 12 ? -0.465 0.450 23.117 1.00 0.00 ? 8 DT A C4 8 +ATOM 4206 O O4 . DT A 1 12 ? 0.680 0.562 22.701 1.00 0.00 ? 8 DT A O4 8 +ATOM 4207 C C5 . DT A 1 12 ? -1.394 1.535 23.450 1.00 0.00 ? 8 DT A C5 8 +ATOM 4208 C C7 . DT A 1 12 ? -1.016 2.996 23.202 1.00 0.00 ? 8 DT A C7 8 +ATOM 4209 C C6 . DT A 1 12 ? -2.570 1.246 24.078 1.00 0.00 ? 8 DT A C6 8 +ATOM 4210 H "H5'" . DT A 1 12 ? -7.063 1.066 23.227 1.00 0.00 ? 8 DT A "H5'" 8 +ATOM 4211 H "H5''" . DT A 1 12 ? -7.795 1.541 24.773 1.00 0.00 ? 8 DT A "H5''" 8 +ATOM 4212 H "H4'" . DT A 1 12 ? -7.144 -0.760 24.876 1.00 0.00 ? 8 DT A "H4'" 8 +ATOM 4213 H "H3'" . DT A 1 12 ? -6.432 1.028 26.897 1.00 0.00 ? 8 DT A "H3'" 8 +ATOM 4214 H "H2'" . DT A 1 12 ? -4.338 1.588 26.028 1.00 0.00 ? 8 DT A "H2'" 8 +ATOM 4215 H "H2''" . DT A 1 12 ? -3.919 0.352 27.167 1.00 0.00 ? 8 DT A "H2''" 8 +ATOM 4216 H "H1'" . DT A 1 12 ? -3.954 -1.317 25.761 1.00 0.00 ? 8 DT A "H1'" 8 +ATOM 4217 H H3 . DT A 1 12 ? -0.370 -1.597 23.066 1.00 0.00 ? 8 DT A H3 8 +ATOM 4218 H H71 . DT A 1 12 ? -1.360 3.630 24.022 1.00 0.00 ? 8 DT A H71 8 +ATOM 4219 H H72 . DT A 1 12 ? 0.067 3.098 23.125 1.00 0.00 ? 8 DT A H72 8 +ATOM 4220 H H73 . DT A 1 12 ? -1.449 3.358 22.274 1.00 0.00 ? 8 DT A H73 8 +ATOM 4221 H H6 . DT A 1 12 ? -3.282 2.038 24.307 1.00 0.00 ? 8 DT A H6 8 +ATOM 4222 P P . DT A 1 13 ? -5.928 -1.329 28.622 1.00 0.00 ? 9 DT A P 8 +ATOM 4223 O OP1 . DT A 1 13 ? -6.411 -2.693 28.922 1.00 0.00 ? 9 DT A OP1 8 +ATOM 4224 O OP2 . DT A 1 13 ? -6.513 -0.178 29.337 1.00 0.00 ? 9 DT A OP2 8 +ATOM 4225 O "O5'" . DT A 1 13 ? -4.321 -1.323 28.802 1.00 0.00 ? 9 DT A "O5'" 8 +ATOM 4226 C "C5'" . DT A 1 13 ? -3.528 -2.412 28.340 1.00 0.00 ? 9 DT A "C5'" 8 +ATOM 4227 C "C4'" . DT A 1 13 ? -2.025 -2.073 28.261 1.00 0.00 ? 9 DT A "C4'" 8 +ATOM 4228 O "O4'" . DT A 1 13 ? -1.740 -0.927 27.445 1.00 0.00 ? 9 DT A "O4'" 8 +ATOM 4229 C "C3'" . DT A 1 13 ? -1.419 -1.857 29.652 1.00 0.00 ? 9 DT A "C3'" 8 +ATOM 4230 O "O3'" . DT A 1 13 ? -0.800 -3.019 30.154 1.00 0.00 ? 9 DT A "O3'" 8 +ATOM 4231 C "C2'" . DT A 1 13 ? -0.353 -0.812 29.340 1.00 0.00 ? 9 DT A "C2'" 8 +ATOM 4232 C "C1'" . DT A 1 13 ? -0.850 -0.046 28.117 1.00 0.00 ? 9 DT A "C1'" 8 +ATOM 4233 N N1 . DT A 1 13 ? -1.560 1.222 28.386 1.00 0.00 ? 9 DT A N1 8 +ATOM 4234 C C2 . DT A 1 13 ? -1.603 2.161 27.355 1.00 0.00 ? 9 DT A C2 8 +ATOM 4235 O O2 . DT A 1 13 ? -0.847 2.153 26.396 1.00 0.00 ? 9 DT A O2 8 +ATOM 4236 N N3 . DT A 1 13 ? -2.538 3.158 27.451 1.00 0.00 ? 9 DT A N3 8 +ATOM 4237 C C4 . DT A 1 13 ? -3.438 3.309 28.477 1.00 0.00 ? 9 DT A C4 8 +ATOM 4238 O O4 . DT A 1 13 ? -4.198 4.266 28.441 1.00 0.00 ? 9 DT A O4 8 +ATOM 4239 C C5 . DT A 1 13 ? -3.349 2.295 29.529 1.00 0.00 ? 9 DT A C5 8 +ATOM 4240 C C7 . DT A 1 13 ? -4.431 2.137 30.581 1.00 0.00 ? 9 DT A C7 8 +ATOM 4241 C C6 . DT A 1 13 ? -2.425 1.305 29.444 1.00 0.00 ? 9 DT A C6 8 +ATOM 4242 H "H5'" . DT A 1 13 ? -3.852 -2.745 27.354 1.00 0.00 ? 9 DT A "H5'" 8 +ATOM 4243 H "H5''" . DT A 1 13 ? -3.659 -3.254 29.022 1.00 0.00 ? 9 DT A "H5''" 8 +ATOM 4244 H "H4'" . DT A 1 13 ? -1.520 -2.921 27.797 1.00 0.00 ? 9 DT A "H4'" 8 +ATOM 4245 H "H3'" . DT A 1 13 ? -2.183 -1.509 30.347 1.00 0.00 ? 9 DT A "H3'" 8 +ATOM 4246 H "H2'" . DT A 1 13 ? -0.080 -0.205 30.192 1.00 0.00 ? 9 DT A "H2'" 8 +ATOM 4247 H "H2''" . DT A 1 13 ? 0.543 -1.337 29.037 1.00 0.00 ? 9 DT A "H2''" 8 +ATOM 4248 H "H1'" . DT A 1 13 ? 0.020 0.212 27.515 1.00 0.00 ? 9 DT A "H1'" 8 +ATOM 4249 H H3 . DT A 1 13 ? -2.620 3.802 26.686 1.00 0.00 ? 9 DT A H3 8 +ATOM 4250 H H71 . DT A 1 13 ? -5.158 2.951 30.551 1.00 0.00 ? 9 DT A H71 8 +ATOM 4251 H H72 . DT A 1 13 ? -4.937 1.203 30.316 1.00 0.00 ? 9 DT A H72 8 +ATOM 4252 H H73 . DT A 1 13 ? -4.009 2.057 31.584 1.00 0.00 ? 9 DT A H73 8 +ATOM 4253 H H6 . DT A 1 13 ? -2.381 0.531 30.191 1.00 0.00 ? 9 DT A H6 8 +ATOM 4254 P P . DT A 1 14 B -0.242 -3.063 31.658 1.00 0.00 ? 1 DT A P 8 +ATOM 4255 O OP1 . DT A 1 14 B -1.393 -2.987 32.581 1.00 0.00 ? 1 DT A OP1 8 +ATOM 4256 O OP2 . DT A 1 14 B 0.863 -2.087 31.779 1.00 0.00 ? 1 DT A OP2 8 +ATOM 4257 O "O5'" . DT A 1 14 B 0.384 -4.539 31.731 1.00 0.00 ? 1 DT A "O5'" 8 +ATOM 4258 C "C5'" . DT A 1 14 B 1.581 -4.863 31.044 1.00 0.00 ? 1 DT A "C5'" 8 +ATOM 4259 C "C4'" . DT A 1 14 B 1.410 -6.165 30.245 1.00 0.00 ? 1 DT A "C4'" 8 +ATOM 4260 O "O4'" . DT A 1 14 B 0.507 -5.963 29.154 1.00 0.00 ? 1 DT A "O4'" 8 +ATOM 4261 C "C3'" . DT A 1 14 B 2.755 -6.596 29.636 1.00 0.00 ? 1 DT A "C3'" 8 +ATOM 4262 O "O3'" . DT A 1 14 B 2.820 -8.016 29.631 1.00 0.00 ? 1 DT A "O3'" 8 +ATOM 4263 C "C2'" . DT A 1 14 B 2.644 -5.954 28.264 1.00 0.00 ? 1 DT A "C2'" 8 +ATOM 4264 C "C1'" . DT A 1 14 B 1.186 -6.211 27.939 1.00 0.00 ? 1 DT A "C1'" 8 +ATOM 4265 N N1 . DT A 1 14 B 0.692 -5.314 26.866 1.00 0.00 ? 1 DT A N1 8 +ATOM 4266 C C2 . DT A 1 14 B 0.092 -5.911 25.759 1.00 0.00 ? 1 DT A C2 8 +ATOM 4267 O O2 . DT A 1 14 B -0.304 -7.068 25.720 1.00 0.00 ? 1 DT A O2 8 +ATOM 4268 N N3 . DT A 1 14 B -0.068 -5.127 24.648 1.00 0.00 ? 1 DT A N3 8 +ATOM 4269 C C4 . DT A 1 14 B 0.286 -3.807 24.549 1.00 0.00 ? 1 DT A C4 8 +ATOM 4270 O O4 . DT A 1 14 B 0.231 -3.286 23.442 1.00 0.00 ? 1 DT A O4 8 +ATOM 4271 C C5 . DT A 1 14 B 0.724 -3.180 25.802 1.00 0.00 ? 1 DT A C5 8 +ATOM 4272 C C7 . DT A 1 14 B 0.995 -1.674 25.852 1.00 0.00 ? 1 DT A C7 8 +ATOM 4273 C C6 . DT A 1 14 B 0.914 -3.951 26.914 1.00 0.00 ? 1 DT A C6 8 +ATOM 4274 H "H5'" . DT A 1 14 B 2.358 -4.999 31.798 1.00 0.00 ? 1 DT A "H5'" 8 +ATOM 4275 H "H5''" . DT A 1 14 B 1.907 -4.074 30.362 1.00 0.00 ? 1 DT A "H5''" 8 +ATOM 4276 H "H4'" . DT A 1 14 B 1.026 -6.937 30.914 1.00 0.00 ? 1 DT A "H4'" 8 +ATOM 4277 H "H3'" . DT A 1 14 B 3.602 -6.152 30.155 1.00 0.00 ? 1 DT A "H3'" 8 +ATOM 4278 H "H2'" . DT A 1 14 B 2.893 -4.900 28.356 1.00 0.00 ? 1 DT A "H2'" 8 +ATOM 4279 H "H2''" . DT A 1 14 B 3.282 -6.414 27.525 1.00 0.00 ? 1 DT A "H2''" 8 +ATOM 4280 H "H1'" . DT A 1 14 B 1.149 -7.264 27.661 1.00 0.00 ? 1 DT A "H1'" 8 +ATOM 4281 H H3 . DT A 1 14 B -0.471 -5.555 23.838 1.00 0.00 ? 1 DT A H3 8 +ATOM 4282 H H71 . DT A 1 14 B 1.563 -1.398 26.741 1.00 0.00 ? 1 DT A H71 8 +ATOM 4283 H H72 . DT A 1 14 B 0.046 -1.121 25.835 1.00 0.00 ? 1 DT A H72 8 +ATOM 4284 H H73 . DT A 1 14 B 1.576 -1.376 24.976 1.00 0.00 ? 1 DT A H73 8 +ATOM 4285 H H6 . DT A 1 14 B 1.254 -3.526 27.862 1.00 0.00 ? 1 DT A H6 8 +ATOM 4286 P P . DU A 1 15 B 3.859 -8.838 28.725 1.00 0.00 ? 2 DU A P 8 +ATOM 4287 O OP1 . DU A 1 15 B 3.927 -10.235 29.197 1.00 0.00 ? 2 DU A OP1 8 +ATOM 4288 O OP2 . DU A 1 15 B 5.095 -8.039 28.574 1.00 0.00 ? 2 DU A OP2 8 +ATOM 4289 O "O5'" . DU A 1 15 B 3.072 -8.818 27.325 1.00 0.00 ? 2 DU A "O5'" 8 +ATOM 4290 C "C5'" . DU A 1 15 B 3.696 -9.133 26.101 1.00 0.00 ? 2 DU A "C5'" 8 +ATOM 4291 C "C4'" . DU A 1 15 B 2.905 -8.497 24.928 1.00 0.00 ? 2 DU A "C4'" 8 +ATOM 4292 O "O4'" . DU A 1 15 B 2.588 -7.108 25.074 1.00 0.00 ? 2 DU A "O4'" 8 +ATOM 4293 C "C3'" . DU A 1 15 B 3.532 -8.687 23.540 1.00 0.00 ? 2 DU A "C3'" 8 +ATOM 4294 O "O3'" . DU A 1 15 B 2.651 -9.477 22.726 1.00 0.00 ? 2 DU A "O3'" 8 +ATOM 4295 C "C2'" . DU A 1 15 B 3.695 -7.259 22.988 1.00 0.00 ? 2 DU A "C2'" 8 +ATOM 4296 C "C1'" . DU A 1 15 B 3.064 -6.306 23.990 1.00 0.00 ? 2 DU A "C1'" 8 +ATOM 4297 N N1 . DU A 1 15 B 3.994 -5.347 24.556 1.00 0.00 ? 2 DU A N1 8 +ATOM 4298 C C2 . DU A 1 15 B 3.895 -4.005 24.524 1.00 0.00 ? 2 DU A C2 8 +ATOM 4299 O O2 . DU A 1 15 B 3.237 -3.398 23.692 1.00 0.00 ? 2 DU A O2 8 +ATOM 4300 N N3 . DU A 1 15 B 4.473 -3.258 25.529 1.00 0.00 ? 2 DU A N3 8 +ATOM 4301 C C4 . DU A 1 15 B 5.060 -3.794 26.656 1.00 0.00 ? 2 DU A C4 8 +ATOM 4302 O O4 . DU A 1 15 B 5.353 -3.048 27.578 1.00 0.00 ? 2 DU A O4 8 +ATOM 4303 C C5 . DU A 1 15 B 5.290 -5.226 26.589 1.00 0.00 ? 2 DU A C5 8 +ATOM 4304 C C6 . DU A 1 15 B 4.906 -5.938 25.520 1.00 0.00 ? 2 DU A C6 8 +ATOM 4305 H "H5'" . DU A 1 15 B 3.674 -10.217 25.979 1.00 0.00 ? 2 DU A "H5'" 8 +ATOM 4306 H "H5''" . DU A 1 15 B 4.741 -8.834 26.083 1.00 0.00 ? 2 DU A "H5''" 8 +ATOM 4307 H "H4'" . DU A 1 15 B 1.931 -8.950 25.002 1.00 0.00 ? 2 DU A "H4'" 8 +ATOM 4308 H "H3'" . DU A 1 15 B 4.511 -9.182 23.656 1.00 0.00 ? 2 DU A "H3'" 8 +ATOM 4309 H "H2'" . DU A 1 15 B 4.751 -7.023 22.801 1.00 0.00 ? 2 DU A "H2'" 8 +ATOM 4310 H "H2''" . DU A 1 15 B 3.152 -7.155 22.048 1.00 0.00 ? 2 DU A "H2''" 8 +ATOM 4311 H "H1'" . DU A 1 15 B 2.198 -5.805 23.534 1.00 0.00 ? 2 DU A "H1'" 8 +ATOM 4312 H H3 . DU A 1 15 B 4.293 -2.274 25.524 1.00 0.00 ? 2 DU A H3 8 +ATOM 4313 H H5 . DU A 1 15 B 5.659 -5.844 27.384 1.00 0.00 ? 2 DU A H5 8 +ATOM 4314 H H6 . DU A 1 15 B 5.189 -6.966 25.437 1.00 0.00 ? 2 DU A H6 8 +ATOM 4315 P P . DG A 1 16 B 3.360 -9.967 21.354 1.00 0.00 ? 3 DG A P 8 +ATOM 4316 O OP1 . DG A 1 16 B 4.480 -10.851 21.745 1.00 0.00 ? 3 DG A OP1 8 +ATOM 4317 O OP2 . DG A 1 16 B 3.631 -8.800 20.486 1.00 0.00 ? 3 DG A OP2 8 +ATOM 4318 O "O5'" . DG A 1 16 B 2.237 -10.881 20.644 1.00 0.00 ? 3 DG A "O5'" 8 +ATOM 4319 C "C5'" . DG A 1 16 B 1.225 -10.341 19.806 1.00 0.00 ? 3 DG A "C5'" 8 +ATOM 4320 C "C4'" . DG A 1 16 B 0.098 -9.598 20.555 1.00 0.00 ? 3 DG A "C4'" 8 +ATOM 4321 O "O4'" . DG A 1 16 B 0.537 -8.315 20.997 1.00 0.00 ? 3 DG A "O4'" 8 +ATOM 4322 C "C3'" . DG A 1 16 B -1.102 -9.360 19.617 1.00 0.00 ? 3 DG A "C3'" 8 +ATOM 4323 O "O3'" . DG A 1 16 B -2.317 -9.475 20.335 1.00 0.00 ? 3 DG A "O3'" 8 +ATOM 4324 C "C2'" . DG A 1 16 B -0.873 -7.920 19.187 1.00 0.00 ? 3 DG A "C2'" 8 +ATOM 4325 C "C1'" . DG A 1 16 B -0.334 -7.325 20.482 1.00 0.00 ? 3 DG A "C1'" 8 +ATOM 4326 N N9 . DG A 1 16 B 0.407 -6.074 20.231 1.00 0.00 ? 3 DG A N9 8 +ATOM 4327 C C8 . DG A 1 16 B 1.667 -5.915 19.712 1.00 0.00 ? 3 DG A C8 8 +ATOM 4328 N N7 . DG A 1 16 B 2.052 -4.672 19.621 1.00 0.00 ? 3 DG A N7 8 +ATOM 4329 C C5 . DG A 1 16 B 0.941 -3.948 20.071 1.00 0.00 ? 3 DG A C5 8 +ATOM 4330 C C6 . DG A 1 16 B 0.674 -2.538 20.139 1.00 0.00 ? 3 DG A C6 8 +ATOM 4331 O O6 . DG A 1 16 B 1.431 -1.606 19.908 1.00 0.00 ? 3 DG A O6 8 +ATOM 4332 N N1 . DG A 1 16 B -0.621 -2.216 20.501 1.00 0.00 ? 3 DG A N1 8 +ATOM 4333 C C2 . DG A 1 16 B -1.547 -3.149 20.828 1.00 0.00 ? 3 DG A C2 8 +ATOM 4334 N N2 . DG A 1 16 B -2.767 -2.719 20.982 1.00 0.00 ? 3 DG A N2 8 +ATOM 4335 N N3 . DG A 1 16 B -1.341 -4.465 20.796 1.00 0.00 ? 3 DG A N3 8 +ATOM 4336 C C4 . DG A 1 16 B -0.078 -4.803 20.411 1.00 0.00 ? 3 DG A C4 8 +ATOM 4337 H "H5'" . DG A 1 16 B 0.782 -11.207 19.313 1.00 0.00 ? 3 DG A "H5'" 8 +ATOM 4338 H "H5''" . DG A 1 16 B 1.652 -9.705 19.027 1.00 0.00 ? 3 DG A "H5''" 8 +ATOM 4339 H "H4'" . DG A 1 16 B -0.211 -10.205 21.409 1.00 0.00 ? 3 DG A "H4'" 8 +ATOM 4340 H "H3'" . DG A 1 16 B -1.073 -10.040 18.763 1.00 0.00 ? 3 DG A "H3'" 8 +ATOM 4341 H "H2'" . DG A 1 16 B -0.118 -7.889 18.400 1.00 0.00 ? 3 DG A "H2'" 8 +ATOM 4342 H "H2''" . DG A 1 16 B -1.783 -7.425 18.856 1.00 0.00 ? 3 DG A "H2''" 8 +ATOM 4343 H "H1'" . DG A 1 16 B -1.149 -7.169 21.193 1.00 0.00 ? 3 DG A "H1'" 8 +ATOM 4344 H H8 . DG A 1 16 B 2.287 -6.740 19.387 1.00 0.00 ? 3 DG A H8 8 +ATOM 4345 H H1 . DG A 1 16 B -0.878 -1.235 20.479 1.00 0.00 ? 3 DG A H1 8 +ATOM 4346 H H21 . DG A 1 16 B -2.988 -1.736 20.907 1.00 0.00 ? 3 DG A H21 8 +ATOM 4347 H H22 . DG A 1 16 B -3.461 -3.439 21.079 1.00 0.00 ? 3 DG A H22 8 +ATOM 4348 P P . DG A 1 17 B -3.729 -9.627 19.577 1.00 0.00 ? 4 DG A P 8 +ATOM 4349 O OP1 . DG A 1 17 B -4.697 -10.185 20.545 1.00 0.00 ? 4 DG A OP1 8 +ATOM 4350 O OP2 . DG A 1 17 B -3.480 -10.337 18.305 1.00 0.00 ? 4 DG A OP2 8 +ATOM 4351 O "O5'" . DG A 1 17 B -4.175 -8.115 19.229 1.00 0.00 ? 4 DG A "O5'" 8 +ATOM 4352 C "C5'" . DG A 1 17 B -4.902 -7.322 20.156 1.00 0.00 ? 4 DG A "C5'" 8 +ATOM 4353 C "C4'" . DG A 1 17 B -5.356 -5.975 19.557 1.00 0.00 ? 4 DG A "C4'" 8 +ATOM 4354 O "O4'" . DG A 1 17 B -4.283 -5.032 19.497 1.00 0.00 ? 4 DG A "O4'" 8 +ATOM 4355 C "C3'" . DG A 1 17 B -5.925 -6.105 18.126 1.00 0.00 ? 4 DG A "C3'" 8 +ATOM 4356 O "O3'" . DG A 1 17 B -7.060 -5.263 17.995 1.00 0.00 ? 4 DG A "O3'" 8 +ATOM 4357 C "C2'" . DG A 1 17 B -4.750 -5.560 17.321 1.00 0.00 ? 4 DG A "C2'" 8 +ATOM 4358 C "C1'" . DG A 1 17 B -4.338 -4.409 18.227 1.00 0.00 ? 4 DG A "C1'" 8 +ATOM 4359 N N9 . DG A 1 17 B -3.043 -3.812 17.849 1.00 0.00 ? 4 DG A N9 8 +ATOM 4360 C C8 . DG A 1 17 B -1.842 -4.422 17.608 1.00 0.00 ? 4 DG A C8 8 +ATOM 4361 N N7 . DG A 1 17 B -0.874 -3.600 17.302 1.00 0.00 ? 4 DG A N7 8 +ATOM 4362 C C5 . DG A 1 17 B -1.493 -2.343 17.313 1.00 0.00 ? 4 DG A C5 8 +ATOM 4363 C C6 . DG A 1 17 B -1.013 -1.019 17.023 1.00 0.00 ? 4 DG A C6 8 +ATOM 4364 O O6 . DG A 1 17 B 0.120 -0.657 16.728 1.00 0.00 ? 4 DG A O6 8 +ATOM 4365 N N1 . DG A 1 17 B -1.986 -0.036 17.065 1.00 0.00 ? 4 DG A N1 8 +ATOM 4366 C C2 . DG A 1 17 B -3.277 -0.295 17.388 1.00 0.00 ? 4 DG A C2 8 +ATOM 4367 N N2 . DG A 1 17 B -4.125 0.691 17.323 1.00 0.00 ? 4 DG A N2 8 +ATOM 4368 N N3 . DG A 1 17 B -3.760 -1.495 17.673 1.00 0.00 ? 4 DG A N3 8 +ATOM 4369 C C4 . DG A 1 17 B -2.825 -2.480 17.619 1.00 0.00 ? 4 DG A C4 8 +ATOM 4370 H "H5'" . DG A 1 17 B -4.304 -7.140 21.051 1.00 0.00 ? 4 DG A "H5'" 8 +ATOM 4371 H "H5''" . DG A 1 17 B -5.807 -7.859 20.449 1.00 0.00 ? 4 DG A "H5''" 8 +ATOM 4372 H "H4'" . DG A 1 17 B -6.124 -5.581 20.227 1.00 0.00 ? 4 DG A "H4'" 8 +ATOM 4373 H "H3'" . DG A 1 17 B -6.169 -7.138 17.865 1.00 0.00 ? 4 DG A "H3'" 8 +ATOM 4374 H "H2'" . DG A 1 17 B -3.968 -6.316 17.272 1.00 0.00 ? 4 DG A "H2'" 8 +ATOM 4375 H "H2''" . DG A 1 17 B -5.016 -5.257 16.316 1.00 0.00 ? 4 DG A "H2''" 8 +ATOM 4376 H "H1'" . DG A 1 17 B -5.114 -3.641 18.220 1.00 0.00 ? 4 DG A "H1'" 8 +ATOM 4377 H H8 . DG A 1 17 B -1.711 -5.490 17.667 1.00 0.00 ? 4 DG A H8 8 +ATOM 4378 H H1 . DG A 1 17 B -1.682 0.903 16.832 1.00 0.00 ? 4 DG A H1 8 +ATOM 4379 H H21 . DG A 1 17 B -3.829 1.621 17.073 1.00 0.00 ? 4 DG A H21 8 +ATOM 4380 H H22 . DG A 1 17 B -5.086 0.431 17.465 1.00 0.00 ? 4 DG A H22 8 +ATOM 4381 P P . DA A 1 18 B -7.901 -5.149 16.626 1.00 0.00 ? 5 DA A P 8 +ATOM 4382 O OP1 . DA A 1 18 B -9.336 -5.224 16.975 1.00 0.00 ? 5 DA A OP1 8 +ATOM 4383 O OP2 . DA A 1 18 B -7.336 -6.100 15.646 1.00 0.00 ? 5 DA A OP2 8 +ATOM 4384 O "O5'" . DA A 1 18 B -7.589 -3.649 16.106 1.00 0.00 ? 5 DA A "O5'" 8 +ATOM 4385 C "C5'" . DA A 1 18 B -8.136 -2.512 16.763 1.00 0.00 ? 5 DA A "C5'" 8 +ATOM 4386 C "C4'" . DA A 1 18 B -7.936 -1.203 15.971 1.00 0.00 ? 5 DA A "C4'" 8 +ATOM 4387 O "O4'" . DA A 1 18 B -6.567 -0.812 15.939 1.00 0.00 ? 5 DA A "O4'" 8 +ATOM 4388 C "C3'" . DA A 1 18 B -8.432 -1.294 14.515 1.00 0.00 ? 5 DA A "C3'" 8 +ATOM 4389 O "O3'" . DA A 1 18 B -9.137 -0.117 14.159 1.00 0.00 ? 5 DA A "O3'" 8 +ATOM 4390 C "C2'" . DA A 1 18 B -7.122 -1.398 13.760 1.00 0.00 ? 5 DA A "C2'" 8 +ATOM 4391 C "C1'" . DA A 1 18 B -6.215 -0.506 14.603 1.00 0.00 ? 5 DA A "C1'" 8 +ATOM 4392 N N9 . DA A 1 18 B -4.804 -0.870 14.406 1.00 0.00 ? 5 DA A N9 8 +ATOM 4393 C C8 . DA A 1 18 B -4.246 -2.112 14.537 1.00 0.00 ? 5 DA A C8 8 +ATOM 4394 N N7 . DA A 1 18 B -2.962 -2.157 14.314 1.00 0.00 ? 5 DA A N7 8 +ATOM 4395 C C5 . DA A 1 18 B -2.655 -0.827 14.006 1.00 0.00 ? 5 DA A C5 8 +ATOM 4396 C C6 . DA A 1 18 B -1.479 -0.134 13.645 1.00 0.00 ? 5 DA A C6 8 +ATOM 4397 N N6 . DA A 1 18 B -0.297 -0.706 13.537 1.00 0.00 ? 5 DA A N6 8 +ATOM 4398 N N1 . DA A 1 18 B -1.502 1.174 13.364 1.00 0.00 ? 5 DA A N1 8 +ATOM 4399 C C2 . DA A 1 18 B -2.661 1.814 13.474 1.00 0.00 ? 5 DA A C2 8 +ATOM 4400 N N3 . DA A 1 18 B -3.840 1.299 13.807 1.00 0.00 ? 5 DA A N3 8 +ATOM 4401 C C4 . DA A 1 18 B -3.772 -0.037 14.060 1.00 0.00 ? 5 DA A C4 8 +ATOM 4402 H "H5'" . DA A 1 18 B -7.684 -2.406 17.751 1.00 0.00 ? 5 DA A "H5'" 8 +ATOM 4403 H "H5''" . DA A 1 18 B -9.213 -2.643 16.890 1.00 0.00 ? 5 DA A "H5''" 8 +ATOM 4404 H "H4'" . DA A 1 18 B -8.494 -0.423 16.493 1.00 0.00 ? 5 DA A "H4'" 8 +ATOM 4405 H "H3'" . DA A 1 18 B -9.026 -2.192 14.346 1.00 0.00 ? 5 DA A "H3'" 8 +ATOM 4406 H "H2'" . DA A 1 18 B -6.821 -2.445 13.784 1.00 0.00 ? 5 DA A "H2'" 8 +ATOM 4407 H "H2''" . DA A 1 18 B -7.209 -1.081 12.728 1.00 0.00 ? 5 DA A "H2''" 8 +ATOM 4408 H "H1'" . DA A 1 18 B -6.412 0.549 14.396 1.00 0.00 ? 5 DA A "H1'" 8 +ATOM 4409 H H8 . DA A 1 18 B -4.844 -2.972 14.790 1.00 0.00 ? 5 DA A H8 8 +ATOM 4410 H H61 . DA A 1 18 B 0.480 -0.130 13.251 1.00 0.00 ? 5 DA A H61 8 +ATOM 4411 H H62 . DA A 1 18 B -0.200 -1.678 13.773 1.00 0.00 ? 5 DA A H62 8 +ATOM 4412 H H2 . DA A 1 18 B -2.651 2.869 13.252 1.00 0.00 ? 5 DA A H2 8 +ATOM 4413 P P . DT A 1 19 B -9.849 0.053 12.724 1.00 0.00 ? 6 DT A P 8 +ATOM 4414 O OP1 . DT A 1 19 B -11.188 0.640 12.946 1.00 0.00 ? 6 DT A OP1 8 +ATOM 4415 O OP2 . DT A 1 19 B -9.715 -1.215 11.976 1.00 0.00 ? 6 DT A OP2 8 +ATOM 4416 O "O5'" . DT A 1 19 B -8.930 1.159 11.997 1.00 0.00 ? 6 DT A "O5'" 8 +ATOM 4417 C "C5'" . DT A 1 19 B -8.959 2.516 12.413 1.00 0.00 ? 6 DT A "C5'" 8 +ATOM 4418 C "C4'" . DT A 1 19 B -8.023 3.403 11.573 1.00 0.00 ? 6 DT A "C4'" 8 +ATOM 4419 O "O4'" . DT A 1 19 B -6.667 3.007 11.752 1.00 0.00 ? 6 DT A "O4'" 8 +ATOM 4420 C "C3'" . DT A 1 19 B -8.331 3.378 10.061 1.00 0.00 ? 6 DT A "C3'" 8 +ATOM 4421 O "O3'" . DT A 1 19 B -8.332 4.693 9.535 1.00 0.00 ? 6 DT A "O3'" 8 +ATOM 4422 C "C2'" . DT A 1 19 B -7.151 2.576 9.525 1.00 0.00 ? 6 DT A "C2'" 8 +ATOM 4423 C "C1'" . DT A 1 19 B -6.044 2.996 10.486 1.00 0.00 ? 6 DT A "C1'" 8 +ATOM 4424 N N1 . DT A 1 19 B -4.904 2.044 10.503 1.00 0.00 ? 6 DT A N1 8 +ATOM 4425 C C2 . DT A 1 19 B -3.638 2.538 10.194 1.00 0.00 ? 6 DT A C2 8 +ATOM 4426 O O2 . DT A 1 19 B -3.396 3.704 9.924 1.00 0.00 ? 6 DT A O2 8 +ATOM 4427 N N3 . DT A 1 19 B -2.610 1.633 10.163 1.00 0.00 ? 6 DT A N3 8 +ATOM 4428 C C4 . DT A 1 19 B -2.725 0.284 10.381 1.00 0.00 ? 6 DT A C4 8 +ATOM 4429 O O4 . DT A 1 19 B -1.728 -0.410 10.243 1.00 0.00 ? 6 DT A O4 8 +ATOM 4430 C C5 . DT A 1 19 B -4.061 -0.180 10.752 1.00 0.00 ? 6 DT A C5 8 +ATOM 4431 C C7 . DT A 1 19 B -4.335 -1.664 11.010 1.00 0.00 ? 6 DT A C7 8 +ATOM 4432 C C6 . DT A 1 19 B -5.089 0.707 10.809 1.00 0.00 ? 6 DT A C6 8 +ATOM 4433 H "H5'" . DT A 1 19 B -8.658 2.589 13.460 1.00 0.00 ? 6 DT A "H5'" 8 +ATOM 4434 H "H5''" . DT A 1 19 B -9.973 2.911 12.315 1.00 0.00 ? 6 DT A "H5''" 8 +ATOM 4435 H "H4'" . DT A 1 19 B -8.126 4.425 11.942 1.00 0.00 ? 6 DT A "H4'" 8 +ATOM 4436 H "H3'" . DT A 1 19 B -9.284 2.881 9.861 1.00 0.00 ? 6 DT A "H3'" 8 +ATOM 4437 H "H2'" . DT A 1 19 B -7.396 1.525 9.617 1.00 0.00 ? 6 DT A "H2'" 8 +ATOM 4438 H "H2''" . DT A 1 19 B -6.914 2.801 8.488 1.00 0.00 ? 6 DT A "H2''" 8 +ATOM 4439 H "H1'" . DT A 1 19 B -5.763 4.017 10.233 1.00 0.00 ? 6 DT A "H1'" 8 +ATOM 4440 H H3 . DT A 1 19 B -1.700 2.003 9.915 1.00 0.00 ? 6 DT A H3 8 +ATOM 4441 H H71 . DT A 1 19 B -4.444 -2.184 10.057 1.00 0.00 ? 6 DT A H71 8 +ATOM 4442 H H72 . DT A 1 19 B -3.508 -2.118 11.557 1.00 0.00 ? 6 DT A H72 8 +ATOM 4443 H H73 . DT A 1 19 B -5.246 -1.818 11.589 1.00 0.00 ? 6 DT A H73 8 +ATOM 4444 H H6 . DT A 1 19 B -6.064 0.357 11.121 1.00 0.00 ? 6 DT A H6 8 +ATOM 4445 P P . DC A 1 20 B -8.710 4.993 7.998 1.00 0.00 ? 7 DC A P 8 +ATOM 4446 O OP1 . DC A 1 20 B -9.549 6.209 7.963 1.00 0.00 ? 7 DC A OP1 8 +ATOM 4447 O OP2 . DC A 1 20 B -9.198 3.742 7.379 1.00 0.00 ? 7 DC A OP2 8 +ATOM 4448 O "O5'" . DC A 1 20 B -7.283 5.348 7.341 1.00 0.00 ? 7 DC A "O5'" 8 +ATOM 4449 C "C5'" . DC A 1 20 B -6.642 6.583 7.621 1.00 0.00 ? 7 DC A "C5'" 8 +ATOM 4450 C "C4'" . DC A 1 20 B -5.295 6.714 6.890 1.00 0.00 ? 7 DC A "C4'" 8 +ATOM 4451 O "O4'" . DC A 1 20 B -4.371 5.739 7.365 1.00 0.00 ? 7 DC A "O4'" 8 +ATOM 4452 C "C3'" . DC A 1 20 B -5.400 6.557 5.358 1.00 0.00 ? 7 DC A "C3'" 8 +ATOM 4453 O "O3'" . DC A 1 20 B -4.624 7.555 4.720 1.00 0.00 ? 7 DC A "O3'" 8 +ATOM 4454 C "C2'" . DC A 1 20 B -4.773 5.182 5.163 1.00 0.00 ? 7 DC A "C2'" 8 +ATOM 4455 C "C1'" . DC A 1 20 B -3.699 5.208 6.246 1.00 0.00 ? 7 DC A "C1'" 8 +ATOM 4456 N N1 . DC A 1 20 B -3.205 3.843 6.550 1.00 0.00 ? 7 DC A N1 8 +ATOM 4457 C C2 . DC A 1 20 B -1.852 3.565 6.379 1.00 0.00 ? 7 DC A C2 8 +ATOM 4458 O O2 . DC A 1 20 B -1.053 4.438 6.071 1.00 0.00 ? 7 DC A O2 8 +ATOM 4459 N N3 . DC A 1 20 B -1.384 2.300 6.529 1.00 0.00 ? 7 DC A N3 8 +ATOM 4460 C C4 . DC A 1 20 B -2.229 1.358 6.903 1.00 0.00 ? 7 DC A C4 8 +ATOM 4461 N N4 . DC A 1 20 B -1.724 0.165 7.036 1.00 0.00 ? 7 DC A N4 8 +ATOM 4462 C C5 . DC A 1 20 B -3.620 1.582 7.113 1.00 0.00 ? 7 DC A C5 8 +ATOM 4463 C C6 . DC A 1 20 B -4.067 2.847 6.933 1.00 0.00 ? 7 DC A C6 8 +ATOM 4464 H "H5'" . DC A 1 20 B -6.464 6.675 8.695 1.00 0.00 ? 7 DC A "H5'" 8 +ATOM 4465 H "H5''" . DC A 1 20 B -7.280 7.410 7.302 1.00 0.00 ? 7 DC A "H5''" 8 +ATOM 4466 H "H4'" . DC A 1 20 B -4.894 7.702 7.125 1.00 0.00 ? 7 DC A "H4'" 8 +ATOM 4467 H "H3'" . DC A 1 20 B -6.439 6.590 5.017 1.00 0.00 ? 7 DC A "H3'" 8 +ATOM 4468 H "H2'" . DC A 1 20 B -5.538 4.430 5.361 1.00 0.00 ? 7 DC A "H2'" 8 +ATOM 4469 H "H2''" . DC A 1 20 B -4.365 5.028 4.168 1.00 0.00 ? 7 DC A "H2''" 8 +ATOM 4470 H "H1'" . DC A 1 20 B -2.914 5.912 5.958 1.00 0.00 ? 7 DC A "H1'" 8 +ATOM 4471 H H41 . DC A 1 20 B -0.736 0.117 6.841 1.00 0.00 ? 7 DC A H41 8 +ATOM 4472 H H42 . DC A 1 20 B -2.271 -0.605 7.367 1.00 0.00 ? 7 DC A H42 8 +ATOM 4473 H H5 . DC A 1 20 B -4.307 0.805 7.402 1.00 0.00 ? 7 DC A H5 8 +ATOM 4474 H H6 . DC A 1 20 B -5.114 3.073 7.091 1.00 0.00 ? 7 DC A H6 8 +ATOM 4475 P P . DC A 1 21 B -4.582 7.721 3.119 1.00 0.00 ? 8 DC A P 8 +ATOM 4476 O OP1 . DC A 1 21 B -4.845 9.139 2.800 1.00 0.00 ? 8 DC A OP1 8 +ATOM 4477 O OP2 . DC A 1 21 B -5.408 6.659 2.507 1.00 0.00 ? 8 DC A OP2 8 +ATOM 4478 O "O5'" . DC A 1 21 B -3.038 7.405 2.780 1.00 0.00 ? 8 DC A "O5'" 8 +ATOM 4479 C "C5'" . DC A 1 21 B -2.007 8.286 3.196 1.00 0.00 ? 8 DC A "C5'" 8 +ATOM 4480 C "C4'" . DC A 1 21 B -0.615 7.810 2.742 1.00 0.00 ? 8 DC A "C4'" 8 +ATOM 4481 O "O4'" . DC A 1 21 B -0.286 6.560 3.343 1.00 0.00 ? 8 DC A "O4'" 8 +ATOM 4482 C "C3'" . DC A 1 21 B -0.489 7.656 1.215 1.00 0.00 ? 8 DC A "C3'" 8 +ATOM 4483 O "O3'" . DC A 1 21 B 0.748 8.185 0.769 1.00 0.00 ? 8 DC A "O3'" 8 +ATOM 4484 C "C2'" . DC A 1 21 B -0.546 6.150 1.064 1.00 0.00 ? 8 DC A "C2'" 8 +ATOM 4485 C "C1'" . DC A 1 21 B 0.135 5.661 2.336 1.00 0.00 ? 8 DC A "C1'" 8 +ATOM 4486 N N1 . DC A 1 21 B -0.332 4.293 2.670 1.00 0.00 ? 8 DC A N1 8 +ATOM 4487 C C2 . DC A 1 21 B 0.561 3.230 2.577 1.00 0.00 ? 8 DC A C2 8 +ATOM 4488 O O2 . DC A 1 21 B 1.718 3.387 2.214 1.00 0.00 ? 8 DC A O2 8 +ATOM 4489 N N3 . DC A 1 21 B 0.165 1.970 2.891 1.00 0.00 ? 8 DC A N3 8 +ATOM 4490 C C4 . DC A 1 21 B -1.080 1.781 3.292 1.00 0.00 ? 8 DC A C4 8 +ATOM 4491 N N4 . DC A 1 21 B -1.400 0.559 3.605 1.00 0.00 ? 8 DC A N4 8 +ATOM 4492 C C5 . DC A 1 21 B -2.053 2.817 3.360 1.00 0.00 ? 8 DC A C5 8 +ATOM 4493 C C6 . DC A 1 21 B -1.634 4.065 3.044 1.00 0.00 ? 8 DC A C6 8 +ATOM 4494 H "H5'" . DC A 1 21 B -2.005 8.366 4.285 1.00 0.00 ? 8 DC A "H5'" 8 +ATOM 4495 H "H5''" . DC A 1 21 B -2.176 9.280 2.776 1.00 0.00 ? 8 DC A "H5''" 8 +ATOM 4496 H "H4'" . DC A 1 21 B 0.107 8.552 3.089 1.00 0.00 ? 8 DC A "H4'" 8 +ATOM 4497 H "H3'" . DC A 1 21 B -1.331 8.094 0.679 1.00 0.00 ? 8 DC A "H3'" 8 +ATOM 4498 H "H2'" . DC A 1 21 B -1.592 5.846 1.012 1.00 0.00 ? 8 DC A "H2'" 8 +ATOM 4499 H "H2''" . DC A 1 21 B -0.020 5.832 0.178 1.00 0.00 ? 8 DC A "H2''" 8 +ATOM 4500 H "H1'" . DC A 1 21 B 1.218 5.757 2.232 1.00 0.00 ? 8 DC A "H1'" 8 +ATOM 4501 H H41 . DC A 1 21 B -0.639 -0.095 3.521 1.00 0.00 ? 8 DC A H41 8 +ATOM 4502 H H42 . DC A 1 21 B -2.313 0.327 3.941 1.00 0.00 ? 8 DC A H42 8 +ATOM 4503 H H5 . DC A 1 21 B -3.071 2.644 3.672 1.00 0.00 ? 8 DC A H5 8 +ATOM 4504 H H6 . DC A 1 21 B -2.331 4.891 3.083 1.00 0.00 ? 8 DC A H6 8 +ATOM 4505 P P . DT A 1 22 B 1.073 8.392 -0.795 1.00 0.00 ? 9 DT A P 8 +ATOM 4506 O OP1 . DT A 1 22 B 2.128 9.421 -0.913 1.00 0.00 ? 9 DT A OP1 8 +ATOM 4507 O OP2 . DT A 1 22 B -0.203 8.565 -1.521 1.00 0.00 ? 9 DT A OP2 8 +ATOM 4508 O "O5'" . DT A 1 22 B 1.705 6.982 -1.236 1.00 0.00 ? 9 DT A "O5'" 8 +ATOM 4509 C "C5'" . DT A 1 22 B 3.042 6.639 -0.910 1.00 0.00 ? 9 DT A "C5'" 8 +ATOM 4510 C "C4'" . DT A 1 22 B 3.367 5.204 -1.350 1.00 0.00 ? 9 DT A "C4'" 8 +ATOM 4511 O "O4'" . DT A 1 22 B 2.600 4.251 -0.633 1.00 0.00 ? 9 DT A "O4'" 8 +ATOM 4512 C "C3'" . DT A 1 22 B 3.087 4.924 -2.836 1.00 0.00 ? 9 DT A "C3'" 8 +ATOM 4513 O "O3'" . DT A 1 22 B 4.282 4.929 -3.593 1.00 0.00 ? 9 DT A "O3'" 8 +ATOM 4514 C "C2'" . DT A 1 22 B 2.500 3.511 -2.838 1.00 0.00 ? 9 DT A "C2'" 8 +ATOM 4515 C "C1'" . DT A 1 22 B 2.644 3.062 -1.385 1.00 0.00 ? 9 DT A "C1'" 8 +ATOM 4516 N N1 . DT A 1 22 B 1.550 2.155 -0.963 1.00 0.00 ? 9 DT A N1 8 +ATOM 4517 C C2 . DT A 1 22 B 1.888 0.857 -0.594 1.00 0.00 ? 9 DT A C2 8 +ATOM 4518 O O2 . DT A 1 22 B 3.008 0.379 -0.697 1.00 0.00 ? 9 DT A O2 8 +ATOM 4519 N N3 . DT A 1 22 B 0.876 0.070 -0.120 1.00 0.00 ? 9 DT A N3 8 +ATOM 4520 C C4 . DT A 1 22 B -0.430 0.445 0.048 1.00 0.00 ? 9 DT A C4 8 +ATOM 4521 O O4 . DT A 1 22 B -1.199 -0.382 0.524 1.00 0.00 ? 9 DT A O4 8 +ATOM 4522 C C5 . DT A 1 22 B -0.748 1.800 -0.417 1.00 0.00 ? 9 DT A C5 8 +ATOM 4523 C C7 . DT A 1 22 B -2.169 2.361 -0.383 1.00 0.00 ? 9 DT A C7 8 +ATOM 4524 C C6 . DT A 1 22 B 0.242 2.593 -0.908 1.00 0.00 ? 9 DT A C6 8 +ATOM 4525 H "H5'" . DT A 1 22 B 3.201 6.717 0.168 1.00 0.00 ? 9 DT A "H5'" 8 +ATOM 4526 H "H5''" . DT A 1 22 B 3.729 7.320 -1.417 1.00 0.00 ? 9 DT A "H5''" 8 +ATOM 4527 H "H4'" . DT A 1 22 B 4.422 5.011 -1.137 1.00 0.00 ? 9 DT A "H4'" 8 +ATOM 4528 H "H3'" . DT A 1 22 B 2.377 5.632 -3.267 1.00 0.00 ? 9 DT A "H3'" 8 +ATOM 4529 H "H2'" . DT A 1 22 B 1.454 3.578 -3.137 1.00 0.00 ? 9 DT A "H2'" 8 +ATOM 4530 H "H2''" . DT A 1 22 B 3.018 2.829 -3.509 1.00 0.00 ? 9 DT A "H2''" 8 +ATOM 4531 H "H1'" . DT A 1 22 B 3.641 2.633 -1.250 1.00 0.00 ? 9 DT A "H1'" 8 +ATOM 4532 H H3 . DT A 1 22 B 1.116 -0.883 0.110 1.00 0.00 ? 9 DT A H3 8 +ATOM 4533 H H71 . DT A 1 22 B -2.528 2.533 -1.399 1.00 0.00 ? 9 DT A H71 8 +ATOM 4534 H H72 . DT A 1 22 B -2.853 1.672 0.110 1.00 0.00 ? 9 DT A H72 8 +ATOM 4535 H H73 . DT A 1 22 B -2.191 3.307 0.161 1.00 0.00 ? 9 DT A H73 8 +ATOM 4536 H H6 . DT A 1 22 B -0.001 3.578 -1.286 1.00 0.00 ? 9 DT A H6 8 +ATOM 4537 O "O5'" . DA A 1 5 ? 7.249 -10.304 0.912 1.00 0.00 ? 1 DA A "O5'" 9 +ATOM 4538 C "C5'" . DA A 1 5 ? 5.898 -9.956 1.170 1.00 0.00 ? 1 DA A "C5'" 9 +ATOM 4539 C "C4'" . DA A 1 5 ? 5.403 -8.867 0.204 1.00 0.00 ? 1 DA A "C4'" 9 +ATOM 4540 O "O4'" . DA A 1 5 ? 4.065 -8.468 0.475 1.00 0.00 ? 1 DA A "O4'" 9 +ATOM 4541 C "C3'" . DA A 1 5 ? 6.221 -7.584 0.354 1.00 0.00 ? 1 DA A "C3'" 9 +ATOM 4542 O "O3'" . DA A 1 5 ? 7.230 -7.503 -0.627 1.00 0.00 ? 1 DA A "O3'" 9 +ATOM 4543 C "C2'" . DA A 1 5 ? 5.215 -6.454 0.166 1.00 0.00 ? 1 DA A "C2'" 9 +ATOM 4544 C "C1'" . DA A 1 5 ? 3.889 -7.176 -0.083 1.00 0.00 ? 1 DA A "C1'" 9 +ATOM 4545 N N9 . DA A 1 5 ? 2.722 -6.479 0.497 1.00 0.00 ? 1 DA A N9 9 +ATOM 4546 C C8 . DA A 1 5 ? 1.645 -6.999 1.175 1.00 0.00 ? 1 DA A C8 9 +ATOM 4547 N N7 . DA A 1 5 ? 0.714 -6.126 1.454 1.00 0.00 ? 1 DA A N7 9 +ATOM 4548 C C5 . DA A 1 5 ? 1.223 -4.932 0.924 1.00 0.00 ? 1 DA A C5 9 +ATOM 4549 C C6 . DA A 1 5 ? 0.770 -3.595 0.828 1.00 0.00 ? 1 DA A C6 9 +ATOM 4550 N N6 . DA A 1 5 ? -0.388 -3.157 1.282 1.00 0.00 ? 1 DA A N6 9 +ATOM 4551 N N1 . DA A 1 5 ? 1.491 -2.662 0.192 1.00 0.00 ? 1 DA A N1 9 +ATOM 4552 C C2 . DA A 1 5 ? 2.656 -3.022 -0.331 1.00 0.00 ? 1 DA A C2 9 +ATOM 4553 N N3 . DA A 1 5 ? 3.205 -4.231 -0.323 1.00 0.00 ? 1 DA A N3 9 +ATOM 4554 C C4 . DA A 1 5 ? 2.440 -5.146 0.336 1.00 0.00 ? 1 DA A C4 9 +ATOM 4555 H "H5'" . DA A 1 5 ? 5.808 -9.613 2.202 1.00 0.00 ? 1 DA A "H5'" 9 +ATOM 4556 H "H5''" . DA A 1 5 ? 5.282 -10.847 1.048 1.00 0.00 ? 1 DA A "H5''" 9 +ATOM 4557 H "H4'" . DA A 1 5 ? 5.479 -9.246 -0.819 1.00 0.00 ? 1 DA A "H4'" 9 +ATOM 4558 H "H3'" . DA A 1 5 ? 6.596 -7.553 1.378 1.00 0.00 ? 1 DA A "H3'" 9 +ATOM 4559 H "H2'" . DA A 1 5 ? 5.195 -5.845 1.070 1.00 0.00 ? 1 DA A "H2'" 9 +ATOM 4560 H "H2''" . DA A 1 5 ? 5.470 -5.813 -0.681 1.00 0.00 ? 1 DA A "H2''" 9 +ATOM 4561 H "H1'" . DA A 1 5 ? 3.725 -7.269 -1.160 1.00 0.00 ? 1 DA A "H1'" 9 +ATOM 4562 H H8 . DA A 1 5 ? 1.548 -8.045 1.439 1.00 0.00 ? 1 DA A H8 9 +ATOM 4563 H H61 . DA A 1 5 ? -0.574 -2.167 1.180 1.00 0.00 ? 1 DA A H61 9 +ATOM 4564 H H62 . DA A 1 5 ? -0.965 -3.769 1.830 1.00 0.00 ? 1 DA A H62 9 +ATOM 4565 H H2 . DA A 1 5 ? 3.214 -2.253 -0.840 1.00 0.00 ? 1 DA A H2 9 +ATOM 4566 H "HO5'" . DA A 1 5 ? 7.830 -9.526 1.013 1.00 0.00 ? 1 DA A "HO5'" 9 +ATOM 4567 P P . DG A 1 6 ? 8.750 -7.311 -0.184 1.00 0.00 ? 2 DG A P 9 +ATOM 4568 O OP1 . DG A 1 6 ? 9.600 -7.411 -1.388 1.00 0.00 ? 2 DG A OP1 9 +ATOM 4569 O OP2 . DG A 1 6 ? 8.950 -8.238 0.956 1.00 0.00 ? 2 DG A OP2 9 +ATOM 4570 O "O5'" . DG A 1 6 ? 8.740 -5.783 0.333 1.00 0.00 ? 2 DG A "O5'" 9 +ATOM 4571 C "C5'" . DG A 1 6 ? 8.693 -5.429 1.709 1.00 0.00 ? 2 DG A "C5'" 9 +ATOM 4572 C "C4'" . DG A 1 6 ? 8.360 -3.931 1.855 1.00 0.00 ? 2 DG A "C4'" 9 +ATOM 4573 O "O4'" . DG A 1 6 ? 6.968 -3.683 1.638 1.00 0.00 ? 2 DG A "O4'" 9 +ATOM 4574 C "C3'" . DG A 1 6 ? 8.690 -3.366 3.255 1.00 0.00 ? 2 DG A "C3'" 9 +ATOM 4575 O "O3'" . DG A 1 6 ? 9.425 -2.165 3.118 1.00 0.00 ? 2 DG A "O3'" 9 +ATOM 4576 C "C2'" . DG A 1 6 ? 7.299 -3.093 3.818 1.00 0.00 ? 2 DG A "C2'" 9 +ATOM 4577 C "C1'" . DG A 1 6 ? 6.567 -2.678 2.549 1.00 0.00 ? 2 DG A "C1'" 9 +ATOM 4578 N N9 . DG A 1 6 ? 5.100 -2.663 2.736 1.00 0.00 ? 2 DG A N9 9 +ATOM 4579 C C8 . DG A 1 6 ? 4.263 -3.694 3.081 1.00 0.00 ? 2 DG A C8 9 +ATOM 4580 N N7 . DG A 1 6 ? 3.009 -3.360 3.195 1.00 0.00 ? 2 DG A N7 9 +ATOM 4581 C C5 . DG A 1 6 ? 3.017 -1.986 2.933 1.00 0.00 ? 2 DG A C5 9 +ATOM 4582 C C6 . DG A 1 6 ? 1.971 -1.004 2.937 1.00 0.00 ? 2 DG A C6 9 +ATOM 4583 O O6 . DG A 1 6 ? 0.778 -1.160 3.153 1.00 0.00 ? 2 DG A O6 9 +ATOM 4584 N N1 . DG A 1 6 ? 2.390 0.279 2.646 1.00 0.00 ? 2 DG A N1 9 +ATOM 4585 C C2 . DG A 1 6 ? 3.677 0.584 2.348 1.00 0.00 ? 2 DG A C2 9 +ATOM 4586 N N2 . DG A 1 6 ? 3.957 1.845 2.173 1.00 0.00 ? 2 DG A N2 9 +ATOM 4587 N N3 . DG A 1 6 ? 4.679 -0.290 2.340 1.00 0.00 ? 2 DG A N3 9 +ATOM 4588 C C4 . DG A 1 6 ? 4.290 -1.560 2.641 1.00 0.00 ? 2 DG A C4 9 +ATOM 4589 H "H5'" . DG A 1 6 ? 9.677 -5.627 2.137 1.00 0.00 ? 2 DG A "H5'" 9 +ATOM 4590 H "H5''" . DG A 1 6 ? 7.951 -6.006 2.262 1.00 0.00 ? 2 DG A "H5''" 9 +ATOM 4591 H "H4'" . DG A 1 6 ? 8.936 -3.383 1.105 1.00 0.00 ? 2 DG A "H4'" 9 +ATOM 4592 H "H3'" . DG A 1 6 ? 9.236 -4.089 3.868 1.00 0.00 ? 2 DG A "H3'" 9 +ATOM 4593 H "H2'" . DG A 1 6 ? 6.894 -4.019 4.228 1.00 0.00 ? 2 DG A "H2'" 9 +ATOM 4594 H "H2''" . DG A 1 6 ? 7.282 -2.318 4.582 1.00 0.00 ? 2 DG A "H2''" 9 +ATOM 4595 H "H1'" . DG A 1 6 ? 6.929 -1.706 2.204 1.00 0.00 ? 2 DG A "H1'" 9 +ATOM 4596 H H8 . DG A 1 6 ? 4.594 -4.703 3.257 1.00 0.00 ? 2 DG A H8 9 +ATOM 4597 H H1 . DG A 1 6 ? 1.673 0.995 2.675 1.00 0.00 ? 2 DG A H1 9 +ATOM 4598 H H21 . DG A 1 6 ? 3.234 2.547 2.242 1.00 0.00 ? 2 DG A H21 9 +ATOM 4599 H H22 . DG A 1 6 ? 4.936 2.053 2.085 1.00 0.00 ? 2 DG A H22 9 +ATOM 4600 P P . DG A 1 7 ? 9.972 -1.347 4.390 1.00 0.00 ? 3 DG A P 9 +ATOM 4601 O OP1 . DG A 1 7 ? 11.354 -0.920 4.087 1.00 0.00 ? 3 DG A OP1 9 +ATOM 4602 O OP2 . DG A 1 7 ? 9.693 -2.139 5.607 1.00 0.00 ? 3 DG A OP2 9 +ATOM 4603 O "O5'" . DG A 1 7 ? 9.026 -0.040 4.398 1.00 0.00 ? 3 DG A "O5'" 9 +ATOM 4604 C "C5'" . DG A 1 7 ? 9.093 0.907 3.343 1.00 0.00 ? 3 DG A "C5'" 9 +ATOM 4605 C "C4'" . DG A 1 7 ? 8.258 2.174 3.604 1.00 0.00 ? 3 DG A "C4'" 9 +ATOM 4606 O "O4'" . DG A 1 7 ? 6.859 1.890 3.615 1.00 0.00 ? 3 DG A "O4'" 9 +ATOM 4607 C "C3'" . DG A 1 7 ? 8.601 2.864 4.937 1.00 0.00 ? 3 DG A "C3'" 9 +ATOM 4608 O "O3'" . DG A 1 7 ? 8.579 4.269 4.757 1.00 0.00 ? 3 DG A "O3'" 9 +ATOM 4609 C "C2'" . DG A 1 7 ? 7.446 2.415 5.824 1.00 0.00 ? 3 DG A "C2'" 9 +ATOM 4610 C "C1'" . DG A 1 7 ? 6.297 2.387 4.819 1.00 0.00 ? 3 DG A "C1'" 9 +ATOM 4611 N N9 . DG A 1 7 ? 5.193 1.501 5.242 1.00 0.00 ? 3 DG A N9 9 +ATOM 4612 C C8 . DG A 1 7 ? 5.199 0.142 5.431 1.00 0.00 ? 3 DG A C8 9 +ATOM 4613 N N7 . DG A 1 7 ? 4.033 -0.363 5.731 1.00 0.00 ? 3 DG A N7 9 +ATOM 4614 C C5 . DG A 1 7 ? 3.185 0.750 5.743 1.00 0.00 ? 3 DG A C5 9 +ATOM 4615 C C6 . DG A 1 7 ? 1.777 0.892 5.992 1.00 0.00 ? 3 DG A C6 9 +ATOM 4616 O O6 . DG A 1 7 ? 0.959 0.029 6.282 1.00 0.00 ? 3 DG A O6 9 +ATOM 4617 N N1 . DG A 1 7 ? 1.307 2.189 5.895 1.00 0.00 ? 3 DG A N1 9 +ATOM 4618 C C2 . DG A 1 7 ? 2.096 3.232 5.541 1.00 0.00 ? 3 DG A C2 9 +ATOM 4619 N N2 . DG A 1 7 ? 1.553 4.415 5.519 1.00 0.00 ? 3 DG A N2 9 +ATOM 4620 N N3 . DG A 1 7 ? 3.399 3.148 5.307 1.00 0.00 ? 3 DG A N3 9 +ATOM 4621 C C4 . DG A 1 7 ? 3.891 1.885 5.427 1.00 0.00 ? 3 DG A C4 9 +ATOM 4622 H "H5'" . DG A 1 7 ? 8.749 0.448 2.414 1.00 0.00 ? 3 DG A "H5'" 9 +ATOM 4623 H "H5''" . DG A 1 7 ? 10.128 1.228 3.204 1.00 0.00 ? 3 DG A "H5''" 9 +ATOM 4624 H "H4'" . DG A 1 7 ? 8.479 2.850 2.772 1.00 0.00 ? 3 DG A "H4'" 9 +ATOM 4625 H "H3'" . DG A 1 7 ? 9.569 2.530 5.319 1.00 0.00 ? 3 DG A "H3'" 9 +ATOM 4626 H "H2'" . DG A 1 7 ? 7.650 1.431 6.240 1.00 0.00 ? 3 DG A "H2'" 9 +ATOM 4627 H "H2''" . DG A 1 7 ? 7.271 3.108 6.640 1.00 0.00 ? 3 DG A "H2''" 9 +ATOM 4628 H "H1'" . DG A 1 7 ? 5.934 3.407 4.662 1.00 0.00 ? 3 DG A "H1'" 9 +ATOM 4629 H H8 . DG A 1 7 ? 6.081 -0.470 5.321 1.00 0.00 ? 3 DG A H8 9 +ATOM 4630 H H1 . DG A 1 7 ? 0.320 2.326 6.084 1.00 0.00 ? 3 DG A H1 9 +ATOM 4631 H H21 . DG A 1 7 ? 0.590 4.550 5.782 1.00 0.00 ? 3 DG A H21 9 +ATOM 4632 H H22 . DG A 1 7 ? 2.190 5.169 5.336 1.00 0.00 ? 3 DG A H22 9 +ATOM 4633 P P . DA A 1 8 ? 8.992 5.284 5.936 1.00 0.00 ? 4 DA A P 9 +ATOM 4634 O OP1 . DA A 1 8 ? 9.480 6.529 5.305 1.00 0.00 ? 4 DA A OP1 9 +ATOM 4635 O OP2 . DA A 1 8 ? 9.857 4.555 6.888 1.00 0.00 ? 4 DA A OP2 9 +ATOM 4636 O "O5'" . DA A 1 8 ? 7.589 5.603 6.668 1.00 0.00 ? 4 DA A "O5'" 9 +ATOM 4637 C "C5'" . DA A 1 8 ? 6.651 6.498 6.093 1.00 0.00 ? 4 DA A "C5'" 9 +ATOM 4638 C "C4'" . DA A 1 8 ? 5.412 6.711 6.980 1.00 0.00 ? 4 DA A "C4'" 9 +ATOM 4639 O "O4'" . DA A 1 8 ? 4.541 5.586 7.011 1.00 0.00 ? 4 DA A "O4'" 9 +ATOM 4640 C "C3'" . DA A 1 8 ? 5.717 7.092 8.443 1.00 0.00 ? 4 DA A "C3'" 9 +ATOM 4641 O "O3'" . DA A 1 8 ? 5.203 8.381 8.722 1.00 0.00 ? 4 DA A "O3'" 9 +ATOM 4642 C "C2'" . DA A 1 8 ? 5.015 5.982 9.212 1.00 0.00 ? 4 DA A "C2'" 9 +ATOM 4643 C "C1'" . DA A 1 8 ? 3.891 5.588 8.266 1.00 0.00 ? 4 DA A "C1'" 9 +ATOM 4644 N N9 . DA A 1 8 ? 3.423 4.221 8.554 1.00 0.00 ? 4 DA A N9 9 +ATOM 4645 C C8 . DA A 1 8 ? 4.170 3.071 8.579 1.00 0.00 ? 4 DA A C8 9 +ATOM 4646 N N7 . DA A 1 8 ? 3.484 1.989 8.821 1.00 0.00 ? 4 DA A N7 9 +ATOM 4647 C C5 . DA A 1 8 ? 2.180 2.472 8.971 1.00 0.00 ? 4 DA A C5 9 +ATOM 4648 C C6 . DA A 1 8 ? 0.927 1.883 9.246 1.00 0.00 ? 4 DA A C6 9 +ATOM 4649 N N6 . DA A 1 8 ? 0.757 0.593 9.438 1.00 0.00 ? 4 DA A N6 9 +ATOM 4650 N N1 . DA A 1 8 ? -0.181 2.625 9.366 1.00 0.00 ? 4 DA A N1 9 +ATOM 4651 C C2 . DA A 1 8 ? -0.072 3.936 9.176 1.00 0.00 ? 4 DA A C2 9 +ATOM 4652 N N3 . DA A 1 8 ? 1.032 4.623 8.900 1.00 0.00 ? 4 DA A N3 9 +ATOM 4653 C C4 . DA A 1 8 ? 2.135 3.831 8.814 1.00 0.00 ? 4 DA A C4 9 +ATOM 4654 H "H5'" . DA A 1 8 ? 6.328 6.129 5.117 1.00 0.00 ? 4 DA A "H5'" 9 +ATOM 4655 H "H5''" . DA A 1 8 ? 7.123 7.474 5.956 1.00 0.00 ? 4 DA A "H5''" 9 +ATOM 4656 H "H4'" . DA A 1 8 ? 4.837 7.518 6.520 1.00 0.00 ? 4 DA A "H4'" 9 +ATOM 4657 H "H3'" . DA A 1 8 ? 6.780 7.018 8.668 1.00 0.00 ? 4 DA A "H3'" 9 +ATOM 4658 H "H2'" . DA A 1 8 ? 5.728 5.170 9.358 1.00 0.00 ? 4 DA A "H2'" 9 +ATOM 4659 H "H2''" . DA A 1 8 ? 4.639 6.312 10.173 1.00 0.00 ? 4 DA A "H2''" 9 +ATOM 4660 H "H1'" . DA A 1 8 ? 3.085 6.325 8.283 1.00 0.00 ? 4 DA A "H1'" 9 +ATOM 4661 H H8 . DA A 1 8 ? 5.238 3.068 8.417 1.00 0.00 ? 4 DA A H8 9 +ATOM 4662 H H61 . DA A 1 8 ? -0.171 0.271 9.660 1.00 0.00 ? 4 DA A H61 9 +ATOM 4663 H H62 . DA A 1 8 ? 1.547 -0.025 9.362 1.00 0.00 ? 4 DA A H62 9 +ATOM 4664 H H2 . DA A 1 8 ? -0.980 4.510 9.268 1.00 0.00 ? 4 DA A H2 9 +ATOM 4665 P P . DT A 1 9 ? 5.477 9.131 10.118 1.00 0.00 ? 5 DT A P 9 +ATOM 4666 O OP1 . DT A 1 9 ? 5.318 10.584 9.898 1.00 0.00 ? 5 DT A OP1 9 +ATOM 4667 O OP2 . DT A 1 9 ? 6.727 8.603 10.702 1.00 0.00 ? 5 DT A OP2 9 +ATOM 4668 O "O5'" . DT A 1 9 ? 4.246 8.627 11.017 1.00 0.00 ? 5 DT A "O5'" 9 +ATOM 4669 C "C5'" . DT A 1 9 ? 2.918 9.013 10.713 1.00 0.00 ? 5 DT A "C5'" 9 +ATOM 4670 C "C4'" . DT A 1 9 ? 1.923 8.207 11.555 1.00 0.00 ? 5 DT A "C4'" 9 +ATOM 4671 O "O4'" . DT A 1 9 ? 1.942 6.822 11.248 1.00 0.00 ? 5 DT A "O4'" 9 +ATOM 4672 C "C3'" . DT A 1 9 ? 2.068 8.365 13.080 1.00 0.00 ? 5 DT A "C3'" 9 +ATOM 4673 O "O3'" . DT A 1 9 ? 0.900 8.964 13.609 1.00 0.00 ? 5 DT A "O3'" 9 +ATOM 4674 C "C2'" . DT A 1 9 ? 2.184 6.901 13.488 1.00 0.00 ? 5 DT A "C2'" 9 +ATOM 4675 C "C1'" . DT A 1 9 ? 1.377 6.215 12.380 1.00 0.00 ? 5 DT A "C1'" 9 +ATOM 4676 N N1 . DT A 1 9 ? 1.589 4.749 12.323 1.00 0.00 ? 5 DT A N1 9 +ATOM 4677 C C2 . DT A 1 9 ? 0.467 3.930 12.421 1.00 0.00 ? 5 DT A C2 9 +ATOM 4678 O O2 . DT A 1 9 ? -0.683 4.336 12.483 1.00 0.00 ? 5 DT A O2 9 +ATOM 4679 N N3 . DT A 1 9 ? 0.693 2.583 12.480 1.00 0.00 ? 5 DT A N3 9 +ATOM 4680 C C4 . DT A 1 9 ? 1.917 1.969 12.427 1.00 0.00 ? 5 DT A C4 9 +ATOM 4681 O O4 . DT A 1 9 ? 1.954 0.753 12.557 1.00 0.00 ? 5 DT A O4 9 +ATOM 4682 C C5 . DT A 1 9 ? 3.056 2.866 12.232 1.00 0.00 ? 5 DT A C5 9 +ATOM 4683 C C7 . DT A 1 9 ? 4.478 2.321 12.094 1.00 0.00 ? 5 DT A C7 9 +ATOM 4684 C C6 . DT A 1 9 ? 2.855 4.211 12.192 1.00 0.00 ? 5 DT A C6 9 +ATOM 4685 H "H5'" . DT A 1 9 ? 2.693 8.831 9.660 1.00 0.00 ? 5 DT A "H5'" 9 +ATOM 4686 H "H5''" . DT A 1 9 ? 2.784 10.076 10.922 1.00 0.00 ? 5 DT A "H5''" 9 +ATOM 4687 H "H4'" . DT A 1 9 ? 0.906 8.497 11.313 1.00 0.00 ? 5 DT A "H4'" 9 +ATOM 4688 H "H3'" . DT A 1 9 ? 2.968 8.926 13.345 1.00 0.00 ? 5 DT A "H3'" 9 +ATOM 4689 H "H2'" . DT A 1 9 ? 3.241 6.641 13.463 1.00 0.00 ? 5 DT A "H2'" 9 +ATOM 4690 H "H2''" . DT A 1 9 ? 1.811 6.720 14.488 1.00 0.00 ? 5 DT A "H2''" 9 +ATOM 4691 H "H1'" . DT A 1 9 ? 0.319 6.515 12.406 1.00 0.00 ? 5 DT A "H1'" 9 +ATOM 4692 H H3 . DT A 1 9 ? -0.124 2.012 12.652 1.00 0.00 ? 5 DT A H3 9 +ATOM 4693 H H71 . DT A 1 9 ? 4.463 1.366 11.561 1.00 0.00 ? 5 DT A H71 9 +ATOM 4694 H H72 . DT A 1 9 ? 5.118 3.004 11.532 1.00 0.00 ? 5 DT A H72 9 +ATOM 4695 H H73 . DT A 1 9 ? 4.913 2.164 13.082 1.00 0.00 ? 5 DT A H73 9 +ATOM 4696 H H6 . DT A 1 9 ? 3.701 4.871 12.059 1.00 0.00 ? 5 DT A H6 9 +ATOM 4697 P P . DC A 1 10 ? 0.770 9.382 15.154 1.00 0.00 ? 6 DC A P 9 +ATOM 4698 O OP1 . DC A 1 10 ? 0.457 10.824 15.218 1.00 0.00 ? 6 DC A OP1 9 +ATOM 4699 O OP2 . DC A 1 10 ? 1.926 8.836 15.897 1.00 0.00 ? 6 DC A OP2 9 +ATOM 4700 O "O5'" . DC A 1 10 ? -0.540 8.557 15.591 1.00 0.00 ? 6 DC A "O5'" 9 +ATOM 4701 C "C5'" . DC A 1 10 ? -1.818 8.872 15.062 1.00 0.00 ? 6 DC A "C5'" 9 +ATOM 4702 C "C4'" . DC A 1 10 ? -2.901 7.899 15.565 1.00 0.00 ? 6 DC A "C4'" 9 +ATOM 4703 O "O4'" . DC A 1 10 ? -2.628 6.580 15.102 1.00 0.00 ? 6 DC A "O4'" 9 +ATOM 4704 C "C3'" . DC A 1 10 ? -2.995 7.850 17.100 1.00 0.00 ? 6 DC A "C3'" 9 +ATOM 4705 O "O3'" . DC A 1 10 ? -4.344 7.681 17.498 1.00 0.00 ? 6 DC A "O3'" 9 +ATOM 4706 C "C2'" . DC A 1 10 ? -2.185 6.599 17.407 1.00 0.00 ? 6 DC A "C2'" 9 +ATOM 4707 C "C1'" . DC A 1 10 ? -2.553 5.715 16.218 1.00 0.00 ? 6 DC A "C1'" 9 +ATOM 4708 N N1 . DC A 1 10 ? -1.507 4.688 15.993 1.00 0.00 ? 6 DC A N1 9 +ATOM 4709 C C2 . DC A 1 10 ? -1.774 3.374 16.356 1.00 0.00 ? 6 DC A C2 9 +ATOM 4710 O O2 . DC A 1 10 ? -2.881 3.037 16.749 1.00 0.00 ? 6 DC A O2 9 +ATOM 4711 N N3 . DC A 1 10 ? -0.806 2.427 16.288 1.00 0.00 ? 6 DC A N3 9 +ATOM 4712 C C4 . DC A 1 10 ? 0.390 2.780 15.854 1.00 0.00 ? 6 DC A C4 9 +ATOM 4713 N N4 . DC A 1 10 ? 1.277 1.826 15.836 1.00 0.00 ? 6 DC A N4 9 +ATOM 4714 C C5 . DC A 1 10 ? 0.728 4.109 15.457 1.00 0.00 ? 6 DC A C5 9 +ATOM 4715 C C6 . DC A 1 10 ? -0.261 5.031 15.533 1.00 0.00 ? 6 DC A C6 9 +ATOM 4716 H "H5'" . DC A 1 10 ? -1.797 8.824 13.971 1.00 0.00 ? 6 DC A "H5'" 9 +ATOM 4717 H "H5''" . DC A 1 10 ? -2.098 9.885 15.359 1.00 0.00 ? 6 DC A "H5''" 9 +ATOM 4718 H "H4'" . DC A 1 10 ? -3.856 8.226 15.150 1.00 0.00 ? 6 DC A "H4'" 9 +ATOM 4719 H "H3'" . DC A 1 10 ? -2.558 8.748 17.545 1.00 0.00 ? 6 DC A "H3'" 9 +ATOM 4720 H "H2'" . DC A 1 10 ? -1.125 6.857 17.404 1.00 0.00 ? 6 DC A "H2'" 9 +ATOM 4721 H "H2''" . DC A 1 10 ? -2.447 6.152 18.363 1.00 0.00 ? 6 DC A "H2''" 9 +ATOM 4722 H "H1'" . DC A 1 10 ? -3.553 5.303 16.374 1.00 0.00 ? 6 DC A "H1'" 9 +ATOM 4723 H H41 . DC A 1 10 ? 0.913 0.936 16.144 1.00 0.00 ? 6 DC A H41 9 +ATOM 4724 H H42 . DC A 1 10 ? 2.218 1.984 15.535 1.00 0.00 ? 6 DC A H42 9 +ATOM 4725 H H5 . DC A 1 10 ? 1.700 4.414 15.096 1.00 0.00 ? 6 DC A H5 9 +ATOM 4726 H H6 . DC A 1 10 ? -0.066 6.047 15.220 1.00 0.00 ? 6 DC A H6 9 +ATOM 4727 P P . DC A 1 11 ? -4.784 7.775 19.042 1.00 0.00 ? 7 DC A P 9 +ATOM 4728 O OP1 . DC A 1 11 ? -6.140 8.363 19.087 1.00 0.00 ? 7 DC A OP1 9 +ATOM 4729 O OP2 . DC A 1 11 ? -3.685 8.414 19.795 1.00 0.00 ? 7 DC A OP2 9 +ATOM 4730 O "O5'" . DC A 1 11 ? -4.883 6.237 19.523 1.00 0.00 ? 7 DC A "O5'" 9 +ATOM 4731 C "C5'" . DC A 1 11 ? -6.051 5.460 19.295 1.00 0.00 ? 7 DC A "C5'" 9 +ATOM 4732 C "C4'" . DC A 1 11 ? -6.001 4.114 20.046 1.00 0.00 ? 7 DC A "C4'" 9 +ATOM 4733 O "O4'" . DC A 1 11 ? -5.064 3.223 19.440 1.00 0.00 ? 7 DC A "O4'" 9 +ATOM 4734 C "C3'" . DC A 1 11 ? -5.614 4.279 21.534 1.00 0.00 ? 7 DC A "C3'" 9 +ATOM 4735 O "O3'" . DC A 1 11 ? -6.436 3.491 22.363 1.00 0.00 ? 7 DC A "O3'" 9 +ATOM 4736 C "C2'" . DC A 1 11 ? -4.194 3.733 21.503 1.00 0.00 ? 7 DC A "C2'" 9 +ATOM 4737 C "C1'" . DC A 1 11 ? -4.328 2.615 20.477 1.00 0.00 ? 7 DC A "C1'" 9 +ATOM 4738 N N1 . DC A 1 11 ? -2.988 2.197 20.017 1.00 0.00 ? 7 DC A N1 9 +ATOM 4739 C C2 . DC A 1 11 ? -2.537 0.903 20.285 1.00 0.00 ? 7 DC A C2 9 +ATOM 4740 O O2 . DC A 1 11 ? -3.294 0.029 20.688 1.00 0.00 ? 7 DC A O2 9 +ATOM 4741 N N3 . DC A 1 11 ? -1.225 0.581 20.110 1.00 0.00 ? 7 DC A N3 9 +ATOM 4742 C C4 . DC A 1 11 ? -0.387 1.545 19.759 1.00 0.00 ? 7 DC A C4 9 +ATOM 4743 N N4 . DC A 1 11 ? 0.856 1.212 19.568 1.00 0.00 ? 7 DC A N4 9 +ATOM 4744 C C5 . DC A 1 11 ? -0.785 2.896 19.581 1.00 0.00 ? 7 DC A C5 9 +ATOM 4745 C C6 . DC A 1 11 ? -2.095 3.167 19.663 1.00 0.00 ? 7 DC A C6 9 +ATOM 4746 H "H5'" . DC A 1 11 ? -6.181 5.279 18.226 1.00 0.00 ? 7 DC A "H5'" 9 +ATOM 4747 H "H5''" . DC A 1 11 ? -6.927 5.996 19.665 1.00 0.00 ? 7 DC A "H5''" 9 +ATOM 4748 H "H4'" . DC A 1 11 ? -6.991 3.659 19.978 1.00 0.00 ? 7 DC A "H4'" 9 +ATOM 4749 H "H3'" . DC A 1 11 ? -5.648 5.328 21.842 1.00 0.00 ? 7 DC A "H3'" 9 +ATOM 4750 H "H2'" . DC A 1 11 ? -3.588 4.560 21.174 1.00 0.00 ? 7 DC A "H2'" 9 +ATOM 4751 H "H2''" . DC A 1 11 ? -3.733 3.375 22.412 1.00 0.00 ? 7 DC A "H2''" 9 +ATOM 4752 H "H1'" . DC A 1 11 ? -4.914 1.813 20.919 1.00 0.00 ? 7 DC A "H1'" 9 +ATOM 4753 H H41 . DC A 1 11 ? 1.069 0.241 19.721 1.00 0.00 ? 7 DC A H41 9 +ATOM 4754 H H42 . DC A 1 11 ? 1.529 1.893 19.278 1.00 0.00 ? 7 DC A H42 9 +ATOM 4755 H H5 . DC A 1 11 ? -0.134 3.736 19.520 1.00 0.00 ? 7 DC A H5 9 +ATOM 4756 H H6 . DC A 1 11 ? -2.418 4.184 19.503 1.00 0.00 ? 7 DC A H6 9 +ATOM 4757 P P . DT A 1 12 ? -6.342 3.594 23.962 1.00 0.00 ? 8 DT A P 9 +ATOM 4758 O OP1 . DT A 1 12 ? -7.696 3.856 24.491 1.00 0.00 ? 8 DT A OP1 9 +ATOM 4759 O OP2 . DT A 1 12 ? -5.213 4.478 24.326 1.00 0.00 ? 8 DT A OP2 9 +ATOM 4760 O "O5'" . DT A 1 12 ? -5.919 2.104 24.360 1.00 0.00 ? 8 DT A "O5'" 9 +ATOM 4761 C "C5'" . DT A 1 12 ? -6.794 1.007 24.193 1.00 0.00 ? 8 DT A "C5'" 9 +ATOM 4762 C "C4'" . DT A 1 12 ? -6.207 -0.267 24.826 1.00 0.00 ? 8 DT A "C4'" 9 +ATOM 4763 O "O4'" . DT A 1 12 ? -5.008 -0.677 24.173 1.00 0.00 ? 8 DT A "O4'" 9 +ATOM 4764 C "C3'" . DT A 1 12 ? -5.851 -0.090 26.313 1.00 0.00 ? 8 DT A "C3'" 9 +ATOM 4765 O "O3'" . DT A 1 12 ? -5.967 -1.384 26.895 1.00 0.00 ? 8 DT A "O3'" 9 +ATOM 4766 C "C2'" . DT A 1 12 ? -4.414 0.380 26.216 1.00 0.00 ? 8 DT A "C2'" 9 +ATOM 4767 C "C1'" . DT A 1 12 ? -3.941 -0.504 25.087 1.00 0.00 ? 8 DT A "C1'" 9 +ATOM 4768 N N1 . DT A 1 12 ? -2.739 -0.033 24.375 1.00 0.00 ? 8 DT A N1 9 +ATOM 4769 C C2 . DT A 1 12 ? -1.901 -1.022 23.876 1.00 0.00 ? 8 DT A C2 9 +ATOM 4770 O O2 . DT A 1 12 ? -2.092 -2.222 24.014 1.00 0.00 ? 8 DT A O2 9 +ATOM 4771 N N3 . DT A 1 12 ? -0.759 -0.600 23.254 1.00 0.00 ? 8 DT A N3 9 +ATOM 4772 C C4 . DT A 1 12 ? -0.374 0.706 23.094 1.00 0.00 ? 8 DT A C4 9 +ATOM 4773 O O4 . DT A 1 12 ? 0.755 0.926 22.676 1.00 0.00 ? 8 DT A O4 9 +ATOM 4774 C C5 . DT A 1 12 ? -1.388 1.701 23.456 1.00 0.00 ? 8 DT A C5 9 +ATOM 4775 C C7 . DT A 1 12 ? -1.131 3.195 23.244 1.00 0.00 ? 8 DT A C7 9 +ATOM 4776 C C6 . DT A 1 12 ? -2.537 1.299 24.070 1.00 0.00 ? 8 DT A C6 9 +ATOM 4777 H "H5'" . DT A 1 12 ? -6.971 0.830 23.130 1.00 0.00 ? 8 DT A "H5'" 9 +ATOM 4778 H "H5''" . DT A 1 12 ? -7.751 1.211 24.678 1.00 0.00 ? 8 DT A "H5''" 9 +ATOM 4779 H "H4'" . DT A 1 12 ? -6.956 -1.053 24.707 1.00 0.00 ? 8 DT A "H4'" 9 +ATOM 4780 H "H3'" . DT A 1 12 ? -6.412 0.693 26.812 1.00 0.00 ? 8 DT A "H3'" 9 +ATOM 4781 H "H2'" . DT A 1 12 ? -4.348 1.436 26.009 1.00 0.00 ? 8 DT A "H2'" 9 +ATOM 4782 H "H2''" . DT A 1 12 ? -3.863 0.191 27.111 1.00 0.00 ? 8 DT A "H2''" 9 +ATOM 4783 H "H1'" . DT A 1 12 ? -3.747 -1.421 25.643 1.00 0.00 ? 8 DT A "H1'" 9 +ATOM 4784 H H3 . DT A 1 12 ? -0.112 -1.325 22.985 1.00 0.00 ? 8 DT A H3 9 +ATOM 4785 H H71 . DT A 1 12 ? -1.630 3.793 24.010 1.00 0.00 ? 8 DT A H71 9 +ATOM 4786 H H72 . DT A 1 12 ? -0.062 3.403 23.293 1.00 0.00 ? 8 DT A H72 9 +ATOM 4787 H H73 . DT A 1 12 ? -1.483 3.512 22.267 1.00 0.00 ? 8 DT A H73 9 +ATOM 4788 H H6 . DT A 1 12 ? -3.310 2.024 24.318 1.00 0.00 ? 8 DT A H6 9 +ATOM 4789 P P . DT A 1 13 ? -5.773 -1.683 28.457 1.00 0.00 ? 9 DT A P 9 +ATOM 4790 O OP1 . DT A 1 13 ? -6.161 -3.088 28.697 1.00 0.00 ? 9 DT A OP1 9 +ATOM 4791 O OP2 . DT A 1 13 ? -6.454 -0.604 29.198 1.00 0.00 ? 9 DT A OP2 9 +ATOM 4792 O "O5'" . DT A 1 13 ? -4.173 -1.568 28.672 1.00 0.00 ? 9 DT A "O5'" 9 +ATOM 4793 C "C5'" . DT A 1 13 ? -3.296 -2.578 28.186 1.00 0.00 ? 9 DT A "C5'" 9 +ATOM 4794 C "C4'" . DT A 1 13 ? -1.819 -2.131 28.144 1.00 0.00 ? 9 DT A "C4'" 9 +ATOM 4795 O "O4'" . DT A 1 13 ? -1.599 -0.937 27.379 1.00 0.00 ? 9 DT A "O4'" 9 +ATOM 4796 C "C3'" . DT A 1 13 ? -1.243 -1.938 29.551 1.00 0.00 ? 9 DT A "C3'" 9 +ATOM 4797 O "O3'" . DT A 1 13 ? -0.544 -3.076 30.002 1.00 0.00 ? 9 DT A "O3'" 9 +ATOM 4798 C "C2'" . DT A 1 13 ? -0.260 -0.797 29.307 1.00 0.00 ? 9 DT A "C2'" 9 +ATOM 4799 C "C1'" . DT A 1 13 ? -0.794 -0.019 28.106 1.00 0.00 ? 9 DT A "C1'" 9 +ATOM 4800 N N1 . DT A 1 13 ? -1.608 1.175 28.410 1.00 0.00 ? 9 DT A N1 9 +ATOM 4801 C C2 . DT A 1 13 ? -1.710 2.149 27.416 1.00 0.00 ? 9 DT A C2 9 +ATOM 4802 O O2 . DT A 1 13 ? -0.946 2.237 26.466 1.00 0.00 ? 9 DT A O2 9 +ATOM 4803 N N3 . DT A 1 13 ? -2.722 3.067 27.535 1.00 0.00 ? 9 DT A N3 9 +ATOM 4804 C C4 . DT A 1 13 ? -3.644 3.105 28.552 1.00 0.00 ? 9 DT A C4 9 +ATOM 4805 O O4 . DT A 1 13 ? -4.476 4.001 28.541 1.00 0.00 ? 9 DT A O4 9 +ATOM 4806 C C5 . DT A 1 13 ? -3.490 2.059 29.565 1.00 0.00 ? 9 DT A C5 9 +ATOM 4807 C C7 . DT A 1 13 ? -4.570 1.773 30.592 1.00 0.00 ? 9 DT A C7 9 +ATOM 4808 C C6 . DT A 1 13 ? -2.490 1.148 29.456 1.00 0.00 ? 9 DT A C6 9 +ATOM 4809 H "H5'" . DT A 1 13 ? -3.580 -2.897 27.183 1.00 0.00 ? 9 DT A "H5'" 9 +ATOM 4810 H "H5''" . DT A 1 13 ? -3.375 -3.453 28.835 1.00 0.00 ? 9 DT A "H5''" 9 +ATOM 4811 H "H4'" . DT A 1 13 ? -1.256 -2.923 27.651 1.00 0.00 ? 9 DT A "H4'" 9 +ATOM 4812 H "H3'" . DT A 1 13 ? -2.039 -1.681 30.251 1.00 0.00 ? 9 DT A "H3'" 9 +ATOM 4813 H "H2'" . DT A 1 13 ? -0.058 -0.207 30.192 1.00 0.00 ? 9 DT A "H2'" 9 +ATOM 4814 H "H2''" . DT A 1 13 ? 0.683 -1.233 29.005 1.00 0.00 ? 9 DT A "H2''" 9 +ATOM 4815 H "H1'" . DT A 1 13 ? 0.063 0.336 27.534 1.00 0.00 ? 9 DT A "H1'" 9 +ATOM 4816 H H3 . DT A 1 13 ? -2.843 3.730 26.794 1.00 0.00 ? 9 DT A H3 9 +ATOM 4817 H H71 . DT A 1 13 ? -5.369 2.516 30.568 1.00 0.00 ? 9 DT A H71 9 +ATOM 4818 H H72 . DT A 1 13 ? -4.982 0.804 30.292 1.00 0.00 ? 9 DT A H72 9 +ATOM 4819 H H73 . DT A 1 13 ? -4.159 1.704 31.600 1.00 0.00 ? 9 DT A H73 9 +ATOM 4820 H H6 . DT A 1 13 ? -2.397 0.349 30.172 1.00 0.00 ? 9 DT A H6 9 +ATOM 4821 P P . DT A 1 14 B 0.000 -3.156 31.511 1.00 0.00 ? 1 DT A P 9 +ATOM 4822 O OP1 . DT A 1 14 B -1.165 -3.153 32.420 1.00 0.00 ? 1 DT A OP1 9 +ATOM 4823 O OP2 . DT A 1 14 B 1.062 -2.141 31.676 1.00 0.00 ? 1 DT A OP2 9 +ATOM 4824 O "O5'" . DT A 1 14 B 0.683 -4.611 31.556 1.00 0.00 ? 1 DT A "O5'" 9 +ATOM 4825 C "C5'" . DT A 1 14 B 1.909 -4.870 30.891 1.00 0.00 ? 1 DT A "C5'" 9 +ATOM 4826 C "C4'" . DT A 1 14 B 1.801 -6.113 29.991 1.00 0.00 ? 1 DT A "C4'" 9 +ATOM 4827 O "O4'" . DT A 1 14 B 0.875 -5.864 28.931 1.00 0.00 ? 1 DT A "O4'" 9 +ATOM 4828 C "C3'" . DT A 1 14 B 3.168 -6.409 29.343 1.00 0.00 ? 1 DT A "C3'" 9 +ATOM 4829 O "O3'" . DT A 1 14 B 3.348 -7.807 29.172 1.00 0.00 ? 1 DT A "O3'" 9 +ATOM 4830 C "C2'" . DT A 1 14 B 2.996 -5.692 28.021 1.00 0.00 ? 1 DT A "C2'" 9 +ATOM 4831 C "C1'" . DT A 1 14 B 1.547 -6.014 27.700 1.00 0.00 ? 1 DT A "C1'" 9 +ATOM 4832 N N1 . DT A 1 14 B 1.006 -5.097 26.670 1.00 0.00 ? 1 DT A N1 9 +ATOM 4833 C C2 . DT A 1 14 B 0.441 -5.670 25.532 1.00 0.00 ? 1 DT A C2 9 +ATOM 4834 O O2 . DT A 1 14 B 0.067 -6.832 25.453 1.00 0.00 ? 1 DT A O2 9 +ATOM 4835 N N3 . DT A 1 14 B 0.306 -4.856 24.438 1.00 0.00 ? 1 DT A N3 9 +ATOM 4836 C C4 . DT A 1 14 B 0.649 -3.530 24.390 1.00 0.00 ? 1 DT A C4 9 +ATOM 4837 O O4 . DT A 1 14 B 0.632 -2.975 23.298 1.00 0.00 ? 1 DT A O4 9 +ATOM 4838 C C5 . DT A 1 14 B 1.020 -2.931 25.677 1.00 0.00 ? 1 DT A C5 9 +ATOM 4839 C C7 . DT A 1 14 B 1.212 -1.418 25.797 1.00 0.00 ? 1 DT A C7 9 +ATOM 4840 C C6 . DT A 1 14 B 1.188 -3.733 26.770 1.00 0.00 ? 1 DT A C6 9 +ATOM 4841 H "H5'" . DT A 1 14 B 2.663 -5.048 31.660 1.00 0.00 ? 1 DT A "H5'" 9 +ATOM 4842 H "H5''" . DT A 1 14 B 2.245 -4.027 30.282 1.00 0.00 ? 1 DT A "H5''" 9 +ATOM 4843 H "H4'" . DT A 1 14 B 1.471 -6.961 30.593 1.00 0.00 ? 1 DT A "H4'" 9 +ATOM 4844 H "H3'" . DT A 1 14 B 3.980 -5.943 29.899 1.00 0.00 ? 1 DT A "H3'" 9 +ATOM 4845 H "H2'" . DT A 1 14 B 3.201 -4.636 28.171 1.00 0.00 ? 1 DT A "H2'" 9 +ATOM 4846 H "H2''" . DT A 1 14 B 3.635 -6.078 27.248 1.00 0.00 ? 1 DT A "H2''" 9 +ATOM 4847 H "H1'" . DT A 1 14 B 1.544 -7.059 27.388 1.00 0.00 ? 1 DT A "H1'" 9 +ATOM 4848 H H3 . DT A 1 14 B -0.079 -5.259 23.606 1.00 0.00 ? 1 DT A H3 9 +ATOM 4849 H H71 . DT A 1 14 B 1.760 -1.153 26.703 1.00 0.00 ? 1 DT A H71 9 +ATOM 4850 H H72 . DT A 1 14 B 0.234 -0.921 25.805 1.00 0.00 ? 1 DT A H72 9 +ATOM 4851 H H73 . DT A 1 14 B 1.778 -1.047 24.940 1.00 0.00 ? 1 DT A H73 9 +ATOM 4852 H H6 . DT A 1 14 B 1.491 -3.335 27.741 1.00 0.00 ? 1 DT A H6 9 +ATOM 4853 P P . DU A 1 15 B 4.701 -8.436 28.559 1.00 0.00 ? 2 DU A P 9 +ATOM 4854 O OP1 . DU A 1 15 B 4.703 -9.885 28.844 1.00 0.00 ? 2 DU A OP1 9 +ATOM 4855 O OP2 . DU A 1 15 B 5.836 -7.591 28.984 1.00 0.00 ? 2 DU A OP2 9 +ATOM 4856 O "O5'" . DU A 1 15 B 4.505 -8.260 26.969 1.00 0.00 ? 2 DU A "O5'" 9 +ATOM 4857 C "C5'" . DU A 1 15 B 3.493 -8.961 26.269 1.00 0.00 ? 2 DU A "C5'" 9 +ATOM 4858 C "C4'" . DU A 1 15 B 3.058 -8.282 24.943 1.00 0.00 ? 2 DU A "C4'" 9 +ATOM 4859 O "O4'" . DU A 1 15 B 2.931 -6.864 24.998 1.00 0.00 ? 2 DU A "O4'" 9 +ATOM 4860 C "C3'" . DU A 1 15 B 3.754 -8.663 23.626 1.00 0.00 ? 2 DU A "C3'" 9 +ATOM 4861 O "O3'" . DU A 1 15 B 2.849 -9.451 22.835 1.00 0.00 ? 2 DU A "O3'" 9 +ATOM 4862 C "C2'" . DU A 1 15 B 4.045 -7.305 22.956 1.00 0.00 ? 2 DU A "C2'" 9 +ATOM 4863 C "C1'" . DU A 1 15 B 3.473 -6.211 23.850 1.00 0.00 ? 2 DU A "C1'" 9 +ATOM 4864 N N1 . DU A 1 15 B 4.474 -5.298 24.364 1.00 0.00 ? 2 DU A N1 9 +ATOM 4865 C C2 . DU A 1 15 B 4.443 -3.954 24.290 1.00 0.00 ? 2 DU A C2 9 +ATOM 4866 O O2 . DU A 1 15 B 3.787 -3.338 23.464 1.00 0.00 ? 2 DU A O2 9 +ATOM 4867 N N3 . DU A 1 15 B 5.076 -3.211 25.265 1.00 0.00 ? 2 DU A N3 9 +ATOM 4868 C C4 . DU A 1 15 B 5.633 -3.747 26.408 1.00 0.00 ? 2 DU A C4 9 +ATOM 4869 O O4 . DU A 1 15 B 5.962 -2.990 27.310 1.00 0.00 ? 2 DU A O4 9 +ATOM 4870 C C5 . DU A 1 15 B 5.789 -5.190 26.379 1.00 0.00 ? 2 DU A C5 9 +ATOM 4871 C C6 . DU A 1 15 B 5.376 -5.910 25.327 1.00 0.00 ? 2 DU A C6 9 +ATOM 4872 H "H5'" . DU A 1 15 B 2.598 -9.035 26.890 1.00 0.00 ? 2 DU A "H5'" 9 +ATOM 4873 H "H5''" . DU A 1 15 B 3.831 -9.978 26.060 1.00 0.00 ? 2 DU A "H5''" 9 +ATOM 4874 H "H4'" . DU A 1 15 B 2.020 -8.544 24.871 1.00 0.00 ? 2 DU A "H4'" 9 +ATOM 4875 H "H3'" . DU A 1 15 B 4.672 -9.236 23.840 1.00 0.00 ? 2 DU A "H3'" 9 +ATOM 4876 H "H2'" . DU A 1 15 B 5.115 -7.172 22.758 1.00 0.00 ? 2 DU A "H2'" 9 +ATOM 4877 H "H2''" . DU A 1 15 B 3.523 -7.250 22.001 1.00 0.00 ? 2 DU A "H2''" 9 +ATOM 4878 H "H1'" . DU A 1 15 B 2.657 -5.682 23.335 1.00 0.00 ? 2 DU A "H1'" 9 +ATOM 4879 H H3 . DU A 1 15 B 4.942 -2.220 25.238 1.00 0.00 ? 2 DU A H3 9 +ATOM 4880 H H5 . DU A 1 15 B 6.103 -5.814 27.190 1.00 0.00 ? 2 DU A H5 9 +ATOM 4881 H H6 . DU A 1 15 B 5.624 -6.955 25.274 1.00 0.00 ? 2 DU A H6 9 +ATOM 4882 P P . DG A 1 16 B 3.562 -10.092 21.529 1.00 0.00 ? 3 DG A P 9 +ATOM 4883 O OP1 . DG A 1 16 B 4.594 -11.032 22.017 1.00 0.00 ? 3 DG A OP1 9 +ATOM 4884 O OP2 . DG A 1 16 B 3.950 -9.017 20.588 1.00 0.00 ? 3 DG A OP2 9 +ATOM 4885 O "O5'" . DG A 1 16 B 2.389 -10.961 20.845 1.00 0.00 ? 3 DG A "O5'" 9 +ATOM 4886 C "C5'" . DG A 1 16 B 1.419 -10.392 19.977 1.00 0.00 ? 3 DG A "C5'" 9 +ATOM 4887 C "C4'" . DG A 1 16 B 0.340 -9.546 20.686 1.00 0.00 ? 3 DG A "C4'" 9 +ATOM 4888 O "O4'" . DG A 1 16 B 0.839 -8.258 21.042 1.00 0.00 ? 3 DG A "O4'" 9 +ATOM 4889 C "C3'" . DG A 1 16 B -0.869 -9.313 19.757 1.00 0.00 ? 3 DG A "C3'" 9 +ATOM 4890 O "O3'" . DG A 1 16 B -2.077 -9.442 20.482 1.00 0.00 ? 3 DG A "O3'" 9 +ATOM 4891 C "C2'" . DG A 1 16 B -0.660 -7.871 19.321 1.00 0.00 ? 3 DG A "C2'" 9 +ATOM 4892 C "C1'" . DG A 1 16 B -0.076 -7.274 20.594 1.00 0.00 ? 3 DG A "C1'" 9 +ATOM 4893 N N9 . DG A 1 16 B 0.627 -6.007 20.315 1.00 0.00 ? 3 DG A N9 9 +ATOM 4894 C C8 . DG A 1 16 B 1.874 -5.821 19.773 1.00 0.00 ? 3 DG A C8 9 +ATOM 4895 N N7 . DG A 1 16 B 2.216 -4.569 19.640 1.00 0.00 ? 3 DG A N7 9 +ATOM 4896 C C5 . DG A 1 16 B 1.088 -3.869 20.085 1.00 0.00 ? 3 DG A C5 9 +ATOM 4897 C C6 . DG A 1 16 B 0.775 -2.467 20.116 1.00 0.00 ? 3 DG A C6 9 +ATOM 4898 O O6 . DG A 1 16 B 1.498 -1.517 19.846 1.00 0.00 ? 3 DG A O6 9 +ATOM 4899 N N1 . DG A 1 16 B -0.524 -2.176 20.490 1.00 0.00 ? 3 DG A N1 9 +ATOM 4900 C C2 . DG A 1 16 B -1.412 -3.129 20.862 1.00 0.00 ? 3 DG A C2 9 +ATOM 4901 N N2 . DG A 1 16 B -2.645 -2.736 21.011 1.00 0.00 ? 3 DG A N2 9 +ATOM 4902 N N3 . DG A 1 16 B -1.161 -4.438 20.869 1.00 0.00 ? 3 DG A N3 9 +ATOM 4903 C C4 . DG A 1 16 B 0.104 -4.747 20.469 1.00 0.00 ? 3 DG A C4 9 +ATOM 4904 H "H5'" . DG A 1 16 B 0.924 -11.250 19.520 1.00 0.00 ? 3 DG A "H5'" 9 +ATOM 4905 H "H5''" . DG A 1 16 B 1.889 -9.819 19.174 1.00 0.00 ? 3 DG A "H5''" 9 +ATOM 4906 H "H4'" . DG A 1 16 B 0.017 -10.079 21.583 1.00 0.00 ? 3 DG A "H4'" 9 +ATOM 4907 H "H3'" . DG A 1 16 B -0.837 -9.988 18.899 1.00 0.00 ? 3 DG A "H3'" 9 +ATOM 4908 H "H2'" . DG A 1 16 B 0.065 -7.837 18.507 1.00 0.00 ? 3 DG A "H2'" 9 +ATOM 4909 H "H2''" . DG A 1 16 B -1.585 -7.379 19.026 1.00 0.00 ? 3 DG A "H2''" 9 +ATOM 4910 H "H1'" . DG A 1 16 B -0.856 -7.140 21.347 1.00 0.00 ? 3 DG A "H1'" 9 +ATOM 4911 H H8 . DG A 1 16 B 2.518 -6.633 19.463 1.00 0.00 ? 3 DG A H8 9 +ATOM 4912 H H1 . DG A 1 16 B -0.811 -1.204 20.447 1.00 0.00 ? 3 DG A H1 9 +ATOM 4913 H H21 . DG A 1 16 B -2.900 -1.764 20.911 1.00 0.00 ? 3 DG A H21 9 +ATOM 4914 H H22 . DG A 1 16 B -3.314 -3.475 21.137 1.00 0.00 ? 3 DG A H22 9 +ATOM 4915 P P . DG A 1 17 B -3.488 -9.644 19.735 1.00 0.00 ? 4 DG A P 9 +ATOM 4916 O OP1 . DG A 1 17 B -4.438 -10.206 20.718 1.00 0.00 ? 4 DG A OP1 9 +ATOM 4917 O OP2 . DG A 1 17 B -3.229 -10.372 18.475 1.00 0.00 ? 4 DG A OP2 9 +ATOM 4918 O "O5'" . DG A 1 17 B -3.972 -8.151 19.361 1.00 0.00 ? 4 DG A "O5'" 9 +ATOM 4919 C "C5'" . DG A 1 17 B -4.717 -7.362 20.276 1.00 0.00 ? 4 DG A "C5'" 9 +ATOM 4920 C "C4'" . DG A 1 17 B -5.203 -6.036 19.656 1.00 0.00 ? 4 DG A "C4'" 9 +ATOM 4921 O "O4'" . DG A 1 17 B -4.151 -5.071 19.577 1.00 0.00 ? 4 DG A "O4'" 9 +ATOM 4922 C "C3'" . DG A 1 17 B -5.772 -6.203 18.229 1.00 0.00 ? 4 DG A "C3'" 9 +ATOM 4923 O "O3'" . DG A 1 17 B -6.930 -5.394 18.089 1.00 0.00 ? 4 DG A "O3'" 9 +ATOM 4924 C "C2'" . DG A 1 17 B -4.616 -5.641 17.410 1.00 0.00 ? 4 DG A "C2'" 9 +ATOM 4925 C "C1'" . DG A 1 17 B -4.226 -4.468 18.299 1.00 0.00 ? 4 DG A "C1'" 9 +ATOM 4926 N N9 . DG A 1 17 B -2.948 -3.847 17.906 1.00 0.00 ? 4 DG A N9 9 +ATOM 4927 C C8 . DG A 1 17 B -1.733 -4.431 17.669 1.00 0.00 ? 4 DG A C8 9 +ATOM 4928 N N7 . DG A 1 17 B -0.786 -3.590 17.348 1.00 0.00 ? 4 DG A N7 9 +ATOM 4929 C C5 . DG A 1 17 B -1.435 -2.348 17.344 1.00 0.00 ? 4 DG A C5 9 +ATOM 4930 C C6 . DG A 1 17 B -0.989 -1.016 17.038 1.00 0.00 ? 4 DG A C6 9 +ATOM 4931 O O6 . DG A 1 17 B 0.134 -0.629 16.738 1.00 0.00 ? 4 DG A O6 9 +ATOM 4932 N N1 . DG A 1 17 B -1.987 -0.057 17.071 1.00 0.00 ? 4 DG A N1 9 +ATOM 4933 C C2 . DG A 1 17 B -3.270 -0.344 17.403 1.00 0.00 ? 4 DG A C2 9 +ATOM 4934 N N2 . DG A 1 17 B -4.142 0.620 17.336 1.00 0.00 ? 4 DG A N2 9 +ATOM 4935 N N3 . DG A 1 17 B -3.722 -1.552 17.702 1.00 0.00 ? 4 DG A N3 9 +ATOM 4936 C C4 . DG A 1 17 B -2.762 -2.514 17.657 1.00 0.00 ? 4 DG A C4 9 +ATOM 4937 H "H5'" . DG A 1 17 B -4.123 -7.151 21.168 1.00 0.00 ? 4 DG A "H5'" 9 +ATOM 4938 H "H5''" . DG A 1 17 B -5.609 -7.915 20.578 1.00 0.00 ? 4 DG A "H5''" 9 +ATOM 4939 H "H4'" . DG A 1 17 B -5.978 -5.648 20.322 1.00 0.00 ? 4 DG A "H4'" 9 +ATOM 4940 H "H3'" . DG A 1 17 B -5.990 -7.246 17.985 1.00 0.00 ? 4 DG A "H3'" 9 +ATOM 4941 H "H2'" . DG A 1 17 B -3.815 -6.378 17.367 1.00 0.00 ? 4 DG A "H2'" 9 +ATOM 4942 H "H2''" . DG A 1 17 B -4.892 -5.355 16.403 1.00 0.00 ? 4 DG A "H2''" 9 +ATOM 4943 H "H1'" . DG A 1 17 B -5.021 -3.718 18.283 1.00 0.00 ? 4 DG A "H1'" 9 +ATOM 4944 H H8 . DG A 1 17 B -1.577 -5.495 17.743 1.00 0.00 ? 4 DG A H8 9 +ATOM 4945 H H1 . DG A 1 17 B -1.705 0.888 16.836 1.00 0.00 ? 4 DG A H1 9 +ATOM 4946 H H21 . DG A 1 17 B -3.870 1.556 17.079 1.00 0.00 ? 4 DG A H21 9 +ATOM 4947 H H22 . DG A 1 17 B -5.094 0.338 17.488 1.00 0.00 ? 4 DG A H22 9 +ATOM 4948 P P . DA A 1 18 B -7.778 -5.324 16.722 1.00 0.00 ? 5 DA A P 9 +ATOM 4949 O OP1 . DA A 1 18 B -9.209 -5.431 17.077 1.00 0.00 ? 5 DA A OP1 9 +ATOM 4950 O OP2 . DA A 1 18 B -7.190 -6.273 15.754 1.00 0.00 ? 5 DA A OP2 9 +ATOM 4951 O "O5'" . DA A 1 18 B -7.507 -3.824 16.180 1.00 0.00 ? 5 DA A "O5'" 9 +ATOM 4952 C "C5'" . DA A 1 18 B -8.077 -2.693 16.826 1.00 0.00 ? 5 DA A "C5'" 9 +ATOM 4953 C "C4'" . DA A 1 18 B -7.907 -1.389 16.021 1.00 0.00 ? 5 DA A "C4'" 9 +ATOM 4954 O "O4'" . DA A 1 18 B -6.545 -0.971 15.981 1.00 0.00 ? 5 DA A "O4'" 9 +ATOM 4955 C "C3'" . DA A 1 18 B -8.404 -1.503 14.567 1.00 0.00 ? 5 DA A "C3'" 9 +ATOM 4956 O "O3'" . DA A 1 18 B -9.140 -0.347 14.205 1.00 0.00 ? 5 DA A "O3'" 9 +ATOM 4957 C "C2'" . DA A 1 18 B -7.094 -1.582 13.809 1.00 0.00 ? 5 DA A "C2'" 9 +ATOM 4958 C "C1'" . DA A 1 18 B -6.206 -0.663 14.643 1.00 0.00 ? 5 DA A "C1'" 9 +ATOM 4959 N N9 . DA A 1 18 B -4.787 -0.994 14.441 1.00 0.00 ? 5 DA A N9 9 +ATOM 4960 C C8 . DA A 1 18 B -4.198 -2.222 14.572 1.00 0.00 ? 5 DA A C8 9 +ATOM 4961 N N7 . DA A 1 18 B -2.914 -2.235 14.342 1.00 0.00 ? 5 DA A N7 9 +ATOM 4962 C C5 . DA A 1 18 B -2.641 -0.898 14.031 1.00 0.00 ? 5 DA A C5 9 +ATOM 4963 C C6 . DA A 1 18 B -1.484 -0.177 13.667 1.00 0.00 ? 5 DA A C6 9 +ATOM 4964 N N6 . DA A 1 18 B -0.289 -0.718 13.554 1.00 0.00 ? 5 DA A N6 9 +ATOM 4965 N N1 . DA A 1 18 B -1.539 1.132 13.390 1.00 0.00 ? 5 DA A N1 9 +ATOM 4966 C C2 . DA A 1 18 B -2.713 1.743 13.504 1.00 0.00 ? 5 DA A C2 9 +ATOM 4967 N N3 . DA A 1 18 B -3.879 1.198 13.839 1.00 0.00 ? 5 DA A N3 9 +ATOM 4968 C C4 . DA A 1 18 B -3.777 -0.136 14.090 1.00 0.00 ? 5 DA A C4 9 +ATOM 4969 H "H5'" . DA A 1 18 B -7.627 -2.567 17.813 1.00 0.00 ? 5 DA A "H5'" 9 +ATOM 4970 H "H5''" . DA A 1 18 B -9.151 -2.846 16.956 1.00 0.00 ? 5 DA A "H5''" 9 +ATOM 4971 H "H4'" . DA A 1 18 B -8.477 -0.614 16.536 1.00 0.00 ? 5 DA A "H4'" 9 +ATOM 4972 H "H3'" . DA A 1 18 B -8.975 -2.417 14.408 1.00 0.00 ? 5 DA A "H3'" 9 +ATOM 4973 H "H2'" . DA A 1 18 B -6.769 -2.621 13.838 1.00 0.00 ? 5 DA A "H2'" 9 +ATOM 4974 H "H2''" . DA A 1 18 B -7.192 -1.273 12.774 1.00 0.00 ? 5 DA A "H2''" 9 +ATOM 4975 H "H1'" . DA A 1 18 B -6.429 0.386 14.431 1.00 0.00 ? 5 DA A "H1'" 9 +ATOM 4976 H H8 . DA A 1 18 B -4.772 -3.096 14.829 1.00 0.00 ? 5 DA A H8 9 +ATOM 4977 H H61 . DA A 1 18 B 0.473 -0.121 13.270 1.00 0.00 ? 5 DA A H61 9 +ATOM 4978 H H62 . DA A 1 18 B -0.165 -1.687 13.789 1.00 0.00 ? 5 DA A H62 9 +ATOM 4979 H H2 . DA A 1 18 B -2.730 2.798 13.285 1.00 0.00 ? 5 DA A H2 9 +ATOM 4980 P P . DT A 1 19 B -9.860 -0.206 12.771 1.00 0.00 ? 6 DT A P 9 +ATOM 4981 O OP1 . DT A 1 19 B -11.214 0.343 12.993 1.00 0.00 ? 6 DT A OP1 9 +ATOM 4982 O OP2 . DT A 1 19 B -9.691 -1.473 12.028 1.00 0.00 ? 6 DT A OP2 9 +ATOM 4983 O "O5'" . DT A 1 19 B -8.974 0.923 12.037 1.00 0.00 ? 6 DT A "O5'" 9 +ATOM 4984 C "C5'" . DT A 1 19 B -9.040 2.280 12.448 1.00 0.00 ? 6 DT A "C5'" 9 +ATOM 4985 C "C4'" . DT A 1 19 B -8.128 3.188 11.606 1.00 0.00 ? 6 DT A "C4'" 9 +ATOM 4986 O "O4'" . DT A 1 19 B -6.761 2.827 11.784 1.00 0.00 ? 6 DT A "O4'" 9 +ATOM 4987 C "C3'" . DT A 1 19 B -8.436 3.152 10.094 1.00 0.00 ? 6 DT A "C3'" 9 +ATOM 4988 O "O3'" . DT A 1 19 B -8.470 4.466 9.564 1.00 0.00 ? 6 DT A "O3'" 9 +ATOM 4989 C "C2'" . DT A 1 19 B -7.238 2.378 9.559 1.00 0.00 ? 6 DT A "C2'" 9 +ATOM 4990 C "C1'" . DT A 1 19 B -6.141 2.828 10.518 1.00 0.00 ? 6 DT A "C1'" 9 +ATOM 4991 N N1 . DT A 1 19 B -4.977 1.904 10.535 1.00 0.00 ? 6 DT A N1 9 +ATOM 4992 C C2 . DT A 1 19 B -3.723 2.430 10.227 1.00 0.00 ? 6 DT A C2 9 +ATOM 4993 O O2 . DT A 1 19 B -3.510 3.602 9.957 1.00 0.00 ? 6 DT A O2 9 +ATOM 4994 N N3 . DT A 1 19 B -2.673 1.551 10.196 1.00 0.00 ? 6 DT A N3 9 +ATOM 4995 C C4 . DT A 1 19 B -2.754 0.200 10.416 1.00 0.00 ? 6 DT A C4 9 +ATOM 4996 O O4 . DT A 1 19 B -1.740 -0.469 10.279 1.00 0.00 ? 6 DT A O4 9 +ATOM 4997 C C5 . DT A 1 19 B -4.078 -0.298 10.787 1.00 0.00 ? 6 DT A C5 9 +ATOM 4998 C C7 . DT A 1 19 B -4.315 -1.787 11.046 1.00 0.00 ? 6 DT A C7 9 +ATOM 4999 C C6 . DT A 1 19 B -5.129 0.564 10.843 1.00 0.00 ? 6 DT A C6 9 +ATOM 5000 H "H5'" . DT A 1 19 B -8.740 2.364 13.495 1.00 0.00 ? 6 DT A "H5'" 9 +ATOM 5001 H "H5''" . DT A 1 19 B -10.063 2.647 12.350 1.00 0.00 ? 6 DT A "H5''" 9 +ATOM 5002 H "H4'" . DT A 1 19 B -8.256 4.208 11.973 1.00 0.00 ? 6 DT A "H4'" 9 +ATOM 5003 H "H3'" . DT A 1 19 B -9.377 2.632 9.896 1.00 0.00 ? 6 DT A "H3'" 9 +ATOM 5004 H "H2'" . DT A 1 19 B -7.457 1.322 9.653 1.00 0.00 ? 6 DT A "H2'" 9 +ATOM 5005 H "H2''" . DT A 1 19 B -7.008 2.606 8.521 1.00 0.00 ? 6 DT A "H2''" 9 +ATOM 5006 H "H1'" . DT A 1 19 B -5.885 3.855 10.260 1.00 0.00 ? 6 DT A "H1'" 9 +ATOM 5007 H H3 . DT A 1 19 B -1.773 1.944 9.950 1.00 0.00 ? 6 DT A H3 9 +ATOM 5008 H H71 . DT A 1 19 B -4.419 -2.310 10.094 1.00 0.00 ? 6 DT A H71 9 +ATOM 5009 H H72 . DT A 1 19 B -3.473 -2.222 11.587 1.00 0.00 ? 6 DT A H72 9 +ATOM 5010 H H73 . DT A 1 19 B -5.217 -1.963 11.632 1.00 0.00 ? 6 DT A H73 9 +ATOM 5011 H H6 . DT A 1 19 B -6.093 0.189 11.156 1.00 0.00 ? 6 DT A H6 9 +ATOM 5012 P P . DC A 1 20 B -8.857 4.752 8.027 1.00 0.00 ? 7 DC A P 9 +ATOM 5013 O OP1 . DC A 1 20 B -9.729 5.946 7.991 1.00 0.00 ? 7 DC A OP1 9 +ATOM 5014 O OP2 . DC A 1 20 B -9.311 3.488 7.411 1.00 0.00 ? 7 DC A OP2 9 +ATOM 5015 O "O5'" . DC A 1 20 B -7.440 5.145 7.370 1.00 0.00 ? 7 DC A "O5'" 9 +ATOM 5016 C "C5'" . DC A 1 20 B -6.832 6.396 7.648 1.00 0.00 ? 7 DC A "C5'" 9 +ATOM 5017 C "C4'" . DC A 1 20 B -5.489 6.562 6.918 1.00 0.00 ? 7 DC A "C4'" 9 +ATOM 5018 O "O4'" . DC A 1 20 B -4.540 5.612 7.395 1.00 0.00 ? 7 DC A "O4'" 9 +ATOM 5019 C "C3'" . DC A 1 20 B -5.589 6.401 5.386 1.00 0.00 ? 7 DC A "C3'" 9 +ATOM 5020 O "O3'" . DC A 1 20 B -4.837 7.417 4.747 1.00 0.00 ? 7 DC A "O3'" 9 +ATOM 5021 C "C2'" . DC A 1 20 B -4.928 5.041 5.194 1.00 0.00 ? 7 DC A "C2'" 9 +ATOM 5022 C "C1'" . DC A 1 20 B -3.855 5.095 6.277 1.00 0.00 ? 7 DC A "C1'" 9 +ATOM 5023 N N1 . DC A 1 20 B -3.328 3.744 6.583 1.00 0.00 ? 7 DC A N1 9 +ATOM 5024 C C2 . DC A 1 20 B -1.968 3.499 6.416 1.00 0.00 ? 7 DC A C2 9 +ATOM 5025 O O2 . DC A 1 20 B -1.191 4.392 6.109 1.00 0.00 ? 7 DC A O2 9 +ATOM 5026 N N3 . DC A 1 20 B -1.468 2.247 6.570 1.00 0.00 ? 7 DC A N3 9 +ATOM 5027 C C4 . DC A 1 20 B -2.291 1.284 6.942 1.00 0.00 ? 7 DC A C4 9 +ATOM 5028 N N4 . DC A 1 20 B -1.757 0.104 7.077 1.00 0.00 ? 7 DC A N4 9 +ATOM 5029 C C5 . DC A 1 20 B -3.688 1.473 7.149 1.00 0.00 ? 7 DC A C5 9 +ATOM 5030 C C6 . DC A 1 20 B -4.165 2.726 6.966 1.00 0.00 ? 7 DC A C6 9 +ATOM 5031 H "H5'" . DC A 1 20 B -6.658 6.495 8.722 1.00 0.00 ? 7 DC A "H5'" 9 +ATOM 5032 H "H5''" . DC A 1 20 B -7.491 7.206 7.328 1.00 0.00 ? 7 DC A "H5''" 9 +ATOM 5033 H "H4'" . DC A 1 20 B -5.113 7.561 7.152 1.00 0.00 ? 7 DC A "H4'" 9 +ATOM 5034 H "H3'" . DC A 1 20 B -6.628 6.408 5.045 1.00 0.00 ? 7 DC A "H3'" 9 +ATOM 5035 H "H2'" . DC A 1 20 B -5.674 4.272 5.392 1.00 0.00 ? 7 DC A "H2'" 9 +ATOM 5036 H "H2''" . DC A 1 20 B -4.515 4.896 4.198 1.00 0.00 ? 7 DC A "H2''" 9 +ATOM 5037 H "H1'" . DC A 1 20 B -3.088 5.818 5.988 1.00 0.00 ? 7 DC A "H1'" 9 +ATOM 5038 H H41 . DC A 1 20 B -0.767 0.080 6.885 1.00 0.00 ? 7 DC A H41 9 +ATOM 5039 H H42 . DC A 1 20 B -2.285 -0.679 7.408 1.00 0.00 ? 7 DC A H42 9 +ATOM 5040 H H5 . DC A 1 20 B -4.355 0.680 7.437 1.00 0.00 ? 7 DC A H5 9 +ATOM 5041 H H6 . DC A 1 20 B -5.218 2.927 7.121 1.00 0.00 ? 7 DC A H6 9 +ATOM 5042 P P . DC A 1 21 B -4.798 7.581 3.146 1.00 0.00 ? 8 DC A P 9 +ATOM 5043 O OP1 . DC A 1 21 B -5.094 8.993 2.825 1.00 0.00 ? 8 DC A OP1 9 +ATOM 5044 O OP2 . DC A 1 21 B -5.600 6.500 2.535 1.00 0.00 ? 8 DC A OP2 9 +ATOM 5045 O "O5'" . DC A 1 21 B -3.248 7.300 2.808 1.00 0.00 ? 8 DC A "O5'" 9 +ATOM 5046 C "C5'" . DC A 1 21 B -2.237 8.206 3.221 1.00 0.00 ? 8 DC A "C5'" 9 +ATOM 5047 C "C4'" . DC A 1 21 B -0.835 7.761 2.768 1.00 0.00 ? 8 DC A "C4'" 9 +ATOM 5048 O "O4'" . DC A 1 21 B -0.476 6.521 3.372 1.00 0.00 ? 8 DC A "O4'" 9 +ATOM 5049 C "C3'" . DC A 1 21 B -0.706 7.606 1.241 1.00 0.00 ? 8 DC A "C3'" 9 +ATOM 5050 O "O3'" . DC A 1 21 B 0.518 8.165 0.793 1.00 0.00 ? 8 DC A "O3'" 9 +ATOM 5051 C "C2'" . DC A 1 21 B -0.727 6.099 1.095 1.00 0.00 ? 8 DC A "C2'" 9 +ATOM 5052 C "C1'" . DC A 1 21 B -0.034 5.630 2.367 1.00 0.00 ? 8 DC A "C1'" 9 +ATOM 5053 N N1 . DC A 1 21 B -0.467 4.252 2.705 1.00 0.00 ? 8 DC A N1 9 +ATOM 5054 C C2 . DC A 1 21 B 0.452 3.210 2.614 1.00 0.00 ? 8 DC A C2 9 +ATOM 5055 O O2 . DC A 1 21 B 1.604 3.395 2.249 1.00 0.00 ? 8 DC A O2 9 +ATOM 5056 N N3 . DC A 1 21 B 0.087 1.942 2.931 1.00 0.00 ? 8 DC A N3 9 +ATOM 5057 C C4 . DC A 1 21 B -1.154 1.725 3.334 1.00 0.00 ? 8 DC A C4 9 +ATOM 5058 N N4 . DC A 1 21 B -1.444 0.496 3.650 1.00 0.00 ? 8 DC A N4 9 +ATOM 5059 C C5 . DC A 1 21 B -2.151 2.737 3.400 1.00 0.00 ? 8 DC A C5 9 +ATOM 5060 C C6 . DC A 1 21 B -1.763 3.993 3.081 1.00 0.00 ? 8 DC A C6 9 +ATOM 5061 H "H5'" . DC A 1 21 B -2.237 8.289 4.311 1.00 0.00 ? 8 DC A "H5'" 9 +ATOM 5062 H "H5''" . DC A 1 21 B -2.430 9.194 2.799 1.00 0.00 ? 8 DC A "H5''" 9 +ATOM 5063 H "H4'" . DC A 1 21 B -0.130 8.521 3.112 1.00 0.00 ? 8 DC A "H4'" 9 +ATOM 5064 H "H3'" . DC A 1 21 B -1.559 8.022 0.705 1.00 0.00 ? 8 DC A "H3'" 9 +ATOM 5065 H "H2'" . DC A 1 21 B -1.765 5.769 1.044 1.00 0.00 ? 8 DC A "H2'" 9 +ATOM 5066 H "H2''" . DC A 1 21 B -0.193 5.791 0.209 1.00 0.00 ? 8 DC A "H2''" 9 +ATOM 5067 H "H1'" . DC A 1 21 B 1.047 5.752 2.263 1.00 0.00 ? 8 DC A "H1'" 9 +ATOM 5068 H H41 . DC A 1 21 B -0.667 -0.140 3.567 1.00 0.00 ? 8 DC A H41 9 +ATOM 5069 H H42 . DC A 1 21 B -2.351 0.243 3.987 1.00 0.00 ? 8 DC A H42 9 +ATOM 5070 H H5 . DC A 1 21 B -3.165 2.539 3.713 1.00 0.00 ? 8 DC A H5 9 +ATOM 5071 H H6 . DC A 1 21 B -2.480 4.803 3.117 1.00 0.00 ? 8 DC A H6 9 +ATOM 5072 P P . DT A 1 22 B 0.836 8.375 -0.772 1.00 0.00 ? 9 DT A P 9 +ATOM 5073 O OP1 . DT A 1 22 B 1.866 9.429 -0.893 1.00 0.00 ? 9 DT A OP1 9 +ATOM 5074 O OP2 . DT A 1 22 B -0.445 8.514 -1.497 1.00 0.00 ? 9 DT A OP2 9 +ATOM 5075 O "O5'" . DT A 1 22 B 1.502 6.979 -1.211 1.00 0.00 ? 9 DT A "O5'" 9 +ATOM 5076 C "C5'" . DT A 1 22 B 2.847 6.670 -0.885 1.00 0.00 ? 9 DT A "C5'" 9 +ATOM 5077 C "C4'" . DT A 1 22 B 3.207 5.242 -1.322 1.00 0.00 ? 9 DT A "C4'" 9 +ATOM 5078 O "O4'" . DT A 1 22 B 2.464 4.273 -0.601 1.00 0.00 ? 9 DT A "O4'" 9 +ATOM 5079 C "C3'" . DT A 1 22 B 2.933 4.952 -2.807 1.00 0.00 ? 9 DT A "C3'" 9 +ATOM 5080 O "O3'" . DT A 1 22 B 4.126 4.984 -3.564 1.00 0.00 ? 9 DT A "O3'" 9 +ATOM 5081 C "C2'" . DT A 1 22 B 2.380 3.525 -2.804 1.00 0.00 ? 9 DT A "C2'" 9 +ATOM 5082 C "C1'" . DT A 1 22 B 2.536 3.083 -1.350 1.00 0.00 ? 9 DT A "C1'" 9 +ATOM 5083 N N1 . DT A 1 22 B 1.465 2.151 -0.924 1.00 0.00 ? 9 DT A N1 9 +ATOM 5084 C C2 . DT A 1 22 B 1.834 0.863 -0.553 1.00 0.00 ? 9 DT A C2 9 +ATOM 5085 O O2 . DT A 1 22 B 2.965 0.412 -0.655 1.00 0.00 ? 9 DT A O2 9 +ATOM 5086 N N3 . DT A 1 22 B 0.843 0.053 -0.075 1.00 0.00 ? 9 DT A N3 9 +ATOM 5087 C C4 . DT A 1 22 B -0.472 0.396 0.093 1.00 0.00 ? 9 DT A C4 9 +ATOM 5088 O O4 . DT A 1 22 B -1.221 -0.447 0.573 1.00 0.00 ? 9 DT A O4 9 +ATOM 5089 C C5 . DT A 1 22 B -0.824 1.742 -0.376 1.00 0.00 ? 9 DT A C5 9 +ATOM 5090 C C7 . DT A 1 22 B -2.258 2.268 -0.342 1.00 0.00 ? 9 DT A C7 9 +ATOM 5091 C C6 . DT A 1 22 B 0.147 2.558 -0.869 1.00 0.00 ? 9 DT A C6 9 +ATOM 5092 H "H5'" . DT A 1 22 B 3.006 6.755 0.193 1.00 0.00 ? 9 DT A "H5'" 9 +ATOM 5093 H "H5''" . DT A 1 22 B 3.517 7.366 -1.394 1.00 0.00 ? 9 DT A "H5''" 9 +ATOM 5094 H "H4'" . DT A 1 22 B 4.266 5.075 -1.109 1.00 0.00 ? 9 DT A "H4'" 9 +ATOM 5095 H "H3'" . DT A 1 22 B 2.204 5.641 -3.238 1.00 0.00 ? 9 DT A "H3'" 9 +ATOM 5096 H "H2'" . DT A 1 22 B 1.333 3.565 -3.102 1.00 0.00 ? 9 DT A "H2'" 9 +ATOM 5097 H "H2''" . DT A 1 22 B 2.914 2.854 -3.474 1.00 0.00 ? 9 DT A "H2''" 9 +ATOM 5098 H "H1'" . DT A 1 22 B 3.543 2.679 -1.214 1.00 0.00 ? 9 DT A "H1'" 9 +ATOM 5099 H H3 . DT A 1 22 B 1.106 -0.894 0.158 1.00 0.00 ? 9 DT A H3 9 +ATOM 5100 H H71 . DT A 1 22 B -2.622 2.429 -1.358 1.00 0.00 ? 9 DT A H71 9 +ATOM 5101 H H72 . DT A 1 22 B -2.924 1.564 0.154 1.00 0.00 ? 9 DT A H72 9 +ATOM 5102 H H73 . DT A 1 22 B -2.303 3.215 0.201 1.00 0.00 ? 9 DT A H73 9 +ATOM 5103 H H6 . DT A 1 22 B -0.121 3.535 -1.250 1.00 0.00 ? 9 DT A H6 9 +ATOM 5104 O "O5'" . DA A 1 5 ? 7.460 -10.257 1.117 1.00 0.00 ? 1 DA A "O5'" 10 +ATOM 5105 C "C5'" . DA A 1 5 ? 6.102 -9.931 1.366 1.00 0.00 ? 1 DA A "C5'" 10 +ATOM 5106 C "C4'" . DA A 1 5 ? 5.590 -8.863 0.385 1.00 0.00 ? 1 DA A "C4'" 10 +ATOM 5107 O "O4'" . DA A 1 5 ? 4.243 -8.487 0.647 1.00 0.00 ? 1 DA A "O4'" 10 +ATOM 5108 C "C3'" . DA A 1 5 ? 6.383 -7.564 0.521 1.00 0.00 ? 1 DA A "C3'" 10 +ATOM 5109 O "O3'" . DA A 1 5 ? 7.393 -7.477 -0.458 1.00 0.00 ? 1 DA A "O3'" 10 +ATOM 5110 C "C2'" . DA A 1 5 ? 5.357 -6.455 0.315 1.00 0.00 ? 1 DA A "C2'" 10 +ATOM 5111 C "C1'" . DA A 1 5 ? 4.046 -7.205 0.071 1.00 0.00 ? 1 DA A "C1'" 10 +ATOM 5112 N N9 . DA A 1 5 ? 2.863 -6.523 0.639 1.00 0.00 ? 1 DA A N9 10 +ATOM 5113 C C8 . DA A 1 5 ? 1.794 -7.054 1.320 1.00 0.00 ? 1 DA A C8 10 +ATOM 5114 N N7 . DA A 1 5 ? 0.846 -6.195 1.585 1.00 0.00 ? 1 DA A N7 10 +ATOM 5115 C C5 . DA A 1 5 ? 1.335 -4.999 1.042 1.00 0.00 ? 1 DA A C5 10 +ATOM 5116 C C6 . DA A 1 5 ? 0.857 -3.672 0.927 1.00 0.00 ? 1 DA A C6 10 +ATOM 5117 N N6 . DA A 1 5 ? -0.311 -3.251 1.371 1.00 0.00 ? 1 DA A N6 10 +ATOM 5118 N N1 . DA A 1 5 ? 1.562 -2.734 0.282 1.00 0.00 ? 1 DA A N1 10 +ATOM 5119 C C2 . DA A 1 5 ? 2.736 -3.079 -0.232 1.00 0.00 ? 1 DA A C2 10 +ATOM 5120 N N3 . DA A 1 5 ? 3.307 -4.277 -0.207 1.00 0.00 ? 1 DA A N3 10 +ATOM 5121 C C4 . DA A 1 5 ? 2.558 -5.197 0.460 1.00 0.00 ? 1 DA A C4 10 +ATOM 5122 H "H5'" . DA A 1 5 ? 6.003 -9.576 2.394 1.00 0.00 ? 1 DA A "H5'" 10 +ATOM 5123 H "H5''" . DA A 1 5 ? 5.503 -10.835 1.254 1.00 0.00 ? 1 DA A "H5''" 10 +ATOM 5124 H "H4'" . DA A 1 5 ? 5.676 -9.254 -0.633 1.00 0.00 ? 1 DA A "H4'" 10 +ATOM 5125 H "H3'" . DA A 1 5 ? 6.755 -7.513 1.546 1.00 0.00 ? 1 DA A "H3'" 10 +ATOM 5126 H "H2'" . DA A 1 5 ? 5.323 -5.835 1.212 1.00 0.00 ? 1 DA A "H2'" 10 +ATOM 5127 H "H2''" . DA A 1 5 ? 5.602 -5.820 -0.539 1.00 0.00 ? 1 DA A "H2''" 10 +ATOM 5128 H "H1'" . DA A 1 5 ? 3.886 -7.315 -1.004 1.00 0.00 ? 1 DA A "H1'" 10 +ATOM 5129 H H8 . DA A 1 5 ? 1.716 -8.098 1.597 1.00 0.00 ? 1 DA A H8 10 +ATOM 5130 H H61 . DA A 1 5 ? -0.516 -2.266 1.254 1.00 0.00 ? 1 DA A H61 10 +ATOM 5131 H H62 . DA A 1 5 ? -0.879 -3.867 1.923 1.00 0.00 ? 1 DA A H62 10 +ATOM 5132 H H2 . DA A 1 5 ? 3.281 -2.305 -0.749 1.00 0.00 ? 1 DA A H2 10 +ATOM 5133 H "HO5'" . DA A 1 5 ? 8.026 -9.467 1.210 1.00 0.00 ? 1 DA A "HO5'" 10 +ATOM 5134 P P . DG A 1 6 ? 8.908 -7.251 -0.014 1.00 0.00 ? 2 DG A P 10 +ATOM 5135 O OP1 . DG A 1 6 ? 9.763 -7.351 -1.214 1.00 0.00 ? 2 DG A OP1 10 +ATOM 5136 O OP2 . DG A 1 6 ? 9.122 -8.158 1.139 1.00 0.00 ? 2 DG A OP2 10 +ATOM 5137 O "O5'" . DG A 1 6 ? 8.868 -5.716 0.483 1.00 0.00 ? 2 DG A "O5'" 10 +ATOM 5138 C "C5'" . DG A 1 6 ? 8.810 -5.346 1.853 1.00 0.00 ? 2 DG A "C5'" 10 +ATOM 5139 C "C4'" . DG A 1 6 ? 8.448 -3.852 1.978 1.00 0.00 ? 2 DG A "C4'" 10 +ATOM 5140 O "O4'" . DG A 1 6 ? 7.051 -3.634 1.755 1.00 0.00 ? 2 DG A "O4'" 10 +ATOM 5141 C "C3'" . DG A 1 6 ? 8.764 -3.262 3.371 1.00 0.00 ? 2 DG A "C3'" 10 +ATOM 5142 O "O3'" . DG A 1 6 ? 9.476 -2.049 3.219 1.00 0.00 ? 2 DG A "O3'" 10 +ATOM 5143 C "C2'" . DG A 1 6 ? 7.366 -3.007 3.927 1.00 0.00 ? 2 DG A "C2'" 10 +ATOM 5144 C "C1'" . DG A 1 6 ? 6.629 -2.624 2.651 1.00 0.00 ? 2 DG A "C1'" 10 +ATOM 5145 N N9 . DG A 1 6 ? 5.162 -2.635 2.836 1.00 0.00 ? 2 DG A N9 10 +ATOM 5146 C C8 . DG A 1 6 ? 4.344 -3.677 3.192 1.00 0.00 ? 2 DG A C8 10 +ATOM 5147 N N7 . DG A 1 6 ? 3.084 -3.366 3.299 1.00 0.00 ? 2 DG A N7 10 +ATOM 5148 C C5 . DG A 1 6 ? 3.066 -1.996 3.020 1.00 0.00 ? 2 DG A C5 10 +ATOM 5149 C C6 . DG A 1 6 ? 2.001 -1.034 3.008 1.00 0.00 ? 2 DG A C6 10 +ATOM 5150 O O6 . DG A 1 6 ? 0.810 -1.211 3.223 1.00 0.00 ? 2 DG A O6 10 +ATOM 5151 N N1 . DG A 1 6 ? 2.396 0.253 2.701 1.00 0.00 ? 2 DG A N1 10 +ATOM 5152 C C2 . DG A 1 6 ? 3.677 0.578 2.401 1.00 0.00 ? 2 DG A C2 10 +ATOM 5153 N N2 . DG A 1 6 ? 3.932 1.842 2.208 1.00 0.00 ? 2 DG A N2 10 +ATOM 5154 N N3 . DG A 1 6 ? 4.696 -0.276 2.406 1.00 0.00 ? 2 DG A N3 10 +ATOM 5155 C C4 . DG A 1 6 ? 4.331 -1.549 2.724 1.00 0.00 ? 2 DG A C4 10 +ATOM 5156 H "H5'" . DG A 1 6 ? 9.797 -5.519 2.287 1.00 0.00 ? 2 DG A "H5'" 10 +ATOM 5157 H "H5''" . DG A 1 6 ? 8.077 -5.928 2.413 1.00 0.00 ? 2 DG A "H5''" 10 +ATOM 5158 H "H4'" . DG A 1 6 ? 9.015 -3.304 1.222 1.00 0.00 ? 2 DG A "H4'" 10 +ATOM 5159 H "H3'" . DG A 1 6 ? 9.322 -3.965 3.995 1.00 0.00 ? 2 DG A "H3'" 10 +ATOM 5160 H "H2'" . DG A 1 6 ? 6.978 -3.934 4.349 1.00 0.00 ? 2 DG A "H2'" 10 +ATOM 5161 H "H2''" . DG A 1 6 ? 7.333 -2.222 4.680 1.00 0.00 ? 2 DG A "H2''" 10 +ATOM 5162 H "H1'" . DG A 1 6 ? 6.974 -1.650 2.293 1.00 0.00 ? 2 DG A "H1'" 10 +ATOM 5163 H H8 . DG A 1 6 ? 4.694 -4.677 3.382 1.00 0.00 ? 2 DG A H8 10 +ATOM 5164 H H1 . DG A 1 6 ? 1.664 0.954 2.718 1.00 0.00 ? 2 DG A H1 10 +ATOM 5165 H H21 . DG A 1 6 ? 3.197 2.531 2.267 1.00 0.00 ? 2 DG A H21 10 +ATOM 5166 H H22 . DG A 1 6 ? 4.907 2.068 2.119 1.00 0.00 ? 2 DG A H22 10 +ATOM 5167 P P . DG A 1 7 ? 10.004 -1.202 4.479 1.00 0.00 ? 3 DG A P 10 +ATOM 5168 O OP1 . DG A 1 7 ? 11.379 -0.754 4.174 1.00 0.00 ? 3 DG A OP1 10 +ATOM 5169 O OP2 . DG A 1 7 ? 9.736 -1.981 5.707 1.00 0.00 ? 3 DG A OP2 10 +ATOM 5170 O "O5'" . DG A 1 7 ? 9.033 0.087 4.465 1.00 0.00 ? 3 DG A "O5'" 10 +ATOM 5171 C "C5'" . DG A 1 7 ? 9.084 1.018 3.395 1.00 0.00 ? 3 DG A "C5'" 10 +ATOM 5172 C "C4'" . DG A 1 7 ? 8.224 2.273 3.634 1.00 0.00 ? 3 DG A "C4'" 10 +ATOM 5173 O "O4'" . DG A 1 7 ? 6.832 1.962 3.649 1.00 0.00 ? 3 DG A "O4'" 10 +ATOM 5174 C "C3'" . DG A 1 7 ? 8.554 2.991 4.956 1.00 0.00 ? 3 DG A "C3'" 10 +ATOM 5175 O "O3'" . DG A 1 7 ? 8.505 4.392 4.752 1.00 0.00 ? 3 DG A "O3'" 10 +ATOM 5176 C "C2'" . DG A 1 7 ? 7.407 2.535 5.850 1.00 0.00 ? 3 DG A "C2'" 10 +ATOM 5177 C "C1'" . DG A 1 7 ? 6.259 2.467 4.845 1.00 0.00 ? 3 DG A "C1'" 10 +ATOM 5178 N N9 . DG A 1 7 ? 5.173 1.566 5.282 1.00 0.00 ? 3 DG A N9 10 +ATOM 5179 C C8 . DG A 1 7 ? 5.207 0.210 5.492 1.00 0.00 ? 3 DG A C8 10 +ATOM 5180 N N7 . DG A 1 7 ? 4.051 -0.315 5.798 1.00 0.00 ? 3 DG A N7 10 +ATOM 5181 C C5 . DG A 1 7 ? 3.181 0.781 5.793 1.00 0.00 ? 3 DG A C5 10 +ATOM 5182 C C6 . DG A 1 7 ? 1.770 0.898 6.037 1.00 0.00 ? 3 DG A C6 10 +ATOM 5183 O O6 . DG A 1 7 ? 0.969 0.022 6.337 1.00 0.00 ? 3 DG A O6 10 +ATOM 5184 N N1 . DG A 1 7 ? 1.273 2.183 5.921 1.00 0.00 ? 3 DG A N1 10 +ATOM 5185 C C2 . DG A 1 7 ? 2.041 3.236 5.552 1.00 0.00 ? 3 DG A C2 10 +ATOM 5186 N N2 . DG A 1 7 ? 1.473 4.407 5.511 1.00 0.00 ? 3 DG A N2 10 +ATOM 5187 N N3 . DG A 1 7 ? 3.345 3.176 5.321 1.00 0.00 ? 3 DG A N3 10 +ATOM 5188 C C4 . DG A 1 7 ? 3.863 1.926 5.461 1.00 0.00 ? 3 DG A C4 10 +ATOM 5189 H "H5'" . DG A 1 7 ? 8.750 0.536 2.473 1.00 0.00 ? 3 DG A "H5'" 10 +ATOM 5190 H "H5''" . DG A 1 7 ? 10.113 1.356 3.251 1.00 0.00 ? 3 DG A "H5''" 10 +ATOM 5191 H "H4'" . DG A 1 7 ? 8.433 2.938 2.791 1.00 0.00 ? 3 DG A "H4'" 10 +ATOM 5192 H "H3'" . DG A 1 7 ? 9.528 2.682 5.343 1.00 0.00 ? 3 DG A "H3'" 10 +ATOM 5193 H "H2'" . DG A 1 7 ? 7.630 1.562 6.282 1.00 0.00 ? 3 DG A "H2'" 10 +ATOM 5194 H "H2''" . DG A 1 7 ? 7.218 3.237 6.653 1.00 0.00 ? 3 DG A "H2''" 10 +ATOM 5195 H "H1'" . DG A 1 7 ? 5.876 3.476 4.671 1.00 0.00 ? 3 DG A "H1'" 10 +ATOM 5196 H H8 . DG A 1 7 ? 6.102 -0.386 5.391 1.00 0.00 ? 3 DG A H8 10 +ATOM 5197 H H1 . DG A 1 7 ? 0.283 2.301 6.105 1.00 0.00 ? 3 DG A H1 10 +ATOM 5198 H H21 . DG A 1 7 ? 0.506 4.526 5.773 1.00 0.00 ? 3 DG A H21 10 +ATOM 5199 H H22 . DG A 1 7 ? 2.094 5.172 5.318 1.00 0.00 ? 3 DG A H22 10 +ATOM 5200 P P . DA A 1 8 ? 8.897 5.434 5.914 1.00 0.00 ? 4 DA A P 10 +ATOM 5201 O OP1 . DA A 1 8 ? 9.362 6.677 5.263 1.00 0.00 ? 4 DA A OP1 10 +ATOM 5202 O OP2 . DA A 1 8 ? 9.774 4.738 6.879 1.00 0.00 ? 4 DA A OP2 10 +ATOM 5203 O "O5'" . DA A 1 8 ? 7.487 5.738 6.638 1.00 0.00 ? 4 DA A "O5'" 10 +ATOM 5204 C "C5'" . DA A 1 8 ? 6.531 6.601 6.045 1.00 0.00 ? 4 DA A "C5'" 10 +ATOM 5205 C "C4'" . DA A 1 8 ? 5.286 6.804 6.926 1.00 0.00 ? 4 DA A "C4'" 10 +ATOM 5206 O "O4'" . DA A 1 8 ? 4.441 5.661 6.980 1.00 0.00 ? 4 DA A "O4'" 10 +ATOM 5207 C "C3'" . DA A 1 8 ? 5.583 7.222 8.381 1.00 0.00 ? 4 DA A "C3'" 10 +ATOM 5208 O "O3'" . DA A 1 8 ? 5.041 8.506 8.633 1.00 0.00 ? 4 DA A "O3'" 10 +ATOM 5209 C "C2'" . DA A 1 8 ? 4.905 6.113 9.174 1.00 0.00 ? 4 DA A "C2'" 10 +ATOM 5210 C "C1'" . DA A 1 8 ? 3.790 5.674 8.235 1.00 0.00 ? 4 DA A "C1'" 10 +ATOM 5211 N N9 . DA A 1 8 ? 3.353 4.303 8.550 1.00 0.00 ? 4 DA A N9 10 +ATOM 5212 C C8 . DA A 1 8 ? 4.125 3.170 8.598 1.00 0.00 ? 4 DA A C8 10 +ATOM 5213 N N7 . DA A 1 8 ? 3.463 2.077 8.856 1.00 0.00 ? 4 DA A N7 10 +ATOM 5214 C C5 . DA A 1 8 ? 2.148 2.533 8.993 1.00 0.00 ? 4 DA A C5 10 +ATOM 5215 C C6 . DA A 1 8 ? 0.907 1.921 9.271 1.00 0.00 ? 4 DA A C6 10 +ATOM 5216 N N6 . DA A 1 8 ? 0.766 0.630 9.484 1.00 0.00 ? 4 DA A N6 10 +ATOM 5217 N N1 . DA A 1 8 ? -0.218 2.638 9.372 1.00 0.00 ? 4 DA A N1 10 +ATOM 5218 C C2 . DA A 1 8 ? -0.138 3.948 9.162 1.00 0.00 ? 4 DA A C2 10 +ATOM 5219 N N3 . DA A 1 8 ? 0.952 4.656 8.881 1.00 0.00 ? 4 DA A N3 10 +ATOM 5220 C C4 . DA A 1 8 ? 2.073 3.888 8.813 1.00 0.00 ? 4 DA A C4 10 +ATOM 5221 H "H5'" . DA A 1 8 ? 6.217 6.205 5.076 1.00 0.00 ? 4 DA A "H5'" 10 +ATOM 5222 H "H5''" . DA A 1 8 ? 6.982 7.583 5.888 1.00 0.00 ? 4 DA A "H5''" 10 +ATOM 5223 H "H4'" . DA A 1 8 ? 4.694 7.589 6.450 1.00 0.00 ? 4 DA A "H4'" 10 +ATOM 5224 H "H3'" . DA A 1 8 ? 6.647 7.177 8.608 1.00 0.00 ? 4 DA A "H3'" 10 +ATOM 5225 H "H2'" . DA A 1 8 ? 5.635 5.320 9.337 1.00 0.00 ? 4 DA A "H2'" 10 +ATOM 5226 H "H2''" . DA A 1 8 ? 4.520 6.455 10.127 1.00 0.00 ? 4 DA A "H2''" 10 +ATOM 5227 H "H1'" . DA A 1 8 ? 2.967 6.393 8.237 1.00 0.00 ? 4 DA A "H1'" 10 +ATOM 5228 H H8 . DA A 1 8 ? 5.194 3.189 8.440 1.00 0.00 ? 4 DA A H8 10 +ATOM 5229 H H61 . DA A 1 8 ? -0.156 0.290 9.703 1.00 0.00 ? 4 DA A H61 10 +ATOM 5230 H H62 . DA A 1 8 ? 1.570 0.029 9.422 1.00 0.00 ? 4 DA A H62 10 +ATOM 5231 H H2 . DA A 1 8 ? -1.060 4.503 9.240 1.00 0.00 ? 4 DA A H2 10 +ATOM 5232 P P . DT A 1 9 ? 5.297 9.290 10.014 1.00 0.00 ? 5 DT A P 10 +ATOM 5233 O OP1 . DT A 1 9 ? 5.109 10.734 9.763 1.00 0.00 ? 5 DT A OP1 10 +ATOM 5234 O OP2 . DT A 1 9 ? 6.556 8.799 10.611 1.00 0.00 ? 5 DT A OP2 10 +ATOM 5235 O "O5'" . DT A 1 9 ? 4.074 8.779 10.919 1.00 0.00 ? 5 DT A "O5'" 10 +ATOM 5236 C "C5'" . DT A 1 9 ? 2.739 9.128 10.602 1.00 0.00 ? 5 DT A "C5'" 10 +ATOM 5237 C "C4'" . DT A 1 9 ? 1.760 8.318 11.458 1.00 0.00 ? 5 DT A "C4'" 10 +ATOM 5238 O "O4'" . DT A 1 9 ? 1.814 6.927 11.184 1.00 0.00 ? 5 DT A "O4'" 10 +ATOM 5239 C "C3'" . DT A 1 9 ? 1.895 8.515 12.979 1.00 0.00 ? 5 DT A "C3'" 10 +ATOM 5240 O "O3'" . DT A 1 9 ? 0.710 9.097 13.490 1.00 0.00 ? 5 DT A "O3'" 10 +ATOM 5241 C "C2'" . DT A 1 9 ? 2.045 7.065 13.422 1.00 0.00 ? 5 DT A "C2'" 10 +ATOM 5242 C "C1'" . DT A 1 9 ? 1.260 6.333 12.328 1.00 0.00 ? 5 DT A "C1'" 10 +ATOM 5243 N N1 . DT A 1 9 ? 1.510 4.871 12.303 1.00 0.00 ? 5 DT A N1 10 +ATOM 5244 C C2 . DT A 1 9 ? 0.408 4.026 12.408 1.00 0.00 ? 5 DT A C2 10 +ATOM 5245 O O2 . DT A 1 9 ? -0.752 4.404 12.461 1.00 0.00 ? 5 DT A O2 10 +ATOM 5246 N N3 . DT A 1 9 ? 0.667 2.686 12.484 1.00 0.00 ? 5 DT A N3 10 +ATOM 5247 C C4 . DT A 1 9 ? 1.906 2.101 12.444 1.00 0.00 ? 5 DT A C4 10 +ATOM 5248 O O4 . DT A 1 9 ? 1.972 0.887 12.583 1.00 0.00 ? 5 DT A O4 10 +ATOM 5249 C C5 . DT A 1 9 ? 3.024 3.024 12.246 1.00 0.00 ? 5 DT A C5 10 +ATOM 5250 C C7 . DT A 1 9 ? 4.460 2.513 12.123 1.00 0.00 ? 5 DT A C7 10 +ATOM 5251 C C6 . DT A 1 9 ? 2.789 4.363 12.188 1.00 0.00 ? 5 DT A C6 10 +ATOM 5252 H "H5'" . DT A 1 9 ? 2.522 8.917 9.552 1.00 0.00 ? 5 DT A "H5'" 10 +ATOM 5253 H "H5''" . DT A 1 9 ? 2.580 10.192 10.787 1.00 0.00 ? 5 DT A "H5''" 10 +ATOM 5254 H "H4'" . DT A 1 9 ? 0.737 8.577 11.205 1.00 0.00 ? 5 DT A "H4'" 10 +ATOM 5255 H "H3'" . DT A 1 9 ? 2.778 9.105 13.235 1.00 0.00 ? 5 DT A "H3'" 10 +ATOM 5256 H "H2'" . DT A 1 9 ? 3.108 6.832 13.408 1.00 0.00 ? 5 DT A "H2'" 10 +ATOM 5257 H "H2''" . DT A 1 9 ? 1.673 6.898 14.425 1.00 0.00 ? 5 DT A "H2''" 10 +ATOM 5258 H "H1'" . DT A 1 9 ? 0.195 6.606 12.344 1.00 0.00 ? 5 DT A "H1'" 10 +ATOM 5259 H H3 . DT A 1 9 ? -0.136 2.095 12.656 1.00 0.00 ? 5 DT A H3 10 +ATOM 5260 H H71 . DT A 1 9 ? 4.473 1.549 11.608 1.00 0.00 ? 5 DT A H71 10 +ATOM 5261 H H72 . DT A 1 9 ? 5.085 3.203 11.552 1.00 0.00 ? 5 DT A H72 10 +ATOM 5262 H H73 . DT A 1 9 ? 4.894 2.385 13.116 1.00 0.00 ? 5 DT A H73 10 +ATOM 5263 H H6 . DT A 1 9 ? 3.620 5.041 12.052 1.00 0.00 ? 5 DT A H6 10 +ATOM 5264 P P . DC A 1 10 ? 0.561 9.544 15.025 1.00 0.00 ? 6 DC A P 10 +ATOM 5265 O OP1 . DC A 1 10 ? 0.204 10.978 15.056 1.00 0.00 ? 6 DC A OP1 10 +ATOM 5266 O OP2 . DC A 1 10 ? 1.729 9.049 15.783 1.00 0.00 ? 6 DC A OP2 10 +ATOM 5267 O "O5'" . DC A 1 10 ? -0.725 8.689 15.473 1.00 0.00 ? 6 DC A "O5'" 10 +ATOM 5268 C "C5'" . DC A 1 10 ? -2.010 8.952 14.930 1.00 0.00 ? 6 DC A "C5'" 10 +ATOM 5269 C "C4'" . DC A 1 10 ? -3.067 7.965 15.459 1.00 0.00 ? 6 DC A "C4'" 10 +ATOM 5270 O "O4'" . DC A 1 10 ? -2.762 6.641 15.031 1.00 0.00 ? 6 DC A "O4'" 10 +ATOM 5271 C "C3'" . DC A 1 10 ? -3.158 7.955 16.995 1.00 0.00 ? 6 DC A "C3'" 10 +ATOM 5272 O "O3'" . DC A 1 10 ? -4.503 7.769 17.399 1.00 0.00 ? 6 DC A "O3'" 10 +ATOM 5273 C "C2'" . DC A 1 10 ? -2.319 6.732 17.334 1.00 0.00 ? 6 DC A "C2'" 10 +ATOM 5274 C "C1'" . DC A 1 10 ? -2.663 5.807 16.169 1.00 0.00 ? 6 DC A "C1'" 10 +ATOM 5275 N N1 . DC A 1 10 ? -1.590 4.804 15.962 1.00 0.00 ? 6 DC A N1 10 +ATOM 5276 C C2 . DC A 1 10 ? -1.831 3.483 16.320 1.00 0.00 ? 6 DC A C2 10 +ATOM 5277 O O2 . DC A 1 10 ? -2.933 3.120 16.702 1.00 0.00 ? 6 DC A O2 10 +ATOM 5278 N N3 . DC A 1 10 ? -0.840 2.559 16.262 1.00 0.00 ? 6 DC A N3 10 +ATOM 5279 C C4 . DC A 1 10 ? 0.352 2.940 15.840 1.00 0.00 ? 6 DC A C4 10 +ATOM 5280 N N4 . DC A 1 10 ? 1.263 2.009 15.832 1.00 0.00 ? 6 DC A N4 10 +ATOM 5281 C C5 . DC A 1 10 ? 0.661 4.275 15.440 1.00 0.00 ? 6 DC A C5 10 +ATOM 5282 C C6 . DC A 1 10 ? -0.349 5.173 15.507 1.00 0.00 ? 6 DC A C6 10 +ATOM 5283 H "H5'" . DC A 1 10 ? -1.982 8.873 13.841 1.00 0.00 ? 6 DC A "H5'" 10 +ATOM 5284 H "H5''" . DC A 1 10 ? -2.320 9.966 15.195 1.00 0.00 ? 6 DC A "H5''" 10 +ATOM 5285 H "H4'" . DC A 1 10 ? -4.031 8.257 15.036 1.00 0.00 ? 6 DC A "H4'" 10 +ATOM 5286 H "H3'" . DC A 1 10 ? -2.741 8.875 17.414 1.00 0.00 ? 6 DC A "H3'" 10 +ATOM 5287 H "H2'" . DC A 1 10 ? -1.266 7.015 17.327 1.00 0.00 ? 6 DC A "H2'" 10 +ATOM 5288 H "H2''" . DC A 1 10 ? -2.573 6.305 18.301 1.00 0.00 ? 6 DC A "H2''" 10 +ATOM 5289 H "H1'" . DC A 1 10 ? -3.650 5.372 16.339 1.00 0.00 ? 6 DC A "H1'" 10 +ATOM 5290 H H41 . DC A 1 10 ? 0.920 1.109 16.138 1.00 0.00 ? 6 DC A H41 10 +ATOM 5291 H H42 . DC A 1 10 ? 2.202 2.190 15.539 1.00 0.00 ? 6 DC A H42 10 +ATOM 5292 H H5 . DC A 1 10 ? 1.627 4.601 15.080 1.00 0.00 ? 6 DC A H5 10 +ATOM 5293 H H6 . DC A 1 10 ? -0.176 6.192 15.190 1.00 0.00 ? 6 DC A H6 10 +ATOM 5294 P P . DC A 1 11 ? -4.945 7.902 18.940 1.00 0.00 ? 7 DC A P 10 +ATOM 5295 O OP1 . DC A 1 11 ? -6.318 8.452 18.967 1.00 0.00 ? 7 DC A OP1 10 +ATOM 5296 O OP2 . DC A 1 11 ? -3.864 8.596 19.670 1.00 0.00 ? 7 DC A OP2 10 +ATOM 5297 O "O5'" . DC A 1 11 ? -5.000 6.379 19.468 1.00 0.00 ? 7 DC A "O5'" 10 +ATOM 5298 C "C5'" . DC A 1 11 ? -6.151 5.568 19.278 1.00 0.00 ? 7 DC A "C5'" 10 +ATOM 5299 C "C4'" . DC A 1 11 ? -6.038 4.228 20.031 1.00 0.00 ? 7 DC A "C4'" 10 +ATOM 5300 O "O4'" . DC A 1 11 ? -5.080 3.373 19.404 1.00 0.00 ? 7 DC A "O4'" 10 +ATOM 5301 C "C3'" . DC A 1 11 ? -5.626 4.410 21.511 1.00 0.00 ? 7 DC A "C3'" 10 +ATOM 5302 O "O3'" . DC A 1 11 ? -6.411 3.615 22.371 1.00 0.00 ? 7 DC A "O3'" 10 +ATOM 5303 C "C2'" . DC A 1 11 ? -4.200 3.885 21.456 1.00 0.00 ? 7 DC A "C2'" 10 +ATOM 5304 C "C1'" . DC A 1 11 ? -4.328 2.767 20.430 1.00 0.00 ? 7 DC A "C1'" 10 +ATOM 5305 N N1 . DC A 1 11 ? -2.985 2.363 19.965 1.00 0.00 ? 7 DC A N1 10 +ATOM 5306 C C2 . DC A 1 11 ? -2.515 1.079 20.247 1.00 0.00 ? 7 DC A C2 10 +ATOM 5307 O O2 . DC A 1 11 ? -3.262 0.195 20.648 1.00 0.00 ? 7 DC A O2 10 +ATOM 5308 N N3 . DC A 1 11 ? -1.197 0.777 20.091 1.00 0.00 ? 7 DC A N3 10 +ATOM 5309 C C4 . DC A 1 11 ? -0.371 1.748 19.733 1.00 0.00 ? 7 DC A C4 10 +ATOM 5310 N N4 . DC A 1 11 ? 0.883 1.438 19.578 1.00 0.00 ? 7 DC A N4 10 +ATOM 5311 C C5 . DC A 1 11 ? -0.789 3.090 19.532 1.00 0.00 ? 7 DC A C5 10 +ATOM 5312 C C6 . DC A 1 11 ? -2.103 3.342 19.606 1.00 0.00 ? 7 DC A C6 10 +ATOM 5313 H "H5'" . DC A 1 11 ? -6.307 5.377 18.214 1.00 0.00 ? 7 DC A "H5'" 10 +ATOM 5314 H "H5''" . DC A 1 11 ? -7.031 6.082 19.671 1.00 0.00 ? 7 DC A "H5''" 10 +ATOM 5315 H "H4'" . DC A 1 11 ? -7.011 3.735 19.985 1.00 0.00 ? 7 DC A "H4'" 10 +ATOM 5316 H "H3'" . DC A 1 11 ? -5.670 5.461 21.811 1.00 0.00 ? 7 DC A "H3'" 10 +ATOM 5317 H "H2'" . DC A 1 11 ? -3.613 4.721 21.115 1.00 0.00 ? 7 DC A "H2'" 10 +ATOM 5318 H "H2''" . DC A 1 11 ? -3.724 3.538 22.362 1.00 0.00 ? 7 DC A "H2''" 10 +ATOM 5319 H "H1'" . DC A 1 11 ? -4.909 1.957 20.862 1.00 0.00 ? 7 DC A "H1'" 10 +ATOM 5320 H H41 . DC A 1 11 ? 1.111 0.474 19.756 1.00 0.00 ? 7 DC A H41 10 +ATOM 5321 H H42 . DC A 1 11 ? 1.548 2.127 19.291 1.00 0.00 ? 7 DC A H42 10 +ATOM 5322 H H5 . DC A 1 11 ? -0.148 3.937 19.457 1.00 0.00 ? 7 DC A H5 10 +ATOM 5323 H H6 . DC A 1 11 ? -2.436 4.356 19.447 1.00 0.00 ? 7 DC A H6 10 +ATOM 5324 P P . DT A 1 12 ? -6.297 3.760 23.968 1.00 0.00 ? 8 DT A P 10 +ATOM 5325 O OP1 . DT A 1 12 ? -7.640 4.071 24.501 1.00 0.00 ? 8 DT A OP1 10 +ATOM 5326 O OP2 . DT A 1 12 ? -5.144 4.627 24.294 1.00 0.00 ? 8 DT A OP2 10 +ATOM 5327 O "O5'" . DT A 1 12 ? -5.908 2.272 24.407 1.00 0.00 ? 8 DT A "O5'" 10 +ATOM 5328 C "C5'" . DT A 1 12 ? -6.805 1.191 24.242 1.00 0.00 ? 8 DT A "C5'" 10 +ATOM 5329 C "C4'" . DT A 1 12 ? -6.204 -0.112 24.794 1.00 0.00 ? 8 DT A "C4'" 10 +ATOM 5330 O "O4'" . DT A 1 12 ? -5.040 -0.485 24.069 1.00 0.00 ? 8 DT A "O4'" 10 +ATOM 5331 C "C3'" . DT A 1 12 ? -5.779 -0.007 26.266 1.00 0.00 ? 8 DT A "C3'" 10 +ATOM 5332 O "O3'" . DT A 1 12 ? -5.929 -1.316 26.808 1.00 0.00 ? 8 DT A "O3'" 10 +ATOM 5333 C "C2'" . DT A 1 12 ? -4.318 0.381 26.117 1.00 0.00 ? 8 DT A "C2'" 10 +ATOM 5334 C "C1'" . DT A 1 12 ? -3.936 -0.508 24.957 1.00 0.00 ? 8 DT A "C1'" 10 +ATOM 5335 N N1 . DT A 1 12 ? -2.744 -0.050 24.214 1.00 0.00 ? 8 DT A N1 10 +ATOM 5336 C C2 . DT A 1 12 ? -1.773 -1.009 23.958 1.00 0.00 ? 8 DT A C2 10 +ATOM 5337 O O2 . DT A 1 12 ? -1.887 -2.196 24.226 1.00 0.00 ? 8 DT A O2 10 +ATOM 5338 N N3 . DT A 1 12 ? -0.625 -0.575 23.358 1.00 0.00 ? 8 DT A N3 10 +ATOM 5339 C C4 . DT A 1 12 ? -0.306 0.728 23.087 1.00 0.00 ? 8 DT A C4 10 +ATOM 5340 O O4 . DT A 1 12 ? 0.818 0.964 22.664 1.00 0.00 ? 8 DT A O4 10 +ATOM 5341 C C5 . DT A 1 12 ? -1.370 1.700 23.354 1.00 0.00 ? 8 DT A C5 10 +ATOM 5342 C C7 . DT A 1 12 ? -1.125 3.196 23.159 1.00 0.00 ? 8 DT A C7 10 +ATOM 5343 C C6 . DT A 1 12 ? -2.551 1.280 23.889 1.00 0.00 ? 8 DT A C6 10 +ATOM 5344 H "H5'" . DT A 1 12 ? -7.035 1.051 23.183 1.00 0.00 ? 8 DT A "H5'" 10 +ATOM 5345 H "H5''" . DT A 1 12 ? -7.735 1.393 24.778 1.00 0.00 ? 8 DT A "H5''" 10 +ATOM 5346 H "H4'" . DT A 1 12 ? -6.960 -0.890 24.671 1.00 0.00 ? 8 DT A "H4'" 10 +ATOM 5347 H "H3'" . DT A 1 12 ? -6.316 0.780 26.787 1.00 0.00 ? 8 DT A "H3'" 10 +ATOM 5348 H "H2'" . DT A 1 12 ? -4.184 1.434 25.918 1.00 0.00 ? 8 DT A "H2'" 10 +ATOM 5349 H "H2''" . DT A 1 12 ? -3.737 0.141 26.979 1.00 0.00 ? 8 DT A "H2''" 10 +ATOM 5350 H "H1'" . DT A 1 12 ? -3.800 -1.446 25.496 1.00 0.00 ? 8 DT A "H1'" 10 +ATOM 5351 H H3 . DT A 1 12 ? 0.059 -1.282 23.144 1.00 0.00 ? 8 DT A H3 10 +ATOM 5352 H H71 . DT A 1 12 ? -1.614 3.779 23.943 1.00 0.00 ? 8 DT A H71 10 +ATOM 5353 H H72 . DT A 1 12 ? -0.056 3.400 23.198 1.00 0.00 ? 8 DT A H72 10 +ATOM 5354 H H73 . DT A 1 12 ? -1.490 3.530 22.193 1.00 0.00 ? 8 DT A H73 10 +ATOM 5355 H H6 . DT A 1 12 ? -3.348 1.993 24.092 1.00 0.00 ? 8 DT A H6 10 +ATOM 5356 P P . DT A 1 13 ? -5.686 -1.685 28.350 1.00 0.00 ? 9 DT A P 10 +ATOM 5357 O OP1 . DT A 1 13 ? -6.076 -3.098 28.536 1.00 0.00 ? 9 DT A OP1 10 +ATOM 5358 O OP2 . DT A 1 13 ? -6.345 -0.641 29.158 1.00 0.00 ? 9 DT A OP2 10 +ATOM 5359 O "O5'" . DT A 1 13 ? -4.080 -1.588 28.543 1.00 0.00 ? 9 DT A "O5'" 10 +ATOM 5360 C "C5'" . DT A 1 13 ? -3.217 -2.605 28.044 1.00 0.00 ? 9 DT A "C5'" 10 +ATOM 5361 C "C4'" . DT A 1 13 ? -1.730 -2.189 28.023 1.00 0.00 ? 9 DT A "C4'" 10 +ATOM 5362 O "O4'" . DT A 1 13 ? -1.471 -1.006 27.252 1.00 0.00 ? 9 DT A "O4'" 10 +ATOM 5363 C "C3'" . DT A 1 13 ? -1.168 -1.997 29.437 1.00 0.00 ? 9 DT A "C3'" 10 +ATOM 5364 O "O3'" . DT A 1 13 ? -0.493 -3.139 29.914 1.00 0.00 ? 9 DT A "O3'" 10 +ATOM 5365 C "C2'" . DT A 1 13 ? -0.165 -0.872 29.204 1.00 0.00 ? 9 DT A "C2'" 10 +ATOM 5366 C "C1'" . DT A 1 13 ? -0.672 -0.094 27.992 1.00 0.00 ? 9 DT A "C1'" 10 +ATOM 5367 N N1 . DT A 1 13 ? -1.483 1.107 28.275 1.00 0.00 ? 9 DT A N1 10 +ATOM 5368 C C2 . DT A 1 13 ? -1.558 2.078 27.275 1.00 0.00 ? 9 DT A C2 10 +ATOM 5369 O O2 . DT A 1 13 ? -0.802 2.132 26.317 1.00 0.00 ? 9 DT A O2 10 +ATOM 5370 N N3 . DT A 1 13 ? -2.541 3.026 27.394 1.00 0.00 ? 9 DT A N3 10 +ATOM 5371 C C4 . DT A 1 13 ? -3.457 3.096 28.414 1.00 0.00 ? 9 DT A C4 10 +ATOM 5372 O O4 . DT A 1 13 ? -4.262 4.017 28.403 1.00 0.00 ? 9 DT A O4 10 +ATOM 5373 C C5 . DT A 1 13 ? -3.332 2.051 29.432 1.00 0.00 ? 9 DT A C5 10 +ATOM 5374 C C7 . DT A 1 13 ? -4.421 1.806 30.460 1.00 0.00 ? 9 DT A C7 10 +ATOM 5375 C C6 . DT A 1 13 ? -2.361 1.108 29.324 1.00 0.00 ? 9 DT A C6 10 +ATOM 5376 H "H5'" . DT A 1 13 ? -3.499 -2.901 27.034 1.00 0.00 ? 9 DT A "H5'" 10 +ATOM 5377 H "H5''" . DT A 1 13 ? -3.317 -3.489 28.677 1.00 0.00 ? 9 DT A "H5''" 10 +ATOM 5378 H "H4'" . DT A 1 13 ? -1.176 -2.997 27.545 1.00 0.00 ? 9 DT A "H4'" 10 +ATOM 5379 H "H3'" . DT A 1 13 ? -1.971 -1.726 30.123 1.00 0.00 ? 9 DT A "H3'" 10 +ATOM 5380 H "H2'" . DT A 1 13 ? 0.028 -0.278 30.088 1.00 0.00 ? 9 DT A "H2'" 10 +ATOM 5381 H "H2''" . DT A 1 13 ? 0.778 -1.321 28.920 1.00 0.00 ? 9 DT A "H2''" 10 +ATOM 5382 H "H1'" . DT A 1 13 ? 0.200 0.261 27.444 1.00 0.00 ? 9 DT A "H1'" 10 +ATOM 5383 H H3 . DT A 1 13 ? -2.646 3.690 26.651 1.00 0.00 ? 9 DT A H3 10 +ATOM 5384 H H71 . DT A 1 13 ? -5.150 2.618 30.490 1.00 0.00 ? 9 DT A H71 10 +ATOM 5385 H H72 . DT A 1 13 ? -4.918 0.895 30.115 1.00 0.00 ? 9 DT A H72 10 +ATOM 5386 H H73 . DT A 1 13 ? -4.007 1.646 31.457 1.00 0.00 ? 9 DT A H73 10 +ATOM 5387 H H6 . DT A 1 13 ? -2.285 0.306 30.040 1.00 0.00 ? 9 DT A H6 10 +ATOM 5388 P P . DT A 1 14 B 0.043 -3.195 31.426 1.00 0.00 ? 1 DT A P 10 +ATOM 5389 O OP1 . DT A 1 14 B -1.126 -3.135 32.328 1.00 0.00 ? 1 DT A OP1 10 +ATOM 5390 O OP2 . DT A 1 14 B 1.130 -2.202 31.571 1.00 0.00 ? 1 DT A OP2 10 +ATOM 5391 O "O5'" . DT A 1 14 B 0.692 -4.663 31.528 1.00 0.00 ? 1 DT A "O5'" 10 +ATOM 5392 C "C5'" . DT A 1 14 B 1.906 -4.982 30.868 1.00 0.00 ? 1 DT A "C5'" 10 +ATOM 5393 C "C4'" . DT A 1 14 B 1.728 -6.189 29.931 1.00 0.00 ? 1 DT A "C4'" 10 +ATOM 5394 O "O4'" . DT A 1 14 B 0.841 -5.854 28.861 1.00 0.00 ? 1 DT A "O4'" 10 +ATOM 5395 C "C3'" . DT A 1 14 B 3.085 -6.572 29.308 1.00 0.00 ? 1 DT A "C3'" 10 +ATOM 5396 O "O3'" . DT A 1 14 B 3.215 -7.980 29.204 1.00 0.00 ? 1 DT A "O3'" 10 +ATOM 5397 C "C2'" . DT A 1 14 B 2.964 -5.904 27.953 1.00 0.00 ? 1 DT A "C2'" 10 +ATOM 5398 C "C1'" . DT A 1 14 B 1.493 -6.103 27.636 1.00 0.00 ? 1 DT A "C1'" 10 +ATOM 5399 N N1 . DT A 1 14 B 1.051 -5.155 26.584 1.00 0.00 ? 1 DT A N1 10 +ATOM 5400 C C2 . DT A 1 14 B 0.466 -5.688 25.436 1.00 0.00 ? 1 DT A C2 10 +ATOM 5401 O O2 . DT A 1 14 B 0.014 -6.821 25.349 1.00 0.00 ? 1 DT A O2 10 +ATOM 5402 N N3 . DT A 1 14 B 0.394 -4.861 24.345 1.00 0.00 ? 1 DT A N3 10 +ATOM 5403 C C4 . DT A 1 14 B 0.769 -3.542 24.325 1.00 0.00 ? 1 DT A C4 10 +ATOM 5404 O O4 . DT A 1 14 B 0.765 -2.959 23.248 1.00 0.00 ? 1 DT A O4 10 +ATOM 5405 C C5 . DT A 1 14 B 1.152 -2.975 25.621 1.00 0.00 ? 1 DT A C5 10 +ATOM 5406 C C7 . DT A 1 14 B 1.381 -1.466 25.760 1.00 0.00 ? 1 DT A C7 10 +ATOM 5407 C C6 . DT A 1 14 B 1.287 -3.799 26.701 1.00 0.00 ? 1 DT A C6 10 +ATOM 5408 H "H5'" . DT A 1 14 B 2.631 -5.239 31.641 1.00 0.00 ? 1 DT A "H5'" 10 +ATOM 5409 H "H5''" . DT A 1 14 B 2.312 -4.147 30.291 1.00 0.00 ? 1 DT A "H5''" 10 +ATOM 5410 H "H4'" . DT A 1 14 B 1.324 -7.026 30.504 1.00 0.00 ? 1 DT A "H4'" 10 +ATOM 5411 H "H3'" . DT A 1 14 B 3.914 -6.130 29.861 1.00 0.00 ? 1 DT A "H3'" 10 +ATOM 5412 H "H2'" . DT A 1 14 B 3.253 -4.860 28.054 1.00 0.00 ? 1 DT A "H2'" 10 +ATOM 5413 H "H2''" . DT A 1 14 B 3.563 -6.381 27.197 1.00 0.00 ? 1 DT A "H2''" 10 +ATOM 5414 H "H1'" . DT A 1 14 B 1.371 -7.150 27.356 1.00 0.00 ? 1 DT A "H1'" 10 +ATOM 5415 H H3 . DT A 1 14 B -0.022 -5.227 23.512 1.00 0.00 ? 1 DT A H3 10 +ATOM 5416 H H71 . DT A 1 14 B 1.889 -1.224 26.695 1.00 0.00 ? 1 DT A H71 10 +ATOM 5417 H H72 . DT A 1 14 B 0.422 -0.928 25.714 1.00 0.00 ? 1 DT A H72 10 +ATOM 5418 H H73 . DT A 1 14 B 2.007 -1.111 24.939 1.00 0.00 ? 1 DT A H73 10 +ATOM 5419 H H6 . DT A 1 14 B 1.598 -3.423 27.677 1.00 0.00 ? 1 DT A H6 10 +ATOM 5420 P P . DU A 1 15 B 4.551 -8.679 28.630 1.00 0.00 ? 2 DU A P 10 +ATOM 5421 O OP1 . DU A 1 15 B 4.546 -10.095 29.050 1.00 0.00 ? 2 DU A OP1 10 +ATOM 5422 O OP2 . DU A 1 15 B 5.704 -7.809 28.941 1.00 0.00 ? 2 DU A OP2 10 +ATOM 5423 O "O5'" . DU A 1 15 B 4.307 -8.647 27.039 1.00 0.00 ? 2 DU A "O5'" 10 +ATOM 5424 C "C5'" . DU A 1 15 B 3.221 -9.341 26.457 1.00 0.00 ? 2 DU A "C5'" 10 +ATOM 5425 C "C4'" . DU A 1 15 B 2.820 -8.800 25.065 1.00 0.00 ? 2 DU A "C4'" 10 +ATOM 5426 O "O4'" . DU A 1 15 B 2.768 -7.384 24.961 1.00 0.00 ? 2 DU A "O4'" 10 +ATOM 5427 C "C3'" . DU A 1 15 B 3.503 -9.365 23.811 1.00 0.00 ? 2 DU A "C3'" 10 +ATOM 5428 O "O3'" . DU A 1 15 B 2.594 -10.272 23.161 1.00 0.00 ? 2 DU A "O3'" 10 +ATOM 5429 C "C2'" . DU A 1 15 B 3.826 -8.116 22.962 1.00 0.00 ? 2 DU A "C2'" 10 +ATOM 5430 C "C1'" . DU A 1 15 B 3.284 -6.904 23.721 1.00 0.00 ? 2 DU A "C1'" 10 +ATOM 5431 N N1 . DU A 1 15 B 4.306 -5.946 24.093 1.00 0.00 ? 2 DU A N1 10 +ATOM 5432 C C2 . DU A 1 15 B 4.291 -4.626 23.833 1.00 0.00 ? 2 DU A C2 10 +ATOM 5433 O O2 . DU A 1 15 B 3.641 -4.127 22.927 1.00 0.00 ? 2 DU A O2 10 +ATOM 5434 N N3 . DU A 1 15 B 4.932 -3.762 24.695 1.00 0.00 ? 2 DU A N3 10 +ATOM 5435 C C4 . DU A 1 15 B 5.486 -4.139 25.901 1.00 0.00 ? 2 DU A C4 10 +ATOM 5436 O O4 . DU A 1 15 B 5.822 -3.268 26.691 1.00 0.00 ? 2 DU A O4 10 +ATOM 5437 C C5 . DU A 1 15 B 5.629 -5.574 26.073 1.00 0.00 ? 2 DU A C5 10 +ATOM 5438 C C6 . DU A 1 15 B 5.203 -6.428 25.135 1.00 0.00 ? 2 DU A C6 10 +ATOM 5439 H "H5'" . DU A 1 15 B 2.337 -9.250 27.091 1.00 0.00 ? 2 DU A "H5'" 10 +ATOM 5440 H "H5''" . DU A 1 15 B 3.463 -10.402 26.377 1.00 0.00 ? 2 DU A "H5''" 10 +ATOM 5441 H "H4'" . DU A 1 15 B 1.770 -8.999 25.014 1.00 0.00 ? 2 DU A "H4'" 10 +ATOM 5442 H "H3'" . DU A 1 15 B 4.421 -9.900 24.105 1.00 0.00 ? 2 DU A "H3'" 10 +ATOM 5443 H "H2'" . DU A 1 15 B 4.910 -8.042 22.792 1.00 0.00 ? 2 DU A "H2'" 10 +ATOM 5444 H "H2''" . DU A 1 15 B 3.330 -8.160 21.987 1.00 0.00 ? 2 DU A "H2''" 10 +ATOM 5445 H "H1'" . DU A 1 15 B 2.453 -6.439 23.171 1.00 0.00 ? 2 DU A "H1'" 10 +ATOM 5446 H H3 . DU A 1 15 B 4.809 -2.782 24.529 1.00 0.00 ? 2 DU A H3 10 +ATOM 5447 H H5 . DU A 1 15 B 5.944 -6.087 26.958 1.00 0.00 ? 2 DU A H5 10 +ATOM 5448 H H6 . DU A 1 15 B 5.434 -7.474 25.237 1.00 0.00 ? 2 DU A H6 10 +ATOM 5449 P P . DG A 1 16 B 3.244 -11.040 21.885 1.00 0.00 ? 3 DG A P 10 +ATOM 5450 O OP1 . DG A 1 16 B 2.421 -12.237 21.607 1.00 0.00 ? 3 DG A OP1 10 +ATOM 5451 O OP2 . DG A 1 16 B 4.697 -11.198 22.121 1.00 0.00 ? 3 DG A OP2 10 +ATOM 5452 O "O5'" . DG A 1 16 B 3.056 -10.019 20.650 1.00 0.00 ? 3 DG A "O5'" 10 +ATOM 5453 C "C5'" . DG A 1 16 B 1.833 -9.888 19.938 1.00 0.00 ? 3 DG A "C5'" 10 +ATOM 5454 C "C4'" . DG A 1 16 B 0.664 -9.289 20.753 1.00 0.00 ? 3 DG A "C4'" 10 +ATOM 5455 O "O4'" . DG A 1 16 B 1.008 -7.988 21.230 1.00 0.00 ? 3 DG A "O4'" 10 +ATOM 5456 C "C3'" . DG A 1 16 B -0.574 -9.123 19.850 1.00 0.00 ? 3 DG A "C3'" 10 +ATOM 5457 O "O3'" . DG A 1 16 B -1.764 -9.308 20.593 1.00 0.00 ? 3 DG A "O3'" 10 +ATOM 5458 C "C2'" . DG A 1 16 B -0.440 -7.668 19.428 1.00 0.00 ? 3 DG A "C2'" 10 +ATOM 5459 C "C1'" . DG A 1 16 B 0.084 -7.046 20.717 1.00 0.00 ? 3 DG A "C1'" 10 +ATOM 5460 N N9 . DG A 1 16 B 0.769 -5.769 20.442 1.00 0.00 ? 3 DG A N9 10 +ATOM 5461 C C8 . DG A 1 16 B 2.027 -5.572 19.934 1.00 0.00 ? 3 DG A C8 10 +ATOM 5462 N N7 . DG A 1 16 B 2.338 -4.322 19.741 1.00 0.00 ? 3 DG A N7 10 +ATOM 5463 C C5 . DG A 1 16 B 1.184 -3.633 20.137 1.00 0.00 ? 3 DG A C5 10 +ATOM 5464 C C6 . DG A 1 16 B 0.844 -2.239 20.126 1.00 0.00 ? 3 DG A C6 10 +ATOM 5465 O O6 . DG A 1 16 B 1.548 -1.284 19.828 1.00 0.00 ? 3 DG A O6 10 +ATOM 5466 N N1 . DG A 1 16 B -0.460 -1.962 20.495 1.00 0.00 ? 3 DG A N1 10 +ATOM 5467 C C2 . DG A 1 16 B -1.328 -2.921 20.898 1.00 0.00 ? 3 DG A C2 10 +ATOM 5468 N N2 . DG A 1 16 B -2.563 -2.542 21.071 1.00 0.00 ? 3 DG A N2 10 +ATOM 5469 N N3 . DG A 1 16 B -1.055 -4.224 20.937 1.00 0.00 ? 3 DG A N3 10 +ATOM 5470 C C4 . DG A 1 16 B 0.217 -4.518 20.548 1.00 0.00 ? 3 DG A C4 10 +ATOM 5471 H "H5'" . DG A 1 16 B 1.538 -10.861 19.538 1.00 0.00 ? 3 DG A "H5'" 10 +ATOM 5472 H "H5''" . DG A 1 16 B 2.035 -9.233 19.090 1.00 0.00 ? 3 DG A "H5''" 10 +ATOM 5473 H "H4'" . DG A 1 16 B 0.426 -9.951 21.587 1.00 0.00 ? 3 DG A "H4'" 10 +ATOM 5474 H "H3'" . DG A 1 16 B -0.519 -9.801 18.994 1.00 0.00 ? 3 DG A "H3'" 10 +ATOM 5475 H "H2'" . DG A 1 16 B 0.292 -7.586 18.624 1.00 0.00 ? 3 DG A "H2'" 10 +ATOM 5476 H "H2''" . DG A 1 16 B -1.383 -7.224 19.119 1.00 0.00 ? 3 DG A "H2''" 10 +ATOM 5477 H "H1'" . DG A 1 16 B -0.729 -6.918 21.436 1.00 0.00 ? 3 DG A "H1'" 10 +ATOM 5478 H H8 . DG A 1 16 B 2.699 -6.383 19.691 1.00 0.00 ? 3 DG A H8 10 +ATOM 5479 H H1 . DG A 1 16 B -0.761 -0.996 20.438 1.00 0.00 ? 3 DG A H1 10 +ATOM 5480 H H21 . DG A 1 16 B -2.839 -1.582 20.928 1.00 0.00 ? 3 DG A H21 10 +ATOM 5481 H H22 . DG A 1 16 B -3.216 -3.292 21.216 1.00 0.00 ? 3 DG A H22 10 +ATOM 5482 P P . DG A 1 17 B -3.179 -9.547 19.862 1.00 0.00 ? 4 DG A P 10 +ATOM 5483 O OP1 . DG A 1 17 B -4.108 -10.121 20.858 1.00 0.00 ? 4 DG A OP1 10 +ATOM 5484 O OP2 . DG A 1 17 B -2.916 -10.277 18.604 1.00 0.00 ? 4 DG A OP2 10 +ATOM 5485 O "O5'" . DG A 1 17 B -3.703 -8.069 19.478 1.00 0.00 ? 4 DG A "O5'" 10 +ATOM 5486 C "C5'" . DG A 1 17 B -4.460 -7.287 20.390 1.00 0.00 ? 4 DG A "C5'" 10 +ATOM 5487 C "C4'" . DG A 1 17 B -4.985 -5.982 19.756 1.00 0.00 ? 4 DG A "C4'" 10 +ATOM 5488 O "O4'" . DG A 1 17 B -3.960 -4.990 19.656 1.00 0.00 ? 4 DG A "O4'" 10 +ATOM 5489 C "C3'" . DG A 1 17 B -5.563 -6.182 18.337 1.00 0.00 ? 4 DG A "C3'" 10 +ATOM 5490 O "O3'" . DG A 1 17 B -6.741 -5.403 18.194 1.00 0.00 ? 4 DG A "O3'" 10 +ATOM 5491 C "C2'" . DG A 1 17 B -4.427 -5.602 17.501 1.00 0.00 ? 4 DG A "C2'" 10 +ATOM 5492 C "C1'" . DG A 1 17 B -4.062 -4.407 18.369 1.00 0.00 ? 4 DG A "C1'" 10 +ATOM 5493 N N9 . DG A 1 17 B -2.803 -3.758 17.957 1.00 0.00 ? 4 DG A N9 10 +ATOM 5494 C C8 . DG A 1 17 B -1.575 -4.313 17.719 1.00 0.00 ? 4 DG A C8 10 +ATOM 5495 N N7 . DG A 1 17 B -0.653 -3.453 17.380 1.00 0.00 ? 4 DG A N7 10 +ATOM 5496 C C5 . DG A 1 17 B -1.334 -2.228 17.364 1.00 0.00 ? 4 DG A C5 10 +ATOM 5497 C C6 . DG A 1 17 B -0.923 -0.888 17.039 1.00 0.00 ? 4 DG A C6 10 +ATOM 5498 O O6 . DG A 1 17 B 0.188 -0.477 16.728 1.00 0.00 ? 4 DG A O6 10 +ATOM 5499 N N1 . DG A 1 17 B -1.945 0.044 17.065 1.00 0.00 ? 4 DG A N1 10 +ATOM 5500 C C2 . DG A 1 17 B -3.219 -0.270 17.408 1.00 0.00 ? 4 DG A C2 10 +ATOM 5501 N N2 . DG A 1 17 B -4.115 0.670 17.328 1.00 0.00 ? 4 DG A N2 10 +ATOM 5502 N N3 . DG A 1 17 B -3.637 -1.486 17.726 1.00 0.00 ? 4 DG A N3 10 +ATOM 5503 C C4 . DG A 1 17 B -2.654 -2.424 17.688 1.00 0.00 ? 4 DG A C4 10 +ATOM 5504 H "H5'" . DG A 1 17 B -3.864 -7.049 21.273 1.00 0.00 ? 4 DG A "H5'" 10 +ATOM 5505 H "H5''" . DG A 1 17 B -5.335 -7.860 20.707 1.00 0.00 ? 4 DG A "H5''" 10 +ATOM 5506 H "H4'" . DG A 1 17 B -5.765 -5.606 20.424 1.00 0.00 ? 4 DG A "H4'" 10 +ATOM 5507 H "H3'" . DG A 1 17 B -5.756 -7.233 18.108 1.00 0.00 ? 4 DG A "H3'" 10 +ATOM 5508 H "H2'" . DG A 1 17 B -3.608 -6.320 17.462 1.00 0.00 ? 4 DG A "H2'" 10 +ATOM 5509 H "H2''" . DG A 1 17 B -4.718 -5.340 16.491 1.00 0.00 ? 4 DG A "H2''" 10 +ATOM 5510 H "H1'" . DG A 1 17 B -4.876 -3.679 18.350 1.00 0.00 ? 4 DG A "H1'" 10 +ATOM 5511 H H8 . DG A 1 17 B -1.390 -5.371 17.805 1.00 0.00 ? 4 DG A H8 10 +ATOM 5512 H H1 . DG A 1 17 B -1.689 0.994 16.816 1.00 0.00 ? 4 DG A H1 10 +ATOM 5513 H H21 . DG A 1 17 B -3.869 1.606 17.047 1.00 0.00 ? 4 DG A H21 10 +ATOM 5514 H H22 . DG A 1 17 B -5.060 0.365 17.485 1.00 0.00 ? 4 DG A H22 10 +ATOM 5515 P P . DA A 1 18 B -7.600 -5.372 16.832 1.00 0.00 ? 5 DA A P 10 +ATOM 5516 O OP1 . DA A 1 18 B -9.026 -5.508 17.199 1.00 0.00 ? 5 DA A OP1 10 +ATOM 5517 O OP2 . DA A 1 18 B -6.998 -6.322 15.873 1.00 0.00 ? 5 DA A OP2 10 +ATOM 5518 O "O5'" . DA A 1 18 B -7.369 -3.874 16.265 1.00 0.00 ? 5 DA A "O5'" 10 +ATOM 5519 C "C5'" . DA A 1 18 B -7.964 -2.748 16.896 1.00 0.00 ? 5 DA A "C5'" 10 +ATOM 5520 C "C4'" . DA A 1 18 B -7.828 -1.452 16.070 1.00 0.00 ? 5 DA A "C4'" 10 +ATOM 5521 O "O4'" . DA A 1 18 B -6.477 -1.004 16.016 1.00 0.00 ? 5 DA A "O4'" 10 +ATOM 5522 C "C3'" . DA A 1 18 B -8.333 -1.598 14.621 1.00 0.00 ? 5 DA A "C3'" 10 +ATOM 5523 O "O3'" . DA A 1 18 B -9.095 -0.464 14.247 1.00 0.00 ? 5 DA A "O3'" 10 +ATOM 5524 C "C2'" . DA A 1 18 B -7.026 -1.659 13.856 1.00 0.00 ? 5 DA A "C2'" 10 +ATOM 5525 C "C1'" . DA A 1 18 B -6.153 -0.708 14.671 1.00 0.00 ? 5 DA A "C1'" 10 +ATOM 5526 N N9 . DA A 1 18 B -4.728 -1.010 14.465 1.00 0.00 ? 5 DA A N9 10 +ATOM 5527 C C8 . DA A 1 18 B -4.111 -2.223 14.607 1.00 0.00 ? 5 DA A C8 10 +ATOM 5528 N N7 . DA A 1 18 B -2.829 -2.211 14.370 1.00 0.00 ? 5 DA A N7 10 +ATOM 5529 C C5 . DA A 1 18 B -2.587 -0.872 14.043 1.00 0.00 ? 5 DA A C5 10 +ATOM 5530 C C6 . DA A 1 18 B -1.447 -0.128 13.667 1.00 0.00 ? 5 DA A C6 10 +ATOM 5531 N N6 . DA A 1 18 B -0.241 -0.644 13.554 1.00 0.00 ? 5 DA A N6 10 +ATOM 5532 N N1 . DA A 1 18 B -1.532 1.176 13.381 1.00 0.00 ? 5 DA A N1 10 +ATOM 5533 C C2 . DA A 1 18 B -2.719 1.762 13.494 1.00 0.00 ? 5 DA A C2 10 +ATOM 5534 N N3 . DA A 1 18 B -3.871 1.195 13.837 1.00 0.00 ? 5 DA A N3 10 +ATOM 5535 C C4 . DA A 1 18 B -3.740 -0.134 14.099 1.00 0.00 ? 5 DA A C4 10 +ATOM 5536 H "H5'" . DA A 1 18 B -7.513 -2.595 17.879 1.00 0.00 ? 5 DA A "H5'" 10 +ATOM 5537 H "H5''" . DA A 1 18 B -9.034 -2.925 17.032 1.00 0.00 ? 5 DA A "H5''" 10 +ATOM 5538 H "H4'" . DA A 1 18 B -8.413 -0.683 16.578 1.00 0.00 ? 5 DA A "H4'" 10 +ATOM 5539 H "H3'" . DA A 1 18 B -8.884 -2.526 14.479 1.00 0.00 ? 5 DA A "H3'" 10 +ATOM 5540 H "H2'" . DA A 1 18 B -6.678 -2.690 13.897 1.00 0.00 ? 5 DA A "H2'" 10 +ATOM 5541 H "H2''" . DA A 1 18 B -7.137 -1.367 12.818 1.00 0.00 ? 5 DA A "H2''" 10 +ATOM 5542 H "H1'" . DA A 1 18 B -6.400 0.332 14.445 1.00 0.00 ? 5 DA A "H1'" 10 +ATOM 5543 H H8 . DA A 1 18 B -4.664 -3.108 14.878 1.00 0.00 ? 5 DA A H8 10 +ATOM 5544 H H61 . DA A 1 18 B 0.507 -0.031 13.268 1.00 0.00 ? 5 DA A H61 10 +ATOM 5545 H H62 . DA A 1 18 B -0.095 -1.608 13.798 1.00 0.00 ? 5 DA A H62 10 +ATOM 5546 H H2 . DA A 1 18 B -2.760 2.815 13.266 1.00 0.00 ? 5 DA A H2 10 +ATOM 5547 P P . DT A 1 19 B -9.826 -0.359 12.815 1.00 0.00 ? 6 DT A P 10 +ATOM 5548 O OP1 . DT A 1 19 B -11.191 0.163 13.038 1.00 0.00 ? 6 DT A OP1 10 +ATOM 5549 O OP2 . DT A 1 19 B -9.633 -1.632 12.090 1.00 0.00 ? 6 DT A OP2 10 +ATOM 5550 O "O5'" . DT A 1 19 B -8.970 0.780 12.060 1.00 0.00 ? 6 DT A "O5'" 10 +ATOM 5551 C "C5'" . DT A 1 19 B -9.066 2.141 12.452 1.00 0.00 ? 6 DT A "C5'" 10 +ATOM 5552 C "C4'" . DT A 1 19 B -8.176 3.058 11.595 1.00 0.00 ? 6 DT A "C4'" 10 +ATOM 5553 O "O4'" . DT A 1 19 B -6.802 2.727 11.773 1.00 0.00 ? 6 DT A "O4'" 10 +ATOM 5554 C "C3'" . DT A 1 19 B -8.488 2.998 10.085 1.00 0.00 ? 6 DT A "C3'" 10 +ATOM 5555 O "O3'" . DT A 1 19 B -8.551 4.304 9.541 1.00 0.00 ? 6 DT A "O3'" 10 +ATOM 5556 C "C2'" . DT A 1 19 B -7.276 2.242 9.555 1.00 0.00 ? 6 DT A "C2'" 10 +ATOM 5557 C "C1'" . DT A 1 19 B -6.185 2.726 10.505 1.00 0.00 ? 6 DT A "C1'" 10 +ATOM 5558 N N1 . DT A 1 19 B -5.003 1.826 10.530 1.00 0.00 ? 6 DT A N1 10 +ATOM 5559 C C2 . DT A 1 19 B -3.760 2.374 10.217 1.00 0.00 ? 6 DT A C2 10 +ATOM 5560 O O2 . DT A 1 19 B -3.571 3.547 9.934 1.00 0.00 ? 6 DT A O2 10 +ATOM 5561 N N3 . DT A 1 19 B -2.692 1.517 10.195 1.00 0.00 ? 6 DT A N3 10 +ATOM 5562 C C4 . DT A 1 19 B -2.745 0.167 10.430 1.00 0.00 ? 6 DT A C4 10 +ATOM 5563 O O4 . DT A 1 19 B -1.716 -0.482 10.303 1.00 0.00 ? 6 DT A O4 10 +ATOM 5564 C C5 . DT A 1 19 B -4.058 -0.354 10.805 1.00 0.00 ? 6 DT A C5 10 +ATOM 5565 C C7 . DT A 1 19 B -4.263 -1.845 11.083 1.00 0.00 ? 6 DT A C7 10 +ATOM 5566 C C6 . DT A 1 19 B -5.127 0.486 10.853 1.00 0.00 ? 6 DT A C6 10 +ATOM 5567 H "H5'" . DT A 1 19 B -8.766 2.247 13.497 1.00 0.00 ? 6 DT A "H5'" 10 +ATOM 5568 H "H5''" . DT A 1 19 B -10.098 2.483 12.351 1.00 0.00 ? 6 DT A "H5''" 10 +ATOM 5569 H "H4'" . DT A 1 19 B -8.325 4.079 11.951 1.00 0.00 ? 6 DT A "H4'" 10 +ATOM 5570 H "H3'" . DT A 1 19 B -9.419 2.456 9.896 1.00 0.00 ? 6 DT A "H3'" 10 +ATOM 5571 H "H2'" . DT A 1 19 B -7.474 1.183 9.661 1.00 0.00 ? 6 DT A "H2'" 10 +ATOM 5572 H "H2''" . DT A 1 19 B -7.054 2.463 8.513 1.00 0.00 ? 6 DT A "H2''" 10 +ATOM 5573 H "H1'" . DT A 1 19 B -5.951 3.754 10.234 1.00 0.00 ? 6 DT A "H1'" 10 +ATOM 5574 H H3 . DT A 1 19 B -1.799 1.927 9.947 1.00 0.00 ? 6 DT A H3 10 +ATOM 5575 H H71 . DT A 1 19 B -4.367 -2.380 10.137 1.00 0.00 ? 6 DT A H71 10 +ATOM 5576 H H72 . DT A 1 19 B -3.408 -2.258 11.619 1.00 0.00 ? 6 DT A H72 10 +ATOM 5577 H H73 . DT A 1 19 B -5.157 -2.032 11.680 1.00 0.00 ? 6 DT A H73 10 +ATOM 5578 H H6 . DT A 1 19 B -6.083 0.094 11.169 1.00 0.00 ? 6 DT A H6 10 +ATOM 5579 P P . DC A 1 20 B -8.945 4.565 8.001 1.00 0.00 ? 7 DC A P 10 +ATOM 5580 O OP1 . DC A 1 20 B -9.841 5.740 7.952 1.00 0.00 ? 7 DC A OP1 10 +ATOM 5581 O OP2 . DC A 1 20 B -9.374 3.285 7.399 1.00 0.00 ? 7 DC A OP2 10 +ATOM 5582 O "O5'" . DC A 1 20 B -7.537 4.980 7.337 1.00 0.00 ? 7 DC A "O5'" 10 +ATOM 5583 C "C5'" . DC A 1 20 B -6.954 6.246 7.602 1.00 0.00 ? 7 DC A "C5'" 10 +ATOM 5584 C "C4'" . DC A 1 20 B -5.613 6.431 6.872 1.00 0.00 ? 7 DC A "C4'" 10 +ATOM 5585 O "O4'" . DC A 1 20 B -4.647 5.503 7.359 1.00 0.00 ? 7 DC A "O4'" 10 +ATOM 5586 C "C3'" . DC A 1 20 B -5.707 6.253 5.341 1.00 0.00 ? 7 DC A "C3'" 10 +ATOM 5587 O "O3'" . DC A 1 20 B -4.974 7.277 4.694 1.00 0.00 ? 7 DC A "O3'" 10 +ATOM 5588 C "C2'" . DC A 1 20 B -5.020 4.905 5.163 1.00 0.00 ? 7 DC A "C2'" 10 +ATOM 5589 C "C1'" . DC A 1 20 B -3.950 4.989 6.248 1.00 0.00 ? 7 DC A "C1'" 10 +ATOM 5590 N N1 . DC A 1 20 B -3.398 3.651 6.568 1.00 0.00 ? 7 DC A N1 10 +ATOM 5591 C C2 . DC A 1 20 B -2.032 3.433 6.412 1.00 0.00 ? 7 DC A C2 10 +ATOM 5592 O O2 . DC A 1 20 B -1.271 4.339 6.102 1.00 0.00 ? 7 DC A O2 10 +ATOM 5593 N N3 . DC A 1 20 B -1.508 2.193 6.580 1.00 0.00 ? 7 DC A N3 10 +ATOM 5594 C C4 . DC A 1 20 B -2.313 1.216 6.955 1.00 0.00 ? 7 DC A C4 10 +ATOM 5595 N N4 . DC A 1 20 B -1.756 0.049 7.103 1.00 0.00 ? 7 DC A N4 10 +ATOM 5596 C C5 . DC A 1 20 B -3.714 1.379 7.151 1.00 0.00 ? 7 DC A C5 10 +ATOM 5597 C C6 . DC A 1 20 B -4.217 2.620 6.955 1.00 0.00 ? 7 DC A C6 10 +ATOM 5598 H "H5'" . DC A 1 20 B -6.783 6.361 8.675 1.00 0.00 ? 7 DC A "H5'" 10 +ATOM 5599 H "H5''" . DC A 1 20 B -7.629 7.039 7.272 1.00 0.00 ? 7 DC A "H5''" 10 +ATOM 5600 H "H4'" . DC A 1 20 B -5.257 7.438 7.097 1.00 0.00 ? 7 DC A "H4'" 10 +ATOM 5601 H "H3'" . DC A 1 20 B -6.745 6.236 4.998 1.00 0.00 ? 7 DC A "H3'" 10 +ATOM 5602 H "H2'" . DC A 1 20 B -5.752 4.123 5.366 1.00 0.00 ? 7 DC A "H2'" 10 +ATOM 5603 H "H2''" . DC A 1 20 B -4.603 4.758 4.170 1.00 0.00 ? 7 DC A "H2''" 10 +ATOM 5604 H "H1'" . DC A 1 20 B -3.197 5.724 5.953 1.00 0.00 ? 7 DC A "H1'" 10 +ATOM 5605 H H41 . DC A 1 20 B -0.764 0.044 6.920 1.00 0.00 ? 7 DC A H41 10 +ATOM 5606 H H42 . DC A 1 20 B -2.270 -0.742 7.438 1.00 0.00 ? 7 DC A H42 10 +ATOM 5607 H H5 . DC A 1 20 B -4.368 0.574 7.442 1.00 0.00 ? 7 DC A H5 10 +ATOM 5608 H H6 . DC A 1 20 B -5.274 2.800 7.102 1.00 0.00 ? 7 DC A H6 10 +ATOM 5609 P P . DC A 1 21 B -4.934 7.425 3.091 1.00 0.00 ? 8 DC A P 10 +ATOM 5610 O OP1 . DC A 1 21 B -5.253 8.828 2.754 1.00 0.00 ? 8 DC A OP1 10 +ATOM 5611 O OP2 . DC A 1 21 B -5.715 6.324 2.490 1.00 0.00 ? 8 DC A OP2 10 +ATOM 5612 O "O5'" . DC A 1 21 B -3.378 7.168 2.760 1.00 0.00 ? 8 DC A "O5'" 10 +ATOM 5613 C "C5'" . DC A 1 21 B -2.384 8.096 3.165 1.00 0.00 ? 8 DC A "C5'" 10 +ATOM 5614 C "C4'" . DC A 1 21 B -0.973 7.672 2.720 1.00 0.00 ? 8 DC A "C4'" 10 +ATOM 5615 O "O4'" . DC A 1 21 B -0.594 6.445 3.340 1.00 0.00 ? 8 DC A "O4'" 10 +ATOM 5616 C "C3'" . DC A 1 21 B -0.837 7.501 1.196 1.00 0.00 ? 8 DC A "C3'" 10 +ATOM 5617 O "O3'" . DC A 1 21 B 0.377 8.078 0.744 1.00 0.00 ? 8 DC A "O3'" 10 +ATOM 5618 C "C2'" . DC A 1 21 B -0.828 5.992 1.067 1.00 0.00 ? 8 DC A "C2'" 10 +ATOM 5619 C "C1'" . DC A 1 21 B -0.131 5.551 2.346 1.00 0.00 ? 8 DC A "C1'" 10 +ATOM 5620 N N1 . DC A 1 21 B -0.538 4.170 2.700 1.00 0.00 ? 8 DC A N1 10 +ATOM 5621 C C2 . DC A 1 21 B 0.400 3.145 2.624 1.00 0.00 ? 8 DC A C2 10 +ATOM 5622 O O2 . DC A 1 21 B 1.551 3.347 2.262 1.00 0.00 ? 8 DC A O2 10 +ATOM 5623 N N3 . DC A 1 21 B 0.058 1.874 2.955 1.00 0.00 ? 8 DC A N3 10 +ATOM 5624 C C4 . DC A 1 21 B -1.179 1.637 3.356 1.00 0.00 ? 8 DC A C4 10 +ATOM 5625 N N4 . DC A 1 21 B -1.448 0.407 3.683 1.00 0.00 ? 8 DC A N4 10 +ATOM 5626 C C5 . DC A 1 21 B -2.197 2.630 3.406 1.00 0.00 ? 8 DC A C5 10 +ATOM 5627 C C6 . DC A 1 21 B -1.830 3.890 3.073 1.00 0.00 ? 8 DC A C6 10 +ATOM 5628 H "H5'" . DC A 1 21 B -2.388 8.192 4.253 1.00 0.00 ? 8 DC A "H5'" 10 +ATOM 5629 H "H5''" . DC A 1 21 B -2.594 9.076 2.731 1.00 0.00 ? 8 DC A "H5''" 10 +ATOM 5630 H "H4'" . DC A 1 21 B -0.283 8.448 3.057 1.00 0.00 ? 8 DC A "H4'" 10 +ATOM 5631 H "H3'" . DC A 1 21 B -1.696 7.894 0.652 1.00 0.00 ? 8 DC A "H3'" 10 +ATOM 5632 H "H2'" . DC A 1 21 B -1.860 5.642 1.017 1.00 0.00 ? 8 DC A "H2'" 10 +ATOM 5633 H "H2''" . DC A 1 21 B -0.286 5.685 0.186 1.00 0.00 ? 8 DC A "H2''" 10 +ATOM 5634 H "H1'" . DC A 1 21 B 0.948 5.693 2.245 1.00 0.00 ? 8 DC A "H1'" 10 +ATOM 5635 H H41 . DC A 1 21 B -0.659 -0.215 3.610 1.00 0.00 ? 8 DC A H41 10 +ATOM 5636 H H42 . DC A 1 21 B -2.352 0.139 4.017 1.00 0.00 ? 8 DC A H42 10 +ATOM 5637 H H5 . DC A 1 21 B -3.207 2.417 3.717 1.00 0.00 ? 8 DC A H5 10 +ATOM 5638 H H6 . DC A 1 21 B -2.563 4.686 3.098 1.00 0.00 ? 8 DC A H6 10 +ATOM 5639 P P . DT A 1 22 B 0.696 8.275 -0.823 1.00 0.00 ? 9 DT A P 10 +ATOM 5640 O OP1 . DT A 1 22 B 1.705 9.347 -0.954 1.00 0.00 ? 9 DT A OP1 10 +ATOM 5641 O OP2 . DT A 1 22 B -0.585 8.379 -1.553 1.00 0.00 ? 9 DT A OP2 10 +ATOM 5642 O "O5'" . DT A 1 22 B 1.391 6.887 -1.241 1.00 0.00 ? 9 DT A "O5'" 10 +ATOM 5643 C "C5'" . DT A 1 22 B 2.741 6.609 -0.907 1.00 0.00 ? 9 DT A "C5'" 10 +ATOM 5644 C "C4'" . DT A 1 22 B 3.131 5.183 -1.325 1.00 0.00 ? 9 DT A "C4'" 10 +ATOM 5645 O "O4'" . DT A 1 22 B 2.404 4.208 -0.596 1.00 0.00 ? 9 DT A "O4'" 10 +ATOM 5646 C "C3'" . DT A 1 22 B 2.868 4.870 -2.808 1.00 0.00 ? 9 DT A "C3'" 10 +ATOM 5647 O "O3'" . DT A 1 22 B 4.063 4.916 -3.561 1.00 0.00 ? 9 DT A "O3'" 10 +ATOM 5648 C "C2'" . DT A 1 22 B 2.343 3.432 -2.790 1.00 0.00 ? 9 DT A "C2'" 10 +ATOM 5649 C "C1'" . DT A 1 22 B 2.502 3.011 -1.330 1.00 0.00 ? 9 DT A "C1'" 10 +ATOM 5650 N N1 . DT A 1 22 B 1.447 2.064 -0.897 1.00 0.00 ? 9 DT A N1 10 +ATOM 5651 C C2 . DT A 1 22 B 1.840 0.788 -0.509 1.00 0.00 ? 9 DT A C2 10 +ATOM 5652 O O2 . DT A 1 22 B 2.980 0.358 -0.602 1.00 0.00 ? 9 DT A O2 10 +ATOM 5653 N N3 . DT A 1 22 B 0.863 -0.035 -0.024 1.00 0.00 ? 9 DT A N3 10 +ATOM 5654 C C4 . DT A 1 22 B -0.459 0.284 0.135 1.00 0.00 ? 9 DT A C4 10 +ATOM 5655 O O4 . DT A 1 22 B -1.193 -0.567 0.622 1.00 0.00 ? 9 DT A O4 10 +ATOM 5656 C C5 . DT A 1 22 B -0.835 1.617 -0.352 1.00 0.00 ? 9 DT A C5 10 +ATOM 5657 C C7 . DT A 1 22 B -2.279 2.116 -0.329 1.00 0.00 ? 9 DT A C7 10 +ATOM 5658 C C6 . DT A 1 22 B 0.121 2.445 -0.851 1.00 0.00 ? 9 DT A C6 10 +ATOM 5659 H "H5'" . DT A 1 22 B 2.894 6.710 0.170 1.00 0.00 ? 9 DT A "H5'" 10 +ATOM 5660 H "H5''" . DT A 1 22 B 3.399 7.312 -1.423 1.00 0.00 ? 9 DT A "H5''" 10 +ATOM 5661 H "H4'" . DT A 1 22 B 4.192 5.040 -1.107 1.00 0.00 ? 9 DT A "H4'" 10 +ATOM 5662 H "H3'" . DT A 1 22 B 2.128 5.540 -3.250 1.00 0.00 ? 9 DT A "H3'" 10 +ATOM 5663 H "H2'" . DT A 1 22 B 1.297 3.449 -3.092 1.00 0.00 ? 9 DT A "H2'" 10 +ATOM 5664 H "H2''" . DT A 1 22 B 2.892 2.764 -3.450 1.00 0.00 ? 9 DT A "H2''" 10 +ATOM 5665 H "H1'" . DT A 1 22 B 3.516 2.629 -1.186 1.00 0.00 ? 9 DT A "H1'" 10 +ATOM 5666 H H3 . DT A 1 22 B 1.144 -0.974 0.221 1.00 0.00 ? 9 DT A H3 10 +ATOM 5667 H H71 . DT A 1 22 B -2.641 2.259 -1.349 1.00 0.00 ? 9 DT A H71 10 +ATOM 5668 H H72 . DT A 1 22 B -2.934 1.404 0.171 1.00 0.00 ? 9 DT A H72 10 +ATOM 5669 H H73 . DT A 1 22 B -2.344 3.067 0.202 1.00 0.00 ? 9 DT A H73 10 +ATOM 5670 H H6 . DT A 1 22 B -0.163 3.413 -1.245 1.00 0.00 ? 9 DT A H6 10 +# diff --git a/lib/io/data/1wav.pdb b/lib/io/data/1wav.pdb new file mode 100644 index 000000000..911dbe3d5 --- /dev/null +++ b/lib/io/data/1wav.pdb @@ -0,0 +1,3407 @@ +HEADER HORMONE 28-FEB-96 1WAV +TITLE CRYSTAL STRUCTURE OF FORM B MONOCLINIC CRYSTAL OF INSULIN +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: INSULIN; +COMPND 3 CHAIN: A, C, E, G, I, K; +COMPND 4 MOL_ID: 2; +COMPND 5 MOLECULE: INSULIN; +COMPND 6 CHAIN: B, D, F, H, J, L +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; +SOURCE 3 ORGANISM_COMMON: PIG; +SOURCE 4 ORGANISM_TAXID: 9823; +SOURCE 5 TISSUE: PANCREAS; +SOURCE 6 MOL_ID: 2; +SOURCE 7 ORGANISM_SCIENTIFIC: SUS SCROFA; +SOURCE 8 ORGANISM_COMMON: PIG; +SOURCE 9 ORGANISM_TAXID: 9823; +SOURCE 10 TISSUE: PANCREAS +KEYWDS HORMONE, INSULIN, PHENOL +EXPDTA X-RAY DIFFRACTION +AUTHOR D.-C.LIANG,J.-H.DING,W.-R.CHANG,Z.-L.WAN +REVDAT 3 05-JUN-24 1WAV 1 REMARK LINK +REVDAT 2 24-FEB-09 1WAV 1 VERSN +REVDAT 1 28-FEB-97 1WAV 0 +JRNL AUTH J.DING,Z.WAN,W.CHANG,D.LIANG +JRNL TITL MOLECULAR REPLACEMENT STUDY ON FORM-B MONOCLINIC CRYSTAL OF +JRNL TITL 2 INSULIN. +JRNL REF SCI.CHINA, SER.C: LIFE SCI. V. 39 144 1996 +JRNL REFN ISSN 1006-9305 +JRNL PMID 8760462 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH D.-C.LIANG,L.-Z.SONG,Z.-L.WAN,W.-R.CHANG +REMARK 1 TITL PHASE RELATIONSHIP IN PHENOL-INSULIN CRYSTAL GROWTH SYSTEM +REMARK 1 REF SCI.CHINA,SER.B V. 37 948 1994 +REMARK 1 REFN ISSN 1001-652X +REMARK 1 REFERENCE 2 +REMARK 1 AUTH L.-Z.SONG,Z.-L.WAN,W.-R.CHANG,D.-C.LIANG +REMARK 1 TITL PRELIMINARY CRYSTALLOGRAPHIC STUDIES ON A NEW MONOCLINIC +REMARK 1 TITL 2 CRYSTAL FORM OF PHENOL-INSULIN +REMARK 1 REF CHIN.SCI.BULL. V. 38 1480 1993 +REMARK 1 REFN ISSN 1001-6538 +REMARK 1 REFERENCE 3 +REMARK 1 AUTH M.LI,D.C.WANG,D.C.LIANG +REMARK 1 TITL CRYSTAL STRUCTURE DETERMINATION OF 4-ZINC BOVINE INSULIN AT +REMARK 1 TITL 2 1.9 A RESOLUTION +REMARK 1 REF SCI.CHINA,SER.B V. 32 1308 1989 +REMARK 1 REFN ISSN 1001-652X +REMARK 2 +REMARK 2 RESOLUTION. 2.50 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR 3.1 +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 92.0 +REMARK 3 NUMBER OF REFLECTIONS : 11285 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : NULL +REMARK 3 R VALUE (WORKING SET) : 0.206 +REMARK 3 FREE R VALUE : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 2418 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 44 +REMARK 3 SOLVENT ATOMS : 112 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM C-V SIGMAA (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.020 +REMARK 3 BOND ANGLES (DEGREES) : 3.858 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL +REMARK 3 IMPROPER ANGLES (DEGREES) : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : NULL +REMARK 3 TOPOLOGY FILE 1 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1WAV COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 100 THE DEPOSITION ID IS D_1000177170. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : MAY-94 +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : PHOTON FACTORY +REMARK 200 BEAMLINE : BL-6A +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : NULL +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : WEIS +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11200 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.500 +REMARK 200 RESOLUTION RANGE LOW (A) : 10.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 91.0 +REMARK 200 DATA REDUNDANCY : 4.000 +REMARK 200 R MERGE (I) : 0.06250 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL +REMARK 200 SOFTWARE USED: X-PLOR 3.1 +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 45.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.07 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 30.47000 +REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1330 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 4200 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -14.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1300 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 4140 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -15.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 3 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1200 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 4120 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -13.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 4 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1230 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 4250 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -10.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: G, H +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 5 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1210 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 4170 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -11.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: I, J +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 6 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1080 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 4410 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -12.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: K, L +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 7 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DODECAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 19320 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 13510 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -206.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D, E, F, G, H, I, J, +REMARK 350 AND CHAINS: K, L +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 8 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 5740 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 10580 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -93.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, E, F, I, J +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 9 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 5520 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 11000 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -91.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D, G, H, K, L +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 10 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 4030 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 6950 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -36.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 11 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 4150 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 6650 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -31.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: E, F, G, H +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 12 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 3940 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 6930 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -30.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: I, J, K, L +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION +REMARK 500 HIS B 5 NE2 HIS B 5 CD2 -0.069 +REMARK 500 HIS B 10 NE2 HIS B 10 CD2 -0.073 +REMARK 500 HIS D 10 NE2 HIS D 10 CD2 -0.072 +REMARK 500 HIS F 5 NE2 HIS F 5 CD2 -0.067 +REMARK 500 HIS F 10 NE2 HIS F 10 CD2 -0.086 +REMARK 500 HIS H 5 NE2 HIS H 5 CD2 -0.075 +REMARK 500 HIS H 10 NE2 HIS H 10 CD2 -0.082 +REMARK 500 HIS J 5 NE2 HIS J 5 CD2 -0.082 +REMARK 500 HIS L 10 NE2 HIS L 10 CD2 -0.082 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 CYS A 11 CA - C - N ANGL. DEV. = -18.8 DEGREES +REMARK 500 VAL B 2 N - CA - C ANGL. DEV. = 18.8 DEGREES +REMARK 500 VAL B 12 CA - CB - CG2 ANGL. DEV. = -9.8 DEGREES +REMARK 500 TYR B 16 CB - CG - CD2 ANGL. DEV. = -3.6 DEGREES +REMARK 500 LEU B 17 CA - CB - CG ANGL. DEV. = 15.7 DEGREES +REMARK 500 VAL C 3 CA - C - N ANGL. DEV. = 18.3 DEGREES +REMARK 500 CYS C 20 CA - CB - SG ANGL. DEV. = 7.6 DEGREES +REMARK 500 GLN D 4 CA - CB - CG ANGL. DEV. = 15.3 DEGREES +REMARK 500 SER D 9 N - CA - CB ANGL. DEV. = -9.3 DEGREES +REMARK 500 GLU D 13 CA - CB - CG ANGL. DEV. = 13.4 DEGREES +REMARK 500 LEU D 17 CB - CA - C ANGL. DEV. = -11.7 DEGREES +REMARK 500 LEU D 17 CA - CB - CG ANGL. DEV. = 16.4 DEGREES +REMARK 500 LEU D 17 CB - CG - CD1 ANGL. DEV. = -12.1 DEGREES +REMARK 500 VAL D 18 CG1 - CB - CG2 ANGL. DEV. = -13.1 DEGREES +REMARK 500 ARG D 22 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES +REMARK 500 ARG D 22 NE - CZ - NH2 ANGL. DEV. = -3.8 DEGREES +REMARK 500 THR E 8 CA - CB - CG2 ANGL. DEV. = 9.0 DEGREES +REMARK 500 PHE F 1 CA - C - N ANGL. DEV. = 13.9 DEGREES +REMARK 500 VAL F 12 N - CA - CB ANGL. DEV. = -14.0 DEGREES +REMARK 500 GLU F 13 CA - CB - CG ANGL. DEV. = 16.0 DEGREES +REMARK 500 TYR F 26 CB - CG - CD1 ANGL. DEV. = -3.7 DEGREES +REMARK 500 PRO F 28 N - CA - C ANGL. DEV. = 18.4 DEGREES +REMARK 500 LYS F 29 O - C - N ANGL. DEV. = 10.2 DEGREES +REMARK 500 CYS G 7 CA - CB - SG ANGL. DEV. = -10.8 DEGREES +REMARK 500 HIS H 10 CA - C - N ANGL. DEV. = 15.6 DEGREES +REMARK 500 TYR H 16 CB - CG - CD1 ANGL. DEV. = -4.2 DEGREES +REMARK 500 GLU H 21 CA - CB - CG ANGL. DEV. = 13.3 DEGREES +REMARK 500 ARG H 22 NE - CZ - NH2 ANGL. DEV. = -4.7 DEGREES +REMARK 500 TYR H 26 CB - CG - CD1 ANGL. DEV. = -5.4 DEGREES +REMARK 500 VAL I 3 CA - C - N ANGL. DEV. = -13.4 DEGREES +REMARK 500 TYR I 19 CB - CG - CD2 ANGL. DEV. = -5.4 DEGREES +REMARK 500 TYR I 19 CB - CG - CD1 ANGL. DEV. = 3.8 DEGREES +REMARK 500 GLU J 13 CA - CB - CG ANGL. DEV. = 19.2 DEGREES +REMARK 500 TYR K 14 CA - CB - CG ANGL. DEV. = 15.7 DEGREES +REMARK 500 TYR L 16 CB - CG - CD1 ANGL. DEV. = -4.0 DEGREES +REMARK 500 ARG L 22 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES +REMARK 500 ARG L 22 CA - C - N ANGL. DEV. = 15.8 DEGREES +REMARK 500 ARG L 22 O - C - N ANGL. DEV. = -10.3 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 TYR A 19 48.85 -100.73 +REMARK 500 LYS B 29 -166.35 -57.73 +REMARK 500 THR C 8 -71.80 -133.05 +REMARK 500 GLU C 17 -8.93 -55.81 +REMARK 500 CYS C 20 -155.15 -151.26 +REMARK 500 CYS D 19 0.08 -69.45 +REMARK 500 THR D 27 97.71 -56.59 +REMARK 500 PRO D 28 -164.61 -58.02 +REMARK 500 PRO F 28 -158.47 -57.81 +REMARK 500 CYS G 7 1.79 -61.00 +REMARK 500 PRO H 28 3.48 -68.74 +REMARK 500 LYS H 29 76.45 -117.72 +REMARK 500 ILE I 2 -78.35 -174.24 +REMARK 500 VAL I 3 -50.43 -16.83 +REMARK 500 GLN I 5 -67.66 -94.59 +REMARK 500 ASN I 18 6.86 -64.09 +REMARK 500 CYS I 20 -153.43 -71.88 +REMARK 500 VAL J 2 37.19 -79.90 +REMARK 500 GLU J 21 -35.83 -37.98 +REMARK 500 GLN K 5 -70.04 -103.43 +REMARK 500 ASN K 18 48.67 -97.95 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS +REMARK 500 +REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH +REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED +REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND +REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. +REMARK 500 MODEL OMEGA +REMARK 500 THR D 27 PRO D 28 -149.04 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: PLANAR GROUPS +REMARK 500 +REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL +REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE +REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN +REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS +REMARK 500 AN RMSD GREATER THAN THIS VALUE +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI RMS TYPE +REMARK 500 TYR G 14 0.08 SIDE CHAIN +REMARK 500 TYR G 19 0.08 SIDE CHAIN +REMARK 500 TYR K 14 0.07 SIDE CHAIN +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY +REMARK 500 +REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY +REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER +REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; +REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 500 I=INSERTION CODE). +REMARK 500 +REMARK 500 M RES CSSEQI ANGLE +REMARK 500 ILE I 2 -16.89 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN B 31 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS B 10 NE2 +REMARK 620 2 HIS F 10 NE2 80.7 +REMARK 620 3 HOH F 118 O 129.2 111.2 +REMARK 620 4 HIS J 10 NE2 82.9 85.0 144.9 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 ZN D 31 ZN +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS D 10 NE2 +REMARK 620 2 HOH L 119 O 144.7 +REMARK 620 N 1 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN B 31 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN D 31 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH A 22 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH C 22 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH F 31 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH G 22 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH J 31 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH H 31 +DBREF 1WAV A 1 21 UNP P01315 INS_PIG 88 108 +DBREF 1WAV B 1 30 UNP P01315 INS_PIG 25 54 +DBREF 1WAV C 1 21 UNP P01315 INS_PIG 88 108 +DBREF 1WAV D 1 30 UNP P01315 INS_PIG 25 54 +DBREF 1WAV E 1 21 UNP P01315 INS_PIG 88 108 +DBREF 1WAV F 1 30 UNP P01315 INS_PIG 25 54 +DBREF 1WAV G 1 21 UNP P01315 INS_PIG 88 108 +DBREF 1WAV H 1 30 UNP P01315 INS_PIG 25 54 +DBREF 1WAV I 1 21 UNP P01315 INS_PIG 88 108 +DBREF 1WAV J 1 30 UNP P01315 INS_PIG 25 54 +DBREF 1WAV K 1 21 UNP P01315 INS_PIG 88 108 +DBREF 1WAV L 1 30 UNP P01315 INS_PIG 25 54 +SEQRES 1 A 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU +SEQRES 2 A 21 TYR GLN LEU GLU ASN TYR CYS ASN +SEQRES 1 B 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU +SEQRES 2 B 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR +SEQRES 3 B 30 THR PRO LYS ALA +SEQRES 1 C 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU +SEQRES 2 C 21 TYR GLN LEU GLU ASN TYR CYS ASN +SEQRES 1 D 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU +SEQRES 2 D 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR +SEQRES 3 D 30 THR PRO LYS ALA +SEQRES 1 E 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU +SEQRES 2 E 21 TYR GLN LEU GLU ASN TYR CYS ASN +SEQRES 1 F 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU +SEQRES 2 F 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR +SEQRES 3 F 30 THR PRO LYS ALA +SEQRES 1 G 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU +SEQRES 2 G 21 TYR GLN LEU GLU ASN TYR CYS ASN +SEQRES 1 H 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU +SEQRES 2 H 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR +SEQRES 3 H 30 THR PRO LYS ALA +SEQRES 1 I 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU +SEQRES 2 I 21 TYR GLN LEU GLU ASN TYR CYS ASN +SEQRES 1 J 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU +SEQRES 2 J 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR +SEQRES 3 J 30 THR PRO LYS ALA +SEQRES 1 K 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU +SEQRES 2 K 21 TYR GLN LEU GLU ASN TYR CYS ASN +SEQRES 1 L 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU +SEQRES 2 L 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR +SEQRES 3 L 30 THR PRO LYS ALA +HET IPH A 22 7 +HET ZN B 31 1 +HET IPH C 22 7 +HET ZN D 31 1 +HET IPH F 31 7 +HET IPH G 22 7 +HET IPH H 31 7 +HET IPH J 31 7 +HETNAM IPH PHENOL +HETNAM ZN ZINC ION +FORMUL 13 IPH 6(C6 H6 O) +FORMUL 14 ZN 2(ZN 2+) +FORMUL 21 HOH *112(H2 O) +HELIX 1 1 VAL A 3 THR A 8 1 6 +HELIX 2 2 LEU A 13 LEU A 16 1 4 +HELIX 3 3 VAL B 2 ARG B 22 1 21 +HELIX 4 4 ILE C 2 CYS C 6 1 5 +HELIX 5 5 LEU C 13 ASN C 18 1 6 +HELIX 6 6 GLN D 4 VAL D 18 1 15 +HELIX 7 7 ILE E 2 CYS E 6 1 5 +HELIX 8 8 LEU E 13 TYR E 19 1 7 +HELIX 9 9 VAL F 2 CYS F 19 1 18 +HELIX 10 10 ILE G 2 CYS G 7 1 6 +HELIX 11 11 LEU G 13 TYR G 19 1 7 +HELIX 12 12 VAL H 2 ARG H 22 1 21 +HELIX 13 13 LEU I 13 TYR I 19 1 7 +HELIX 14 14 ASN J 3 CYS J 19 1 17 +HELIX 15 15 ILE K 2 CYS K 6 1 5 +HELIX 16 16 LEU K 13 TYR K 19 1 7 +HELIX 17 17 VAL L 2 CYS L 19 1 18 +SHEET 1 A 2 PHE B 24 TYR B 26 0 +SHEET 2 A 2 PHE D 24 TYR D 26 -1 N TYR D 26 O PHE B 24 +SHEET 1 B 2 PHE F 24 TYR F 26 0 +SHEET 2 B 2 PHE H 24 TYR H 26 -1 N TYR H 26 O PHE F 24 +SHEET 1 C 2 PHE J 24 TYR J 26 0 +SHEET 2 C 2 PHE L 24 TYR L 26 -1 N TYR L 26 O PHE J 24 +SSBOND 1 CYS A 6 CYS A 11 1555 1555 2.04 +SSBOND 2 CYS A 7 CYS B 7 1555 1555 2.03 +SSBOND 3 CYS A 20 CYS B 19 1555 1555 1.94 +SSBOND 4 CYS C 6 CYS C 11 1555 1555 2.01 +SSBOND 5 CYS C 7 CYS D 7 1555 1555 2.00 +SSBOND 6 CYS C 20 CYS D 19 1555 1555 2.02 +SSBOND 7 CYS E 6 CYS E 11 1555 1555 2.01 +SSBOND 8 CYS E 7 CYS F 7 1555 1555 2.01 +SSBOND 9 CYS E 20 CYS F 19 1555 1555 2.01 +SSBOND 10 CYS G 6 CYS G 11 1555 1555 2.02 +SSBOND 11 CYS G 7 CYS H 7 1555 1555 2.03 +SSBOND 12 CYS G 20 CYS H 19 1555 1555 2.00 +SSBOND 13 CYS I 6 CYS I 11 1555 1555 2.00 +SSBOND 14 CYS I 7 CYS J 7 1555 1555 1.99 +SSBOND 15 CYS I 20 CYS J 19 1555 1555 2.01 +SSBOND 16 CYS K 6 CYS K 11 1555 1555 2.01 +SSBOND 17 CYS K 7 CYS L 7 1555 1555 2.03 +SSBOND 18 CYS K 20 CYS L 19 1555 1555 2.02 +LINK NE2 HIS B 10 ZN ZN B 31 1555 1555 2.60 +LINK ZN ZN B 31 NE2 HIS F 10 1555 1555 2.76 +LINK ZN ZN B 31 O HOH F 118 1555 1555 1.58 +LINK ZN ZN B 31 NE2 HIS J 10 1555 1555 2.51 +LINK NE2 HIS D 10 ZN ZN D 31 1555 1555 2.61 +LINK ZN ZN D 31 O HOH L 119 1555 1555 1.51 +SITE 1 AC1 4 HIS B 10 HIS F 10 HOH F 118 HIS J 10 +SITE 1 AC2 5 LEU D 6 HIS D 10 HIS H 10 HIS L 10 +SITE 2 AC2 5 HOH L 119 +SITE 1 AC3 4 CYS A 6 CYS A 11 LEU B 11 ALA B 14 +SITE 1 AC4 3 CYS C 6 CYS C 11 LEU C 16 +SITE 1 AC5 6 CYS E 6 ILE E 10 CYS E 11 HIS F 10 +SITE 2 AC5 6 LEU F 11 ALA F 14 +SITE 1 AC6 4 CYS G 6 SER G 9 ILE G 10 CYS G 11 +SITE 1 AC7 6 HIS B 5 LEU D 17 CYS I 11 HIS J 10 +SITE 2 AC7 6 LEU J 11 ALA J 14 +SITE 1 AC8 8 LEU F 17 VAL H 2 HIS H 5 CYS K 6 +SITE 2 AC8 8 ILE K 10 CYS K 11 HIS L 10 ALA L 14 +CRYST1 49.240 60.940 48.180 90.00 95.80 90.00 P 1 21 1 12 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.020309 0.000000 0.002063 0.00000 +SCALE2 0.000000 0.016410 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.020862 0.00000 +MTRIX1 1 -0.042378 0.894002 -0.446055 16.62930 1 +MTRIX2 1 0.282521 0.438957 0.852935 -14.77004 1 +MTRIX3 1 0.958325 -0.089875 -0.271176 7.59824 1 +MTRIX1 2 -0.111306 0.210137 0.971315 -2.48977 1 +MTRIX2 2 0.870401 0.492297 -0.006763 -9.23689 1 +MTRIX3 2 -0.479597 0.844681 -0.237699 19.97110 1 +MTRIX1 3 -0.073613 0.910422 -0.407080 15.65510 1 +MTRIX2 3 0.076187 0.412128 0.907935 -15.77083 1 +MTRIX3 3 0.994372 0.035821 -0.099700 4.70136 1 +MTRIX1 4 -0.103506 0.446346 0.888854 -1.16102 1 +MTRIX2 4 0.959385 0.280588 -0.029181 -7.95210 1 +MTRIX3 4 -0.262427 0.849732 -0.457260 23.93507 1 +MTRIX1 5 -0.091159 0.804272 -0.587228 21.85742 1 +MTRIX2 5 0.328155 0.581008 0.744811 -12.05360 1 +MTRIX3 5 0.940215 -0.124806 -0.316890 7.97467 1 +MTRIX1 6 -0.098254 0.513685 0.852334 -0.01082 1 +MTRIX2 6 0.905666 0.401129 -0.137350 -6.10795 1 +MTRIX3 6 -0.412451 0.758435 -0.504640 26.95847 1 +MTRIX1 7 -0.227240 0.933342 -0.277911 13.37659 1 +MTRIX2 7 0.425039 0.351817 0.834006 -13.83310 1 +MTRIX3 7 0.876187 0.071397 -0.476654 11.09769 1 +MTRIX1 8 0.157726 0.227914 0.960821 -2.60638 1 +MTRIX2 8 0.860769 0.445112 -0.246886 -4.08920 1 +MTRIX3 8 -0.483941 0.865986 -0.125976 17.17687 1 +ATOM 1 N GLY A 1 -12.293 -4.329 18.285 1.00 40.30 N +ATOM 2 CA GLY A 1 -12.613 -3.045 17.707 1.00 39.66 C +ATOM 3 C GLY A 1 -11.671 -2.738 16.536 1.00 40.34 C +ATOM 4 O GLY A 1 -12.045 -2.629 15.343 1.00 37.59 O +ATOM 5 N ILE A 2 -10.395 -2.870 16.948 1.00 37.32 N +ATOM 6 CA ILE A 2 -9.298 -2.378 16.165 1.00 36.56 C +ATOM 7 C ILE A 2 -8.948 -3.370 15.070 1.00 37.77 C +ATOM 8 O ILE A 2 -9.265 -3.186 13.890 1.00 36.12 O +ATOM 9 CB ILE A 2 -8.228 -2.051 17.250 1.00 34.88 C +ATOM 10 CG1 ILE A 2 -7.841 -0.610 17.130 1.00 31.55 C +ATOM 11 CG2 ILE A 2 -7.005 -2.929 17.118 1.00 33.31 C +ATOM 12 CD1 ILE A 2 -8.277 0.199 18.399 1.00 34.26 C +ATOM 13 N VAL A 3 -8.529 -4.528 15.564 1.00 39.28 N +ATOM 14 CA VAL A 3 -7.866 -5.531 14.772 1.00 40.80 C +ATOM 15 C VAL A 3 -8.735 -6.131 13.708 1.00 38.55 C +ATOM 16 O VAL A 3 -8.190 -6.308 12.636 1.00 39.58 O +ATOM 17 CB VAL A 3 -7.296 -6.670 15.718 1.00 41.49 C +ATOM 18 CG1 VAL A 3 -8.449 -7.368 16.444 1.00 43.28 C +ATOM 19 CG2 VAL A 3 -6.576 -7.764 14.925 1.00 43.25 C +ATOM 20 N GLU A 4 -10.043 -6.352 13.905 1.00 39.36 N +ATOM 21 CA GLU A 4 -10.727 -7.230 12.972 1.00 37.45 C +ATOM 22 C GLU A 4 -10.919 -6.588 11.613 1.00 33.70 C +ATOM 23 O GLU A 4 -10.247 -7.075 10.695 1.00 31.04 O +ATOM 24 CB GLU A 4 -12.079 -7.722 13.605 1.00 42.00 C +ATOM 25 CG GLU A 4 -13.252 -6.785 14.008 1.00 42.17 C +ATOM 26 CD GLU A 4 -13.136 -6.005 15.297 1.00 39.48 C +ATOM 27 OE1 GLU A 4 -12.681 -6.543 16.304 1.00 32.97 O +ATOM 28 OE2 GLU A 4 -13.537 -4.853 15.265 1.00 28.00 O +ATOM 29 N GLN A 5 -11.651 -5.478 11.472 1.00 27.52 N +ATOM 30 CA GLN A 5 -11.786 -4.882 10.168 1.00 25.14 C +ATOM 31 C GLN A 5 -10.455 -4.435 9.624 1.00 24.60 C +ATOM 32 O GLN A 5 -10.132 -4.820 8.500 1.00 26.92 O +ATOM 33 CB GLN A 5 -12.650 -3.666 10.110 1.00 27.47 C +ATOM 34 CG GLN A 5 -13.198 -3.220 11.437 1.00 32.16 C +ATOM 35 CD GLN A 5 -14.695 -3.311 11.598 1.00 26.25 C +ATOM 36 OE1 GLN A 5 -15.347 -2.309 11.825 1.00 32.04 O +ATOM 37 NE2 GLN A 5 -15.304 -4.466 11.531 1.00 23.27 N +ATOM 38 N CYS A 6 -9.625 -3.753 10.396 1.00 18.98 N +ATOM 39 CA CYS A 6 -8.414 -3.290 9.803 1.00 18.10 C +ATOM 40 C CYS A 6 -7.288 -4.282 9.572 1.00 19.59 C +ATOM 41 O CYS A 6 -6.292 -3.964 8.918 1.00 23.77 O +ATOM 42 CB CYS A 6 -7.977 -2.144 10.609 1.00 16.49 C +ATOM 43 SG CYS A 6 -9.219 -0.834 10.478 1.00 27.13 S +ATOM 44 N CYS A 7 -7.371 -5.539 9.984 1.00 23.50 N +ATOM 45 CA CYS A 7 -6.298 -6.510 9.676 1.00 23.70 C +ATOM 46 C CYS A 7 -6.781 -7.541 8.663 1.00 26.23 C +ATOM 47 O CYS A 7 -6.025 -8.366 8.118 1.00 27.74 O +ATOM 48 CB CYS A 7 -5.786 -7.226 10.973 1.00 21.58 C +ATOM 49 SG CYS A 7 -4.915 -6.039 12.074 1.00 23.54 S +ATOM 50 N THR A 8 -8.089 -7.469 8.381 1.00 27.10 N +ATOM 51 CA THR A 8 -8.685 -8.315 7.383 1.00 22.02 C +ATOM 52 C THR A 8 -8.838 -7.390 6.187 1.00 23.02 C +ATOM 53 O THR A 8 -8.697 -7.880 5.067 1.00 24.61 O +ATOM 54 CB THR A 8 -10.045 -8.863 7.916 1.00 22.42 C +ATOM 55 OG1 THR A 8 -10.813 -7.758 8.284 1.00 21.85 O +ATOM 56 CG2 THR A 8 -9.948 -9.708 9.171 1.00 22.20 C +ATOM 57 N SER A 9 -9.105 -6.087 6.306 1.00 20.38 N +ATOM 58 CA SER A 9 -9.215 -5.282 5.127 1.00 21.47 C +ATOM 59 C SER A 9 -8.528 -3.987 5.499 1.00 24.87 C +ATOM 60 O SER A 9 -8.564 -3.560 6.642 1.00 26.12 O +ATOM 61 CB SER A 9 -10.705 -5.101 4.753 1.00 20.62 C +ATOM 62 OG SER A 9 -11.500 -4.420 5.714 1.00 29.59 O +ATOM 63 N ILE A 10 -7.875 -3.350 4.534 1.00 24.08 N +ATOM 64 CA ILE A 10 -7.038 -2.208 4.808 1.00 24.50 C +ATOM 65 C ILE A 10 -7.719 -0.897 5.116 1.00 25.69 C +ATOM 66 O ILE A 10 -8.482 -0.329 4.321 1.00 26.31 O +ATOM 67 CB ILE A 10 -6.054 -2.045 3.611 1.00 23.73 C +ATOM 68 CG1 ILE A 10 -5.157 -3.277 3.686 1.00 25.84 C +ATOM 69 CG2 ILE A 10 -5.199 -0.770 3.629 1.00 20.26 C +ATOM 70 CD1 ILE A 10 -4.224 -3.348 2.477 1.00 23.83 C +ATOM 71 N CYS A 11 -7.297 -0.415 6.282 1.00 25.81 N +ATOM 72 CA CYS A 11 -7.676 0.888 6.727 1.00 23.30 C +ATOM 73 C CYS A 11 -6.621 1.916 6.372 1.00 25.68 C +ATOM 74 O CYS A 11 -5.400 1.776 6.175 1.00 25.83 O +ATOM 75 CB CYS A 11 -7.970 0.887 8.255 1.00 24.70 C +ATOM 76 SG CYS A 11 -9.492 0.000 8.639 1.00 25.16 S +ATOM 77 N SER A 12 -7.431 2.921 6.040 1.00 29.28 N +ATOM 78 CA SER A 12 -7.067 4.197 5.462 1.00 30.13 C +ATOM 79 C SER A 12 -6.958 5.251 6.533 1.00 28.57 C +ATOM 80 O SER A 12 -7.691 5.252 7.539 1.00 22.03 O +ATOM 81 CB SER A 12 -8.148 4.628 4.416 1.00 34.10 C +ATOM 82 OG SER A 12 -9.462 4.906 4.935 1.00 36.36 O +ATOM 83 N LEU A 13 -6.127 6.216 6.134 1.00 26.01 N +ATOM 84 CA LEU A 13 -5.825 7.286 7.019 1.00 27.85 C +ATOM 85 C LEU A 13 -7.097 7.986 7.434 1.00 27.82 C +ATOM 86 O LEU A 13 -7.346 7.990 8.637 1.00 30.34 O +ATOM 87 CB LEU A 13 -4.777 8.152 6.308 1.00 29.55 C +ATOM 88 CG LEU A 13 -3.386 7.456 6.039 1.00 31.73 C +ATOM 89 CD1 LEU A 13 -2.281 8.486 6.263 1.00 29.31 C +ATOM 90 CD2 LEU A 13 -3.020 6.354 7.069 1.00 32.78 C +ATOM 91 N TYR A 14 -8.032 8.393 6.586 1.00 29.50 N +ATOM 92 CA TYR A 14 -9.246 9.050 7.087 1.00 30.71 C +ATOM 93 C TYR A 14 -10.085 8.146 8.019 1.00 28.23 C +ATOM 94 O TYR A 14 -10.773 8.604 8.925 1.00 27.64 O +ATOM 95 CB TYR A 14 -10.045 9.517 5.859 1.00 32.89 C +ATOM 96 CG TYR A 14 -11.355 10.255 6.164 1.00 39.03 C +ATOM 97 CD1 TYR A 14 -11.394 11.629 6.406 1.00 37.27 C +ATOM 98 CD2 TYR A 14 -12.548 9.535 6.151 1.00 40.75 C +ATOM 99 CE1 TYR A 14 -12.606 12.284 6.636 1.00 39.56 C +ATOM 100 CE2 TYR A 14 -13.758 10.175 6.371 1.00 39.07 C +ATOM 101 CZ TYR A 14 -13.789 11.544 6.603 1.00 41.15 C +ATOM 102 OH TYR A 14 -15.032 12.157 6.746 1.00 43.56 O +ATOM 103 N GLN A 15 -9.975 6.825 7.899 1.00 29.56 N +ATOM 104 CA GLN A 15 -10.808 5.882 8.642 1.00 25.62 C +ATOM 105 C GLN A 15 -10.149 5.780 9.955 1.00 21.95 C +ATOM 106 O GLN A 15 -10.929 5.758 10.866 1.00 21.22 O +ATOM 107 CB GLN A 15 -10.833 4.495 8.006 1.00 28.41 C +ATOM 108 CG GLN A 15 -12.100 3.690 8.093 1.00 31.36 C +ATOM 109 CD GLN A 15 -12.036 2.507 7.125 1.00 33.39 C +ATOM 110 OE1 GLN A 15 -11.615 2.644 5.979 1.00 31.77 O +ATOM 111 NE2 GLN A 15 -12.409 1.289 7.504 1.00 40.19 N +ATOM 112 N LEU A 16 -8.825 5.702 10.112 1.00 20.35 N +ATOM 113 CA LEU A 16 -8.161 5.702 11.425 1.00 19.65 C +ATOM 114 C LEU A 16 -8.075 7.117 12.054 1.00 20.87 C +ATOM 115 O LEU A 16 -7.561 7.341 13.145 1.00 23.11 O +ATOM 116 CB LEU A 16 -6.740 5.213 11.357 1.00 12.57 C +ATOM 117 CG LEU A 16 -6.340 3.802 11.345 1.00 9.64 C +ATOM 118 CD1 LEU A 16 -7.490 2.933 11.050 1.00 9.62 C +ATOM 119 CD2 LEU A 16 -5.190 3.703 10.378 1.00 11.88 C +ATOM 120 N GLU A 17 -8.528 8.166 11.380 1.00 21.37 N +ATOM 121 CA GLU A 17 -8.561 9.492 11.942 1.00 17.32 C +ATOM 122 C GLU A 17 -9.738 9.494 12.947 1.00 18.97 C +ATOM 123 O GLU A 17 -9.911 10.324 13.822 1.00 18.13 O +ATOM 124 CB GLU A 17 -8.695 10.345 10.699 1.00 14.20 C +ATOM 125 CG GLU A 17 -8.913 11.818 10.907 1.00 18.68 C +ATOM 126 CD GLU A 17 -8.211 12.798 9.985 1.00 19.79 C +ATOM 127 OE1 GLU A 17 -7.566 12.421 8.995 1.00 24.94 O +ATOM 128 OE2 GLU A 17 -8.300 13.976 10.311 1.00 24.41 O +ATOM 129 N ASN A 18 -10.613 8.527 12.906 1.00 19.52 N +ATOM 130 CA ASN A 18 -11.785 8.415 13.741 1.00 25.02 C +ATOM 131 C ASN A 18 -11.394 7.745 15.007 1.00 26.27 C +ATOM 132 O ASN A 18 -12.051 7.881 16.012 1.00 30.80 O +ATOM 133 CB ASN A 18 -12.850 7.599 12.933 1.00 31.51 C +ATOM 134 CG ASN A 18 -14.019 6.798 13.567 1.00 36.94 C +ATOM 135 OD1 ASN A 18 -13.921 5.976 14.502 1.00 35.68 O +ATOM 136 ND2 ASN A 18 -15.168 7.035 12.925 1.00 36.22 N +ATOM 137 N TYR A 19 -10.307 7.003 15.063 1.00 28.89 N +ATOM 138 CA TYR A 19 -9.935 6.269 16.276 1.00 25.49 C +ATOM 139 C TYR A 19 -8.863 7.148 16.896 1.00 25.68 C +ATOM 140 O TYR A 19 -7.738 6.717 17.182 1.00 29.87 O +ATOM 141 CB TYR A 19 -9.411 4.846 15.884 1.00 26.21 C +ATOM 142 CG TYR A 19 -10.224 3.977 14.856 1.00 30.73 C +ATOM 143 CD1 TYR A 19 -11.233 4.497 14.054 1.00 29.21 C +ATOM 144 CD2 TYR A 19 -9.954 2.627 14.682 1.00 32.14 C +ATOM 145 CE1 TYR A 19 -11.938 3.744 13.134 1.00 31.55 C +ATOM 146 CE2 TYR A 19 -10.664 1.850 13.762 1.00 35.17 C +ATOM 147 CZ TYR A 19 -11.656 2.416 12.983 1.00 32.48 C +ATOM 148 OH TYR A 19 -12.378 1.679 12.058 1.00 31.47 O +ATOM 149 N CYS A 20 -9.175 8.440 16.996 1.00 22.54 N +ATOM 150 CA CYS A 20 -8.308 9.366 17.691 1.00 24.30 C +ATOM 151 C CYS A 20 -9.274 10.054 18.650 1.00 26.90 C +ATOM 152 O CYS A 20 -10.513 10.024 18.531 1.00 21.36 O +ATOM 153 CB CYS A 20 -7.656 10.444 16.821 1.00 18.88 C +ATOM 154 SG CYS A 20 -6.802 9.866 15.334 1.00 21.47 S +ATOM 155 N ASN A 21 -8.601 10.475 19.721 1.00 30.95 N +ATOM 156 CA ASN A 21 -9.244 11.073 20.879 1.00 36.58 C +ATOM 157 C ASN A 21 -9.755 12.505 20.672 1.00 38.03 C +ATOM 158 O ASN A 21 -9.927 12.948 19.521 1.00 40.30 O +ATOM 159 CB ASN A 21 -8.235 11.000 22.017 1.00 36.88 C +ATOM 160 CG ASN A 21 -8.759 10.715 23.426 1.00 36.17 C +ATOM 161 OD1 ASN A 21 -8.172 11.184 24.409 1.00 39.21 O +ATOM 162 ND2 ASN A 21 -9.739 9.837 23.645 1.00 32.44 N +ATOM 163 OXT ASN A 21 -10.050 13.162 21.679 1.00 41.24 O +TER 164 ASN A 21 +ATOM 165 N PHE B 1 -1.796 -18.063 15.599 1.00 30.28 N +ATOM 166 CA PHE B 1 -2.222 -16.870 16.298 1.00 30.92 C +ATOM 167 C PHE B 1 -1.529 -15.583 15.811 1.00 34.45 C +ATOM 168 O PHE B 1 -2.180 -14.540 15.746 1.00 34.27 O +ATOM 169 CB PHE B 1 -1.970 -17.096 17.814 1.00 29.56 C +ATOM 170 CG PHE B 1 -2.706 -16.156 18.797 1.00 33.31 C +ATOM 171 CD1 PHE B 1 -4.044 -16.348 19.122 1.00 33.33 C +ATOM 172 CD2 PHE B 1 -2.050 -15.081 19.380 1.00 28.91 C +ATOM 173 CE1 PHE B 1 -4.668 -15.473 20.003 1.00 34.73 C +ATOM 174 CE2 PHE B 1 -2.685 -14.225 20.248 1.00 25.33 C +ATOM 175 CZ PHE B 1 -3.989 -14.409 20.567 1.00 29.89 C +ATOM 176 N VAL B 2 -0.271 -15.573 15.330 1.00 35.87 N +ATOM 177 CA VAL B 2 0.494 -14.332 15.046 1.00 36.28 C +ATOM 178 C VAL B 2 0.146 -13.142 14.108 1.00 34.08 C +ATOM 179 O VAL B 2 0.441 -12.006 14.521 1.00 36.83 O +ATOM 180 CB VAL B 2 1.937 -14.870 14.734 1.00 39.46 C +ATOM 181 CG1 VAL B 2 2.365 -14.698 13.258 1.00 37.99 C +ATOM 182 CG2 VAL B 2 2.859 -14.175 15.766 1.00 37.87 C +ATOM 183 N ASN B 3 -0.498 -13.237 12.921 1.00 32.15 N +ATOM 184 CA ASN B 3 -0.754 -12.089 12.041 1.00 24.85 C +ATOM 185 C ASN B 3 -1.599 -10.969 12.595 1.00 22.81 C +ATOM 186 O ASN B 3 -1.348 -9.790 12.307 1.00 23.38 O +ATOM 187 CB ASN B 3 -1.358 -12.575 10.743 1.00 28.37 C +ATOM 188 CG ASN B 3 -0.335 -13.488 10.040 1.00 35.01 C +ATOM 189 OD1 ASN B 3 -0.451 -14.696 10.262 1.00 39.03 O +ATOM 190 ND2 ASN B 3 0.708 -13.097 9.279 1.00 35.66 N +ATOM 191 N GLN B 4 -2.545 -11.324 13.464 1.00 20.33 N +ATOM 192 CA GLN B 4 -3.353 -10.378 14.252 1.00 19.09 C +ATOM 193 C GLN B 4 -2.409 -9.561 15.137 1.00 17.02 C +ATOM 194 O GLN B 4 -2.415 -8.339 15.126 1.00 16.83 O +ATOM 195 CB GLN B 4 -4.414 -11.217 15.071 1.00 20.53 C +ATOM 196 CG GLN B 4 -4.089 -12.244 16.225 1.00 24.41 C +ATOM 197 CD GLN B 4 -4.985 -13.496 16.244 1.00 32.70 C +ATOM 198 OE1 GLN B 4 -5.903 -13.842 17.032 1.00 31.95 O +ATOM 199 NE2 GLN B 4 -4.719 -14.299 15.236 1.00 31.54 N +ATOM 200 N HIS B 5 -1.464 -10.172 15.843 1.00 18.58 N +ATOM 201 CA HIS B 5 -0.525 -9.433 16.681 1.00 20.19 C +ATOM 202 C HIS B 5 0.409 -8.608 15.833 1.00 18.45 C +ATOM 203 O HIS B 5 0.653 -7.448 16.136 1.00 21.02 O +ATOM 204 CB HIS B 5 0.337 -10.382 17.584 1.00 19.55 C +ATOM 205 CG HIS B 5 0.987 -9.682 18.822 1.00 22.23 C +ATOM 206 ND1 HIS B 5 0.495 -9.546 20.071 1.00 24.12 N +ATOM 207 CD2 HIS B 5 2.238 -9.059 18.835 1.00 25.98 C +ATOM 208 CE1 HIS B 5 1.379 -8.888 20.793 1.00 24.97 C +ATOM 209 NE2 HIS B 5 2.424 -8.599 20.041 1.00 23.29 N +ATOM 210 N LEU B 6 0.970 -9.152 14.772 1.00 16.09 N +ATOM 211 CA LEU B 6 1.907 -8.403 13.950 1.00 13.85 C +ATOM 212 C LEU B 6 1.295 -7.208 13.305 1.00 12.21 C +ATOM 213 O LEU B 6 2.052 -6.315 12.922 1.00 13.37 O +ATOM 214 CB LEU B 6 2.469 -9.245 12.815 1.00 13.32 C +ATOM 215 CG LEU B 6 3.843 -9.895 12.902 1.00 17.11 C +ATOM 216 CD1 LEU B 6 4.064 -10.478 14.311 1.00 12.32 C +ATOM 217 CD2 LEU B 6 3.982 -10.910 11.737 1.00 20.53 C +ATOM 218 N CYS B 7 -0.014 -7.271 13.036 1.00 15.47 N +ATOM 219 CA CYS B 7 -0.734 -6.219 12.310 1.00 14.44 C +ATOM 220 C CYS B 7 -1.100 -5.110 13.240 1.00 13.80 C +ATOM 221 O CYS B 7 -0.917 -3.960 12.817 1.00 13.08 O +ATOM 222 CB CYS B 7 -2.011 -6.800 11.617 1.00 19.65 C +ATOM 223 SG CYS B 7 -3.279 -5.679 10.928 1.00 15.67 S +ATOM 224 N GLY B 8 -1.502 -5.441 14.476 1.00 12.42 N +ATOM 225 CA GLY B 8 -1.707 -4.457 15.530 1.00 11.14 C +ATOM 226 C GLY B 8 -0.469 -3.612 15.779 1.00 10.75 C +ATOM 227 O GLY B 8 -0.551 -2.423 16.145 1.00 9.38 O +ATOM 228 N SER B 9 0.741 -4.174 15.563 1.00 11.22 N +ATOM 229 CA SER B 9 1.935 -3.345 15.707 1.00 10.97 C +ATOM 230 C SER B 9 1.989 -2.364 14.549 1.00 12.60 C +ATOM 231 O SER B 9 2.350 -1.206 14.741 1.00 13.28 O +ATOM 232 CB SER B 9 3.244 -4.198 15.778 1.00 10.67 C +ATOM 233 OG SER B 9 3.532 -5.306 14.904 1.00 13.81 O +ATOM 234 N HIS B 10 1.564 -2.694 13.336 1.00 13.33 N +ATOM 235 CA HIS B 10 1.551 -1.668 12.333 1.00 12.85 C +ATOM 236 C HIS B 10 0.349 -0.760 12.554 1.00 15.06 C +ATOM 237 O HIS B 10 0.485 0.448 12.448 1.00 16.60 O +ATOM 238 CB HIS B 10 1.529 -2.320 10.946 1.00 13.22 C +ATOM 239 CG HIS B 10 2.864 -2.904 10.546 1.00 10.61 C +ATOM 240 ND1 HIS B 10 3.833 -2.286 9.925 1.00 10.65 N +ATOM 241 CD2 HIS B 10 3.288 -4.186 10.732 1.00 11.26 C +ATOM 242 CE1 HIS B 10 4.780 -3.109 9.719 1.00 12.33 C +ATOM 243 NE2 HIS B 10 4.474 -4.284 10.209 1.00 9.88 N +ATOM 244 N LEU B 11 -0.866 -1.212 12.844 1.00 19.04 N +ATOM 245 CA LEU B 11 -2.080 -0.393 13.128 1.00 17.73 C +ATOM 246 C LEU B 11 -1.852 0.694 14.197 1.00 17.51 C +ATOM 247 O LEU B 11 -2.344 1.820 14.104 1.00 18.34 O +ATOM 248 CB LEU B 11 -3.208 -1.352 13.600 1.00 13.14 C +ATOM 249 CG LEU B 11 -4.693 -1.209 13.331 1.00 15.25 C +ATOM 250 CD1 LEU B 11 -5.363 -2.218 14.242 1.00 10.76 C +ATOM 251 CD2 LEU B 11 -5.229 0.186 13.585 1.00 10.09 C +ATOM 252 N VAL B 12 -1.074 0.429 15.228 1.00 17.42 N +ATOM 253 CA VAL B 12 -0.806 1.416 16.262 1.00 18.77 C +ATOM 254 C VAL B 12 0.200 2.481 15.882 1.00 17.89 C +ATOM 255 O VAL B 12 0.204 3.545 16.491 1.00 23.09 O +ATOM 256 CB VAL B 12 -0.395 0.617 17.528 1.00 17.70 C +ATOM 257 CG1 VAL B 12 1.012 0.772 18.044 1.00 13.54 C +ATOM 258 CG2 VAL B 12 -1.397 1.100 18.508 1.00 15.45 C +ATOM 259 N GLU B 13 1.033 2.258 14.863 1.00 18.55 N +ATOM 260 CA GLU B 13 2.046 3.180 14.347 1.00 14.95 C +ATOM 261 C GLU B 13 1.300 4.087 13.361 1.00 12.50 C +ATOM 262 O GLU B 13 1.466 5.313 13.395 1.00 16.52 O +ATOM 263 CB GLU B 13 3.121 2.252 13.759 1.00 21.56 C +ATOM 264 CG GLU B 13 4.126 2.704 12.658 1.00 34.30 C +ATOM 265 CD GLU B 13 4.385 1.705 11.488 1.00 38.35 C +ATOM 266 OE1 GLU B 13 5.012 0.649 11.706 1.00 34.83 O +ATOM 267 OE2 GLU B 13 3.956 2.011 10.353 1.00 40.69 O +ATOM 268 N ALA B 14 0.371 3.609 12.531 1.00 10.83 N +ATOM 269 CA ALA B 14 -0.456 4.483 11.679 1.00 11.29 C +ATOM 270 C ALA B 14 -1.420 5.319 12.481 1.00 12.06 C +ATOM 271 O ALA B 14 -1.489 6.495 12.225 1.00 14.18 O +ATOM 272 CB ALA B 14 -1.295 3.695 10.714 1.00 10.32 C +ATOM 273 N LEU B 15 -2.188 4.788 13.438 1.00 14.58 N +ATOM 274 CA LEU B 15 -2.950 5.556 14.429 1.00 16.29 C +ATOM 275 C LEU B 15 -2.087 6.688 14.976 1.00 15.93 C +ATOM 276 O LEU B 15 -2.465 7.832 14.774 1.00 14.60 O +ATOM 277 CB LEU B 15 -3.412 4.655 15.647 1.00 20.74 C +ATOM 278 CG LEU B 15 -4.683 3.779 15.538 1.00 25.98 C +ATOM 279 CD1 LEU B 15 -4.665 2.668 16.565 1.00 26.66 C +ATOM 280 CD2 LEU B 15 -5.916 4.650 15.765 1.00 23.63 C +ATOM 281 N TYR B 16 -0.888 6.433 15.561 1.00 16.05 N +ATOM 282 CA TYR B 16 -0.006 7.439 16.138 1.00 13.52 C +ATOM 283 C TYR B 16 0.312 8.583 15.221 1.00 13.80 C +ATOM 284 O TYR B 16 0.287 9.728 15.653 1.00 17.25 O +ATOM 285 CB TYR B 16 1.291 6.751 16.611 1.00 15.20 C +ATOM 286 CG TYR B 16 2.387 7.727 17.105 1.00 15.98 C +ATOM 287 CD1 TYR B 16 2.237 8.585 18.174 1.00 14.10 C +ATOM 288 CD2 TYR B 16 3.547 7.786 16.384 1.00 15.01 C +ATOM 289 CE1 TYR B 16 3.232 9.484 18.496 1.00 10.99 C +ATOM 290 CE2 TYR B 16 4.533 8.671 16.700 1.00 13.29 C +ATOM 291 CZ TYR B 16 4.375 9.518 17.751 1.00 13.39 C +ATOM 292 OH TYR B 16 5.425 10.373 18.018 1.00 9.84 O +ATOM 293 N LEU B 17 0.607 8.267 13.961 1.00 17.10 N +ATOM 294 CA LEU B 17 0.890 9.240 12.908 1.00 15.19 C +ATOM 295 C LEU B 17 -0.369 9.972 12.512 1.00 17.26 C +ATOM 296 O LEU B 17 -0.254 11.183 12.334 1.00 18.33 O +ATOM 297 CB LEU B 17 1.465 8.506 11.690 1.00 21.92 C +ATOM 298 CG LEU B 17 1.851 9.023 10.281 1.00 20.72 C +ATOM 299 CD1 LEU B 17 3.167 9.739 10.313 1.00 23.65 C +ATOM 300 CD2 LEU B 17 2.032 7.839 9.347 1.00 15.45 C +ATOM 301 N VAL B 18 -1.574 9.361 12.382 1.00 17.83 N +ATOM 302 CA VAL B 18 -2.749 10.103 11.936 1.00 18.32 C +ATOM 303 C VAL B 18 -3.392 10.941 13.012 1.00 19.94 C +ATOM 304 O VAL B 18 -3.691 12.109 12.735 1.00 21.78 O +ATOM 305 CB VAL B 18 -3.863 9.190 11.303 1.00 17.34 C +ATOM 306 CG1 VAL B 18 -3.263 8.491 10.106 1.00 19.71 C +ATOM 307 CG2 VAL B 18 -4.356 8.108 12.200 1.00 25.29 C +ATOM 308 N CYS B 19 -3.584 10.412 14.225 1.00 20.85 N +ATOM 309 CA CYS B 19 -4.155 11.179 15.325 1.00 20.94 C +ATOM 310 C CYS B 19 -3.235 12.334 15.640 1.00 22.38 C +ATOM 311 O CYS B 19 -3.639 13.506 15.642 1.00 26.33 O +ATOM 312 CB CYS B 19 -4.310 10.300 16.535 1.00 14.89 C +ATOM 313 SG CYS B 19 -5.253 8.887 15.959 1.00 15.97 S +ATOM 314 N GLY B 20 -1.971 12.046 15.871 1.00 24.01 N +ATOM 315 CA GLY B 20 -1.021 13.116 16.138 1.00 27.76 C +ATOM 316 C GLY B 20 -1.383 13.743 17.468 1.00 29.01 C +ATOM 317 O GLY B 20 -1.573 13.001 18.431 1.00 33.70 O +ATOM 318 N GLU B 21 -1.614 15.054 17.515 1.00 30.75 N +ATOM 319 CA GLU B 21 -1.903 15.795 18.735 1.00 28.74 C +ATOM 320 C GLU B 21 -2.927 15.256 19.740 1.00 25.49 C +ATOM 321 O GLU B 21 -2.709 15.287 20.957 1.00 21.84 O +ATOM 322 CB GLU B 21 -2.233 17.241 18.250 1.00 33.92 C +ATOM 323 CG GLU B 21 -3.331 18.018 19.017 1.00 38.82 C +ATOM 324 CD GLU B 21 -3.108 19.510 19.265 1.00 42.58 C +ATOM 325 OE1 GLU B 21 -2.998 20.275 18.281 1.00 44.57 O +ATOM 326 OE2 GLU B 21 -3.076 19.887 20.457 1.00 41.30 O +ATOM 327 N ARG B 22 -4.015 14.689 19.240 1.00 24.83 N +ATOM 328 CA ARG B 22 -5.129 14.250 20.111 1.00 20.15 C +ATOM 329 C ARG B 22 -4.902 12.985 20.900 1.00 16.55 C +ATOM 330 O ARG B 22 -5.692 12.641 21.751 1.00 13.80 O +ATOM 331 CB ARG B 22 -6.352 14.096 19.235 1.00 22.05 C +ATOM 332 CG ARG B 22 -6.432 15.132 18.101 1.00 22.84 C +ATOM 333 CD ARG B 22 -7.720 14.725 17.458 1.00 29.22 C +ATOM 334 NE ARG B 22 -7.634 14.326 16.072 1.00 33.22 N +ATOM 335 CZ ARG B 22 -8.717 13.772 15.487 1.00 39.57 C +ATOM 336 NH1 ARG B 22 -9.838 13.579 16.206 1.00 38.83 N +ATOM 337 NH2 ARG B 22 -8.727 13.475 14.164 1.00 37.24 N +ATOM 338 N GLY B 23 -3.780 12.320 20.637 1.00 14.41 N +ATOM 339 CA GLY B 23 -3.345 11.101 21.288 1.00 13.81 C +ATOM 340 C GLY B 23 -4.169 9.992 20.759 1.00 19.49 C +ATOM 341 O GLY B 23 -4.697 10.133 19.659 1.00 24.97 O +ATOM 342 N PHE B 24 -4.313 8.845 21.421 1.00 20.13 N +ATOM 343 CA PHE B 24 -5.302 7.871 20.980 1.00 17.26 C +ATOM 344 C PHE B 24 -5.519 6.798 22.043 1.00 18.72 C +ATOM 345 O PHE B 24 -4.919 6.827 23.095 1.00 20.04 O +ATOM 346 CB PHE B 24 -4.903 7.222 19.613 1.00 16.03 C +ATOM 347 CG PHE B 24 -3.601 6.469 19.475 1.00 10.58 C +ATOM 348 CD1 PHE B 24 -2.456 7.140 19.255 1.00 11.56 C +ATOM 349 CD2 PHE B 24 -3.595 5.107 19.552 1.00 10.79 C +ATOM 350 CE1 PHE B 24 -1.304 6.441 19.146 1.00 11.01 C +ATOM 351 CE2 PHE B 24 -2.440 4.409 19.441 1.00 11.27 C +ATOM 352 CZ PHE B 24 -1.293 5.087 19.226 1.00 11.89 C +ATOM 353 N PHE B 25 -6.363 5.832 21.763 1.00 20.65 N +ATOM 354 CA PHE B 25 -6.799 4.800 22.640 1.00 18.92 C +ATOM 355 C PHE B 25 -6.617 3.562 21.834 1.00 15.50 C +ATOM 356 O PHE B 25 -7.133 3.442 20.739 1.00 13.59 O +ATOM 357 CB PHE B 25 -8.282 4.975 23.001 1.00 29.08 C +ATOM 358 CG PHE B 25 -9.155 5.634 21.914 1.00 37.49 C +ATOM 359 CD1 PHE B 25 -9.177 7.027 21.778 1.00 39.32 C +ATOM 360 CD2 PHE B 25 -9.939 4.871 21.055 1.00 42.49 C +ATOM 361 CE1 PHE B 25 -9.962 7.643 20.810 1.00 41.83 C +ATOM 362 CE2 PHE B 25 -10.727 5.489 20.082 1.00 42.68 C +ATOM 363 CZ PHE B 25 -10.738 6.875 19.960 1.00 44.11 C +ATOM 364 N TYR B 26 -5.872 2.619 22.331 1.00 13.86 N +ATOM 365 CA TYR B 26 -5.809 1.377 21.652 1.00 15.70 C +ATOM 366 C TYR B 26 -6.245 0.271 22.601 1.00 19.74 C +ATOM 367 O TYR B 26 -5.664 0.058 23.658 1.00 25.47 O +ATOM 368 CB TYR B 26 -4.373 1.153 21.122 1.00 11.04 C +ATOM 369 CG TYR B 26 -4.208 -0.200 20.431 1.00 11.24 C +ATOM 370 CD1 TYR B 26 -4.711 -0.430 19.170 1.00 13.27 C +ATOM 371 CD2 TYR B 26 -3.627 -1.244 21.103 1.00 10.75 C +ATOM 372 CE1 TYR B 26 -4.634 -1.688 18.608 1.00 10.76 C +ATOM 373 CE2 TYR B 26 -3.556 -2.496 20.532 1.00 12.08 C +ATOM 374 CZ TYR B 26 -4.084 -2.717 19.289 1.00 12.31 C +ATOM 375 OH TYR B 26 -4.136 -3.997 18.793 1.00 12.07 O +ATOM 376 N THR B 27 -7.261 -0.469 22.187 1.00 24.27 N +ATOM 377 CA THR B 27 -7.687 -1.727 22.811 1.00 26.32 C +ATOM 378 C THR B 27 -7.791 -2.832 21.759 1.00 25.11 C +ATOM 379 O THR B 27 -8.379 -2.555 20.720 1.00 27.68 O +ATOM 380 CB THR B 27 -9.026 -1.520 23.463 1.00 28.26 C +ATOM 381 OG1 THR B 27 -9.359 -0.112 23.427 1.00 29.85 O +ATOM 382 CG2 THR B 27 -8.948 -2.039 24.907 1.00 34.83 C +ATOM 383 N PRO B 28 -7.249 -4.038 21.827 1.00 24.51 N +ATOM 384 CA PRO B 28 -7.506 -5.092 20.815 1.00 27.36 C +ATOM 385 C PRO B 28 -8.951 -5.555 20.430 1.00 31.07 C +ATOM 386 O PRO B 28 -9.457 -5.383 19.299 1.00 31.35 O +ATOM 387 CB PRO B 28 -6.599 -6.218 21.343 1.00 26.39 C +ATOM 388 CG PRO B 28 -5.440 -5.536 22.068 1.00 22.31 C +ATOM 389 CD PRO B 28 -6.120 -4.333 22.701 1.00 22.36 C +ATOM 390 N LYS B 29 -9.628 -6.157 21.436 1.00 35.12 N +ATOM 391 CA LYS B 29 -11.001 -6.716 21.488 1.00 35.78 C +ATOM 392 C LYS B 29 -12.109 -5.723 21.151 1.00 36.49 C +ATOM 393 O LYS B 29 -11.838 -4.616 20.673 1.00 35.25 O +ATOM 394 CB LYS B 29 -11.273 -7.243 22.920 1.00 36.56 C +ATOM 395 CG LYS B 29 -11.191 -6.049 23.929 1.00 34.81 C +ATOM 396 CD LYS B 29 -11.925 -5.986 25.279 1.00 30.03 C +ATOM 397 CE LYS B 29 -11.514 -4.651 25.979 1.00 30.15 C +ATOM 398 NZ LYS B 29 -10.076 -4.595 26.305 1.00 31.86 N +ATOM 399 N ALA B 30 -13.352 -6.124 21.468 1.00 37.76 N +ATOM 400 CA ALA B 30 -14.590 -5.336 21.392 1.00 36.89 C +ATOM 401 C ALA B 30 -14.955 -5.043 19.930 1.00 36.93 C +ATOM 402 O ALA B 30 -14.771 -5.924 19.082 1.00 36.72 O +ATOM 403 CB ALA B 30 -14.390 -4.027 22.216 1.00 35.84 C +ATOM 404 OXT ALA B 30 -15.326 -3.920 19.596 1.00 37.53 O +TER 405 ALA B 30 +ATOM 406 N GLY C 1 2.818 14.800 30.044 1.00 37.04 N +ATOM 407 CA GLY C 1 2.828 13.651 29.129 1.00 37.60 C +ATOM 408 C GLY C 1 4.081 12.735 29.207 1.00 35.71 C +ATOM 409 O GLY C 1 5.159 13.157 29.659 1.00 33.98 O +ATOM 410 N ILE C 2 3.938 11.505 28.667 1.00 31.02 N +ATOM 411 CA ILE C 2 4.932 10.400 28.678 1.00 27.11 C +ATOM 412 C ILE C 2 6.297 10.747 28.165 1.00 27.08 C +ATOM 413 O ILE C 2 7.326 10.182 28.498 1.00 26.17 O +ATOM 414 CB ILE C 2 4.608 9.138 27.783 1.00 23.72 C +ATOM 415 CG1 ILE C 2 3.117 8.860 27.661 1.00 16.63 C +ATOM 416 CG2 ILE C 2 5.403 7.957 28.370 1.00 24.65 C +ATOM 417 CD1 ILE C 2 2.794 7.456 27.217 1.00 19.15 C +ATOM 418 N VAL C 3 6.152 11.552 27.141 1.00 28.47 N +ATOM 419 CA VAL C 3 7.252 11.998 26.370 1.00 28.64 C +ATOM 420 C VAL C 3 8.099 12.822 27.312 1.00 29.12 C +ATOM 421 O VAL C 3 9.218 12.359 27.352 1.00 30.28 O +ATOM 422 CB VAL C 3 6.630 12.670 25.065 1.00 27.05 C +ATOM 423 CG1 VAL C 3 5.234 13.254 25.256 1.00 27.78 C +ATOM 424 CG2 VAL C 3 7.555 13.751 24.613 1.00 27.05 C +ATOM 425 N GLU C 4 7.878 13.851 28.146 1.00 33.43 N +ATOM 426 CA GLU C 4 8.986 14.327 29.019 1.00 35.60 C +ATOM 427 C GLU C 4 9.407 13.227 30.068 1.00 37.60 C +ATOM 428 O GLU C 4 10.572 13.261 30.474 1.00 39.11 O +ATOM 429 CB GLU C 4 8.587 15.632 29.759 1.00 37.98 C +ATOM 430 CG GLU C 4 9.757 16.649 30.085 1.00 41.62 C +ATOM 431 CD GLU C 4 9.795 17.447 31.460 1.00 42.74 C +ATOM 432 OE1 GLU C 4 8.780 17.619 32.171 1.00 45.43 O +ATOM 433 OE2 GLU C 4 10.876 17.937 31.843 1.00 41.57 O +ATOM 434 N GLN C 5 8.668 12.151 30.502 1.00 35.82 N +ATOM 435 CA GLN C 5 9.182 11.139 31.456 1.00 31.92 C +ATOM 436 C GLN C 5 10.051 10.029 30.860 1.00 31.53 C +ATOM 437 O GLN C 5 10.940 9.493 31.537 1.00 31.11 O +ATOM 438 CB GLN C 5 8.058 10.423 32.166 1.00 34.01 C +ATOM 439 CG GLN C 5 8.092 10.247 33.697 1.00 40.98 C +ATOM 440 CD GLN C 5 9.399 9.817 34.393 1.00 43.35 C +ATOM 441 OE1 GLN C 5 9.769 10.355 35.452 1.00 44.36 O +ATOM 442 NE2 GLN C 5 10.177 8.865 33.904 1.00 45.42 N +ATOM 443 N CYS C 6 9.747 9.586 29.621 1.00 30.69 N +ATOM 444 CA CYS C 6 10.504 8.537 28.972 1.00 27.09 C +ATOM 445 C CYS C 6 11.215 8.985 27.741 1.00 26.22 C +ATOM 446 O CYS C 6 12.082 8.256 27.253 1.00 21.15 O +ATOM 447 CB CYS C 6 9.650 7.402 28.599 1.00 27.91 C +ATOM 448 SG CYS C 6 8.779 6.773 30.075 1.00 32.34 S +ATOM 449 N CYS C 7 10.948 10.230 27.308 1.00 23.89 N +ATOM 450 CA CYS C 7 11.744 10.796 26.217 1.00 28.53 C +ATOM 451 C CYS C 7 12.799 11.807 26.716 1.00 30.53 C +ATOM 452 O CYS C 7 13.129 12.833 26.099 1.00 34.32 O +ATOM 453 CB CYS C 7 10.909 11.539 25.172 1.00 26.46 C +ATOM 454 SG CYS C 7 9.743 10.462 24.455 1.00 30.71 S +ATOM 455 N THR C 8 13.345 11.557 27.907 1.00 32.59 N +ATOM 456 CA THR C 8 14.409 12.359 28.486 1.00 32.71 C +ATOM 457 C THR C 8 15.393 11.316 28.962 1.00 32.52 C +ATOM 458 O THR C 8 16.422 11.047 28.335 1.00 32.88 O +ATOM 459 CB THR C 8 13.816 13.271 29.632 1.00 34.67 C +ATOM 460 OG1 THR C 8 13.011 12.445 30.459 1.00 35.75 O +ATOM 461 CG2 THR C 8 13.059 14.449 29.062 1.00 35.60 C +ATOM 462 N SER C 9 14.983 10.641 30.022 1.00 35.27 N +ATOM 463 CA SER C 9 15.695 9.522 30.625 1.00 36.32 C +ATOM 464 C SER C 9 14.851 8.222 30.416 1.00 35.43 C +ATOM 465 O SER C 9 13.613 8.190 30.560 1.00 35.85 O +ATOM 466 CB SER C 9 15.916 9.903 32.114 1.00 36.19 C +ATOM 467 OG SER C 9 16.976 10.832 32.412 1.00 39.35 O +ATOM 468 N ILE C 10 15.570 7.163 30.050 1.00 30.21 N +ATOM 469 CA ILE C 10 15.003 5.855 29.745 1.00 26.77 C +ATOM 470 C ILE C 10 14.077 5.325 30.844 1.00 27.05 C +ATOM 471 O ILE C 10 14.430 5.405 32.033 1.00 27.86 O +ATOM 472 CB ILE C 10 16.137 4.842 29.492 1.00 24.51 C +ATOM 473 CG1 ILE C 10 17.142 5.405 28.578 1.00 28.63 C +ATOM 474 CG2 ILE C 10 15.619 3.647 28.794 1.00 20.42 C +ATOM 475 CD1 ILE C 10 18.596 4.994 28.965 1.00 35.11 C +ATOM 476 N CYS C 11 12.919 4.802 30.400 1.00 26.73 N +ATOM 477 CA CYS C 11 11.887 4.123 31.152 1.00 20.20 C +ATOM 478 C CYS C 11 11.939 2.633 30.894 1.00 20.61 C +ATOM 479 O CYS C 11 12.363 2.025 29.905 1.00 22.77 O +ATOM 480 CB CYS C 11 10.534 4.589 30.786 1.00 17.88 C +ATOM 481 SG CYS C 11 10.167 6.231 31.418 1.00 27.78 S +ATOM 482 N SER C 12 11.488 2.030 31.957 1.00 21.07 N +ATOM 483 CA SER C 12 11.596 0.620 32.148 1.00 19.48 C +ATOM 484 C SER C 12 10.311 0.037 31.627 1.00 19.62 C +ATOM 485 O SER C 12 9.302 0.713 31.412 1.00 13.72 O +ATOM 486 CB SER C 12 11.822 0.481 33.673 1.00 21.18 C +ATOM 487 OG SER C 12 11.854 -0.822 34.219 1.00 24.84 O +ATOM 488 N LEU C 13 10.410 -1.276 31.582 1.00 22.71 N +ATOM 489 CA LEU C 13 9.287 -2.165 31.300 1.00 27.18 C +ATOM 490 C LEU C 13 8.178 -1.997 32.326 1.00 26.85 C +ATOM 491 O LEU C 13 6.977 -2.048 32.039 1.00 29.82 O +ATOM 492 CB LEU C 13 9.698 -3.651 31.357 1.00 30.91 C +ATOM 493 CG LEU C 13 10.682 -4.290 30.367 1.00 34.59 C +ATOM 494 CD1 LEU C 13 11.274 -5.605 30.985 1.00 36.17 C +ATOM 495 CD2 LEU C 13 9.954 -4.474 29.019 1.00 31.58 C +ATOM 496 N TYR C 14 8.650 -1.765 33.553 1.00 23.09 N +ATOM 497 CA TYR C 14 7.776 -1.639 34.689 1.00 18.67 C +ATOM 498 C TYR C 14 7.333 -0.195 34.778 1.00 19.27 C +ATOM 499 O TYR C 14 6.278 0.093 35.304 1.00 19.90 O +ATOM 500 CB TYR C 14 8.544 -2.097 35.896 1.00 15.50 C +ATOM 501 CG TYR C 14 9.142 -3.476 35.702 1.00 11.47 C +ATOM 502 CD1 TYR C 14 10.327 -3.605 35.033 1.00 10.98 C +ATOM 503 CD2 TYR C 14 8.508 -4.591 36.175 1.00 15.14 C +ATOM 504 CE1 TYR C 14 10.884 -4.834 34.828 1.00 12.46 C +ATOM 505 CE2 TYR C 14 9.078 -5.834 35.972 1.00 13.97 C +ATOM 506 CZ TYR C 14 10.270 -5.958 35.303 1.00 12.82 C +ATOM 507 OH TYR C 14 10.912 -7.194 35.197 1.00 20.08 O +ATOM 508 N GLN C 15 8.081 0.775 34.271 1.00 22.02 N +ATOM 509 CA GLN C 15 7.625 2.163 34.228 1.00 22.86 C +ATOM 510 C GLN C 15 6.704 2.423 33.023 1.00 23.48 C +ATOM 511 O GLN C 15 5.848 3.296 33.033 1.00 22.29 O +ATOM 512 CB GLN C 15 8.846 3.067 34.160 1.00 24.28 C +ATOM 513 CG GLN C 15 9.080 4.000 35.335 1.00 24.23 C +ATOM 514 CD GLN C 15 7.977 5.050 35.496 1.00 31.63 C +ATOM 515 OE1 GLN C 15 8.244 6.231 35.326 1.00 37.26 O +ATOM 516 NE2 GLN C 15 6.717 4.802 35.846 1.00 35.04 N +ATOM 517 N LEU C 16 6.831 1.668 31.933 1.00 26.23 N +ATOM 518 CA LEU C 16 6.061 1.866 30.696 1.00 27.12 C +ATOM 519 C LEU C 16 4.607 1.649 31.016 1.00 26.01 C +ATOM 520 O LEU C 16 3.714 2.421 30.727 1.00 31.47 O +ATOM 521 CB LEU C 16 6.585 0.849 29.643 1.00 26.45 C +ATOM 522 CG LEU C 16 7.135 1.213 28.223 1.00 22.62 C +ATOM 523 CD1 LEU C 16 8.138 2.358 28.316 1.00 15.33 C +ATOM 524 CD2 LEU C 16 7.715 -0.047 27.588 1.00 14.82 C +ATOM 525 N GLU C 17 4.478 0.622 31.827 1.00 27.14 N +ATOM 526 CA GLU C 17 3.264 0.092 32.433 1.00 25.16 C +ATOM 527 C GLU C 17 2.364 0.993 33.271 1.00 23.86 C +ATOM 528 O GLU C 17 1.287 0.636 33.739 1.00 23.31 O +ATOM 529 CB GLU C 17 3.713 -1.045 33.252 1.00 26.05 C +ATOM 530 CG GLU C 17 2.902 -2.272 32.964 1.00 32.81 C +ATOM 531 CD GLU C 17 2.717 -3.093 34.236 1.00 33.82 C +ATOM 532 OE1 GLU C 17 2.312 -2.497 35.242 1.00 35.48 O +ATOM 533 OE2 GLU C 17 2.996 -4.298 34.214 1.00 31.39 O +ATOM 534 N ASN C 18 2.815 2.185 33.565 1.00 24.41 N +ATOM 535 CA ASN C 18 1.983 3.116 34.248 1.00 23.86 C +ATOM 536 C ASN C 18 0.980 3.491 33.161 1.00 24.21 C +ATOM 537 O ASN C 18 -0.194 3.179 33.279 1.00 22.65 O +ATOM 538 CB ASN C 18 2.829 4.334 34.710 1.00 27.82 C +ATOM 539 CG ASN C 18 3.680 4.236 36.001 1.00 30.73 C +ATOM 540 OD1 ASN C 18 4.418 3.280 36.301 1.00 28.45 O +ATOM 541 ND2 ASN C 18 3.633 5.300 36.810 1.00 30.18 N +ATOM 542 N TYR C 19 1.428 4.017 32.015 1.00 26.34 N +ATOM 543 CA TYR C 19 0.578 4.613 31.004 1.00 27.42 C +ATOM 544 C TYR C 19 0.414 3.517 29.997 1.00 27.80 C +ATOM 545 O TYR C 19 0.942 3.484 28.878 1.00 30.20 O +ATOM 546 CB TYR C 19 1.215 5.826 30.338 1.00 30.79 C +ATOM 547 CG TYR C 19 2.181 6.695 31.153 1.00 35.72 C +ATOM 548 CD1 TYR C 19 3.387 6.144 31.601 1.00 39.76 C +ATOM 549 CD2 TYR C 19 1.926 8.041 31.413 1.00 34.65 C +ATOM 550 CE1 TYR C 19 4.329 6.908 32.287 1.00 42.09 C +ATOM 551 CE2 TYR C 19 2.868 8.813 32.091 1.00 38.03 C +ATOM 552 CZ TYR C 19 4.063 8.238 32.515 1.00 42.00 C +ATOM 553 OH TYR C 19 5.063 8.993 33.101 1.00 45.24 O +ATOM 554 N CYS C 20 -0.475 2.692 30.524 1.00 26.99 N +ATOM 555 CA CYS C 20 -0.890 1.373 30.051 1.00 27.47 C +ATOM 556 C CYS C 20 -2.340 1.349 30.594 1.00 32.17 C +ATOM 557 O CYS C 20 -2.934 2.456 30.796 1.00 31.43 O +ATOM 558 CB CYS C 20 -0.043 0.387 30.751 1.00 25.28 C +ATOM 559 SG CYS C 20 -0.060 -1.332 30.321 1.00 17.81 S +ATOM 560 N ASN C 21 -2.978 0.181 30.849 1.00 33.53 N +ATOM 561 CA ASN C 21 -4.342 0.125 31.438 1.00 35.60 C +ATOM 562 C ASN C 21 -4.558 -1.032 32.442 1.00 34.45 C +ATOM 563 O ASN C 21 -4.104 -0.912 33.583 1.00 35.28 O +ATOM 564 CB ASN C 21 -5.383 0.074 30.272 1.00 33.11 C +ATOM 565 CG ASN C 21 -6.009 1.419 29.909 1.00 31.31 C +ATOM 566 OD1 ASN C 21 -6.935 1.533 29.101 1.00 34.65 O +ATOM 567 ND2 ASN C 21 -5.587 2.541 30.458 1.00 29.96 N +ATOM 568 OXT ASN C 21 -5.133 -2.073 32.123 1.00 37.70 O +TER 569 ASN C 21 +ATOM 570 N PHE D 1 9.158 19.035 18.998 1.00 45.34 N +ATOM 571 CA PHE D 1 8.799 18.683 17.641 1.00 44.14 C +ATOM 572 C PHE D 1 9.950 18.233 16.686 1.00 43.51 C +ATOM 573 O PHE D 1 9.740 18.429 15.487 1.00 47.05 O +ATOM 574 CB PHE D 1 8.037 19.908 17.060 1.00 39.87 C +ATOM 575 CG PHE D 1 8.790 21.235 16.854 1.00 38.09 C +ATOM 576 CD1 PHE D 1 9.768 21.385 15.861 1.00 34.54 C +ATOM 577 CD2 PHE D 1 8.397 22.352 17.584 1.00 36.50 C +ATOM 578 CE1 PHE D 1 10.327 22.621 15.596 1.00 33.14 C +ATOM 579 CE2 PHE D 1 8.973 23.591 17.305 1.00 35.63 C +ATOM 580 CZ PHE D 1 9.924 23.725 16.311 1.00 33.92 C +ATOM 581 N VAL D 2 11.143 17.687 16.995 1.00 41.35 N +ATOM 582 CA VAL D 2 12.050 17.288 15.917 1.00 37.63 C +ATOM 583 C VAL D 2 12.452 15.837 16.047 1.00 35.03 C +ATOM 584 O VAL D 2 12.451 15.105 15.050 1.00 34.17 O +ATOM 585 CB VAL D 2 13.331 18.248 15.850 1.00 38.01 C +ATOM 586 CG1 VAL D 2 13.565 18.919 17.201 1.00 38.87 C +ATOM 587 CG2 VAL D 2 14.619 17.475 15.421 1.00 40.33 C +ATOM 588 N ASN D 3 12.681 15.501 17.343 1.00 32.38 N +ATOM 589 CA ASN D 3 13.154 14.222 17.911 1.00 31.33 C +ATOM 590 C ASN D 3 12.084 13.496 18.805 1.00 27.64 C +ATOM 591 O ASN D 3 11.933 12.263 18.860 1.00 25.76 O +ATOM 592 CB ASN D 3 14.476 14.456 18.754 1.00 33.42 C +ATOM 593 CG ASN D 3 15.773 15.082 18.117 1.00 39.17 C +ATOM 594 OD1 ASN D 3 16.223 16.179 18.494 1.00 38.71 O +ATOM 595 ND2 ASN D 3 16.542 14.502 17.192 1.00 37.50 N +ATOM 596 N GLN D 4 11.246 14.315 19.448 1.00 23.80 N +ATOM 597 CA GLN D 4 10.042 14.015 20.264 1.00 24.90 C +ATOM 598 C GLN D 4 9.002 13.159 19.536 1.00 24.94 C +ATOM 599 O GLN D 4 8.233 12.354 20.066 1.00 24.59 O +ATOM 600 CB GLN D 4 9.445 15.391 20.651 1.00 27.08 C +ATOM 601 CG GLN D 4 8.620 15.758 21.870 1.00 26.79 C +ATOM 602 CD GLN D 4 8.789 17.258 22.102 1.00 28.39 C +ATOM 603 OE1 GLN D 4 8.556 18.043 21.177 1.00 29.41 O +ATOM 604 NE2 GLN D 4 9.280 17.766 23.223 1.00 27.04 N +ATOM 605 N HIS D 5 8.981 13.429 18.239 1.00 24.41 N +ATOM 606 CA HIS D 5 8.141 12.686 17.353 1.00 23.17 C +ATOM 607 C HIS D 5 8.733 11.296 17.263 1.00 22.18 C +ATOM 608 O HIS D 5 7.975 10.332 17.356 1.00 23.80 O +ATOM 609 CB HIS D 5 8.131 13.278 15.946 1.00 28.22 C +ATOM 610 CG HIS D 5 7.199 12.378 15.139 1.00 35.13 C +ATOM 611 ND1 HIS D 5 7.482 11.174 14.583 1.00 35.89 N +ATOM 612 CD2 HIS D 5 5.846 12.614 14.988 1.00 33.42 C +ATOM 613 CE1 HIS D 5 6.364 10.664 14.120 1.00 35.86 C +ATOM 614 NE2 HIS D 5 5.396 11.538 14.375 1.00 37.52 N +ATOM 615 N LEU D 6 10.058 11.182 16.993 1.00 21.12 N +ATOM 616 CA LEU D 6 10.692 9.908 16.733 1.00 15.20 C +ATOM 617 C LEU D 6 10.548 8.974 17.890 1.00 15.28 C +ATOM 618 O LEU D 6 10.340 7.797 17.606 1.00 14.99 O +ATOM 619 CB LEU D 6 12.173 10.034 16.459 1.00 17.13 C +ATOM 620 CG LEU D 6 12.712 10.282 15.037 1.00 20.89 C +ATOM 621 CD1 LEU D 6 12.617 11.730 14.657 1.00 27.45 C +ATOM 622 CD2 LEU D 6 14.210 10.159 15.005 1.00 16.73 C +ATOM 623 N CYS D 7 10.865 9.460 19.105 1.00 19.41 N +ATOM 624 CA CYS D 7 10.743 8.821 20.427 1.00 17.32 C +ATOM 625 C CYS D 7 9.355 8.253 20.583 1.00 16.39 C +ATOM 626 O CYS D 7 9.173 7.048 20.710 1.00 21.47 O +ATOM 627 CB CYS D 7 10.993 9.847 21.590 1.00 20.37 C +ATOM 628 SG CYS D 7 10.805 9.221 23.298 1.00 30.02 S +ATOM 629 N GLY D 8 8.323 9.045 20.413 1.00 15.33 N +ATOM 630 CA GLY D 8 6.967 8.561 20.562 1.00 13.91 C +ATOM 631 C GLY D 8 6.602 7.366 19.702 1.00 13.36 C +ATOM 632 O GLY D 8 5.845 6.494 20.137 1.00 13.38 O +ATOM 633 N SER D 9 7.137 7.252 18.496 1.00 14.35 N +ATOM 634 CA SER D 9 6.831 6.158 17.571 1.00 11.22 C +ATOM 635 C SER D 9 7.109 4.781 18.135 1.00 10.74 C +ATOM 636 O SER D 9 6.447 3.771 17.866 1.00 11.52 O +ATOM 637 CB SER D 9 7.640 6.554 16.376 1.00 10.83 C +ATOM 638 OG SER D 9 7.923 5.527 15.464 1.00 24.61 O +ATOM 639 N HIS D 10 8.147 4.839 18.982 1.00 13.14 N +ATOM 640 CA HIS D 10 8.738 3.746 19.760 1.00 13.49 C +ATOM 641 C HIS D 10 8.061 3.633 21.109 1.00 13.75 C +ATOM 642 O HIS D 10 8.006 2.540 21.663 1.00 16.99 O +ATOM 643 CB HIS D 10 10.196 3.971 20.081 1.00 12.26 C +ATOM 644 CG HIS D 10 11.135 3.815 18.922 1.00 11.65 C +ATOM 645 ND1 HIS D 10 11.546 2.737 18.298 1.00 14.26 N +ATOM 646 CD2 HIS D 10 11.718 4.823 18.300 1.00 9.66 C +ATOM 647 CE1 HIS D 10 12.326 3.019 17.354 1.00 11.58 C +ATOM 648 NE2 HIS D 10 12.442 4.303 17.353 1.00 11.51 N +ATOM 649 N LEU D 11 7.579 4.720 21.703 1.00 12.39 N +ATOM 650 CA LEU D 11 6.853 4.622 22.931 1.00 12.78 C +ATOM 651 C LEU D 11 5.548 3.975 22.582 1.00 14.38 C +ATOM 652 O LEU D 11 5.191 3.010 23.240 1.00 18.10 O +ATOM 653 CB LEU D 11 6.670 5.995 23.524 1.00 12.27 C +ATOM 654 CG LEU D 11 7.801 6.328 24.478 1.00 15.77 C +ATOM 655 CD1 LEU D 11 7.956 7.800 24.696 1.00 12.98 C +ATOM 656 CD2 LEU D 11 7.508 5.580 25.765 1.00 19.55 C +ATOM 657 N VAL D 12 4.844 4.367 21.544 1.00 16.99 N +ATOM 658 CA VAL D 12 3.598 3.708 21.115 1.00 19.77 C +ATOM 659 C VAL D 12 3.768 2.234 20.727 1.00 20.73 C +ATOM 660 O VAL D 12 2.884 1.402 20.901 1.00 20.00 O +ATOM 661 CB VAL D 12 3.047 4.521 19.952 1.00 18.63 C +ATOM 662 CG1 VAL D 12 1.839 3.925 19.414 1.00 19.87 C +ATOM 663 CG2 VAL D 12 2.601 5.857 20.432 1.00 19.86 C +ATOM 664 N GLU D 13 4.954 1.884 20.269 1.00 20.55 N +ATOM 665 CA GLU D 13 5.328 0.518 19.897 1.00 22.75 C +ATOM 666 C GLU D 13 5.561 -0.389 21.112 1.00 21.74 C +ATOM 667 O GLU D 13 4.994 -1.464 21.298 1.00 23.37 O +ATOM 668 CB GLU D 13 6.572 0.721 19.007 1.00 31.01 C +ATOM 669 CG GLU D 13 7.683 -0.312 18.723 1.00 31.99 C +ATOM 670 CD GLU D 13 8.901 0.255 17.956 1.00 35.88 C +ATOM 671 OE1 GLU D 13 8.867 1.346 17.368 1.00 30.07 O +ATOM 672 OE2 GLU D 13 9.930 -0.422 17.965 1.00 41.62 O +ATOM 673 N ALA D 14 6.390 0.039 22.044 1.00 19.33 N +ATOM 674 CA ALA D 14 6.636 -0.693 23.260 1.00 10.47 C +ATOM 675 C ALA D 14 5.357 -0.696 24.087 1.00 11.50 C +ATOM 676 O ALA D 14 5.004 -1.734 24.640 1.00 10.97 O +ATOM 677 CB ALA D 14 7.792 0.031 23.920 1.00 12.46 C +ATOM 678 N LEU D 15 4.570 0.380 24.191 1.00 10.88 N +ATOM 679 CA LEU D 15 3.331 0.333 24.934 1.00 11.52 C +ATOM 680 C LEU D 15 2.473 -0.734 24.314 1.00 16.33 C +ATOM 681 O LEU D 15 1.744 -1.390 25.054 1.00 22.47 O +ATOM 682 CB LEU D 15 2.505 1.648 24.925 1.00 10.50 C +ATOM 683 CG LEU D 15 2.936 2.933 25.714 1.00 11.99 C +ATOM 684 CD1 LEU D 15 1.818 3.963 25.760 1.00 11.52 C +ATOM 685 CD2 LEU D 15 3.364 2.521 27.135 1.00 15.36 C +ATOM 686 N TYR D 16 2.584 -1.119 23.052 1.00 17.01 N +ATOM 687 CA TYR D 16 1.736 -2.186 22.514 1.00 17.37 C +ATOM 688 C TYR D 16 2.064 -3.596 22.992 1.00 17.60 C +ATOM 689 O TYR D 16 1.194 -4.462 23.152 1.00 20.24 O +ATOM 690 CB TYR D 16 1.850 -2.051 21.001 1.00 20.26 C +ATOM 691 CG TYR D 16 1.202 -3.127 20.190 1.00 17.06 C +ATOM 692 CD1 TYR D 16 -0.138 -3.123 20.020 1.00 15.61 C +ATOM 693 CD2 TYR D 16 1.967 -4.113 19.650 1.00 20.41 C +ATOM 694 CE1 TYR D 16 -0.738 -4.129 19.292 1.00 20.29 C +ATOM 695 CE2 TYR D 16 1.372 -5.123 18.925 1.00 20.06 C +ATOM 696 CZ TYR D 16 0.024 -5.120 18.748 1.00 20.21 C +ATOM 697 OH TYR D 16 -0.562 -6.093 17.983 1.00 18.73 O +ATOM 698 N LEU D 17 3.340 -3.887 23.205 1.00 19.44 N +ATOM 699 CA LEU D 17 3.751 -5.261 23.509 1.00 21.02 C +ATOM 700 C LEU D 17 3.695 -5.616 24.949 1.00 20.84 C +ATOM 701 O LEU D 17 3.637 -6.829 25.187 1.00 19.50 O +ATOM 702 CB LEU D 17 5.202 -5.692 23.225 1.00 19.44 C +ATOM 703 CG LEU D 17 6.170 -5.311 22.124 1.00 22.53 C +ATOM 704 CD1 LEU D 17 7.459 -5.763 22.778 1.00 23.58 C +ATOM 705 CD2 LEU D 17 5.885 -5.838 20.684 1.00 13.15 C +ATOM 706 N VAL D 18 3.939 -4.569 25.789 1.00 22.29 N +ATOM 707 CA VAL D 18 3.928 -4.678 27.256 1.00 22.77 C +ATOM 708 C VAL D 18 2.461 -4.639 27.696 1.00 25.61 C +ATOM 709 O VAL D 18 1.969 -5.604 28.294 1.00 32.32 O +ATOM 710 CB VAL D 18 4.821 -3.507 27.933 1.00 19.71 C +ATOM 711 CG1 VAL D 18 4.119 -2.275 28.428 1.00 20.75 C +ATOM 712 CG2 VAL D 18 5.286 -4.019 29.253 1.00 21.66 C +ATOM 713 N CYS D 19 1.687 -3.644 27.294 1.00 22.08 N +ATOM 714 CA CYS D 19 0.359 -3.543 27.757 1.00 18.56 C +ATOM 715 C CYS D 19 -0.630 -4.586 27.268 1.00 21.85 C +ATOM 716 O CYS D 19 -1.797 -4.618 27.685 1.00 25.81 O +ATOM 717 CB CYS D 19 -0.027 -2.137 27.437 1.00 17.89 C +ATOM 718 SG CYS D 19 0.859 -1.031 28.552 1.00 22.51 S +ATOM 719 N GLY D 20 -0.218 -5.527 26.448 1.00 22.19 N +ATOM 720 CA GLY D 20 -1.091 -6.629 26.058 1.00 27.31 C +ATOM 721 C GLY D 20 -2.529 -6.265 25.665 1.00 25.64 C +ATOM 722 O GLY D 20 -2.740 -5.266 24.987 1.00 28.65 O +ATOM 723 N GLU D 21 -3.507 -7.051 26.132 1.00 25.11 N +ATOM 724 CA GLU D 21 -4.924 -6.876 25.815 1.00 29.02 C +ATOM 725 C GLU D 21 -5.621 -5.807 26.646 1.00 28.57 C +ATOM 726 O GLU D 21 -6.655 -5.290 26.240 1.00 35.16 O +ATOM 727 CB GLU D 21 -5.676 -8.231 25.976 1.00 30.82 C +ATOM 728 CG GLU D 21 -6.328 -8.903 24.704 1.00 28.80 C +ATOM 729 CD GLU D 21 -7.640 -8.298 24.154 1.00 25.67 C +ATOM 730 OE1 GLU D 21 -7.943 -7.124 24.362 1.00 22.48 O +ATOM 731 OE2 GLU D 21 -8.376 -9.015 23.481 1.00 25.62 O +ATOM 732 N ARG D 22 -5.058 -5.418 27.787 1.00 28.54 N +ATOM 733 CA ARG D 22 -5.572 -4.384 28.678 1.00 23.54 C +ATOM 734 C ARG D 22 -5.630 -3.121 27.830 1.00 22.29 C +ATOM 735 O ARG D 22 -6.613 -2.409 27.887 1.00 25.00 O +ATOM 736 CB ARG D 22 -4.610 -4.257 29.881 1.00 23.78 C +ATOM 737 CG ARG D 22 -4.221 -5.626 30.509 1.00 26.49 C +ATOM 738 CD ARG D 22 -3.406 -5.628 31.845 1.00 30.38 C +ATOM 739 NE ARG D 22 -1.972 -5.376 31.766 1.00 30.03 N +ATOM 740 CZ ARG D 22 -1.331 -4.349 32.355 1.00 28.70 C +ATOM 741 NH1 ARG D 22 -1.940 -3.415 33.094 1.00 22.51 N +ATOM 742 NH2 ARG D 22 -0.013 -4.252 32.121 1.00 28.71 N +ATOM 743 N GLY D 23 -4.661 -2.881 26.947 1.00 22.83 N +ATOM 744 CA GLY D 23 -4.732 -1.779 26.009 1.00 20.61 C +ATOM 745 C GLY D 23 -3.995 -0.594 26.510 1.00 19.01 C +ATOM 746 O GLY D 23 -3.492 -0.637 27.616 1.00 24.10 O +ATOM 747 N PHE D 24 -3.832 0.511 25.822 1.00 18.62 N +ATOM 748 CA PHE D 24 -3.082 1.616 26.396 1.00 15.20 C +ATOM 749 C PHE D 24 -3.698 2.887 25.911 1.00 17.76 C +ATOM 750 O PHE D 24 -4.580 2.867 25.057 1.00 19.79 O +ATOM 751 CB PHE D 24 -1.598 1.504 25.976 1.00 16.47 C +ATOM 752 CG PHE D 24 -1.222 1.626 24.482 1.00 19.15 C +ATOM 753 CD1 PHE D 24 -1.026 2.875 23.890 1.00 15.63 C +ATOM 754 CD2 PHE D 24 -1.024 0.482 23.709 1.00 16.75 C +ATOM 755 CE1 PHE D 24 -0.643 2.968 22.578 1.00 10.94 C +ATOM 756 CE2 PHE D 24 -0.634 0.592 22.386 1.00 14.21 C +ATOM 757 CZ PHE D 24 -0.448 1.836 21.837 1.00 10.80 C +ATOM 758 N PHE D 25 -3.266 4.010 26.444 1.00 21.13 N +ATOM 759 CA PHE D 25 -3.766 5.305 26.014 1.00 24.19 C +ATOM 760 C PHE D 25 -2.527 6.091 25.859 1.00 20.09 C +ATOM 761 O PHE D 25 -1.743 6.159 26.777 1.00 19.74 O +ATOM 762 CB PHE D 25 -4.664 6.041 27.039 1.00 30.45 C +ATOM 763 CG PHE D 25 -4.138 6.311 28.469 1.00 42.02 C +ATOM 764 CD1 PHE D 25 -3.709 5.268 29.306 1.00 43.12 C +ATOM 765 CD2 PHE D 25 -4.166 7.608 28.975 1.00 43.05 C +ATOM 766 CE1 PHE D 25 -3.322 5.523 30.617 1.00 43.15 C +ATOM 767 CE2 PHE D 25 -3.778 7.853 30.286 1.00 42.59 C +ATOM 768 CZ PHE D 25 -3.360 6.819 31.112 1.00 43.44 C +ATOM 769 N TYR D 26 -2.265 6.566 24.675 1.00 22.28 N +ATOM 770 CA TYR D 26 -1.101 7.384 24.451 1.00 25.42 C +ATOM 771 C TYR D 26 -1.534 8.750 24.965 1.00 32.03 C +ATOM 772 O TYR D 26 -1.954 9.579 24.138 1.00 31.92 O +ATOM 773 CB TYR D 26 -0.692 7.521 22.935 1.00 17.53 C +ATOM 774 CG TYR D 26 0.648 8.207 22.768 1.00 19.18 C +ATOM 775 CD1 TYR D 26 1.744 7.951 23.626 1.00 24.36 C +ATOM 776 CD2 TYR D 26 0.807 9.118 21.763 1.00 15.47 C +ATOM 777 CE1 TYR D 26 2.961 8.619 23.527 1.00 18.43 C +ATOM 778 CE2 TYR D 26 2.022 9.778 21.661 1.00 15.56 C +ATOM 779 CZ TYR D 26 3.083 9.540 22.511 1.00 14.24 C +ATOM 780 OH TYR D 26 4.248 10.268 22.363 1.00 16.02 O +ATOM 781 N THR D 27 -1.468 8.891 26.325 1.00 38.03 N +ATOM 782 CA THR D 27 -1.699 10.108 27.106 1.00 38.87 C +ATOM 783 C THR D 27 -0.681 11.079 26.488 1.00 38.55 C +ATOM 784 O THR D 27 0.509 11.020 26.822 1.00 40.08 O +ATOM 785 CB THR D 27 -1.457 9.773 28.679 1.00 41.35 C +ATOM 786 OG1 THR D 27 -1.575 10.977 29.460 1.00 41.09 O +ATOM 787 CG2 THR D 27 -0.117 9.137 28.941 1.00 39.65 C +ATOM 788 N PRO D 28 -1.168 11.914 25.563 1.00 36.56 N +ATOM 789 CA PRO D 28 -0.402 12.425 24.437 1.00 35.18 C +ATOM 790 C PRO D 28 0.876 13.201 24.727 1.00 35.53 C +ATOM 791 O PRO D 28 1.487 13.205 25.809 1.00 38.17 O +ATOM 792 CB PRO D 28 -1.400 13.248 23.661 1.00 36.26 C +ATOM 793 CG PRO D 28 -2.671 13.435 24.513 1.00 36.20 C +ATOM 794 CD PRO D 28 -2.537 12.409 25.637 1.00 34.56 C +ATOM 795 N LYS D 29 1.333 13.892 23.705 1.00 38.05 N +ATOM 796 CA LYS D 29 2.459 14.786 23.889 1.00 39.95 C +ATOM 797 C LYS D 29 2.102 15.895 24.926 1.00 39.94 C +ATOM 798 O LYS D 29 0.941 16.254 25.127 1.00 35.36 O +ATOM 799 CB LYS D 29 2.823 15.362 22.474 1.00 40.34 C +ATOM 800 CG LYS D 29 4.264 15.900 22.212 1.00 40.89 C +ATOM 801 CD LYS D 29 4.510 16.696 20.898 1.00 42.36 C +ATOM 802 CE LYS D 29 4.126 18.199 20.953 1.00 43.54 C +ATOM 803 NZ LYS D 29 2.685 18.474 21.055 1.00 46.48 N +ATOM 804 N ALA D 30 3.177 16.293 25.642 1.00 42.44 N +ATOM 805 CA ALA D 30 3.321 17.448 26.577 1.00 42.96 C +ATOM 806 C ALA D 30 4.411 18.408 25.993 1.00 43.36 C +ATOM 807 O ALA D 30 5.408 17.918 25.413 1.00 42.13 O +ATOM 808 CB ALA D 30 3.835 17.057 27.980 1.00 40.82 C +ATOM 809 OXT ALA D 30 4.215 19.634 26.083 1.00 45.13 O +TER 810 ALA D 30 +ATOM 811 N GLY E 1 5.502 -5.632 -9.640 1.00 34.98 N +ATOM 812 CA GLY E 1 6.290 -4.534 -9.088 1.00 36.53 C +ATOM 813 C GLY E 1 7.276 -5.145 -8.098 1.00 35.08 C +ATOM 814 O GLY E 1 7.491 -6.362 -8.220 1.00 35.83 O +ATOM 815 N ILE E 2 7.859 -4.434 -7.117 1.00 33.19 N +ATOM 816 CA ILE E 2 8.658 -5.115 -6.085 1.00 29.40 C +ATOM 817 C ILE E 2 7.817 -6.150 -5.282 1.00 27.61 C +ATOM 818 O ILE E 2 8.268 -7.267 -5.042 1.00 29.51 O +ATOM 819 CB ILE E 2 9.294 -3.995 -5.178 1.00 31.25 C +ATOM 820 CG1 ILE E 2 10.295 -4.669 -4.233 1.00 31.65 C +ATOM 821 CG2 ILE E 2 8.221 -3.162 -4.459 1.00 24.94 C +ATOM 822 CD1 ILE E 2 11.135 -3.730 -3.317 1.00 32.10 C +ATOM 823 N VAL E 3 6.509 -5.918 -5.061 1.00 26.02 N +ATOM 824 CA VAL E 3 5.599 -6.744 -4.267 1.00 23.92 C +ATOM 825 C VAL E 3 5.412 -8.184 -4.765 1.00 28.84 C +ATOM 826 O VAL E 3 5.066 -9.110 -4.030 1.00 31.22 O +ATOM 827 CB VAL E 3 4.183 -6.030 -4.153 1.00 18.31 C +ATOM 828 CG1 VAL E 3 4.314 -4.506 -4.042 1.00 11.32 C +ATOM 829 CG2 VAL E 3 3.349 -6.376 -5.352 1.00 19.18 C +ATOM 830 N GLU E 4 5.607 -8.423 -6.055 1.00 32.20 N +ATOM 831 CA GLU E 4 5.523 -9.757 -6.602 1.00 30.93 C +ATOM 832 C GLU E 4 6.846 -10.449 -6.326 1.00 29.76 C +ATOM 833 O GLU E 4 6.818 -11.571 -5.846 1.00 28.53 O +ATOM 834 CB GLU E 4 5.286 -9.717 -8.102 1.00 32.85 C +ATOM 835 CG GLU E 4 4.896 -11.091 -8.688 1.00 39.37 C +ATOM 836 CD GLU E 4 5.864 -11.935 -9.553 1.00 41.87 C +ATOM 837 OE1 GLU E 4 7.096 -11.710 -9.612 1.00 44.43 O +ATOM 838 OE2 GLU E 4 5.336 -12.859 -10.192 1.00 45.35 O +ATOM 839 N GLN E 5 8.025 -9.856 -6.589 1.00 27.14 N +ATOM 840 CA GLN E 5 9.248 -10.615 -6.382 1.00 26.20 C +ATOM 841 C GLN E 5 9.790 -10.800 -4.955 1.00 26.53 C +ATOM 842 O GLN E 5 10.357 -11.844 -4.605 1.00 24.58 O +ATOM 843 CB GLN E 5 10.342 -10.020 -7.316 1.00 24.97 C +ATOM 844 CG GLN E 5 10.557 -8.553 -7.632 1.00 25.93 C +ATOM 845 CD GLN E 5 11.958 -8.341 -8.198 1.00 29.41 C +ATOM 846 OE1 GLN E 5 12.992 -8.362 -7.537 1.00 29.14 O +ATOM 847 NE2 GLN E 5 12.149 -7.904 -9.422 1.00 33.09 N +ATOM 848 N CYS E 6 9.478 -9.827 -4.091 1.00 27.23 N +ATOM 849 CA CYS E 6 9.975 -9.755 -2.708 1.00 22.79 C +ATOM 850 C CYS E 6 9.003 -10.017 -1.539 1.00 20.33 C +ATOM 851 O CYS E 6 9.444 -10.270 -0.426 1.00 16.79 O +ATOM 852 CB CYS E 6 10.661 -8.364 -2.599 1.00 25.35 C +ATOM 853 SG CYS E 6 12.062 -8.127 -3.760 1.00 20.89 S +ATOM 854 N CYS E 7 7.670 -10.020 -1.719 1.00 18.26 N +ATOM 855 CA CYS E 7 6.723 -10.382 -0.654 1.00 16.84 C +ATOM 856 C CYS E 7 6.341 -11.883 -0.724 1.00 18.27 C +ATOM 857 O CYS E 7 5.632 -12.493 0.079 1.00 12.31 O +ATOM 858 CB CYS E 7 5.478 -9.524 -0.773 1.00 16.89 C +ATOM 859 SG CYS E 7 5.762 -7.752 -0.598 1.00 16.35 S +ATOM 860 N THR E 8 6.974 -12.604 -1.632 1.00 22.47 N +ATOM 861 CA THR E 8 6.695 -13.980 -1.856 1.00 23.53 C +ATOM 862 C THR E 8 7.662 -15.003 -1.251 1.00 23.71 C +ATOM 863 O THR E 8 7.236 -16.005 -0.621 1.00 25.37 O +ATOM 864 CB THR E 8 6.575 -13.980 -3.326 1.00 23.05 C +ATOM 865 OG1 THR E 8 6.123 -15.280 -3.487 1.00 33.95 O +ATOM 866 CG2 THR E 8 7.776 -13.826 -4.206 1.00 36.01 C +ATOM 867 N SER E 9 8.917 -14.827 -1.631 1.00 21.70 N +ATOM 868 CA SER E 9 10.117 -15.423 -1.075 1.00 22.81 C +ATOM 869 C SER E 9 10.847 -14.131 -0.721 1.00 23.29 C +ATOM 870 O SER E 9 10.493 -13.043 -1.204 1.00 23.20 O +ATOM 871 CB SER E 9 10.967 -16.141 -2.087 1.00 25.91 C +ATOM 872 OG SER E 9 10.511 -17.451 -2.469 1.00 33.66 O +ATOM 873 N ILE E 10 11.810 -14.266 0.172 1.00 23.88 N +ATOM 874 CA ILE E 10 12.591 -13.138 0.667 1.00 22.63 C +ATOM 875 C ILE E 10 13.542 -12.654 -0.412 1.00 22.46 C +ATOM 876 O ILE E 10 14.148 -13.451 -1.127 1.00 25.02 O +ATOM 877 CB ILE E 10 13.458 -13.525 1.879 1.00 21.71 C +ATOM 878 CG1 ILE E 10 12.806 -14.542 2.796 1.00 21.24 C +ATOM 879 CG2 ILE E 10 13.706 -12.232 2.632 1.00 23.21 C +ATOM 880 CD1 ILE E 10 13.802 -15.184 3.782 1.00 19.16 C +ATOM 881 N CYS E 11 13.738 -11.374 -0.583 1.00 23.46 N +ATOM 882 CA CYS E 11 14.714 -10.945 -1.536 1.00 22.89 C +ATOM 883 C CYS E 11 16.094 -10.817 -0.888 1.00 23.59 C +ATOM 884 O CYS E 11 16.239 -10.458 0.282 1.00 24.94 O +ATOM 885 CB CYS E 11 14.173 -9.650 -2.114 1.00 24.68 C +ATOM 886 SG CYS E 11 13.046 -9.861 -3.521 1.00 23.71 S +ATOM 887 N SER E 12 17.160 -11.196 -1.613 1.00 27.26 N +ATOM 888 CA SER E 12 18.540 -11.054 -1.147 1.00 27.07 C +ATOM 889 C SER E 12 18.832 -9.569 -1.265 1.00 26.90 C +ATOM 890 O SER E 12 18.130 -8.861 -2.008 1.00 27.66 O +ATOM 891 CB SER E 12 19.519 -11.799 -2.030 1.00 28.71 C +ATOM 892 OG SER E 12 19.751 -11.057 -3.243 1.00 34.98 O +ATOM 893 N LEU E 13 19.915 -9.068 -0.672 1.00 26.15 N +ATOM 894 CA LEU E 13 20.105 -7.642 -0.756 1.00 27.48 C +ATOM 895 C LEU E 13 20.511 -7.207 -2.157 1.00 28.28 C +ATOM 896 O LEU E 13 20.313 -6.033 -2.479 1.00 27.09 O +ATOM 897 CB LEU E 13 21.078 -7.257 0.366 1.00 30.90 C +ATOM 898 CG LEU E 13 20.248 -7.094 1.712 1.00 33.58 C +ATOM 899 CD1 LEU E 13 20.093 -8.415 2.440 1.00 31.62 C +ATOM 900 CD2 LEU E 13 20.956 -6.189 2.691 1.00 33.98 C +ATOM 901 N TYR E 14 20.897 -8.146 -3.065 1.00 27.63 N +ATOM 902 CA TYR E 14 21.049 -7.828 -4.521 1.00 28.85 C +ATOM 903 C TYR E 14 19.645 -7.626 -5.210 1.00 25.10 C +ATOM 904 O TYR E 14 19.437 -6.742 -6.076 1.00 24.73 O +ATOM 905 CB TYR E 14 21.861 -8.977 -5.290 1.00 28.64 C +ATOM 906 CG TYR E 14 21.849 -8.890 -6.833 1.00 32.80 C +ATOM 907 CD1 TYR E 14 22.014 -7.670 -7.491 1.00 33.34 C +ATOM 908 CD2 TYR E 14 21.637 -10.022 -7.618 1.00 35.17 C +ATOM 909 CE1 TYR E 14 21.964 -7.567 -8.883 1.00 34.51 C +ATOM 910 CE2 TYR E 14 21.594 -9.922 -9.012 1.00 34.04 C +ATOM 911 CZ TYR E 14 21.761 -8.694 -9.661 1.00 33.78 C +ATOM 912 OH TYR E 14 21.772 -8.595 -11.067 1.00 29.56 O +ATOM 913 N GLN E 15 18.632 -8.448 -4.883 1.00 19.86 N +ATOM 914 CA GLN E 15 17.310 -8.163 -5.374 1.00 16.21 C +ATOM 915 C GLN E 15 16.855 -6.809 -4.926 1.00 16.66 C +ATOM 916 O GLN E 15 16.314 -6.092 -5.737 1.00 17.12 O +ATOM 917 CB GLN E 15 16.400 -9.179 -4.879 1.00 13.90 C +ATOM 918 CG GLN E 15 16.433 -10.210 -5.928 1.00 18.74 C +ATOM 919 CD GLN E 15 16.152 -11.487 -5.232 1.00 21.11 C +ATOM 920 OE1 GLN E 15 17.031 -11.978 -4.527 1.00 24.58 O +ATOM 921 NE2 GLN E 15 14.935 -12.017 -5.322 1.00 26.22 N +ATOM 922 N LEU E 16 17.157 -6.386 -3.701 1.00 18.23 N +ATOM 923 CA LEU E 16 16.722 -5.099 -3.228 1.00 17.51 C +ATOM 924 C LEU E 16 17.435 -3.958 -3.868 1.00 17.60 C +ATOM 925 O LEU E 16 16.790 -2.941 -4.112 1.00 19.52 O +ATOM 926 CB LEU E 16 16.875 -4.982 -1.708 1.00 18.31 C +ATOM 927 CG LEU E 16 15.997 -5.979 -0.975 1.00 22.06 C +ATOM 928 CD1 LEU E 16 16.100 -5.878 0.547 1.00 22.65 C +ATOM 929 CD2 LEU E 16 14.592 -5.718 -1.448 1.00 23.80 C +ATOM 930 N GLU E 17 18.714 -4.072 -4.201 1.00 21.30 N +ATOM 931 CA GLU E 17 19.490 -2.986 -4.854 1.00 22.72 C +ATOM 932 C GLU E 17 18.982 -2.605 -6.273 1.00 22.85 C +ATOM 933 O GLU E 17 19.118 -1.454 -6.703 1.00 25.48 O +ATOM 934 CB GLU E 17 20.953 -3.458 -4.895 1.00 26.47 C +ATOM 935 CG GLU E 17 22.174 -2.534 -4.881 1.00 30.45 C +ATOM 936 CD GLU E 17 23.431 -3.332 -5.231 1.00 33.08 C +ATOM 937 OE1 GLU E 17 23.921 -4.083 -4.376 1.00 30.62 O +ATOM 938 OE2 GLU E 17 23.905 -3.212 -6.373 1.00 37.70 O +ATOM 939 N ASN E 18 18.326 -3.487 -7.022 1.00 17.80 N +ATOM 940 CA ASN E 18 17.719 -3.155 -8.300 1.00 19.11 C +ATOM 941 C ASN E 18 16.738 -2.011 -8.238 1.00 19.29 C +ATOM 942 O ASN E 18 16.399 -1.382 -9.240 1.00 22.26 O +ATOM 943 CB ASN E 18 17.004 -4.399 -8.861 1.00 21.60 C +ATOM 944 CG ASN E 18 18.013 -5.507 -9.187 1.00 25.23 C +ATOM 945 OD1 ASN E 18 19.220 -5.387 -8.941 1.00 29.17 O +ATOM 946 ND2 ASN E 18 17.601 -6.643 -9.734 1.00 25.67 N +ATOM 947 N TYR E 19 16.255 -1.712 -7.037 1.00 19.33 N +ATOM 948 CA TYR E 19 15.282 -0.653 -6.795 1.00 19.06 C +ATOM 949 C TYR E 19 15.869 0.562 -6.139 1.00 21.50 C +ATOM 950 O TYR E 19 15.130 1.412 -5.621 1.00 25.29 O +ATOM 951 CB TYR E 19 14.126 -1.112 -5.904 1.00 11.70 C +ATOM 952 CG TYR E 19 13.499 -2.306 -6.561 1.00 10.83 C +ATOM 953 CD1 TYR E 19 12.603 -2.128 -7.575 1.00 11.54 C +ATOM 954 CD2 TYR E 19 13.928 -3.556 -6.173 1.00 10.23 C +ATOM 955 CE1 TYR E 19 12.097 -3.244 -8.153 1.00 10.23 C +ATOM 956 CE2 TYR E 19 13.431 -4.668 -6.737 1.00 12.19 C +ATOM 957 CZ TYR E 19 12.536 -4.471 -7.726 1.00 10.78 C +ATOM 958 OH TYR E 19 12.050 -5.586 -8.316 1.00 18.54 O +ATOM 959 N CYS E 20 17.175 0.710 -6.105 1.00 22.23 N +ATOM 960 CA CYS E 20 17.618 1.943 -5.519 1.00 23.76 C +ATOM 961 C CYS E 20 17.500 2.976 -6.649 1.00 22.82 C +ATOM 962 O CYS E 20 16.983 2.686 -7.743 1.00 25.87 O +ATOM 963 CB CYS E 20 19.062 1.699 -4.998 1.00 27.08 C +ATOM 964 SG CYS E 20 19.315 0.554 -3.582 1.00 28.66 S +ATOM 965 N ASN E 21 17.750 4.249 -6.393 1.00 22.46 N +ATOM 966 CA ASN E 21 18.085 5.133 -7.511 1.00 21.37 C +ATOM 967 C ASN E 21 19.601 4.960 -7.759 1.00 22.07 C +ATOM 968 O ASN E 21 20.249 4.149 -7.088 1.00 22.25 O +ATOM 969 CB ASN E 21 17.736 6.604 -7.192 1.00 19.04 C +ATOM 970 CG ASN E 21 16.238 6.774 -7.092 1.00 19.78 C +ATOM 971 OD1 ASN E 21 15.727 7.593 -6.332 1.00 19.58 O +ATOM 972 ND2 ASN E 21 15.426 6.003 -7.818 1.00 25.53 N +ATOM 973 OXT ASN E 21 20.132 5.562 -8.676 1.00 22.50 O +TER 974 ASN E 21 +ATOM 975 N PHE F 1 -3.373 -7.759 -0.758 1.00 30.89 N +ATOM 976 CA PHE F 1 -3.983 -6.648 -0.033 1.00 28.72 C +ATOM 977 C PHE F 1 -3.489 -6.453 1.432 1.00 27.86 C +ATOM 978 O PHE F 1 -2.373 -5.931 1.509 1.00 27.91 O +ATOM 979 CB PHE F 1 -5.520 -6.789 -0.053 1.00 33.55 C +ATOM 980 CG PHE F 1 -6.126 -8.057 0.544 1.00 35.03 C +ATOM 981 CD1 PHE F 1 -6.015 -9.257 -0.172 1.00 37.01 C +ATOM 982 CD2 PHE F 1 -6.779 -8.001 1.779 1.00 33.20 C +ATOM 983 CE1 PHE F 1 -6.570 -10.406 0.371 1.00 35.73 C +ATOM 984 CE2 PHE F 1 -7.319 -9.145 2.301 1.00 34.83 C +ATOM 985 CZ PHE F 1 -7.217 -10.338 1.601 1.00 36.72 C +ATOM 986 N VAL F 2 -4.068 -6.779 2.628 1.00 23.48 N +ATOM 987 CA VAL F 2 -3.452 -6.465 3.914 1.00 18.78 C +ATOM 988 C VAL F 2 -2.186 -7.314 4.163 1.00 19.31 C +ATOM 989 O VAL F 2 -1.276 -6.988 4.934 1.00 17.19 O +ATOM 990 CB VAL F 2 -4.578 -6.609 4.965 1.00 12.67 C +ATOM 991 CG1 VAL F 2 -4.736 -8.031 5.404 1.00 12.03 C +ATOM 992 CG2 VAL F 2 -4.274 -5.633 6.095 1.00 11.61 C +ATOM 993 N ASN F 3 -2.027 -8.385 3.390 1.00 17.82 N +ATOM 994 CA ASN F 3 -0.769 -9.095 3.390 1.00 15.44 C +ATOM 995 C ASN F 3 0.262 -8.218 2.716 1.00 18.87 C +ATOM 996 O ASN F 3 1.436 -8.286 3.073 1.00 18.90 O +ATOM 997 CB ASN F 3 -0.845 -10.410 2.607 1.00 17.73 C +ATOM 998 CG ASN F 3 -1.268 -10.477 1.127 1.00 17.03 C +ATOM 999 OD1 ASN F 3 -1.707 -9.528 0.419 1.00 15.40 O +ATOM 1000 ND2 ASN F 3 -1.207 -11.717 0.665 1.00 11.76 N +ATOM 1001 N GLN F 4 -0.142 -7.378 1.733 1.00 20.23 N +ATOM 1002 CA GLN F 4 0.750 -6.524 0.923 1.00 18.52 C +ATOM 1003 C GLN F 4 1.001 -5.177 1.584 1.00 14.62 C +ATOM 1004 O GLN F 4 2.061 -4.594 1.429 1.00 14.19 O +ATOM 1005 CB GLN F 4 0.136 -6.335 -0.508 1.00 18.15 C +ATOM 1006 CG GLN F 4 0.793 -5.325 -1.458 1.00 23.26 C +ATOM 1007 CD GLN F 4 -0.218 -4.658 -2.390 1.00 31.69 C +ATOM 1008 OE1 GLN F 4 -1.273 -5.230 -2.701 1.00 35.46 O +ATOM 1009 NE2 GLN F 4 0.020 -3.440 -2.879 1.00 32.84 N +ATOM 1010 N HIS F 5 0.043 -4.622 2.294 1.00 14.29 N +ATOM 1011 CA HIS F 5 0.233 -3.394 3.055 1.00 14.34 C +ATOM 1012 C HIS F 5 1.208 -3.705 4.156 1.00 15.46 C +ATOM 1013 O HIS F 5 2.061 -2.902 4.455 1.00 18.68 O +ATOM 1014 CB HIS F 5 -1.043 -2.897 3.725 1.00 11.71 C +ATOM 1015 CG HIS F 5 -0.944 -1.477 4.231 1.00 12.08 C +ATOM 1016 ND1 HIS F 5 -0.707 -1.066 5.465 1.00 16.78 N +ATOM 1017 CD2 HIS F 5 -0.994 -0.366 3.435 1.00 16.56 C +ATOM 1018 CE1 HIS F 5 -0.596 0.247 5.429 1.00 19.21 C +ATOM 1019 NE2 HIS F 5 -0.767 0.662 4.208 1.00 17.30 N +ATOM 1020 N LEU F 6 1.110 -4.841 4.809 1.00 17.78 N +ATOM 1021 CA LEU F 6 2.023 -5.200 5.856 1.00 17.74 C +ATOM 1022 C LEU F 6 3.446 -5.507 5.335 1.00 20.20 C +ATOM 1023 O LEU F 6 4.393 -5.074 6.025 1.00 24.14 O +ATOM 1024 CB LEU F 6 1.305 -6.366 6.612 1.00 16.16 C +ATOM 1025 CG LEU F 6 0.794 -6.137 8.052 1.00 10.82 C +ATOM 1026 CD1 LEU F 6 0.179 -4.757 8.228 1.00 11.23 C +ATOM 1027 CD2 LEU F 6 -0.060 -7.302 8.369 1.00 13.42 C +ATOM 1028 N CYS F 7 3.679 -6.253 4.223 1.00 17.67 N +ATOM 1029 CA CYS F 7 4.979 -6.491 3.586 1.00 13.45 C +ATOM 1030 C CYS F 7 5.630 -5.200 3.120 1.00 13.93 C +ATOM 1031 O CYS F 7 6.694 -4.849 3.610 1.00 20.48 O +ATOM 1032 CB CYS F 7 4.765 -7.454 2.396 1.00 12.00 C +ATOM 1033 SG CYS F 7 6.186 -7.899 1.364 1.00 22.33 S +ATOM 1034 N GLY F 8 5.081 -4.366 2.268 1.00 11.22 N +ATOM 1035 CA GLY F 8 5.753 -3.182 1.778 1.00 10.86 C +ATOM 1036 C GLY F 8 6.305 -2.228 2.786 1.00 11.86 C +ATOM 1037 O GLY F 8 7.199 -1.454 2.505 1.00 10.93 O +ATOM 1038 N SER F 9 5.812 -2.196 4.002 1.00 16.10 N +ATOM 1039 CA SER F 9 6.317 -1.286 5.064 1.00 14.99 C +ATOM 1040 C SER F 9 7.612 -1.905 5.524 1.00 16.06 C +ATOM 1041 O SER F 9 8.575 -1.186 5.782 1.00 17.62 O +ATOM 1042 CB SER F 9 5.271 -1.130 6.261 1.00 10.56 C +ATOM 1043 OG SER F 9 4.641 -2.273 6.827 1.00 11.17 O +ATOM 1044 N HIS F 10 7.699 -3.240 5.635 1.00 14.16 N +ATOM 1045 CA HIS F 10 8.986 -3.821 5.870 1.00 14.67 C +ATOM 1046 C HIS F 10 9.908 -3.614 4.717 1.00 17.68 C +ATOM 1047 O HIS F 10 11.077 -3.432 4.996 1.00 22.68 O +ATOM 1048 CB HIS F 10 9.011 -5.248 6.006 1.00 15.37 C +ATOM 1049 CG HIS F 10 8.546 -5.543 7.348 1.00 19.31 C +ATOM 1050 ND1 HIS F 10 9.259 -5.600 8.434 1.00 22.08 N +ATOM 1051 CD2 HIS F 10 7.254 -5.765 7.661 1.00 24.69 C +ATOM 1052 CE1 HIS F 10 8.441 -5.844 9.403 1.00 26.07 C +ATOM 1053 NE2 HIS F 10 7.242 -5.944 8.935 1.00 23.82 N +ATOM 1054 N LEU F 11 9.456 -3.620 3.473 1.00 18.59 N +ATOM 1055 CA LEU F 11 10.303 -3.449 2.309 1.00 16.15 C +ATOM 1056 C LEU F 11 10.801 -2.039 2.156 1.00 17.20 C +ATOM 1057 O LEU F 11 11.900 -1.813 1.675 1.00 23.63 O +ATOM 1058 CB LEU F 11 9.546 -3.799 1.069 1.00 19.00 C +ATOM 1059 CG LEU F 11 9.422 -5.216 0.687 1.00 21.71 C +ATOM 1060 CD1 LEU F 11 8.493 -5.342 -0.512 1.00 27.06 C +ATOM 1061 CD2 LEU F 11 10.779 -5.733 0.316 1.00 21.50 C +ATOM 1062 N VAL F 12 10.073 -1.035 2.536 1.00 14.15 N +ATOM 1063 CA VAL F 12 10.551 0.328 2.460 1.00 13.92 C +ATOM 1064 C VAL F 12 11.712 0.527 3.452 1.00 14.53 C +ATOM 1065 O VAL F 12 12.710 1.122 3.067 1.00 10.33 O +ATOM 1066 CB VAL F 12 9.183 1.033 2.643 1.00 18.50 C +ATOM 1067 CG1 VAL F 12 9.193 2.313 3.408 1.00 19.84 C +ATOM 1068 CG2 VAL F 12 8.687 1.271 1.235 1.00 15.85 C +ATOM 1069 N GLU F 13 11.631 -0.052 4.669 1.00 15.12 N +ATOM 1070 CA GLU F 13 12.643 -0.165 5.762 1.00 13.99 C +ATOM 1071 C GLU F 13 13.876 -0.720 5.094 1.00 11.43 C +ATOM 1072 O GLU F 13 14.862 -0.055 5.028 1.00 10.76 O +ATOM 1073 CB GLU F 13 12.126 -1.182 6.926 1.00 20.50 C +ATOM 1074 CG GLU F 13 12.921 -2.373 7.674 1.00 20.09 C +ATOM 1075 CD GLU F 13 12.162 -3.587 8.294 1.00 24.95 C +ATOM 1076 OE1 GLU F 13 11.096 -3.371 8.902 1.00 23.01 O +ATOM 1077 OE2 GLU F 13 12.639 -4.746 8.205 1.00 17.67 O +ATOM 1078 N ALA F 14 13.843 -1.915 4.547 1.00 12.59 N +ATOM 1079 CA ALA F 14 14.881 -2.597 3.762 1.00 15.88 C +ATOM 1080 C ALA F 14 15.370 -1.926 2.453 1.00 18.67 C +ATOM 1081 O ALA F 14 16.569 -2.005 2.155 1.00 21.38 O +ATOM 1082 CB ALA F 14 14.368 -4.018 3.425 1.00 10.12 C +ATOM 1083 N LEU F 15 14.582 -1.268 1.592 1.00 17.32 N +ATOM 1084 CA LEU F 15 15.181 -0.587 0.490 1.00 15.23 C +ATOM 1085 C LEU F 15 15.839 0.631 1.115 1.00 15.68 C +ATOM 1086 O LEU F 15 16.960 0.963 0.760 1.00 17.22 O +ATOM 1087 CB LEU F 15 14.117 -0.230 -0.520 1.00 13.18 C +ATOM 1088 CG LEU F 15 13.374 -1.197 -1.476 1.00 15.14 C +ATOM 1089 CD1 LEU F 15 12.312 -0.421 -2.267 1.00 10.47 C +ATOM 1090 CD2 LEU F 15 14.335 -1.806 -2.454 1.00 16.37 C +ATOM 1091 N TYR F 16 15.311 1.307 2.115 1.00 16.37 N +ATOM 1092 CA TYR F 16 15.988 2.454 2.768 1.00 19.01 C +ATOM 1093 C TYR F 16 17.442 2.242 3.212 1.00 20.71 C +ATOM 1094 O TYR F 16 18.290 3.119 3.101 1.00 25.15 O +ATOM 1095 CB TYR F 16 15.212 2.909 4.051 1.00 18.62 C +ATOM 1096 CG TYR F 16 15.790 4.063 4.884 1.00 15.04 C +ATOM 1097 CD1 TYR F 16 15.894 5.302 4.322 1.00 13.90 C +ATOM 1098 CD2 TYR F 16 16.290 3.882 6.150 1.00 15.13 C +ATOM 1099 CE1 TYR F 16 16.477 6.336 4.986 1.00 10.46 C +ATOM 1100 CE2 TYR F 16 16.881 4.933 6.818 1.00 10.65 C +ATOM 1101 CZ TYR F 16 16.969 6.151 6.223 1.00 12.99 C +ATOM 1102 OH TYR F 16 17.521 7.239 6.847 1.00 13.37 O +ATOM 1103 N LEU F 17 17.751 1.085 3.741 1.00 19.74 N +ATOM 1104 CA LEU F 17 19.008 0.816 4.381 1.00 19.92 C +ATOM 1105 C LEU F 17 19.993 0.394 3.346 1.00 20.21 C +ATOM 1106 O LEU F 17 21.131 0.849 3.338 1.00 16.17 O +ATOM 1107 CB LEU F 17 18.823 -0.308 5.404 1.00 25.93 C +ATOM 1108 CG LEU F 17 18.877 -0.118 6.951 1.00 27.92 C +ATOM 1109 CD1 LEU F 17 20.236 0.449 7.330 1.00 29.32 C +ATOM 1110 CD2 LEU F 17 17.753 0.777 7.434 1.00 28.55 C +ATOM 1111 N VAL F 18 19.544 -0.499 2.466 1.00 18.79 N +ATOM 1112 CA VAL F 18 20.435 -0.961 1.419 1.00 18.96 C +ATOM 1113 C VAL F 18 20.893 0.156 0.521 1.00 19.71 C +ATOM 1114 O VAL F 18 22.056 0.083 0.152 1.00 26.09 O +ATOM 1115 CB VAL F 18 19.806 -2.093 0.533 1.00 18.56 C +ATOM 1116 CG1 VAL F 18 19.428 -3.165 1.543 1.00 14.98 C +ATOM 1117 CG2 VAL F 18 18.610 -1.699 -0.317 1.00 23.37 C +ATOM 1118 N CYS F 19 20.091 1.181 0.200 1.00 18.99 N +ATOM 1119 CA CYS F 19 20.452 2.273 -0.688 1.00 17.73 C +ATOM 1120 C CYS F 19 21.141 3.545 -0.181 1.00 20.20 C +ATOM 1121 O CYS F 19 21.755 4.262 -0.982 1.00 24.37 O +ATOM 1122 CB CYS F 19 19.212 2.735 -1.426 1.00 18.52 C +ATOM 1123 SG CYS F 19 18.241 1.398 -2.108 1.00 16.98 S +ATOM 1124 N GLY F 20 21.009 4.010 1.060 1.00 22.92 N +ATOM 1125 CA GLY F 20 21.670 5.197 1.571 1.00 23.31 C +ATOM 1126 C GLY F 20 21.537 6.475 0.757 1.00 25.93 C +ATOM 1127 O GLY F 20 20.465 7.049 0.633 1.00 26.79 O +ATOM 1128 N GLU F 21 22.662 6.898 0.172 1.00 28.09 N +ATOM 1129 CA GLU F 21 22.803 8.153 -0.583 1.00 30.28 C +ATOM 1130 C GLU F 21 21.901 8.330 -1.804 1.00 26.87 C +ATOM 1131 O GLU F 21 21.437 9.429 -2.091 1.00 29.15 O +ATOM 1132 CB GLU F 21 24.320 8.369 -1.050 1.00 33.27 C +ATOM 1133 CG GLU F 21 24.871 7.333 -2.055 1.00 36.16 C +ATOM 1134 CD GLU F 21 26.284 7.484 -2.631 1.00 38.84 C +ATOM 1135 OE1 GLU F 21 26.864 8.581 -2.567 1.00 45.72 O +ATOM 1136 OE2 GLU F 21 26.801 6.494 -3.165 1.00 35.75 O +ATOM 1137 N ARG F 22 21.691 7.219 -2.494 1.00 21.54 N +ATOM 1138 CA ARG F 22 20.918 7.123 -3.711 1.00 18.92 C +ATOM 1139 C ARG F 22 19.434 7.336 -3.468 1.00 20.52 C +ATOM 1140 O ARG F 22 18.780 8.146 -4.106 1.00 21.61 O +ATOM 1141 CB ARG F 22 21.149 5.768 -4.256 1.00 18.44 C +ATOM 1142 CG ARG F 22 22.606 5.400 -4.348 1.00 15.44 C +ATOM 1143 CD ARG F 22 22.680 3.915 -4.202 1.00 15.30 C +ATOM 1144 NE ARG F 22 22.349 3.312 -5.479 1.00 17.37 N +ATOM 1145 CZ ARG F 22 22.411 2.008 -5.695 1.00 19.68 C +ATOM 1146 NH1 ARG F 22 22.776 1.169 -4.709 1.00 20.22 N +ATOM 1147 NH2 ARG F 22 22.194 1.566 -6.931 1.00 17.50 N +ATOM 1148 N GLY F 23 18.958 6.653 -2.432 1.00 17.87 N +ATOM 1149 CA GLY F 23 17.567 6.677 -2.116 1.00 16.26 C +ATOM 1150 C GLY F 23 16.974 5.616 -2.994 1.00 19.57 C +ATOM 1151 O GLY F 23 17.720 4.760 -3.491 1.00 22.30 O +ATOM 1152 N PHE F 24 15.666 5.611 -3.214 1.00 18.04 N +ATOM 1153 CA PHE F 24 15.003 4.552 -3.972 1.00 15.08 C +ATOM 1154 C PHE F 24 13.605 4.972 -4.493 1.00 14.36 C +ATOM 1155 O PHE F 24 13.114 6.092 -4.367 1.00 14.53 O +ATOM 1156 CB PHE F 24 14.912 3.321 -3.052 1.00 12.69 C +ATOM 1157 CG PHE F 24 14.128 3.573 -1.763 1.00 16.70 C +ATOM 1158 CD1 PHE F 24 14.778 4.078 -0.659 1.00 14.15 C +ATOM 1159 CD2 PHE F 24 12.747 3.389 -1.713 1.00 13.85 C +ATOM 1160 CE1 PHE F 24 14.049 4.408 0.467 1.00 15.96 C +ATOM 1161 CE2 PHE F 24 12.025 3.720 -0.578 1.00 11.91 C +ATOM 1162 CZ PHE F 24 12.678 4.233 0.509 1.00 11.49 C +ATOM 1163 N PHE F 25 12.855 4.075 -5.064 1.00 15.55 N +ATOM 1164 CA PHE F 25 11.484 4.327 -5.443 1.00 16.00 C +ATOM 1165 C PHE F 25 10.617 3.135 -4.981 1.00 13.13 C +ATOM 1166 O PHE F 25 11.084 1.988 -4.903 1.00 12.39 O +ATOM 1167 CB PHE F 25 11.466 4.551 -6.992 1.00 15.70 C +ATOM 1168 CG PHE F 25 11.948 3.415 -7.888 1.00 11.04 C +ATOM 1169 CD1 PHE F 25 11.096 2.395 -8.253 1.00 11.39 C +ATOM 1170 CD2 PHE F 25 13.254 3.402 -8.290 1.00 11.50 C +ATOM 1171 CE1 PHE F 25 11.538 1.333 -9.026 1.00 14.36 C +ATOM 1172 CE2 PHE F 25 13.702 2.354 -9.058 1.00 12.21 C +ATOM 1173 CZ PHE F 25 12.851 1.320 -9.426 1.00 15.12 C +ATOM 1174 N TYR F 26 9.354 3.342 -4.648 1.00 11.53 N +ATOM 1175 CA TYR F 26 8.443 2.269 -4.315 1.00 14.34 C +ATOM 1176 C TYR F 26 7.198 2.595 -5.125 1.00 16.21 C +ATOM 1177 O TYR F 26 6.585 3.661 -4.935 1.00 19.07 O +ATOM 1178 CB TYR F 26 8.105 2.278 -2.843 1.00 12.44 C +ATOM 1179 CG TYR F 26 7.166 1.191 -2.389 1.00 11.30 C +ATOM 1180 CD1 TYR F 26 7.642 -0.101 -2.404 1.00 9.78 C +ATOM 1181 CD2 TYR F 26 5.896 1.474 -1.933 1.00 12.26 C +ATOM 1182 CE1 TYR F 26 6.859 -1.140 -1.938 1.00 13.39 C +ATOM 1183 CE2 TYR F 26 5.111 0.427 -1.474 1.00 10.12 C +ATOM 1184 CZ TYR F 26 5.599 -0.875 -1.474 1.00 16.40 C +ATOM 1185 OH TYR F 26 4.873 -1.948 -0.964 1.00 21.08 O +ATOM 1186 N THR F 27 6.790 1.692 -6.032 1.00 17.50 N +ATOM 1187 CA THR F 27 5.642 1.877 -6.910 1.00 19.69 C +ATOM 1188 C THR F 27 4.827 0.576 -6.947 1.00 21.46 C +ATOM 1189 O THR F 27 5.099 -0.244 -7.793 1.00 22.58 O +ATOM 1190 CB THR F 27 6.268 2.414 -8.289 1.00 17.20 C +ATOM 1191 OG1 THR F 27 7.482 1.705 -8.438 1.00 16.93 O +ATOM 1192 CG2 THR F 27 6.726 3.895 -8.324 1.00 14.16 C +ATOM 1193 N PRO F 28 3.908 0.300 -5.963 1.00 26.32 N +ATOM 1194 CA PRO F 28 3.242 -1.021 -5.685 1.00 28.08 C +ATOM 1195 C PRO F 28 2.363 -1.933 -6.608 1.00 29.75 C +ATOM 1196 O PRO F 28 2.518 -1.880 -7.842 1.00 30.19 O +ATOM 1197 CB PRO F 28 2.496 -0.718 -4.339 1.00 28.73 C +ATOM 1198 CG PRO F 28 2.490 0.739 -4.038 1.00 22.72 C +ATOM 1199 CD PRO F 28 3.576 1.293 -4.947 1.00 23.89 C +ATOM 1200 N LYS F 29 1.530 -2.825 -6.044 1.00 30.13 N +ATOM 1201 CA LYS F 29 0.629 -3.692 -6.797 1.00 32.39 C +ATOM 1202 C LYS F 29 -0.620 -2.938 -7.252 1.00 34.94 C +ATOM 1203 O LYS F 29 -1.307 -2.232 -6.480 1.00 34.37 O +ATOM 1204 CB LYS F 29 0.101 -4.932 -5.987 1.00 30.66 C +ATOM 1205 CG LYS F 29 -0.633 -5.963 -6.942 1.00 32.15 C +ATOM 1206 CD LYS F 29 -0.435 -7.534 -6.858 1.00 25.49 C +ATOM 1207 CE LYS F 29 -0.340 -8.229 -5.471 1.00 25.23 C +ATOM 1208 NZ LYS F 29 -1.280 -7.740 -4.471 1.00 18.24 N +ATOM 1209 N ALA F 30 -0.693 -3.189 -8.562 1.00 36.16 N +ATOM 1210 CA ALA F 30 -1.575 -2.551 -9.527 1.00 38.85 C +ATOM 1211 C ALA F 30 -2.579 -3.442 -10.305 1.00 40.16 C +ATOM 1212 O ALA F 30 -3.547 -2.921 -10.897 1.00 39.34 O +ATOM 1213 CB ALA F 30 -0.656 -1.833 -10.504 1.00 40.39 C +ATOM 1214 OXT ALA F 30 -2.393 -4.666 -10.279 1.00 43.43 O +TER 1215 ALA F 30 +ATOM 1216 N GLY G 1 15.876 18.728 1.191 1.00 25.21 N +ATOM 1217 CA GLY G 1 14.545 18.794 0.665 1.00 28.83 C +ATOM 1218 C GLY G 1 13.823 18.085 1.740 1.00 29.10 C +ATOM 1219 O GLY G 1 13.575 18.698 2.765 1.00 30.72 O +ATOM 1220 N ILE G 2 13.747 16.773 1.605 1.00 28.93 N +ATOM 1221 CA ILE G 2 12.899 15.987 2.485 1.00 28.19 C +ATOM 1222 C ILE G 2 13.511 15.845 3.863 1.00 29.42 C +ATOM 1223 O ILE G 2 12.806 16.024 4.839 1.00 30.94 O +ATOM 1224 CB ILE G 2 12.619 14.619 1.732 1.00 25.41 C +ATOM 1225 CG1 ILE G 2 11.357 14.001 2.327 1.00 25.70 C +ATOM 1226 CG2 ILE G 2 13.816 13.676 1.773 1.00 21.00 C +ATOM 1227 CD1 ILE G 2 11.059 12.643 1.624 1.00 28.28 C +ATOM 1228 N VAL G 3 14.824 15.624 3.968 1.00 31.97 N +ATOM 1229 CA VAL G 3 15.500 15.485 5.245 1.00 31.90 C +ATOM 1230 C VAL G 3 15.553 16.862 5.943 1.00 34.95 C +ATOM 1231 O VAL G 3 15.154 16.928 7.108 1.00 38.38 O +ATOM 1232 CB VAL G 3 16.926 14.942 5.030 1.00 31.19 C +ATOM 1233 CG1 VAL G 3 17.423 14.470 6.368 1.00 31.77 C +ATOM 1234 CG2 VAL G 3 16.979 13.752 4.108 1.00 27.03 C +ATOM 1235 N GLU G 4 16.008 17.975 5.297 1.00 35.02 N +ATOM 1236 CA GLU G 4 15.998 19.298 5.924 1.00 32.87 C +ATOM 1237 C GLU G 4 14.598 19.832 6.323 1.00 31.12 C +ATOM 1238 O GLU G 4 14.283 19.940 7.501 1.00 30.73 O +ATOM 1239 CB GLU G 4 16.637 20.390 5.039 1.00 35.04 C +ATOM 1240 CG GLU G 4 17.199 20.138 3.646 1.00 37.96 C +ATOM 1241 CD GLU G 4 17.169 21.343 2.643 1.00 39.46 C +ATOM 1242 OE1 GLU G 4 16.233 22.182 2.571 1.00 38.67 O +ATOM 1243 OE2 GLU G 4 18.116 21.418 1.864 1.00 41.31 O +ATOM 1244 N GLN G 5 13.695 20.144 5.414 1.00 26.87 N +ATOM 1245 CA GLN G 5 12.408 20.700 5.739 1.00 27.12 C +ATOM 1246 C GLN G 5 11.659 19.902 6.792 1.00 26.76 C +ATOM 1247 O GLN G 5 11.020 20.528 7.642 1.00 26.68 O +ATOM 1248 CB GLN G 5 11.611 20.797 4.407 1.00 30.26 C +ATOM 1249 CG GLN G 5 10.167 21.318 4.307 1.00 33.19 C +ATOM 1250 CD GLN G 5 9.506 20.880 2.995 1.00 35.74 C +ATOM 1251 OE1 GLN G 5 8.702 19.958 2.942 1.00 35.23 O +ATOM 1252 NE2 GLN G 5 9.730 21.501 1.841 1.00 37.54 N +ATOM 1253 N CYS G 6 11.802 18.565 6.739 1.00 25.97 N +ATOM 1254 CA CYS G 6 11.106 17.627 7.610 1.00 26.19 C +ATOM 1255 C CYS G 6 11.923 17.174 8.814 1.00 31.80 C +ATOM 1256 O CYS G 6 11.452 17.461 9.917 1.00 35.35 O +ATOM 1257 CB CYS G 6 10.669 16.400 6.840 1.00 26.77 C +ATOM 1258 SG CYS G 6 9.376 16.805 5.634 1.00 25.66 S +ATOM 1259 N CYS G 7 13.140 16.569 8.819 1.00 30.89 N +ATOM 1260 CA CYS G 7 13.846 16.335 10.098 1.00 28.21 C +ATOM 1261 C CYS G 7 14.203 17.552 10.922 1.00 26.98 C +ATOM 1262 O CYS G 7 14.866 17.379 11.934 1.00 28.85 O +ATOM 1263 CB CYS G 7 15.139 15.586 9.913 1.00 25.37 C +ATOM 1264 SG CYS G 7 14.663 14.196 8.908 1.00 30.48 S +ATOM 1265 N THR G 8 13.875 18.790 10.552 1.00 27.81 N +ATOM 1266 CA THR G 8 14.143 19.982 11.356 1.00 28.19 C +ATOM 1267 C THR G 8 12.810 20.459 12.044 1.00 33.51 C +ATOM 1268 O THR G 8 12.834 21.206 13.040 1.00 37.84 O +ATOM 1269 CB THR G 8 14.817 21.041 10.355 1.00 24.20 C +ATOM 1270 OG1 THR G 8 15.987 20.430 9.799 1.00 21.44 O +ATOM 1271 CG2 THR G 8 15.349 22.315 11.010 1.00 25.44 C +ATOM 1272 N SER G 9 11.606 20.008 11.659 1.00 32.99 N +ATOM 1273 CA SER G 9 10.342 20.489 12.186 1.00 30.35 C +ATOM 1274 C SER G 9 9.397 19.345 11.853 1.00 29.31 C +ATOM 1275 O SER G 9 9.572 18.786 10.775 1.00 30.13 O +ATOM 1276 CB SER G 9 9.859 21.758 11.441 1.00 29.48 C +ATOM 1277 OG SER G 9 10.042 23.011 12.116 1.00 33.55 O +ATOM 1278 N ILE G 10 8.372 18.965 12.615 1.00 27.50 N +ATOM 1279 CA ILE G 10 7.536 17.898 12.117 1.00 27.12 C +ATOM 1280 C ILE G 10 6.719 18.453 10.984 1.00 25.34 C +ATOM 1281 O ILE G 10 6.208 19.572 11.095 1.00 26.11 O +ATOM 1282 CB ILE G 10 6.574 17.350 13.145 1.00 27.01 C +ATOM 1283 CG1 ILE G 10 7.199 17.126 14.512 1.00 25.81 C +ATOM 1284 CG2 ILE G 10 6.167 15.984 12.596 1.00 27.91 C +ATOM 1285 CD1 ILE G 10 6.257 17.123 15.719 1.00 28.30 C +ATOM 1286 N CYS G 11 6.746 17.667 9.909 1.00 22.77 N +ATOM 1287 CA CYS G 11 5.998 17.861 8.672 1.00 20.54 C +ATOM 1288 C CYS G 11 4.622 17.221 8.908 1.00 19.12 C +ATOM 1289 O CYS G 11 4.463 16.364 9.781 1.00 20.64 O +ATOM 1290 CB CYS G 11 6.710 17.158 7.490 1.00 21.83 C +ATOM 1291 SG CYS G 11 8.172 17.945 6.793 1.00 26.02 S +ATOM 1292 N SER G 12 3.546 17.670 8.276 1.00 17.56 N +ATOM 1293 CA SER G 12 2.255 17.049 8.462 1.00 16.52 C +ATOM 1294 C SER G 12 2.205 16.004 7.384 1.00 17.41 C +ATOM 1295 O SER G 12 3.111 15.927 6.553 1.00 14.81 O +ATOM 1296 CB SER G 12 1.106 18.057 8.243 1.00 16.55 C +ATOM 1297 OG SER G 12 -0.229 17.500 8.224 1.00 21.58 O +ATOM 1298 N LEU G 13 1.093 15.260 7.319 1.00 20.91 N +ATOM 1299 CA LEU G 13 0.875 14.333 6.214 1.00 23.05 C +ATOM 1300 C LEU G 13 0.596 15.159 4.936 1.00 24.42 C +ATOM 1301 O LEU G 13 0.980 14.646 3.886 1.00 28.54 O +ATOM 1302 CB LEU G 13 -0.292 13.344 6.582 1.00 22.28 C +ATOM 1303 CG LEU G 13 -0.257 12.412 7.909 1.00 20.00 C +ATOM 1304 CD1 LEU G 13 -1.667 11.932 8.199 1.00 14.61 C +ATOM 1305 CD2 LEU G 13 0.539 11.146 7.774 1.00 14.32 C +ATOM 1306 N TYR G 14 0.111 16.440 4.865 1.00 25.14 N +ATOM 1307 CA TYR G 14 -0.075 17.142 3.567 1.00 25.54 C +ATOM 1308 C TYR G 14 1.200 17.611 3.004 1.00 23.11 C +ATOM 1309 O TYR G 14 1.330 17.626 1.780 1.00 29.19 O +ATOM 1310 CB TYR G 14 -0.998 18.409 3.561 1.00 30.04 C +ATOM 1311 CG TYR G 14 -2.293 17.917 4.152 1.00 39.03 C +ATOM 1312 CD1 TYR G 14 -2.671 16.606 3.868 1.00 44.78 C +ATOM 1313 CD2 TYR G 14 -2.995 18.603 5.124 1.00 41.21 C +ATOM 1314 CE1 TYR G 14 -3.674 15.972 4.570 1.00 48.07 C +ATOM 1315 CE2 TYR G 14 -4.021 17.970 5.806 1.00 42.37 C +ATOM 1316 CZ TYR G 14 -4.360 16.651 5.544 1.00 45.32 C +ATOM 1317 OH TYR G 14 -5.364 15.942 6.204 1.00 43.19 O +ATOM 1318 N GLN G 15 2.148 17.970 3.858 1.00 20.63 N +ATOM 1319 CA GLN G 15 3.522 18.214 3.426 1.00 17.93 C +ATOM 1320 C GLN G 15 4.173 16.946 2.944 1.00 16.18 C +ATOM 1321 O GLN G 15 4.911 16.993 2.008 1.00 19.01 O +ATOM 1322 CB GLN G 15 4.362 18.741 4.559 1.00 17.87 C +ATOM 1323 CG GLN G 15 3.980 20.149 4.914 1.00 17.62 C +ATOM 1324 CD GLN G 15 4.808 20.636 6.054 1.00 16.94 C +ATOM 1325 OE1 GLN G 15 4.675 20.089 7.137 1.00 22.56 O +ATOM 1326 NE2 GLN G 15 5.652 21.635 5.853 1.00 17.51 N +ATOM 1327 N LEU G 16 3.902 15.806 3.548 1.00 19.10 N +ATOM 1328 CA LEU G 16 4.452 14.482 3.238 1.00 21.60 C +ATOM 1329 C LEU G 16 3.959 14.021 1.881 1.00 25.14 C +ATOM 1330 O LEU G 16 4.654 13.500 0.989 1.00 24.08 O +ATOM 1331 CB LEU G 16 3.997 13.471 4.372 1.00 19.72 C +ATOM 1332 CG LEU G 16 4.932 12.998 5.538 1.00 16.81 C +ATOM 1333 CD1 LEU G 16 6.011 13.986 5.814 1.00 11.67 C +ATOM 1334 CD2 LEU G 16 4.140 12.794 6.791 1.00 13.88 C +ATOM 1335 N GLU G 17 2.660 14.298 1.777 1.00 25.66 N +ATOM 1336 CA GLU G 17 1.856 13.999 0.615 1.00 26.93 C +ATOM 1337 C GLU G 17 2.601 14.587 -0.542 1.00 25.55 C +ATOM 1338 O GLU G 17 2.857 13.879 -1.485 1.00 27.90 O +ATOM 1339 CB GLU G 17 0.488 14.641 0.824 1.00 32.32 C +ATOM 1340 CG GLU G 17 -0.574 14.436 -0.237 1.00 32.69 C +ATOM 1341 CD GLU G 17 -1.917 14.031 0.377 1.00 38.36 C +ATOM 1342 OE1 GLU G 17 -2.516 14.811 1.139 1.00 39.31 O +ATOM 1343 OE2 GLU G 17 -2.372 12.918 0.070 1.00 41.39 O +ATOM 1344 N ASN G 18 3.098 15.803 -0.482 1.00 23.32 N +ATOM 1345 CA ASN G 18 3.816 16.372 -1.620 1.00 24.82 C +ATOM 1346 C ASN G 18 5.074 15.659 -2.073 1.00 24.70 C +ATOM 1347 O ASN G 18 5.590 15.916 -3.164 1.00 21.66 O +ATOM 1348 CB ASN G 18 4.161 17.804 -1.305 1.00 26.01 C +ATOM 1349 CG ASN G 18 4.339 18.665 -2.534 1.00 28.10 C +ATOM 1350 OD1 ASN G 18 3.648 19.678 -2.744 1.00 26.72 O +ATOM 1351 ND2 ASN G 18 5.319 18.420 -3.377 1.00 32.30 N +ATOM 1352 N TYR G 19 5.633 14.778 -1.249 1.00 27.78 N +ATOM 1353 CA TYR G 19 6.771 13.971 -1.702 1.00 27.66 C +ATOM 1354 C TYR G 19 6.325 12.622 -2.264 1.00 27.39 C +ATOM 1355 O TYR G 19 7.156 11.883 -2.754 1.00 27.95 O +ATOM 1356 CB TYR G 19 7.755 13.743 -0.568 1.00 29.00 C +ATOM 1357 CG TYR G 19 8.361 15.012 0.052 1.00 26.63 C +ATOM 1358 CD1 TYR G 19 9.279 15.783 -0.639 1.00 24.73 C +ATOM 1359 CD2 TYR G 19 8.060 15.300 1.373 1.00 24.60 C +ATOM 1360 CE1 TYR G 19 9.889 16.820 0.039 1.00 27.52 C +ATOM 1361 CE2 TYR G 19 8.665 16.323 2.043 1.00 26.93 C +ATOM 1362 CZ TYR G 19 9.591 17.070 1.381 1.00 24.14 C +ATOM 1363 OH TYR G 19 10.319 17.996 2.119 1.00 26.76 O +ATOM 1364 N CYS G 20 5.045 12.238 -2.199 1.00 28.18 N +ATOM 1365 CA CYS G 20 4.468 11.102 -2.917 1.00 24.36 C +ATOM 1366 C CYS G 20 4.649 11.232 -4.416 1.00 28.36 C +ATOM 1367 O CYS G 20 5.043 12.293 -4.912 1.00 32.91 O +ATOM 1368 CB CYS G 20 3.003 11.027 -2.690 1.00 19.15 C +ATOM 1369 SG CYS G 20 2.551 10.790 -0.989 1.00 18.53 S +ATOM 1370 N ASN G 21 4.385 10.188 -5.195 1.00 29.65 N +ATOM 1371 CA ASN G 21 4.354 10.357 -6.645 1.00 28.56 C +ATOM 1372 C ASN G 21 2.926 10.793 -7.002 1.00 28.28 C +ATOM 1373 O ASN G 21 2.212 11.371 -6.157 1.00 27.94 O +ATOM 1374 CB ASN G 21 4.680 9.051 -7.379 1.00 28.44 C +ATOM 1375 CG ASN G 21 6.137 8.644 -7.429 1.00 31.69 C +ATOM 1376 OD1 ASN G 21 7.059 9.461 -7.446 1.00 34.89 O +ATOM 1377 ND2 ASN G 21 6.434 7.337 -7.471 1.00 33.59 N +ATOM 1378 OXT ASN G 21 2.512 10.560 -8.139 1.00 28.61 O +TER 1379 ASN G 21 +ATOM 1380 N PHE H 1 26.174 11.257 14.878 1.00 43.99 N +ATOM 1381 CA PHE H 1 25.743 11.665 13.555 1.00 42.86 C +ATOM 1382 C PHE H 1 24.548 10.831 13.071 1.00 42.03 C +ATOM 1383 O PHE H 1 24.047 11.097 11.989 1.00 44.45 O +ATOM 1384 CB PHE H 1 26.891 11.495 12.573 1.00 39.81 C +ATOM 1385 CG PHE H 1 26.699 12.218 11.257 1.00 36.81 C +ATOM 1386 CD1 PHE H 1 26.381 13.577 11.263 1.00 39.84 C +ATOM 1387 CD2 PHE H 1 26.854 11.509 10.074 1.00 36.09 C +ATOM 1388 CE1 PHE H 1 26.214 14.249 10.059 1.00 40.72 C +ATOM 1389 CE2 PHE H 1 26.687 12.178 8.879 1.00 39.60 C +ATOM 1390 CZ PHE H 1 26.368 13.543 8.868 1.00 41.00 C +ATOM 1391 N VAL H 2 23.935 9.896 13.812 1.00 39.07 N +ATOM 1392 CA VAL H 2 22.941 9.060 13.208 1.00 33.41 C +ATOM 1393 C VAL H 2 21.586 9.773 13.334 1.00 34.77 C +ATOM 1394 O VAL H 2 20.668 9.385 12.644 1.00 37.89 O +ATOM 1395 CB VAL H 2 23.067 7.686 13.901 1.00 29.65 C +ATOM 1396 CG1 VAL H 2 22.184 7.602 15.139 1.00 27.01 C +ATOM 1397 CG2 VAL H 2 22.691 6.645 12.893 1.00 28.49 C +ATOM 1398 N ASN H 3 21.388 10.834 14.121 1.00 35.42 N +ATOM 1399 CA ASN H 3 20.112 11.537 14.307 1.00 34.11 C +ATOM 1400 C ASN H 3 19.271 11.654 13.059 1.00 33.80 C +ATOM 1401 O ASN H 3 18.067 11.436 13.099 1.00 36.60 O +ATOM 1402 CB ASN H 3 20.386 12.962 14.875 1.00 35.58 C +ATOM 1403 CG ASN H 3 19.442 14.131 14.447 1.00 41.51 C +ATOM 1404 OD1 ASN H 3 19.907 15.241 14.146 1.00 37.84 O +ATOM 1405 ND2 ASN H 3 18.119 13.922 14.306 1.00 40.89 N +ATOM 1406 N GLN H 4 19.922 12.039 11.973 1.00 35.99 N +ATOM 1407 CA GLN H 4 19.322 12.270 10.669 1.00 35.87 C +ATOM 1408 C GLN H 4 18.977 10.979 10.013 1.00 37.62 C +ATOM 1409 O GLN H 4 17.901 10.872 9.425 1.00 39.52 O +ATOM 1410 CB GLN H 4 20.243 12.959 9.708 1.00 38.44 C +ATOM 1411 CG GLN H 4 20.791 14.252 10.234 1.00 40.74 C +ATOM 1412 CD GLN H 4 19.803 15.400 10.192 1.00 45.40 C +ATOM 1413 OE1 GLN H 4 20.153 16.447 9.638 1.00 50.86 O +ATOM 1414 NE2 GLN H 4 18.591 15.299 10.744 1.00 43.92 N +ATOM 1415 N HIS H 5 19.919 10.025 10.096 1.00 36.00 N +ATOM 1416 CA HIS H 5 19.727 8.635 9.630 1.00 34.26 C +ATOM 1417 C HIS H 5 18.481 8.063 10.277 1.00 31.19 C +ATOM 1418 O HIS H 5 17.672 7.366 9.668 1.00 33.31 O +ATOM 1419 CB HIS H 5 20.947 7.760 10.016 1.00 34.10 C +ATOM 1420 CG HIS H 5 20.768 6.260 9.853 1.00 33.86 C +ATOM 1421 ND1 HIS H 5 21.203 5.497 8.857 1.00 35.43 N +ATOM 1422 CD2 HIS H 5 20.067 5.452 10.711 1.00 33.46 C +ATOM 1423 CE1 HIS H 5 20.780 4.272 9.076 1.00 36.03 C +ATOM 1424 NE2 HIS H 5 20.097 4.258 10.202 1.00 34.25 N +ATOM 1425 N LEU H 6 18.409 8.321 11.570 1.00 28.26 N +ATOM 1426 CA LEU H 6 17.314 7.852 12.353 1.00 25.27 C +ATOM 1427 C LEU H 6 16.001 8.535 11.996 1.00 23.27 C +ATOM 1428 O LEU H 6 14.947 7.949 12.311 1.00 24.21 O +ATOM 1429 CB LEU H 6 17.687 8.063 13.780 1.00 19.69 C +ATOM 1430 CG LEU H 6 18.104 6.846 14.542 1.00 17.89 C +ATOM 1431 CD1 LEU H 6 19.192 6.060 13.867 1.00 12.13 C +ATOM 1432 CD2 LEU H 6 18.594 7.358 15.866 1.00 19.10 C +ATOM 1433 N CYS H 7 16.074 9.755 11.465 1.00 20.20 N +ATOM 1434 CA CYS H 7 14.926 10.484 10.986 1.00 21.99 C +ATOM 1435 C CYS H 7 14.600 9.928 9.609 1.00 22.95 C +ATOM 1436 O CYS H 7 13.427 9.614 9.408 1.00 26.21 O +ATOM 1437 CB CYS H 7 15.209 11.987 10.883 1.00 24.57 C +ATOM 1438 SG CYS H 7 13.824 12.977 10.293 1.00 26.80 S +ATOM 1439 N GLY H 8 15.487 9.700 8.650 1.00 21.82 N +ATOM 1440 CA GLY H 8 15.103 9.108 7.393 1.00 23.18 C +ATOM 1441 C GLY H 8 14.353 7.782 7.620 1.00 26.15 C +ATOM 1442 O GLY H 8 13.279 7.602 6.995 1.00 29.55 O +ATOM 1443 N SER H 9 14.762 6.914 8.587 1.00 20.81 N +ATOM 1444 CA SER H 9 14.053 5.659 8.772 1.00 17.57 C +ATOM 1445 C SER H 9 12.601 5.825 9.150 1.00 18.55 C +ATOM 1446 O SER H 9 11.779 4.898 9.104 1.00 24.50 O +ATOM 1447 CB SER H 9 14.699 4.780 9.816 1.00 13.62 C +ATOM 1448 OG SER H 9 15.367 5.423 10.901 1.00 19.65 O +ATOM 1449 N HIS H 10 12.263 7.028 9.577 1.00 16.42 N +ATOM 1450 CA HIS H 10 10.902 7.317 9.880 1.00 13.77 C +ATOM 1451 C HIS H 10 10.407 8.065 8.737 1.00 11.50 C +ATOM 1452 O HIS H 10 9.297 7.728 8.511 1.00 20.94 O +ATOM 1453 CB HIS H 10 10.656 8.208 11.086 1.00 15.90 C +ATOM 1454 CG HIS H 10 10.848 7.408 12.351 1.00 10.68 C +ATOM 1455 ND1 HIS H 10 9.941 6.747 13.020 1.00 11.15 N +ATOM 1456 CD2 HIS H 10 12.046 7.088 12.875 1.00 11.41 C +ATOM 1457 CE1 HIS H 10 10.528 6.021 13.891 1.00 12.02 C +ATOM 1458 NE2 HIS H 10 11.803 6.221 13.800 1.00 11.19 N +ATOM 1459 N LEU H 11 10.945 8.983 7.974 1.00 11.40 N +ATOM 1460 CA LEU H 11 10.186 9.590 6.891 1.00 13.97 C +ATOM 1461 C LEU H 11 9.736 8.498 5.964 1.00 14.57 C +ATOM 1462 O LEU H 11 8.557 8.349 5.745 1.00 17.30 O +ATOM 1463 CB LEU H 11 11.004 10.537 6.055 1.00 12.66 C +ATOM 1464 CG LEU H 11 11.030 11.970 6.443 1.00 14.89 C +ATOM 1465 CD1 LEU H 11 12.247 12.613 5.816 1.00 15.17 C +ATOM 1466 CD2 LEU H 11 9.716 12.607 6.062 1.00 13.94 C +ATOM 1467 N VAL H 12 10.594 7.624 5.522 1.00 14.34 N +ATOM 1468 CA VAL H 12 10.260 6.602 4.532 1.00 17.06 C +ATOM 1469 C VAL H 12 9.032 5.756 4.924 1.00 21.43 C +ATOM 1470 O VAL H 12 8.245 5.333 4.073 1.00 26.39 O +ATOM 1471 CB VAL H 12 11.681 5.885 4.355 1.00 13.85 C +ATOM 1472 CG1 VAL H 12 11.560 4.431 4.266 1.00 9.28 C +ATOM 1473 CG2 VAL H 12 12.386 6.412 3.114 1.00 12.88 C +ATOM 1474 N GLU H 13 8.716 5.558 6.188 1.00 19.83 N +ATOM 1475 CA GLU H 13 7.501 4.847 6.565 1.00 19.72 C +ATOM 1476 C GLU H 13 6.251 5.763 6.605 1.00 18.26 C +ATOM 1477 O GLU H 13 5.123 5.306 6.376 1.00 15.71 O +ATOM 1478 CB GLU H 13 7.698 4.247 7.915 1.00 26.41 C +ATOM 1479 CG GLU H 13 8.978 3.465 7.961 1.00 36.18 C +ATOM 1480 CD GLU H 13 8.950 2.724 9.270 1.00 40.74 C +ATOM 1481 OE1 GLU H 13 8.191 1.747 9.283 1.00 46.18 O +ATOM 1482 OE2 GLU H 13 9.635 3.118 10.235 1.00 34.60 O +ATOM 1483 N ALA H 14 6.458 7.057 6.931 1.00 11.52 N +ATOM 1484 CA ALA H 14 5.502 8.127 6.858 1.00 11.71 C +ATOM 1485 C ALA H 14 5.017 8.304 5.402 1.00 13.67 C +ATOM 1486 O ALA H 14 3.827 8.292 5.062 1.00 15.89 O +ATOM 1487 CB ALA H 14 6.154 9.417 7.298 1.00 11.38 C +ATOM 1488 N LEU H 15 5.957 8.490 4.487 1.00 13.51 N +ATOM 1489 CA LEU H 15 5.656 8.529 3.086 1.00 13.92 C +ATOM 1490 C LEU H 15 4.993 7.214 2.731 1.00 16.11 C +ATOM 1491 O LEU H 15 3.917 7.278 2.155 1.00 19.52 O +ATOM 1492 CB LEU H 15 6.937 8.753 2.252 1.00 9.40 C +ATOM 1493 CG LEU H 15 7.424 10.216 2.297 1.00 12.04 C +ATOM 1494 CD1 LEU H 15 8.655 10.423 1.456 1.00 9.48 C +ATOM 1495 CD2 LEU H 15 6.281 11.115 1.854 1.00 14.41 C +ATOM 1496 N TYR H 16 5.457 6.023 3.085 1.00 17.08 N +ATOM 1497 CA TYR H 16 4.786 4.820 2.654 1.00 17.56 C +ATOM 1498 C TYR H 16 3.319 4.776 3.050 1.00 19.34 C +ATOM 1499 O TYR H 16 2.500 4.324 2.244 1.00 24.73 O +ATOM 1500 CB TYR H 16 5.573 3.621 3.198 1.00 15.67 C +ATOM 1501 CG TYR H 16 4.889 2.303 2.919 1.00 15.48 C +ATOM 1502 CD1 TYR H 16 3.952 1.879 3.842 1.00 16.74 C +ATOM 1503 CD2 TYR H 16 5.118 1.548 1.787 1.00 17.00 C +ATOM 1504 CE1 TYR H 16 3.222 0.729 3.666 1.00 13.97 C +ATOM 1505 CE2 TYR H 16 4.383 0.375 1.613 1.00 17.75 C +ATOM 1506 CZ TYR H 16 3.438 -0.012 2.546 1.00 16.21 C +ATOM 1507 OH TYR H 16 2.615 -1.094 2.372 1.00 16.61 O +ATOM 1508 N LEU H 17 2.946 5.279 4.222 1.00 19.74 N +ATOM 1509 CA LEU H 17 1.580 5.212 4.712 1.00 17.08 C +ATOM 1510 C LEU H 17 0.730 6.315 4.126 1.00 16.83 C +ATOM 1511 O LEU H 17 -0.389 5.966 3.760 1.00 19.85 O +ATOM 1512 CB LEU H 17 1.591 5.285 6.256 1.00 19.71 C +ATOM 1513 CG LEU H 17 1.381 4.078 7.236 1.00 24.32 C +ATOM 1514 CD1 LEU H 17 2.048 2.769 6.760 1.00 24.92 C +ATOM 1515 CD2 LEU H 17 1.948 4.514 8.588 1.00 21.85 C +ATOM 1516 N VAL H 18 1.124 7.597 3.970 1.00 17.30 N +ATOM 1517 CA VAL H 18 0.211 8.588 3.356 1.00 22.02 C +ATOM 1518 C VAL H 18 0.073 8.406 1.829 1.00 22.29 C +ATOM 1519 O VAL H 18 -1.061 8.491 1.308 1.00 22.25 O +ATOM 1520 CB VAL H 18 0.597 10.160 3.658 1.00 21.94 C +ATOM 1521 CG1 VAL H 18 1.547 10.238 4.797 1.00 25.60 C +ATOM 1522 CG2 VAL H 18 1.329 10.885 2.569 1.00 17.90 C +ATOM 1523 N CYS H 19 1.191 8.149 1.106 1.00 20.21 N +ATOM 1524 CA CYS H 19 1.171 7.908 -0.337 1.00 19.07 C +ATOM 1525 C CYS H 19 0.454 6.661 -0.816 1.00 19.09 C +ATOM 1526 O CYS H 19 0.274 6.560 -2.033 1.00 22.76 O +ATOM 1527 CB CYS H 19 2.517 7.773 -0.944 1.00 17.84 C +ATOM 1528 SG CYS H 19 3.596 9.141 -0.558 1.00 21.40 S +ATOM 1529 N GLY H 20 0.061 5.659 -0.024 1.00 17.20 N +ATOM 1530 CA GLY H 20 -0.743 4.512 -0.500 1.00 19.17 C +ATOM 1531 C GLY H 20 -0.435 3.889 -1.867 1.00 18.08 C +ATOM 1532 O GLY H 20 0.714 3.770 -2.221 1.00 21.12 O +ATOM 1533 N GLU H 21 -1.357 3.464 -2.728 1.00 21.21 N +ATOM 1534 CA GLU H 21 -1.069 2.890 -4.063 1.00 18.84 C +ATOM 1535 C GLU H 21 -0.084 3.736 -4.856 1.00 17.32 C +ATOM 1536 O GLU H 21 0.713 3.239 -5.609 1.00 17.87 O +ATOM 1537 CB GLU H 21 -2.395 2.779 -4.922 1.00 25.96 C +ATOM 1538 CG GLU H 21 -3.058 3.935 -5.820 1.00 28.12 C +ATOM 1539 CD GLU H 21 -2.739 4.088 -7.353 1.00 32.21 C +ATOM 1540 OE1 GLU H 21 -2.543 3.108 -8.097 1.00 30.88 O +ATOM 1541 OE2 GLU H 21 -2.680 5.229 -7.832 1.00 32.37 O +ATOM 1542 N ARG H 22 -0.142 5.040 -4.677 1.00 17.03 N +ATOM 1543 CA ARG H 22 0.589 6.007 -5.458 1.00 18.45 C +ATOM 1544 C ARG H 22 2.076 5.773 -5.506 1.00 17.51 C +ATOM 1545 O ARG H 22 2.682 5.767 -6.574 1.00 20.53 O +ATOM 1546 CB ARG H 22 0.254 7.331 -4.858 1.00 20.07 C +ATOM 1547 CG ARG H 22 0.046 8.414 -5.826 1.00 22.07 C +ATOM 1548 CD ARG H 22 -0.843 9.293 -5.031 1.00 26.00 C +ATOM 1549 NE ARG H 22 -0.322 10.638 -5.057 1.00 26.30 N +ATOM 1550 CZ ARG H 22 -0.714 11.511 -4.138 1.00 33.56 C +ATOM 1551 NH1 ARG H 22 -1.616 11.177 -3.168 1.00 32.43 N +ATOM 1552 NH2 ARG H 22 -0.121 12.706 -4.188 1.00 33.88 N +ATOM 1553 N GLY H 23 2.670 5.581 -4.331 1.00 15.77 N +ATOM 1554 CA GLY H 23 4.062 5.273 -4.247 1.00 12.23 C +ATOM 1555 C GLY H 23 4.843 6.507 -4.126 1.00 10.15 C +ATOM 1556 O GLY H 23 4.336 7.616 -3.992 1.00 11.15 O +ATOM 1557 N PHE H 24 6.141 6.321 -4.062 1.00 12.26 N +ATOM 1558 CA PHE H 24 7.035 7.461 -3.895 1.00 14.96 C +ATOM 1559 C PHE H 24 8.516 7.166 -4.274 1.00 17.97 C +ATOM 1560 O PHE H 24 8.906 6.009 -4.459 1.00 12.57 O +ATOM 1561 CB PHE H 24 6.904 7.960 -2.403 1.00 13.66 C +ATOM 1562 CG PHE H 24 7.453 7.033 -1.320 1.00 11.96 C +ATOM 1563 CD1 PHE H 24 8.818 6.934 -1.112 1.00 9.72 C +ATOM 1564 CD2 PHE H 24 6.581 6.265 -0.587 1.00 10.40 C +ATOM 1565 CE1 PHE H 24 9.306 6.073 -0.189 1.00 10.80 C +ATOM 1566 CE2 PHE H 24 7.111 5.413 0.337 1.00 10.55 C +ATOM 1567 CZ PHE H 24 8.455 5.311 0.539 1.00 10.51 C +ATOM 1568 N PHE H 25 9.309 8.227 -4.507 1.00 21.37 N +ATOM 1569 CA PHE H 25 10.769 8.165 -4.617 1.00 25.73 C +ATOM 1570 C PHE H 25 11.318 8.866 -3.393 1.00 26.68 C +ATOM 1571 O PHE H 25 10.832 9.922 -2.916 1.00 26.41 O +ATOM 1572 CB PHE H 25 11.427 8.954 -5.756 1.00 28.75 C +ATOM 1573 CG PHE H 25 11.317 8.366 -7.143 1.00 32.63 C +ATOM 1574 CD1 PHE H 25 10.092 8.248 -7.785 1.00 31.11 C +ATOM 1575 CD2 PHE H 25 12.483 7.962 -7.760 1.00 34.74 C +ATOM 1576 CE1 PHE H 25 10.048 7.714 -9.055 1.00 29.54 C +ATOM 1577 CE2 PHE H 25 12.411 7.436 -9.032 1.00 35.35 C +ATOM 1578 CZ PHE H 25 11.196 7.311 -9.676 1.00 31.15 C +ATOM 1579 N TYR H 26 12.361 8.233 -2.884 1.00 25.84 N +ATOM 1580 CA TYR H 26 13.094 8.830 -1.809 1.00 25.84 C +ATOM 1581 C TYR H 26 14.392 9.264 -2.428 1.00 27.84 C +ATOM 1582 O TYR H 26 15.220 8.433 -2.788 1.00 29.13 O +ATOM 1583 CB TYR H 26 13.426 7.859 -0.682 1.00 24.21 C +ATOM 1584 CG TYR H 26 14.063 8.554 0.526 1.00 23.12 C +ATOM 1585 CD1 TYR H 26 13.320 9.562 1.091 1.00 19.88 C +ATOM 1586 CD2 TYR H 26 15.300 8.207 1.046 1.00 18.35 C +ATOM 1587 CE1 TYR H 26 13.785 10.256 2.155 1.00 18.83 C +ATOM 1588 CE2 TYR H 26 15.758 8.905 2.122 1.00 11.30 C +ATOM 1589 CZ TYR H 26 14.989 9.912 2.667 1.00 19.48 C +ATOM 1590 OH TYR H 26 15.373 10.640 3.786 1.00 26.40 O +ATOM 1591 N THR H 27 14.518 10.587 -2.514 1.00 31.17 N +ATOM 1592 CA THR H 27 15.746 11.290 -2.901 1.00 31.84 C +ATOM 1593 C THR H 27 16.185 12.159 -1.689 1.00 28.84 C +ATOM 1594 O THR H 27 15.585 13.188 -1.351 1.00 23.55 O +ATOM 1595 CB THR H 27 15.451 12.153 -4.189 1.00 32.73 C +ATOM 1596 OG1 THR H 27 15.209 11.239 -5.256 1.00 36.20 O +ATOM 1597 CG2 THR H 27 16.595 13.049 -4.614 1.00 37.51 C +ATOM 1598 N PRO H 28 17.210 11.697 -0.967 1.00 32.09 N +ATOM 1599 CA PRO H 28 18.187 12.517 -0.209 1.00 37.28 C +ATOM 1600 C PRO H 28 19.259 13.450 -0.878 1.00 40.24 C +ATOM 1601 O PRO H 28 20.133 13.945 -0.144 1.00 43.38 O +ATOM 1602 CB PRO H 28 18.846 11.499 0.727 1.00 33.05 C +ATOM 1603 CG PRO H 28 18.827 10.274 -0.130 1.00 33.55 C +ATOM 1604 CD PRO H 28 17.397 10.293 -0.664 1.00 31.65 C +ATOM 1605 N LYS H 29 19.393 13.681 -2.195 1.00 39.60 N +ATOM 1606 CA LYS H 29 20.239 14.760 -2.687 1.00 38.83 C +ATOM 1607 C LYS H 29 19.149 15.572 -3.375 1.00 39.66 C +ATOM 1608 O LYS H 29 18.823 15.442 -4.561 1.00 39.22 O +ATOM 1609 CB LYS H 29 21.256 14.239 -3.665 1.00 35.14 C +ATOM 1610 CG LYS H 29 22.309 13.466 -2.928 1.00 36.34 C +ATOM 1611 CD LYS H 29 23.069 12.727 -4.007 1.00 38.14 C +ATOM 1612 CE LYS H 29 24.296 12.079 -3.364 1.00 37.92 C +ATOM 1613 NZ LYS H 29 24.962 11.198 -4.315 1.00 39.36 N +ATOM 1614 N ALA H 30 18.439 16.231 -2.465 1.00 41.96 N +ATOM 1615 CA ALA H 30 17.300 17.113 -2.691 1.00 41.57 C +ATOM 1616 C ALA H 30 16.974 17.655 -1.284 1.00 41.28 C +ATOM 1617 O ALA H 30 16.783 16.881 -0.316 1.00 39.93 O +ATOM 1618 CB ALA H 30 16.066 16.364 -3.189 1.00 41.28 C +ATOM 1619 OXT ALA H 30 16.945 18.882 -1.135 1.00 39.57 O +TER 1620 ALA H 30 +ATOM 1621 N GLY I 1 16.200 -20.806 18.524 1.00 31.70 N +ATOM 1622 CA GLY I 1 15.396 -21.635 19.423 1.00 32.33 C +ATOM 1623 C GLY I 1 14.378 -20.699 20.009 1.00 30.42 C +ATOM 1624 O GLY I 1 14.605 -20.131 21.053 1.00 30.07 O +ATOM 1625 N ILE I 2 13.274 -20.477 19.339 1.00 33.16 N +ATOM 1626 CA ILE I 2 12.356 -19.382 19.677 1.00 32.56 C +ATOM 1627 C ILE I 2 11.233 -19.760 18.654 1.00 34.45 C +ATOM 1628 O ILE I 2 10.562 -20.772 18.876 1.00 33.44 O +ATOM 1629 CB ILE I 2 13.176 -17.967 19.427 1.00 28.27 C +ATOM 1630 CG1 ILE I 2 12.334 -16.768 19.533 1.00 24.30 C +ATOM 1631 CG2 ILE I 2 13.803 -17.838 18.039 1.00 30.89 C +ATOM 1632 CD1 ILE I 2 13.347 -15.569 19.526 1.00 26.54 C +ATOM 1633 N VAL I 3 11.383 -19.440 17.340 1.00 37.76 N +ATOM 1634 CA VAL I 3 10.464 -19.493 16.176 1.00 37.64 C +ATOM 1635 C VAL I 3 9.193 -20.286 16.168 1.00 37.57 C +ATOM 1636 O VAL I 3 8.110 -19.939 15.763 1.00 39.03 O +ATOM 1637 CB VAL I 3 11.334 -19.775 14.925 1.00 41.22 C +ATOM 1638 CG1 VAL I 3 10.622 -20.554 13.801 1.00 42.91 C +ATOM 1639 CG2 VAL I 3 11.786 -18.428 14.427 1.00 34.56 C +ATOM 1640 N GLU I 4 9.562 -21.470 16.573 1.00 36.76 N +ATOM 1641 CA GLU I 4 8.649 -22.547 16.889 1.00 39.08 C +ATOM 1642 C GLU I 4 7.538 -22.061 17.830 1.00 41.39 C +ATOM 1643 O GLU I 4 6.396 -22.419 17.667 1.00 41.46 O +ATOM 1644 CB GLU I 4 9.530 -23.615 17.551 1.00 37.89 C +ATOM 1645 CG GLU I 4 8.876 -24.941 17.855 1.00 40.29 C +ATOM 1646 CD GLU I 4 9.338 -26.058 16.918 1.00 41.54 C +ATOM 1647 OE1 GLU I 4 9.313 -25.894 15.706 1.00 44.38 O +ATOM 1648 OE2 GLU I 4 9.733 -27.129 17.361 1.00 39.90 O +ATOM 1649 N GLN I 5 7.916 -21.208 18.803 1.00 42.81 N +ATOM 1650 CA GLN I 5 7.112 -20.692 19.905 1.00 39.43 C +ATOM 1651 C GLN I 5 6.536 -19.330 19.455 1.00 37.30 C +ATOM 1652 O GLN I 5 5.386 -19.317 19.010 1.00 38.18 O +ATOM 1653 CB GLN I 5 8.083 -20.638 21.180 1.00 38.93 C +ATOM 1654 CG GLN I 5 8.152 -21.909 22.071 1.00 40.31 C +ATOM 1655 CD GLN I 5 9.488 -22.605 22.360 1.00 41.70 C +ATOM 1656 OE1 GLN I 5 9.644 -23.223 23.408 1.00 41.39 O +ATOM 1657 NE2 GLN I 5 10.480 -22.672 21.471 1.00 47.61 N +ATOM 1658 N CYS I 6 7.320 -18.258 19.257 1.00 33.55 N +ATOM 1659 CA CYS I 6 6.815 -16.902 18.981 1.00 29.92 C +ATOM 1660 C CYS I 6 6.167 -16.461 17.693 1.00 27.82 C +ATOM 1661 O CYS I 6 5.620 -15.371 17.609 1.00 26.31 O +ATOM 1662 CB CYS I 6 7.917 -15.894 19.280 1.00 30.16 C +ATOM 1663 SG CYS I 6 8.703 -16.293 20.857 1.00 33.34 S +ATOM 1664 N CYS I 7 6.211 -17.274 16.659 1.00 29.78 N +ATOM 1665 CA CYS I 7 5.531 -16.940 15.400 1.00 29.70 C +ATOM 1666 C CYS I 7 4.364 -17.922 15.012 1.00 32.56 C +ATOM 1667 O CYS I 7 3.579 -17.612 14.089 1.00 29.33 O +ATOM 1668 CB CYS I 7 6.620 -16.855 14.283 1.00 28.91 C +ATOM 1669 SG CYS I 7 7.978 -15.630 14.410 1.00 21.56 S +ATOM 1670 N THR I 8 4.179 -19.094 15.701 1.00 32.26 N +ATOM 1671 CA THR I 8 3.060 -19.987 15.442 1.00 33.19 C +ATOM 1672 C THR I 8 1.964 -19.529 16.418 1.00 35.93 C +ATOM 1673 O THR I 8 0.799 -19.256 16.009 1.00 42.58 O +ATOM 1674 CB THR I 8 3.522 -21.454 15.662 1.00 33.50 C +ATOM 1675 OG1 THR I 8 4.368 -21.825 14.562 1.00 31.65 O +ATOM 1676 CG2 THR I 8 2.366 -22.438 15.700 1.00 34.12 C +ATOM 1677 N SER I 9 2.277 -19.403 17.717 1.00 36.41 N +ATOM 1678 CA SER I 9 1.422 -18.655 18.630 1.00 33.37 C +ATOM 1679 C SER I 9 2.255 -17.387 18.872 1.00 31.04 C +ATOM 1680 O SER I 9 3.291 -17.175 18.245 1.00 31.33 O +ATOM 1681 CB SER I 9 1.187 -19.443 19.927 1.00 32.52 C +ATOM 1682 OG SER I 9 0.013 -20.277 19.847 1.00 31.91 O +ATOM 1683 N ILE I 10 1.790 -16.419 19.629 1.00 30.87 N +ATOM 1684 CA ILE I 10 2.615 -15.279 20.082 1.00 30.65 C +ATOM 1685 C ILE I 10 3.459 -15.849 21.248 1.00 32.34 C +ATOM 1686 O ILE I 10 3.125 -16.948 21.758 1.00 30.52 O +ATOM 1687 CB ILE I 10 1.714 -14.130 20.648 1.00 30.79 C +ATOM 1688 CG1 ILE I 10 0.745 -14.643 21.741 1.00 28.91 C +ATOM 1689 CG2 ILE I 10 0.909 -13.562 19.529 1.00 31.14 C +ATOM 1690 CD1 ILE I 10 -0.100 -13.610 22.510 1.00 29.90 C +ATOM 1691 N CYS I 11 4.524 -15.131 21.659 1.00 30.65 N +ATOM 1692 CA CYS I 11 5.172 -15.427 22.931 1.00 27.86 C +ATOM 1693 C CYS I 11 4.908 -14.233 23.793 1.00 25.49 C +ATOM 1694 O CYS I 11 4.696 -13.090 23.361 1.00 25.68 O +ATOM 1695 CB CYS I 11 6.666 -15.536 22.900 1.00 25.85 C +ATOM 1696 SG CYS I 11 7.256 -16.993 22.053 1.00 31.39 S +ATOM 1697 N SER I 12 4.844 -14.493 25.072 1.00 23.55 N +ATOM 1698 CA SER I 12 4.716 -13.405 26.022 1.00 19.77 C +ATOM 1699 C SER I 12 6.089 -12.835 26.373 1.00 17.22 C +ATOM 1700 O SER I 12 7.124 -13.455 26.111 1.00 19.67 O +ATOM 1701 CB SER I 12 4.018 -13.967 27.234 1.00 17.05 C +ATOM 1702 OG SER I 12 2.637 -13.958 26.980 1.00 28.36 O +ATOM 1703 N LEU I 13 6.169 -11.697 27.069 1.00 13.81 N +ATOM 1704 CA LEU I 13 7.443 -11.083 27.420 1.00 13.75 C +ATOM 1705 C LEU I 13 8.308 -11.824 28.389 1.00 16.73 C +ATOM 1706 O LEU I 13 9.533 -11.824 28.374 1.00 14.83 O +ATOM 1707 CB LEU I 13 7.205 -9.739 27.962 1.00 10.98 C +ATOM 1708 CG LEU I 13 6.466 -9.018 26.895 1.00 13.42 C +ATOM 1709 CD1 LEU I 13 5.104 -8.804 27.496 1.00 16.95 C +ATOM 1710 CD2 LEU I 13 7.199 -7.826 26.370 1.00 12.57 C +ATOM 1711 N TYR I 14 7.561 -12.568 29.166 1.00 20.77 N +ATOM 1712 CA TYR I 14 8.098 -13.372 30.224 1.00 26.51 C +ATOM 1713 C TYR I 14 8.762 -14.425 29.391 1.00 26.85 C +ATOM 1714 O TYR I 14 9.965 -14.434 29.385 1.00 29.42 O +ATOM 1715 CB TYR I 14 6.992 -13.957 31.104 1.00 26.89 C +ATOM 1716 CG TYR I 14 5.792 -13.032 31.255 1.00 35.66 C +ATOM 1717 CD1 TYR I 14 4.816 -13.081 30.273 1.00 37.52 C +ATOM 1718 CD2 TYR I 14 5.612 -12.178 32.339 1.00 38.49 C +ATOM 1719 CE1 TYR I 14 3.661 -12.304 30.340 1.00 41.95 C +ATOM 1720 CE2 TYR I 14 4.450 -11.404 32.415 1.00 41.55 C +ATOM 1721 CZ TYR I 14 3.462 -11.468 31.419 1.00 40.84 C +ATOM 1722 OH TYR I 14 2.244 -10.775 31.492 1.00 44.95 O +ATOM 1723 N GLN I 15 8.144 -15.188 28.518 1.00 30.98 N +ATOM 1724 CA GLN I 15 8.915 -16.216 27.823 1.00 32.99 C +ATOM 1725 C GLN I 15 9.985 -15.654 26.867 1.00 32.91 C +ATOM 1726 O GLN I 15 10.924 -16.396 26.611 1.00 37.47 O +ATOM 1727 CB GLN I 15 7.875 -17.136 27.137 1.00 34.58 C +ATOM 1728 CG GLN I 15 8.211 -18.583 26.826 1.00 32.02 C +ATOM 1729 CD GLN I 15 8.909 -18.690 25.474 1.00 34.47 C +ATOM 1730 OE1 GLN I 15 8.607 -18.029 24.477 1.00 31.01 O +ATOM 1731 NE2 GLN I 15 9.950 -19.499 25.381 1.00 37.77 N +ATOM 1732 N LEU I 16 10.008 -14.403 26.372 1.00 31.57 N +ATOM 1733 CA LEU I 16 11.119 -13.854 25.576 1.00 26.79 C +ATOM 1734 C LEU I 16 12.334 -13.555 26.461 1.00 28.89 C +ATOM 1735 O LEU I 16 13.450 -13.567 25.916 1.00 29.85 O +ATOM 1736 CB LEU I 16 10.792 -12.527 24.894 1.00 21.23 C +ATOM 1737 CG LEU I 16 10.168 -12.414 23.551 1.00 13.31 C +ATOM 1738 CD1 LEU I 16 9.428 -13.628 23.195 1.00 16.75 C +ATOM 1739 CD2 LEU I 16 9.193 -11.299 23.605 1.00 11.05 C +ATOM 1740 N GLU I 17 12.163 -13.290 27.790 1.00 28.03 N +ATOM 1741 CA GLU I 17 13.265 -13.079 28.747 1.00 26.27 C +ATOM 1742 C GLU I 17 14.314 -14.189 28.734 1.00 26.58 C +ATOM 1743 O GLU I 17 15.550 -14.010 28.792 1.00 26.05 O +ATOM 1744 CB GLU I 17 12.808 -13.024 30.181 1.00 27.67 C +ATOM 1745 CG GLU I 17 12.298 -11.720 30.746 1.00 27.43 C +ATOM 1746 CD GLU I 17 12.110 -11.820 32.254 1.00 33.82 C +ATOM 1747 OE1 GLU I 17 11.132 -12.409 32.733 1.00 38.82 O +ATOM 1748 OE2 GLU I 17 12.981 -11.329 32.958 1.00 31.08 O +ATOM 1749 N ASN I 18 13.763 -15.380 28.504 1.00 26.49 N +ATOM 1750 CA ASN I 18 14.502 -16.626 28.400 1.00 25.66 C +ATOM 1751 C ASN I 18 15.460 -16.674 27.224 1.00 27.30 C +ATOM 1752 O ASN I 18 16.023 -17.737 26.912 1.00 30.46 O +ATOM 1753 CB ASN I 18 13.504 -17.808 28.313 1.00 22.64 C +ATOM 1754 CG ASN I 18 12.652 -18.038 29.558 1.00 23.23 C +ATOM 1755 OD1 ASN I 18 12.862 -17.495 30.644 1.00 22.91 O +ATOM 1756 ND2 ASN I 18 11.614 -18.859 29.478 1.00 21.03 N +ATOM 1757 N TYR I 19 15.640 -15.558 26.501 1.00 26.12 N +ATOM 1758 CA TYR I 19 16.570 -15.517 25.376 1.00 23.36 C +ATOM 1759 C TYR I 19 17.531 -14.370 25.480 1.00 19.59 C +ATOM 1760 O TYR I 19 18.355 -14.058 24.626 1.00 16.35 O +ATOM 1761 CB TYR I 19 15.786 -15.426 24.065 1.00 25.52 C +ATOM 1762 CG TYR I 19 14.747 -16.520 23.824 1.00 22.14 C +ATOM 1763 CD1 TYR I 19 15.039 -17.821 23.504 1.00 21.06 C +ATOM 1764 CD2 TYR I 19 13.443 -16.140 23.975 1.00 27.74 C +ATOM 1765 CE1 TYR I 19 13.998 -18.702 23.300 1.00 27.13 C +ATOM 1766 CE2 TYR I 19 12.381 -16.995 23.778 1.00 28.28 C +ATOM 1767 CZ TYR I 19 12.658 -18.299 23.447 1.00 28.64 C +ATOM 1768 OH TYR I 19 11.547 -19.119 23.205 1.00 31.55 O +ATOM 1769 N CYS I 20 17.451 -13.723 26.606 1.00 23.11 N +ATOM 1770 CA CYS I 20 18.380 -12.655 26.842 1.00 31.76 C +ATOM 1771 C CYS I 20 19.843 -13.198 27.113 1.00 34.54 C +ATOM 1772 O CYS I 20 20.304 -14.264 26.602 1.00 34.21 O +ATOM 1773 CB CYS I 20 17.845 -11.845 28.011 1.00 31.47 C +ATOM 1774 SG CYS I 20 16.421 -10.816 27.669 1.00 36.76 S +ATOM 1775 N ASN I 21 20.597 -12.388 27.858 1.00 32.77 N +ATOM 1776 CA ASN I 21 21.903 -12.689 28.339 1.00 31.75 C +ATOM 1777 C ASN I 21 21.835 -12.199 29.790 1.00 33.44 C +ATOM 1778 O ASN I 21 20.994 -11.351 30.137 1.00 33.19 O +ATOM 1779 CB ASN I 21 22.951 -11.913 27.552 1.00 28.97 C +ATOM 1780 CG ASN I 21 23.394 -12.493 26.210 1.00 28.27 C +ATOM 1781 OD1 ASN I 21 23.784 -11.744 25.321 1.00 26.61 O +ATOM 1782 ND2 ASN I 21 23.435 -13.787 25.919 1.00 26.20 N +ATOM 1783 OXT ASN I 21 22.634 -12.674 30.590 1.00 35.40 O +TER 1784 ASN I 21 +ATOM 1785 N PHE J 1 4.932 -16.443 0.665 1.00 41.15 N +ATOM 1786 CA PHE J 1 4.899 -15.134 1.310 1.00 40.52 C +ATOM 1787 C PHE J 1 6.116 -15.129 2.228 1.00 41.13 C +ATOM 1788 O PHE J 1 6.596 -16.197 2.666 1.00 39.88 O +ATOM 1789 CB PHE J 1 3.597 -14.902 2.160 1.00 38.14 C +ATOM 1790 CG PHE J 1 3.224 -13.426 2.347 1.00 35.01 C +ATOM 1791 CD1 PHE J 1 2.977 -12.637 1.230 1.00 37.26 C +ATOM 1792 CD2 PHE J 1 3.235 -12.837 3.590 1.00 32.93 C +ATOM 1793 CE1 PHE J 1 2.761 -11.268 1.342 1.00 34.71 C +ATOM 1794 CE2 PHE J 1 3.024 -11.488 3.733 1.00 27.73 C +ATOM 1795 CZ PHE J 1 2.793 -10.712 2.618 1.00 33.09 C +ATOM 1796 N VAL J 2 6.598 -13.927 2.530 1.00 40.37 N +ATOM 1797 CA VAL J 2 7.697 -13.790 3.475 1.00 38.28 C +ATOM 1798 C VAL J 2 7.167 -13.887 4.924 1.00 39.51 C +ATOM 1799 O VAL J 2 7.749 -13.317 5.851 1.00 43.16 O +ATOM 1800 CB VAL J 2 8.445 -12.431 3.231 1.00 35.10 C +ATOM 1801 CG1 VAL J 2 9.106 -12.574 1.878 1.00 36.90 C +ATOM 1802 CG2 VAL J 2 7.583 -11.205 3.123 1.00 31.21 C +ATOM 1803 N ASN J 3 6.169 -14.741 5.225 1.00 39.25 N +ATOM 1804 CA ASN J 3 5.492 -14.850 6.524 1.00 37.23 C +ATOM 1805 C ASN J 3 6.306 -14.875 7.839 1.00 36.79 C +ATOM 1806 O ASN J 3 6.090 -14.059 8.723 1.00 36.24 O +ATOM 1807 CB ASN J 3 4.608 -16.096 6.422 1.00 36.25 C +ATOM 1808 CG ASN J 3 3.433 -15.906 7.340 1.00 37.87 C +ATOM 1809 OD1 ASN J 3 2.774 -14.870 7.209 1.00 42.22 O +ATOM 1810 ND2 ASN J 3 3.163 -16.818 8.283 1.00 37.12 N +ATOM 1811 N GLN J 4 7.313 -15.737 8.076 1.00 35.58 N +ATOM 1812 CA GLN J 4 8.071 -15.780 9.339 1.00 34.66 C +ATOM 1813 C GLN J 4 9.523 -15.226 9.284 1.00 32.15 C +ATOM 1814 O GLN J 4 10.419 -15.557 10.059 1.00 32.79 O +ATOM 1815 CB GLN J 4 8.016 -17.246 9.866 1.00 36.05 C +ATOM 1816 CG GLN J 4 6.704 -17.446 10.651 1.00 34.14 C +ATOM 1817 CD GLN J 4 6.057 -18.832 10.679 1.00 35.11 C +ATOM 1818 OE1 GLN J 4 4.861 -18.975 10.351 1.00 41.20 O +ATOM 1819 NE2 GLN J 4 6.801 -19.866 11.050 1.00 26.78 N +ATOM 1820 N HIS J 5 9.664 -14.255 8.372 1.00 27.28 N +ATOM 1821 CA HIS J 5 10.784 -13.360 8.210 1.00 19.63 C +ATOM 1822 C HIS J 5 10.264 -11.934 8.468 1.00 17.57 C +ATOM 1823 O HIS J 5 10.955 -10.934 8.521 1.00 20.08 O +ATOM 1824 CB HIS J 5 11.238 -13.561 6.838 1.00 20.69 C +ATOM 1825 CG HIS J 5 12.243 -12.554 6.415 1.00 18.26 C +ATOM 1826 ND1 HIS J 5 13.535 -12.576 6.666 1.00 23.22 N +ATOM 1827 CD2 HIS J 5 11.928 -11.419 5.745 1.00 19.24 C +ATOM 1828 CE1 HIS J 5 14.033 -11.471 6.178 1.00 20.11 C +ATOM 1829 NE2 HIS J 5 13.055 -10.799 5.634 1.00 18.11 N +ATOM 1830 N LEU J 6 8.973 -11.781 8.606 1.00 18.40 N +ATOM 1831 CA LEU J 6 8.291 -10.544 8.876 1.00 17.29 C +ATOM 1832 C LEU J 6 7.893 -10.658 10.368 1.00 11.80 C +ATOM 1833 O LEU J 6 7.687 -9.653 11.031 1.00 9.89 O +ATOM 1834 CB LEU J 6 7.115 -10.521 7.837 1.00 18.12 C +ATOM 1835 CG LEU J 6 6.712 -9.377 6.878 1.00 17.49 C +ATOM 1836 CD1 LEU J 6 7.824 -9.080 5.939 1.00 18.68 C +ATOM 1837 CD2 LEU J 6 5.519 -9.778 6.061 1.00 12.38 C +ATOM 1838 N CYS J 7 7.777 -11.833 10.938 1.00 11.08 N +ATOM 1839 CA CYS J 7 7.604 -12.046 12.344 1.00 10.72 C +ATOM 1840 C CYS J 7 8.856 -11.726 13.164 1.00 10.84 C +ATOM 1841 O CYS J 7 8.837 -10.942 14.093 1.00 11.62 O +ATOM 1842 CB CYS J 7 7.227 -13.481 12.540 1.00 14.71 C +ATOM 1843 SG CYS J 7 7.139 -13.829 14.292 1.00 19.87 S +ATOM 1844 N GLY J 8 10.019 -12.243 12.811 1.00 10.65 N +ATOM 1845 CA GLY J 8 11.274 -12.021 13.446 1.00 12.78 C +ATOM 1846 C GLY J 8 11.712 -10.593 13.321 1.00 15.32 C +ATOM 1847 O GLY J 8 12.688 -10.245 13.986 1.00 22.91 O +ATOM 1848 N SER J 9 11.173 -9.674 12.520 1.00 13.57 N +ATOM 1849 CA SER J 9 11.622 -8.278 12.610 1.00 12.59 C +ATOM 1850 C SER J 9 10.936 -7.717 13.819 1.00 12.91 C +ATOM 1851 O SER J 9 11.497 -6.933 14.569 1.00 16.34 O +ATOM 1852 CB SER J 9 11.258 -7.424 11.377 1.00 10.93 C +ATOM 1853 OG SER J 9 9.997 -7.740 10.809 1.00 15.56 O +ATOM 1854 N HIS J 10 9.723 -8.175 14.055 1.00 14.55 N +ATOM 1855 CA HIS J 10 9.005 -7.793 15.249 1.00 16.21 C +ATOM 1856 C HIS J 10 9.598 -8.554 16.442 1.00 16.94 C +ATOM 1857 O HIS J 10 9.801 -7.943 17.489 1.00 17.41 O +ATOM 1858 CB HIS J 10 7.559 -8.115 15.058 1.00 15.89 C +ATOM 1859 CG HIS J 10 6.958 -7.157 14.042 1.00 21.26 C +ATOM 1860 ND1 HIS J 10 6.724 -5.841 14.111 1.00 23.19 N +ATOM 1861 CD2 HIS J 10 6.525 -7.539 12.822 1.00 20.29 C +ATOM 1862 CE1 HIS J 10 6.186 -5.408 13.033 1.00 23.89 C +ATOM 1863 NE2 HIS J 10 6.068 -6.447 12.263 1.00 26.07 N +ATOM 1864 N LEU J 11 9.950 -9.843 16.366 1.00 17.17 N +ATOM 1865 CA LEU J 11 10.637 -10.589 17.415 1.00 17.99 C +ATOM 1866 C LEU J 11 11.988 -10.005 17.923 1.00 20.65 C +ATOM 1867 O LEU J 11 12.261 -9.837 19.109 1.00 21.09 O +ATOM 1868 CB LEU J 11 10.759 -11.977 16.837 1.00 15.23 C +ATOM 1869 CG LEU J 11 10.607 -13.176 17.759 1.00 24.42 C +ATOM 1870 CD1 LEU J 11 11.325 -14.298 17.029 1.00 21.14 C +ATOM 1871 CD2 LEU J 11 11.206 -12.975 19.201 1.00 21.89 C +ATOM 1872 N VAL J 12 12.909 -9.642 17.057 1.00 19.56 N +ATOM 1873 CA VAL J 12 14.171 -8.969 17.372 1.00 21.94 C +ATOM 1874 C VAL J 12 13.882 -7.630 18.078 1.00 21.06 C +ATOM 1875 O VAL J 12 14.431 -7.270 19.118 1.00 21.49 O +ATOM 1876 CB VAL J 12 14.932 -8.842 15.954 1.00 24.54 C +ATOM 1877 CG1 VAL J 12 15.822 -7.616 15.805 1.00 28.22 C +ATOM 1878 CG2 VAL J 12 15.876 -10.009 15.815 1.00 25.84 C +ATOM 1879 N GLU J 13 12.941 -6.885 17.538 1.00 20.55 N +ATOM 1880 CA GLU J 13 12.585 -5.571 18.015 1.00 23.26 C +ATOM 1881 C GLU J 13 12.209 -5.783 19.476 1.00 21.75 C +ATOM 1882 O GLU J 13 12.635 -5.015 20.319 1.00 23.68 O +ATOM 1883 CB GLU J 13 11.459 -5.126 17.023 1.00 29.04 C +ATOM 1884 CG GLU J 13 10.657 -3.795 16.861 1.00 35.61 C +ATOM 1885 CD GLU J 13 9.633 -3.797 15.675 1.00 40.59 C +ATOM 1886 OE1 GLU J 13 8.477 -4.225 15.870 1.00 38.85 O +ATOM 1887 OE2 GLU J 13 9.979 -3.373 14.547 1.00 42.14 O +ATOM 1888 N ALA J 14 11.630 -6.923 19.855 1.00 20.59 N +ATOM 1889 CA ALA J 14 11.159 -7.141 21.217 1.00 18.33 C +ATOM 1890 C ALA J 14 12.093 -7.858 22.159 1.00 16.69 C +ATOM 1891 O ALA J 14 11.970 -7.759 23.389 1.00 19.94 O +ATOM 1892 CB ALA J 14 9.897 -7.942 21.266 1.00 16.12 C +ATOM 1893 N LEU J 15 13.061 -8.585 21.654 1.00 14.50 N +ATOM 1894 CA LEU J 15 14.041 -9.121 22.531 1.00 11.87 C +ATOM 1895 C LEU J 15 14.830 -7.889 22.864 1.00 14.39 C +ATOM 1896 O LEU J 15 15.252 -7.693 23.990 1.00 17.36 O +ATOM 1897 CB LEU J 15 14.839 -10.150 21.796 1.00 11.85 C +ATOM 1898 CG LEU J 15 14.319 -11.585 21.916 1.00 19.17 C +ATOM 1899 CD1 LEU J 15 14.973 -12.451 20.843 1.00 18.04 C +ATOM 1900 CD2 LEU J 15 14.569 -12.109 23.342 1.00 17.74 C +ATOM 1901 N TYR J 16 14.991 -6.907 22.006 1.00 17.31 N +ATOM 1902 CA TYR J 16 15.850 -5.779 22.366 1.00 16.97 C +ATOM 1903 C TYR J 16 15.226 -5.068 23.563 1.00 20.12 C +ATOM 1904 O TYR J 16 15.868 -4.720 24.556 1.00 26.44 O +ATOM 1905 CB TYR J 16 16.002 -4.894 21.074 1.00 13.51 C +ATOM 1906 CG TYR J 16 16.656 -3.563 21.357 1.00 13.88 C +ATOM 1907 CD1 TYR J 16 18.028 -3.486 21.503 1.00 13.28 C +ATOM 1908 CD2 TYR J 16 15.849 -2.465 21.617 1.00 13.95 C +ATOM 1909 CE1 TYR J 16 18.619 -2.316 21.916 1.00 11.46 C +ATOM 1910 CE2 TYR J 16 16.450 -1.300 22.033 1.00 16.02 C +ATOM 1911 CZ TYR J 16 17.819 -1.235 22.197 1.00 12.83 C +ATOM 1912 OH TYR J 16 18.358 -0.055 22.684 1.00 9.88 O +ATOM 1913 N LEU J 17 13.919 -5.003 23.516 1.00 22.50 N +ATOM 1914 CA LEU J 17 13.109 -4.318 24.496 1.00 24.46 C +ATOM 1915 C LEU J 17 12.982 -5.035 25.824 1.00 23.23 C +ATOM 1916 O LEU J 17 12.978 -4.281 26.790 1.00 19.84 O +ATOM 1917 CB LEU J 17 11.697 -4.050 23.921 1.00 26.24 C +ATOM 1918 CG LEU J 17 11.324 -2.745 23.128 1.00 29.93 C +ATOM 1919 CD1 LEU J 17 12.202 -2.417 21.886 1.00 25.90 C +ATOM 1920 CD2 LEU J 17 9.857 -2.965 22.740 1.00 26.19 C +ATOM 1921 N VAL J 18 12.885 -6.366 26.001 1.00 23.58 N +ATOM 1922 CA VAL J 18 12.764 -6.886 27.373 1.00 23.09 C +ATOM 1923 C VAL J 18 14.055 -7.371 28.037 1.00 26.39 C +ATOM 1924 O VAL J 18 14.075 -7.761 29.217 1.00 28.37 O +ATOM 1925 CB VAL J 18 11.684 -8.028 27.470 1.00 20.10 C +ATOM 1926 CG1 VAL J 18 10.364 -7.344 27.157 1.00 14.39 C +ATOM 1927 CG2 VAL J 18 11.967 -9.230 26.625 1.00 15.47 C +ATOM 1928 N CYS J 19 15.115 -7.283 27.237 1.00 27.95 N +ATOM 1929 CA CYS J 19 16.456 -7.487 27.677 1.00 28.35 C +ATOM 1930 C CYS J 19 16.990 -6.095 28.025 1.00 30.90 C +ATOM 1931 O CYS J 19 17.483 -5.894 29.133 1.00 29.03 O +ATOM 1932 CB CYS J 19 17.289 -8.053 26.586 1.00 27.92 C +ATOM 1933 SG CYS J 19 16.725 -9.675 26.044 1.00 31.70 S +ATOM 1934 N GLY J 20 16.959 -5.091 27.133 1.00 34.79 N +ATOM 1935 CA GLY J 20 17.497 -3.771 27.442 1.00 36.12 C +ATOM 1936 C GLY J 20 19.038 -3.769 27.475 1.00 36.90 C +ATOM 1937 O GLY J 20 19.724 -4.566 26.785 1.00 39.76 O +ATOM 1938 N GLU J 21 19.554 -2.883 28.342 1.00 33.78 N +ATOM 1939 CA GLU J 21 20.984 -2.760 28.589 1.00 34.31 C +ATOM 1940 C GLU J 21 21.798 -4.091 28.610 1.00 33.85 C +ATOM 1941 O GLU J 21 22.956 -4.123 28.183 1.00 34.51 O +ATOM 1942 CB GLU J 21 21.132 -2.050 29.906 1.00 39.77 C +ATOM 1943 CG GLU J 21 20.510 -2.879 31.125 1.00 43.58 C +ATOM 1944 CD GLU J 21 20.929 -2.522 32.556 1.00 42.75 C +ATOM 1945 OE1 GLU J 21 21.762 -1.620 32.727 1.00 42.97 O +ATOM 1946 OE2 GLU J 21 20.427 -3.171 33.491 1.00 43.39 O +ATOM 1947 N ARG J 22 21.256 -5.214 29.115 1.00 29.19 N +ATOM 1948 CA ARG J 22 22.013 -6.432 29.171 1.00 27.25 C +ATOM 1949 C ARG J 22 22.197 -7.043 27.855 1.00 29.52 C +ATOM 1950 O ARG J 22 23.365 -7.141 27.541 1.00 30.04 O +ATOM 1951 CB ARG J 22 21.376 -7.428 30.155 1.00 30.55 C +ATOM 1952 CG ARG J 22 19.880 -7.650 30.206 1.00 31.11 C +ATOM 1953 CD ARG J 22 19.385 -8.122 31.557 1.00 29.96 C +ATOM 1954 NE ARG J 22 18.848 -9.488 31.557 1.00 29.12 N +ATOM 1955 CZ ARG J 22 17.540 -9.784 31.748 1.00 27.23 C +ATOM 1956 NH1 ARG J 22 16.644 -8.808 31.928 1.00 25.17 N +ATOM 1957 NH2 ARG J 22 17.114 -11.063 31.822 1.00 20.49 N +ATOM 1958 N GLY J 23 21.195 -7.397 27.043 1.00 33.24 N +ATOM 1959 CA GLY J 23 21.436 -7.895 25.661 1.00 32.14 C +ATOM 1960 C GLY J 23 20.956 -9.335 25.406 1.00 32.95 C +ATOM 1961 O GLY J 23 20.760 -10.055 26.394 1.00 37.59 O +ATOM 1962 N PHE J 24 20.722 -9.759 24.149 1.00 29.80 N +ATOM 1963 CA PHE J 24 20.216 -11.084 23.747 1.00 26.18 C +ATOM 1964 C PHE J 24 21.041 -11.763 22.640 1.00 23.83 C +ATOM 1965 O PHE J 24 21.996 -11.202 22.123 1.00 23.18 O +ATOM 1966 CB PHE J 24 18.727 -10.973 23.254 1.00 24.96 C +ATOM 1967 CG PHE J 24 18.534 -9.994 22.088 1.00 19.64 C +ATOM 1968 CD1 PHE J 24 18.551 -8.634 22.288 1.00 22.03 C +ATOM 1969 CD2 PHE J 24 18.396 -10.469 20.802 1.00 17.72 C +ATOM 1970 CE1 PHE J 24 18.438 -7.802 21.192 1.00 24.54 C +ATOM 1971 CE2 PHE J 24 18.284 -9.648 19.712 1.00 11.82 C +ATOM 1972 CZ PHE J 24 18.305 -8.301 19.910 1.00 17.78 C +ATOM 1973 N PHE J 25 20.666 -12.939 22.178 1.00 22.46 N +ATOM 1974 CA PHE J 25 21.357 -13.677 21.145 1.00 27.41 C +ATOM 1975 C PHE J 25 20.392 -14.051 19.995 1.00 29.53 C +ATOM 1976 O PHE J 25 19.478 -14.874 20.211 1.00 28.85 O +ATOM 1977 CB PHE J 25 21.953 -14.942 21.818 1.00 31.67 C +ATOM 1978 CG PHE J 25 21.041 -16.076 22.359 1.00 31.49 C +ATOM 1979 CD1 PHE J 25 20.654 -17.130 21.529 1.00 27.20 C +ATOM 1980 CD2 PHE J 25 20.656 -16.099 23.695 1.00 31.13 C +ATOM 1981 CE1 PHE J 25 19.915 -18.180 22.010 1.00 24.26 C +ATOM 1982 CE2 PHE J 25 19.915 -17.172 24.157 1.00 29.87 C +ATOM 1983 CZ PHE J 25 19.547 -18.207 23.326 1.00 22.54 C +ATOM 1984 N TYR J 26 20.429 -13.539 18.758 1.00 26.61 N +ATOM 1985 CA TYR J 26 19.379 -13.993 17.839 1.00 25.30 C +ATOM 1986 C TYR J 26 19.802 -14.919 16.726 1.00 28.24 C +ATOM 1987 O TYR J 26 20.170 -14.457 15.636 1.00 28.65 O +ATOM 1988 CB TYR J 26 18.632 -12.766 17.184 1.00 23.04 C +ATOM 1989 CG TYR J 26 17.433 -13.201 16.387 1.00 11.36 C +ATOM 1990 CD1 TYR J 26 16.482 -13.904 17.031 1.00 11.09 C +ATOM 1991 CD2 TYR J 26 17.353 -12.957 15.057 1.00 15.31 C +ATOM 1992 CE1 TYR J 26 15.404 -14.401 16.381 1.00 15.40 C +ATOM 1993 CE2 TYR J 26 16.256 -13.463 14.375 1.00 18.35 C +ATOM 1994 CZ TYR J 26 15.284 -14.178 15.044 1.00 15.55 C +ATOM 1995 OH TYR J 26 14.124 -14.611 14.415 1.00 19.37 O +ATOM 1996 N THR J 27 19.822 -16.229 16.953 1.00 30.49 N +ATOM 1997 CA THR J 27 20.000 -17.091 15.787 1.00 32.18 C +ATOM 1998 C THR J 27 18.674 -17.820 15.527 1.00 30.64 C +ATOM 1999 O THR J 27 17.866 -18.171 16.424 1.00 27.68 O +ATOM 2000 CB THR J 27 21.202 -18.096 15.984 1.00 32.04 C +ATOM 2001 OG1 THR J 27 21.545 -18.526 14.665 1.00 37.28 O +ATOM 2002 CG2 THR J 27 20.904 -19.343 16.680 1.00 33.77 C +ATOM 2003 N PRO J 28 18.386 -17.898 14.229 1.00 30.04 N +ATOM 2004 CA PRO J 28 17.188 -18.546 13.811 1.00 34.70 C +ATOM 2005 C PRO J 28 17.296 -20.015 14.259 1.00 38.30 C +ATOM 2006 O PRO J 28 16.581 -20.424 15.194 1.00 40.57 O +ATOM 2007 CB PRO J 28 17.139 -18.330 12.285 1.00 31.99 C +ATOM 2008 CG PRO J 28 18.205 -17.405 11.892 1.00 29.53 C +ATOM 2009 CD PRO J 28 18.986 -17.106 13.165 1.00 29.06 C +ATOM 2010 N LYS J 29 18.321 -20.703 13.702 1.00 40.84 N +ATOM 2011 CA LYS J 29 18.478 -22.131 13.824 1.00 40.54 C +ATOM 2012 C LYS J 29 18.396 -22.644 15.252 1.00 42.67 C +ATOM 2013 O LYS J 29 17.524 -23.489 15.522 1.00 44.05 O +ATOM 2014 CB LYS J 29 19.807 -22.523 13.108 1.00 39.36 C +ATOM 2015 CG LYS J 29 21.193 -22.262 13.705 1.00 39.85 C +ATOM 2016 CD LYS J 29 21.868 -23.657 13.944 1.00 42.44 C +ATOM 2017 CE LYS J 29 23.228 -23.634 14.698 1.00 41.92 C +ATOM 2018 NZ LYS J 29 23.129 -23.254 16.120 1.00 40.68 N +ATOM 2019 N ALA J 30 19.192 -22.099 16.193 1.00 44.00 N +ATOM 2020 CA ALA J 30 19.190 -22.578 17.575 1.00 45.47 C +ATOM 2021 C ALA J 30 19.500 -21.539 18.713 1.00 47.45 C +ATOM 2022 O ALA J 30 18.611 -20.740 19.059 1.00 44.81 O +ATOM 2023 CB ALA J 30 20.178 -23.751 17.597 1.00 44.21 C +ATOM 2024 OXT ALA J 30 20.621 -21.513 19.257 1.00 48.92 O +TER 2025 ALA J 30 +ATOM 2026 N GLY K 1 31.082 -0.938 21.539 1.00 25.88 N +ATOM 2027 CA GLY K 1 31.300 -1.518 20.228 1.00 26.87 C +ATOM 2028 C GLY K 1 30.287 -0.980 19.249 1.00 24.24 C +ATOM 2029 O GLY K 1 30.222 0.242 19.129 1.00 25.62 O +ATOM 2030 N ILE K 2 29.387 -1.870 18.799 1.00 23.25 N +ATOM 2031 CA ILE K 2 28.288 -1.542 17.888 1.00 23.02 C +ATOM 2032 C ILE K 2 27.534 -0.248 18.166 1.00 21.75 C +ATOM 2033 O ILE K 2 27.456 0.588 17.276 1.00 25.32 O +ATOM 2034 CB ILE K 2 27.344 -2.772 17.858 1.00 24.80 C +ATOM 2035 CG1 ILE K 2 26.439 -2.601 16.620 1.00 25.93 C +ATOM 2036 CG2 ILE K 2 26.557 -2.946 19.141 1.00 23.91 C +ATOM 2037 CD1 ILE K 2 25.759 -3.943 16.256 1.00 21.79 C +ATOM 2038 N VAL K 3 27.079 0.020 19.390 1.00 23.80 N +ATOM 2039 CA VAL K 3 26.427 1.280 19.732 1.00 22.97 C +ATOM 2040 C VAL K 3 27.368 2.456 19.688 1.00 25.08 C +ATOM 2041 O VAL K 3 26.896 3.478 19.262 1.00 26.22 O +ATOM 2042 CB VAL K 3 25.728 1.175 21.132 1.00 22.79 C +ATOM 2043 CG1 VAL K 3 26.709 0.596 22.117 1.00 28.65 C +ATOM 2044 CG2 VAL K 3 25.225 2.561 21.592 1.00 17.40 C +ATOM 2045 N GLU K 4 28.634 2.508 20.044 1.00 32.00 N +ATOM 2046 CA GLU K 4 29.371 3.745 19.777 1.00 31.90 C +ATOM 2047 C GLU K 4 30.214 3.619 18.498 1.00 31.72 C +ATOM 2048 O GLU K 4 31.138 4.373 18.236 1.00 34.07 O +ATOM 2049 CB GLU K 4 30.283 4.095 20.960 1.00 36.56 C +ATOM 2050 CG GLU K 4 29.882 5.488 21.572 1.00 39.89 C +ATOM 2051 CD GLU K 4 31.021 6.359 22.143 1.00 42.01 C +ATOM 2052 OE1 GLU K 4 32.113 5.848 22.451 1.00 42.05 O +ATOM 2053 OE2 GLU K 4 30.792 7.567 22.273 1.00 38.22 O +ATOM 2054 N GLN K 5 29.892 2.689 17.614 1.00 30.32 N +ATOM 2055 CA GLN K 5 30.503 2.679 16.297 1.00 29.09 C +ATOM 2056 C GLN K 5 29.330 3.254 15.474 1.00 28.86 C +ATOM 2057 O GLN K 5 29.227 4.468 15.260 1.00 24.82 O +ATOM 2058 CB GLN K 5 30.866 1.249 15.912 1.00 31.41 C +ATOM 2059 CG GLN K 5 32.329 1.016 15.524 1.00 32.59 C +ATOM 2060 CD GLN K 5 32.873 2.041 14.548 1.00 35.63 C +ATOM 2061 OE1 GLN K 5 32.563 2.035 13.350 1.00 34.45 O +ATOM 2062 NE2 GLN K 5 33.685 2.979 15.042 1.00 38.56 N +ATOM 2063 N CYS K 6 28.285 2.434 15.347 1.00 28.06 N +ATOM 2064 CA CYS K 6 27.148 2.691 14.505 1.00 24.81 C +ATOM 2065 C CYS K 6 26.179 3.787 14.905 1.00 23.75 C +ATOM 2066 O CYS K 6 25.305 4.147 14.117 1.00 20.93 O +ATOM 2067 CB CYS K 6 26.446 1.387 14.378 1.00 22.30 C +ATOM 2068 SG CYS K 6 27.663 0.236 13.725 1.00 33.32 S +ATOM 2069 N CYS K 7 26.331 4.343 16.114 1.00 25.82 N +ATOM 2070 CA CYS K 7 25.513 5.472 16.553 1.00 26.91 C +ATOM 2071 C CYS K 7 26.234 6.795 16.384 1.00 27.64 C +ATOM 2072 O CYS K 7 25.665 7.870 16.134 1.00 30.57 O +ATOM 2073 CB CYS K 7 25.113 5.372 18.039 1.00 27.92 C +ATOM 2074 SG CYS K 7 24.194 3.907 18.592 1.00 27.10 S +ATOM 2075 N THR K 8 27.558 6.765 16.468 1.00 28.85 N +ATOM 2076 CA THR K 8 28.349 7.991 16.346 1.00 28.39 C +ATOM 2077 C THR K 8 28.430 8.475 14.893 1.00 29.02 C +ATOM 2078 O THR K 8 28.008 9.615 14.611 1.00 27.42 O +ATOM 2079 CB THR K 8 29.712 7.660 17.068 1.00 26.87 C +ATOM 2080 OG1 THR K 8 30.110 6.293 16.923 1.00 20.52 O +ATOM 2081 CG2 THR K 8 29.482 7.987 18.559 1.00 19.19 C +ATOM 2082 N SER K 9 28.910 7.681 13.956 1.00 29.99 N +ATOM 2083 CA SER K 9 28.702 7.951 12.546 1.00 33.98 C +ATOM 2084 C SER K 9 28.134 6.645 11.983 1.00 32.96 C +ATOM 2085 O SER K 9 28.353 5.576 12.544 1.00 32.60 O +ATOM 2086 CB SER K 9 30.038 8.370 11.878 1.00 36.74 C +ATOM 2087 OG SER K 9 30.187 9.817 11.755 1.00 35.80 O +ATOM 2088 N ILE K 10 27.351 6.765 10.916 1.00 33.35 N +ATOM 2089 CA ILE K 10 26.589 5.675 10.297 1.00 35.61 C +ATOM 2090 C ILE K 10 27.463 4.472 9.922 1.00 34.36 C +ATOM 2091 O ILE K 10 28.609 4.627 9.468 1.00 37.42 O +ATOM 2092 CB ILE K 10 25.827 6.265 9.008 1.00 40.97 C +ATOM 2093 CG1 ILE K 10 24.934 7.438 9.470 1.00 40.13 C +ATOM 2094 CG2 ILE K 10 25.002 5.177 8.253 1.00 37.84 C +ATOM 2095 CD1 ILE K 10 24.953 8.551 8.393 1.00 41.15 C +ATOM 2096 N CYS K 11 26.980 3.251 10.100 1.00 32.43 N +ATOM 2097 CA CYS K 11 27.734 2.087 9.703 1.00 31.45 C +ATOM 2098 C CYS K 11 27.220 1.624 8.368 1.00 32.73 C +ATOM 2099 O CYS K 11 26.060 1.814 7.965 1.00 34.70 O +ATOM 2100 CB CYS K 11 27.598 0.927 10.687 1.00 31.29 C +ATOM 2101 SG CYS K 11 28.572 1.158 12.190 1.00 28.16 S +ATOM 2102 N SER K 12 28.147 1.021 7.662 1.00 30.28 N +ATOM 2103 CA SER K 12 27.774 0.557 6.376 1.00 31.18 C +ATOM 2104 C SER K 12 27.412 -0.929 6.479 1.00 30.11 C +ATOM 2105 O SER K 12 27.628 -1.567 7.523 1.00 32.64 O +ATOM 2106 CB SER K 12 28.967 0.930 5.528 1.00 36.10 C +ATOM 2107 OG SER K 12 28.996 2.356 5.489 1.00 42.77 O +ATOM 2108 N LEU K 13 26.848 -1.528 5.427 1.00 26.20 N +ATOM 2109 CA LEU K 13 26.431 -2.921 5.423 1.00 24.14 C +ATOM 2110 C LEU K 13 27.612 -3.819 5.753 1.00 22.97 C +ATOM 2111 O LEU K 13 27.441 -4.880 6.333 1.00 26.93 O +ATOM 2112 CB LEU K 13 25.880 -3.216 4.044 1.00 27.05 C +ATOM 2113 CG LEU K 13 24.602 -3.966 3.711 1.00 29.26 C +ATOM 2114 CD1 LEU K 13 24.774 -5.427 4.106 1.00 27.83 C +ATOM 2115 CD2 LEU K 13 23.410 -3.253 4.365 1.00 29.89 C +ATOM 2116 N TYR K 14 28.822 -3.447 5.339 1.00 22.15 N +ATOM 2117 CA TYR K 14 30.002 -4.184 5.661 1.00 21.48 C +ATOM 2118 C TYR K 14 30.330 -4.014 7.148 1.00 20.35 C +ATOM 2119 O TYR K 14 30.579 -4.989 7.833 1.00 18.60 O +ATOM 2120 CB TYR K 14 31.239 -3.731 4.925 1.00 26.93 C +ATOM 2121 CG TYR K 14 31.374 -2.683 3.819 1.00 37.56 C +ATOM 2122 CD1 TYR K 14 31.171 -3.034 2.473 1.00 41.41 C +ATOM 2123 CD2 TYR K 14 31.912 -1.431 4.133 1.00 37.17 C +ATOM 2124 CE1 TYR K 14 31.514 -2.131 1.458 1.00 41.64 C +ATOM 2125 CE2 TYR K 14 32.254 -0.541 3.129 1.00 40.51 C +ATOM 2126 CZ TYR K 14 32.068 -0.896 1.793 1.00 43.64 C +ATOM 2127 OH TYR K 14 32.455 -0.024 0.776 1.00 42.66 O +ATOM 2128 N GLN K 15 30.400 -2.813 7.699 1.00 18.87 N +ATOM 2129 CA GLN K 15 30.610 -2.666 9.138 1.00 24.33 C +ATOM 2130 C GLN K 15 29.688 -3.577 9.940 1.00 26.47 C +ATOM 2131 O GLN K 15 30.189 -4.456 10.655 1.00 27.94 O +ATOM 2132 CB GLN K 15 30.363 -1.223 9.627 1.00 21.62 C +ATOM 2133 CG GLN K 15 31.642 -0.453 9.733 1.00 25.34 C +ATOM 2134 CD GLN K 15 31.625 0.810 8.920 1.00 28.66 C +ATOM 2135 OE1 GLN K 15 32.210 0.834 7.854 1.00 33.98 O +ATOM 2136 NE2 GLN K 15 30.924 1.871 9.266 1.00 29.65 N +ATOM 2137 N LEU K 16 28.355 -3.406 9.692 1.00 26.38 N +ATOM 2138 CA LEU K 16 27.272 -4.195 10.289 1.00 20.57 C +ATOM 2139 C LEU K 16 27.559 -5.673 10.156 1.00 19.21 C +ATOM 2140 O LEU K 16 27.390 -6.457 11.049 1.00 20.96 O +ATOM 2141 CB LEU K 16 25.928 -3.893 9.585 1.00 17.14 C +ATOM 2142 CG LEU K 16 24.791 -3.063 10.165 1.00 12.70 C +ATOM 2143 CD1 LEU K 16 25.265 -1.761 10.738 1.00 9.65 C +ATOM 2144 CD2 LEU K 16 23.838 -2.770 9.044 1.00 14.00 C +ATOM 2145 N GLU K 17 28.109 -6.057 9.046 1.00 21.68 N +ATOM 2146 CA GLU K 17 28.356 -7.431 8.743 1.00 27.71 C +ATOM 2147 C GLU K 17 29.424 -7.936 9.673 1.00 27.83 C +ATOM 2148 O GLU K 17 29.329 -9.131 9.958 1.00 33.03 O +ATOM 2149 CB GLU K 17 28.772 -7.581 7.247 1.00 28.92 C +ATOM 2150 CG GLU K 17 28.611 -9.027 6.813 1.00 33.27 C +ATOM 2151 CD GLU K 17 28.785 -9.378 5.316 1.00 37.33 C +ATOM 2152 OE1 GLU K 17 29.764 -8.921 4.674 1.00 32.86 O +ATOM 2153 OE2 GLU K 17 27.930 -10.157 4.827 1.00 38.54 O +ATOM 2154 N ASN K 18 30.393 -7.241 10.278 1.00 27.70 N +ATOM 2155 CA ASN K 18 31.245 -8.005 11.200 1.00 28.72 C +ATOM 2156 C ASN K 18 30.845 -7.872 12.661 1.00 29.80 C +ATOM 2157 O ASN K 18 31.644 -7.620 13.588 1.00 31.69 O +ATOM 2158 CB ASN K 18 32.723 -7.629 11.014 1.00 25.97 C +ATOM 2159 CG ASN K 18 33.177 -8.098 9.620 1.00 26.30 C +ATOM 2160 OD1 ASN K 18 33.148 -7.275 8.702 1.00 25.47 O +ATOM 2161 ND2 ASN K 18 33.584 -9.356 9.333 1.00 17.03 N +ATOM 2162 N TYR K 19 29.523 -8.080 12.753 1.00 28.33 N +ATOM 2163 CA TYR K 19 28.694 -8.053 13.948 1.00 27.61 C +ATOM 2164 C TYR K 19 27.774 -9.261 14.028 1.00 25.74 C +ATOM 2165 O TYR K 19 27.218 -9.557 15.084 1.00 24.88 O +ATOM 2166 CB TYR K 19 27.930 -6.728 13.922 1.00 27.41 C +ATOM 2167 CG TYR K 19 28.785 -5.491 14.271 1.00 30.49 C +ATOM 2168 CD1 TYR K 19 29.632 -5.531 15.380 1.00 34.36 C +ATOM 2169 CD2 TYR K 19 28.692 -4.318 13.558 1.00 31.56 C +ATOM 2170 CE1 TYR K 19 30.374 -4.450 15.806 1.00 31.54 C +ATOM 2171 CE2 TYR K 19 29.424 -3.204 13.977 1.00 36.49 C +ATOM 2172 CZ TYR K 19 30.264 -3.277 15.097 1.00 37.18 C +ATOM 2173 OH TYR K 19 30.984 -2.171 15.551 1.00 41.63 O +ATOM 2174 N CYS K 20 27.685 -9.998 12.913 1.00 25.13 N +ATOM 2175 CA CYS K 20 26.903 -11.224 12.751 1.00 27.45 C +ATOM 2176 C CYS K 20 27.709 -12.433 13.211 1.00 29.49 C +ATOM 2177 O CYS K 20 28.924 -12.299 13.360 1.00 31.59 O +ATOM 2178 CB CYS K 20 26.523 -11.492 11.281 1.00 25.62 C +ATOM 2179 SG CYS K 20 25.665 -10.178 10.372 1.00 26.87 S +ATOM 2180 N ASN K 21 27.069 -13.596 13.407 1.00 32.82 N +ATOM 2181 CA ASN K 21 27.684 -14.855 13.817 1.00 33.18 C +ATOM 2182 C ASN K 21 26.845 -16.026 13.310 1.00 34.00 C +ATOM 2183 O ASN K 21 27.349 -17.147 13.234 1.00 36.84 O +ATOM 2184 CB ASN K 21 27.807 -14.981 15.359 1.00 32.83 C +ATOM 2185 CG ASN K 21 26.599 -14.759 16.260 1.00 30.44 C +ATOM 2186 OD1 ASN K 21 25.556 -15.398 16.165 1.00 35.37 O +ATOM 2187 ND2 ASN K 21 26.659 -13.853 17.245 1.00 30.13 N +ATOM 2188 OXT ASN K 21 25.690 -15.814 12.953 1.00 33.65 O +TER 2189 ASN K 21 +ATOM 2190 N PHE L 1 20.669 8.070 28.399 1.00 29.10 N +ATOM 2191 CA PHE L 1 19.680 9.031 27.929 1.00 30.02 C +ATOM 2192 C PHE L 1 18.837 8.206 26.957 1.00 31.27 C +ATOM 2193 O PHE L 1 19.093 7.010 26.805 1.00 29.54 O +ATOM 2194 CB PHE L 1 20.361 10.199 27.171 1.00 32.92 C +ATOM 2195 CG PHE L 1 20.023 11.654 27.537 1.00 33.50 C +ATOM 2196 CD1 PHE L 1 19.002 12.325 26.900 1.00 32.70 C +ATOM 2197 CD2 PHE L 1 20.758 12.344 28.488 1.00 36.39 C +ATOM 2198 CE1 PHE L 1 18.762 13.637 27.238 1.00 34.09 C +ATOM 2199 CE2 PHE L 1 20.488 13.673 28.806 1.00 33.00 C +ATOM 2200 CZ PHE L 1 19.483 14.333 28.180 1.00 31.57 C +ATOM 2201 N VAL L 2 17.863 8.766 26.214 1.00 32.78 N +ATOM 2202 CA VAL L 2 17.028 7.930 25.329 1.00 32.23 C +ATOM 2203 C VAL L 2 17.578 7.817 23.907 1.00 31.32 C +ATOM 2204 O VAL L 2 17.467 6.761 23.307 1.00 28.39 O +ATOM 2205 CB VAL L 2 15.591 8.490 25.329 1.00 33.36 C +ATOM 2206 CG1 VAL L 2 15.478 9.822 24.587 1.00 33.19 C +ATOM 2207 CG2 VAL L 2 14.732 7.376 24.791 1.00 32.05 C +ATOM 2208 N ASN L 3 18.302 8.851 23.441 1.00 32.04 N +ATOM 2209 CA ASN L 3 19.010 8.910 22.150 1.00 29.54 C +ATOM 2210 C ASN L 3 19.844 7.633 21.878 1.00 30.12 C +ATOM 2211 O ASN L 3 20.024 7.224 20.728 1.00 33.03 O +ATOM 2212 CB ASN L 3 20.031 10.119 22.049 1.00 28.68 C +ATOM 2213 CG ASN L 3 19.659 11.534 22.516 1.00 29.13 C +ATOM 2214 OD1 ASN L 3 19.824 12.542 21.838 1.00 24.77 O +ATOM 2215 ND2 ASN L 3 19.202 11.732 23.750 1.00 29.35 N +ATOM 2216 N GLN L 4 20.410 6.924 22.868 1.00 31.49 N +ATOM 2217 CA GLN L 4 21.194 5.698 22.597 1.00 31.08 C +ATOM 2218 C GLN L 4 20.226 4.520 22.554 1.00 27.67 C +ATOM 2219 O GLN L 4 20.351 3.563 21.784 1.00 25.54 O +ATOM 2220 CB GLN L 4 22.254 5.364 23.689 1.00 33.64 C +ATOM 2221 CG GLN L 4 23.189 6.456 24.286 1.00 38.60 C +ATOM 2222 CD GLN L 4 22.480 7.378 25.289 1.00 41.63 C +ATOM 2223 OE1 GLN L 4 21.642 6.948 26.093 1.00 44.78 O +ATOM 2224 NE2 GLN L 4 22.677 8.689 25.296 1.00 38.49 N +ATOM 2225 N HIS L 5 19.160 4.659 23.339 1.00 25.09 N +ATOM 2226 CA HIS L 5 18.166 3.629 23.442 1.00 24.39 C +ATOM 2227 C HIS L 5 17.494 3.373 22.111 1.00 22.07 C +ATOM 2228 O HIS L 5 17.332 2.209 21.753 1.00 19.74 O +ATOM 2229 CB HIS L 5 17.141 4.039 24.519 1.00 27.88 C +ATOM 2230 CG HIS L 5 16.133 2.937 24.748 1.00 28.96 C +ATOM 2231 ND1 HIS L 5 14.957 2.776 24.151 1.00 31.31 N +ATOM 2232 CD2 HIS L 5 16.360 1.849 25.555 1.00 33.37 C +ATOM 2233 CE1 HIS L 5 14.472 1.625 24.552 1.00 36.01 C +ATOM 2234 NE2 HIS L 5 15.316 1.074 25.401 1.00 35.72 N +ATOM 2235 N LEU L 6 17.095 4.440 21.420 1.00 18.83 N +ATOM 2236 CA LEU L 6 16.420 4.358 20.152 1.00 16.60 C +ATOM 2237 C LEU L 6 17.391 3.984 19.013 1.00 22.38 C +ATOM 2238 O LEU L 6 16.952 3.290 18.055 1.00 21.79 O +ATOM 2239 CB LEU L 6 15.750 5.698 19.895 1.00 14.80 C +ATOM 2240 CG LEU L 6 14.860 6.325 20.995 1.00 15.28 C +ATOM 2241 CD1 LEU L 6 14.452 7.669 20.484 1.00 12.17 C +ATOM 2242 CD2 LEU L 6 13.650 5.509 21.364 1.00 11.72 C +ATOM 2243 N CYS L 7 18.703 4.369 19.109 1.00 22.88 N +ATOM 2244 CA CYS L 7 19.725 4.046 18.095 1.00 17.93 C +ATOM 2245 C CYS L 7 19.752 2.562 17.935 1.00 18.33 C +ATOM 2246 O CYS L 7 19.591 2.030 16.840 1.00 20.29 O +ATOM 2247 CB CYS L 7 21.154 4.503 18.499 1.00 20.39 C +ATOM 2248 SG CYS L 7 22.502 3.835 17.477 1.00 26.45 S +ATOM 2249 N GLY L 8 19.785 1.910 19.085 1.00 16.16 N +ATOM 2250 CA GLY L 8 19.798 0.456 19.170 1.00 17.56 C +ATOM 2251 C GLY L 8 18.544 -0.279 18.662 1.00 15.71 C +ATOM 2252 O GLY L 8 18.644 -1.461 18.296 1.00 15.40 O +ATOM 2253 N SER L 9 17.351 0.343 18.596 1.00 18.92 N +ATOM 2254 CA SER L 9 16.213 -0.346 18.019 1.00 19.50 C +ATOM 2255 C SER L 9 16.383 -0.250 16.514 1.00 21.90 C +ATOM 2256 O SER L 9 16.081 -1.197 15.789 1.00 28.19 O +ATOM 2257 CB SER L 9 14.903 0.266 18.439 1.00 17.02 C +ATOM 2258 OG SER L 9 14.974 1.688 18.535 1.00 26.76 O +ATOM 2259 N HIS L 10 16.999 0.813 15.988 1.00 22.28 N +ATOM 2260 CA HIS L 10 17.311 0.874 14.571 1.00 16.62 C +ATOM 2261 C HIS L 10 18.497 0.033 14.176 1.00 18.78 C +ATOM 2262 O HIS L 10 18.621 -0.429 13.044 1.00 21.05 O +ATOM 2263 CB HIS L 10 17.532 2.309 14.213 1.00 15.60 C +ATOM 2264 CG HIS L 10 16.222 3.080 14.300 1.00 10.75 C +ATOM 2265 ND1 HIS L 10 15.276 3.173 13.409 1.00 12.10 N +ATOM 2266 CD2 HIS L 10 15.834 3.847 15.334 1.00 14.97 C +ATOM 2267 CE1 HIS L 10 14.347 3.957 13.843 1.00 13.79 C +ATOM 2268 NE2 HIS L 10 14.695 4.371 15.025 1.00 17.55 N +ATOM 2269 N LEU L 11 19.374 -0.243 15.125 1.00 17.61 N +ATOM 2270 CA LEU L 11 20.571 -1.043 14.940 1.00 17.03 C +ATOM 2271 C LEU L 11 20.329 -2.558 14.896 1.00 20.45 C +ATOM 2272 O LEU L 11 20.762 -3.340 14.033 1.00 24.54 O +ATOM 2273 CB LEU L 11 21.488 -0.660 16.082 1.00 17.58 C +ATOM 2274 CG LEU L 11 22.970 -0.308 16.038 1.00 18.00 C +ATOM 2275 CD1 LEU L 11 23.571 -0.399 17.460 1.00 11.47 C +ATOM 2276 CD2 LEU L 11 23.673 -1.264 15.079 1.00 18.09 C +ATOM 2277 N VAL L 12 19.612 -3.042 15.899 1.00 24.44 N +ATOM 2278 CA VAL L 12 19.285 -4.479 16.097 1.00 23.97 C +ATOM 2279 C VAL L 12 18.463 -5.058 14.927 1.00 22.96 C +ATOM 2280 O VAL L 12 18.547 -6.199 14.491 1.00 25.31 O +ATOM 2281 CB VAL L 12 18.613 -4.383 17.507 1.00 25.82 C +ATOM 2282 CG1 VAL L 12 17.129 -4.695 17.484 1.00 27.66 C +ATOM 2283 CG2 VAL L 12 19.380 -5.260 18.425 1.00 24.86 C +ATOM 2284 N GLU L 13 17.657 -4.150 14.375 1.00 22.37 N +ATOM 2285 CA GLU L 13 16.825 -4.320 13.204 1.00 14.37 C +ATOM 2286 C GLU L 13 17.669 -4.412 11.984 1.00 12.66 C +ATOM 2287 O GLU L 13 17.538 -5.345 11.237 1.00 14.46 O +ATOM 2288 CB GLU L 13 15.874 -3.145 13.001 1.00 14.73 C +ATOM 2289 CG GLU L 13 14.738 -3.488 12.126 1.00 14.11 C +ATOM 2290 CD GLU L 13 14.315 -4.928 12.357 1.00 24.48 C +ATOM 2291 OE1 GLU L 13 13.736 -5.240 13.418 1.00 28.04 O +ATOM 2292 OE2 GLU L 13 14.637 -5.749 11.474 1.00 29.46 O +ATOM 2293 N ALA L 14 18.563 -3.497 11.717 1.00 11.08 N +ATOM 2294 CA ALA L 14 19.452 -3.632 10.580 1.00 11.22 C +ATOM 2295 C ALA L 14 20.253 -4.914 10.568 1.00 10.02 C +ATOM 2296 O ALA L 14 20.516 -5.499 9.522 1.00 9.58 O +ATOM 2297 CB ALA L 14 20.393 -2.451 10.597 1.00 13.12 C +ATOM 2298 N LEU L 15 20.636 -5.418 11.736 1.00 13.62 N +ATOM 2299 CA LEU L 15 21.412 -6.621 11.819 1.00 11.46 C +ATOM 2300 C LEU L 15 20.524 -7.777 11.574 1.00 12.00 C +ATOM 2301 O LEU L 15 20.945 -8.800 11.046 1.00 18.06 O +ATOM 2302 CB LEU L 15 22.009 -6.773 13.155 1.00 11.24 C +ATOM 2303 CG LEU L 15 23.133 -5.922 13.689 1.00 10.95 C +ATOM 2304 CD1 LEU L 15 23.082 -5.951 15.215 1.00 13.97 C +ATOM 2305 CD2 LEU L 15 24.447 -6.469 13.212 1.00 12.27 C +ATOM 2306 N TYR L 16 19.277 -7.710 11.929 1.00 10.73 N +ATOM 2307 CA TYR L 16 18.403 -8.778 11.521 1.00 10.15 C +ATOM 2308 C TYR L 16 18.411 -8.953 9.983 1.00 10.80 C +ATOM 2309 O TYR L 16 18.380 -10.029 9.411 1.00 10.17 O +ATOM 2310 CB TYR L 16 17.061 -8.380 12.124 1.00 9.71 C +ATOM 2311 CG TYR L 16 16.020 -9.297 11.615 1.00 12.05 C +ATOM 2312 CD1 TYR L 16 15.889 -10.492 12.248 1.00 14.28 C +ATOM 2313 CD2 TYR L 16 15.286 -8.969 10.494 1.00 15.64 C +ATOM 2314 CE1 TYR L 16 15.033 -11.419 11.731 1.00 10.58 C +ATOM 2315 CE2 TYR L 16 14.427 -9.900 9.969 1.00 13.83 C +ATOM 2316 CZ TYR L 16 14.325 -11.117 10.613 1.00 15.87 C +ATOM 2317 OH TYR L 16 13.535 -12.111 10.072 1.00 24.44 O +ATOM 2318 N LEU L 17 18.538 -7.846 9.314 1.00 10.92 N +ATOM 2319 CA LEU L 17 18.495 -7.708 7.878 1.00 17.88 C +ATOM 2320 C LEU L 17 19.826 -8.044 7.228 1.00 20.45 C +ATOM 2321 O LEU L 17 19.769 -8.838 6.308 1.00 18.51 O +ATOM 2322 CB LEU L 17 18.068 -6.232 7.565 1.00 21.24 C +ATOM 2323 CG LEU L 17 17.014 -5.745 6.543 1.00 27.38 C +ATOM 2324 CD1 LEU L 17 15.625 -6.391 6.830 1.00 28.43 C +ATOM 2325 CD2 LEU L 17 16.992 -4.211 6.593 1.00 21.74 C +ATOM 2326 N VAL L 18 21.014 -7.478 7.545 1.00 21.68 N +ATOM 2327 CA VAL L 18 22.205 -8.017 6.922 1.00 22.94 C +ATOM 2328 C VAL L 18 22.575 -9.408 7.441 1.00 23.48 C +ATOM 2329 O VAL L 18 23.162 -10.136 6.638 1.00 25.83 O +ATOM 2330 CB VAL L 18 23.410 -6.972 7.032 1.00 22.25 C +ATOM 2331 CG1 VAL L 18 23.360 -6.107 8.241 1.00 25.32 C +ATOM 2332 CG2 VAL L 18 24.735 -7.743 7.019 1.00 19.31 C +ATOM 2333 N CYS L 19 22.209 -9.946 8.622 1.00 24.82 N +ATOM 2334 CA CYS L 19 22.691 -11.262 9.019 1.00 23.62 C +ATOM 2335 C CYS L 19 21.870 -12.438 8.545 1.00 25.67 C +ATOM 2336 O CYS L 19 22.361 -13.345 7.878 1.00 28.41 O +ATOM 2337 CB CYS L 19 22.814 -11.257 10.513 1.00 24.50 C +ATOM 2338 SG CYS L 19 23.836 -9.896 11.172 1.00 25.80 S +ATOM 2339 N GLY L 20 20.612 -12.535 8.912 1.00 29.08 N +ATOM 2340 CA GLY L 20 19.675 -13.509 8.354 1.00 33.72 C +ATOM 2341 C GLY L 20 19.966 -15.008 8.305 1.00 37.26 C +ATOM 2342 O GLY L 20 19.566 -15.770 9.194 1.00 37.45 O +ATOM 2343 N GLU L 21 20.662 -15.525 7.286 1.00 40.27 N +ATOM 2344 CA GLU L 21 20.790 -16.975 7.140 1.00 42.11 C +ATOM 2345 C GLU L 21 21.759 -17.635 8.129 1.00 43.79 C +ATOM 2346 O GLU L 21 22.131 -18.811 7.977 1.00 44.24 O +ATOM 2347 CB GLU L 21 21.209 -17.258 5.682 1.00 44.27 C +ATOM 2348 CG GLU L 21 20.708 -18.624 5.157 1.00 42.36 C +ATOM 2349 CD GLU L 21 19.818 -18.581 3.912 1.00 41.51 C +ATOM 2350 OE1 GLU L 21 18.993 -17.668 3.784 1.00 42.71 O +ATOM 2351 OE2 GLU L 21 19.945 -19.493 3.091 1.00 42.71 O +ATOM 2352 N ARG L 22 22.231 -16.802 9.081 1.00 42.34 N +ATOM 2353 CA ARG L 22 23.191 -16.997 10.196 1.00 37.84 C +ATOM 2354 C ARG L 22 22.596 -16.173 11.357 1.00 35.65 C +ATOM 2355 O ARG L 22 21.582 -15.527 11.076 1.00 42.96 O +ATOM 2356 CB ARG L 22 24.556 -16.441 9.731 1.00 36.40 C +ATOM 2357 CG ARG L 22 24.556 -15.006 9.228 1.00 28.63 C +ATOM 2358 CD ARG L 22 25.373 -14.883 8.005 1.00 20.63 C +ATOM 2359 NE ARG L 22 26.572 -14.158 8.344 1.00 27.95 N +ATOM 2360 CZ ARG L 22 27.093 -13.244 7.493 1.00 33.04 C +ATOM 2361 NH1 ARG L 22 26.551 -12.924 6.310 1.00 35.02 N +ATOM 2362 NH2 ARG L 22 28.273 -12.691 7.737 1.00 33.62 N +ATOM 2363 N GLY L 23 22.957 -16.038 12.621 1.00 32.83 N +ATOM 2364 CA GLY L 23 22.217 -15.110 13.465 1.00 26.00 C +ATOM 2365 C GLY L 23 23.067 -13.952 13.831 1.00 25.26 C +ATOM 2366 O GLY L 23 23.836 -13.450 13.029 1.00 28.10 O +ATOM 2367 N PHE L 24 22.868 -13.446 15.033 1.00 26.46 N +ATOM 2368 CA PHE L 24 23.711 -12.423 15.605 1.00 27.22 C +ATOM 2369 C PHE L 24 23.675 -12.356 17.136 1.00 32.15 C +ATOM 2370 O PHE L 24 22.847 -12.977 17.835 1.00 34.25 O +ATOM 2371 CB PHE L 24 23.345 -11.065 15.016 1.00 20.97 C +ATOM 2372 CG PHE L 24 22.020 -10.395 15.358 1.00 21.07 C +ATOM 2373 CD1 PHE L 24 20.895 -10.638 14.580 1.00 15.41 C +ATOM 2374 CD2 PHE L 24 21.987 -9.525 16.440 1.00 14.21 C +ATOM 2375 CE1 PHE L 24 19.759 -9.985 14.922 1.00 14.65 C +ATOM 2376 CE2 PHE L 24 20.828 -8.893 16.752 1.00 11.14 C +ATOM 2377 CZ PHE L 24 19.734 -9.127 15.992 1.00 10.00 C +ATOM 2378 N PHE L 25 24.693 -11.686 17.691 1.00 33.99 N +ATOM 2379 CA PHE L 25 24.754 -11.427 19.134 1.00 29.77 C +ATOM 2380 C PHE L 25 24.290 -10.012 19.285 1.00 24.76 C +ATOM 2381 O PHE L 25 24.339 -9.236 18.341 1.00 27.41 O +ATOM 2382 CB PHE L 25 26.215 -11.534 19.722 1.00 34.26 C +ATOM 2383 CG PHE L 25 26.267 -12.433 20.958 1.00 34.74 C +ATOM 2384 CD1 PHE L 25 26.002 -11.911 22.195 1.00 35.82 C +ATOM 2385 CD2 PHE L 25 26.422 -13.804 20.838 1.00 36.33 C +ATOM 2386 CE1 PHE L 25 25.861 -12.750 23.295 1.00 41.73 C +ATOM 2387 CE2 PHE L 25 26.278 -14.620 21.960 1.00 39.24 C +ATOM 2388 CZ PHE L 25 25.986 -14.115 23.202 1.00 38.25 C +ATOM 2389 N TYR L 26 23.753 -9.638 20.411 1.00 25.31 N +ATOM 2390 CA TYR L 26 23.580 -8.223 20.675 1.00 27.65 C +ATOM 2391 C TYR L 26 23.586 -8.064 22.196 1.00 29.78 C +ATOM 2392 O TYR L 26 22.640 -8.413 22.874 1.00 32.25 O +ATOM 2393 CB TYR L 26 22.268 -7.686 20.057 1.00 25.10 C +ATOM 2394 CG TYR L 26 22.239 -6.182 20.164 1.00 19.50 C +ATOM 2395 CD1 TYR L 26 22.829 -5.408 19.196 1.00 17.62 C +ATOM 2396 CD2 TYR L 26 21.667 -5.612 21.281 1.00 24.20 C +ATOM 2397 CE1 TYR L 26 22.850 -4.049 19.345 1.00 19.03 C +ATOM 2398 CE2 TYR L 26 21.685 -4.246 21.443 1.00 22.51 C +ATOM 2399 CZ TYR L 26 22.286 -3.471 20.477 1.00 21.49 C +ATOM 2400 OH TYR L 26 22.351 -2.099 20.692 1.00 22.23 O +ATOM 2401 N THR L 27 24.686 -7.494 22.697 1.00 32.40 N +ATOM 2402 CA THR L 27 25.037 -7.194 24.089 1.00 30.34 C +ATOM 2403 C THR L 27 25.688 -5.811 23.928 1.00 29.90 C +ATOM 2404 O THR L 27 26.689 -5.701 23.192 1.00 31.90 O +ATOM 2405 CB THR L 27 26.125 -8.196 24.702 1.00 29.87 C +ATOM 2406 OG1 THR L 27 26.977 -8.566 23.620 1.00 33.41 O +ATOM 2407 CG2 THR L 27 25.580 -9.471 25.315 1.00 22.97 C +ATOM 2408 N PRO L 28 25.121 -4.744 24.497 1.00 30.25 N +ATOM 2409 CA PRO L 28 25.801 -3.479 24.747 1.00 30.97 C +ATOM 2410 C PRO L 28 26.831 -3.546 25.869 1.00 32.10 C +ATOM 2411 O PRO L 28 27.854 -2.859 25.813 1.00 34.52 O +ATOM 2412 CB PRO L 28 24.688 -2.486 25.057 1.00 32.88 C +ATOM 2413 CG PRO L 28 23.403 -3.202 24.626 1.00 28.98 C +ATOM 2414 CD PRO L 28 23.708 -4.662 24.867 1.00 29.74 C +ATOM 2415 N LYS L 29 26.621 -4.327 26.934 1.00 33.87 N +ATOM 2416 CA LYS L 29 27.600 -4.385 28.022 1.00 35.33 C +ATOM 2417 C LYS L 29 28.704 -5.295 27.522 1.00 36.29 C +ATOM 2418 O LYS L 29 28.659 -6.515 27.714 1.00 36.29 O +ATOM 2419 CB LYS L 29 26.951 -4.961 29.336 1.00 36.85 C +ATOM 2420 CG LYS L 29 25.622 -4.352 29.825 1.00 29.68 C +ATOM 2421 CD LYS L 29 25.690 -2.864 29.708 1.00 26.54 C +ATOM 2422 CE LYS L 29 24.512 -2.315 30.429 1.00 30.70 C +ATOM 2423 NZ LYS L 29 24.560 -0.865 30.423 1.00 30.94 N +ATOM 2424 N ALA L 30 29.578 -4.563 26.825 1.00 37.03 N +ATOM 2425 CA ALA L 30 30.709 -5.042 26.040 1.00 36.81 C +ATOM 2426 C ALA L 30 31.902 -5.797 26.694 1.00 38.63 C +ATOM 2427 O ALA L 30 32.010 -7.033 26.509 1.00 38.55 O +ATOM 2428 CB ALA L 30 31.168 -3.782 25.271 1.00 36.96 C +ATOM 2429 OXT ALA L 30 32.734 -5.146 27.362 1.00 36.76 O +TER 2430 ALA L 30 +HETATM 2431 C1 IPH A 22 -3.837 -0.773 8.470 1.00 19.22 C +HETATM 2432 C2 IPH A 22 -2.766 -1.483 8.965 1.00 15.96 C +HETATM 2433 C3 IPH A 22 -1.669 -0.803 9.423 1.00 14.89 C +HETATM 2434 C4 IPH A 22 -1.656 0.570 9.380 1.00 18.36 C +HETATM 2435 C5 IPH A 22 -2.718 1.299 8.890 1.00 17.73 C +HETATM 2436 C6 IPH A 22 -3.828 0.617 8.429 1.00 18.03 C +HETATM 2437 O1 IPH A 22 -4.923 -1.481 7.970 1.00 23.33 O +HETATM 2438 ZN ZN B 31 4.898 -6.843 10.075 1.00 27.20 ZN +HETATM 2439 C1 IPH C 22 11.613 4.852 26.399 1.00 20.83 C +HETATM 2440 C2 IPH C 22 11.633 5.140 25.053 1.00 20.62 C +HETATM 2441 C3 IPH C 22 11.288 4.188 24.109 1.00 18.01 C +HETATM 2442 C4 IPH C 22 10.922 2.929 24.507 1.00 20.54 C +HETATM 2443 C5 IPH C 22 10.898 2.627 25.851 1.00 25.33 C +HETATM 2444 C6 IPH C 22 11.240 3.590 26.797 1.00 24.15 C +HETATM 2445 O1 IPH C 22 12.016 5.803 27.323 1.00 12.68 O +HETATM 2446 ZN ZN D 31 13.221 6.551 16.276 1.00 29.19 ZN +HETATM 2447 C1 IPH F 31 11.998 -8.459 2.249 1.00 27.39 C +HETATM 2448 C2 IPH F 31 12.993 -7.709 2.852 1.00 27.93 C +HETATM 2449 C3 IPH F 31 12.672 -6.860 3.893 1.00 23.62 C +HETATM 2450 C4 IPH F 31 11.354 -6.776 4.286 1.00 27.82 C +HETATM 2451 C5 IPH F 31 10.347 -7.509 3.682 1.00 24.85 C +HETATM 2452 C6 IPH F 31 10.671 -8.360 2.659 1.00 28.86 C +HETATM 2453 O1 IPH F 31 12.386 -9.363 1.273 1.00 27.14 O +HETATM 2454 C1 IPH G 22 8.969 14.261 10.214 1.00 34.55 C +HETATM 2455 C2 IPH G 22 7.588 14.167 9.983 1.00 36.10 C +HETATM 2456 C3 IPH G 22 6.968 12.934 10.033 1.00 39.79 C +HETATM 2457 C4 IPH G 22 7.759 11.823 10.318 1.00 40.87 C +HETATM 2458 C5 IPH G 22 9.132 11.926 10.550 1.00 36.41 C +HETATM 2459 C6 IPH G 22 9.747 13.156 10.489 1.00 33.00 C +HETATM 2460 O1 IPH G 22 9.600 15.498 10.183 1.00 28.11 O +HETATM 2461 C1 IPH H 31 22.940 2.741 11.366 1.00 40.16 C +HETATM 2462 C2 IPH H 31 21.936 2.774 12.346 1.00 39.33 C +HETATM 2463 C3 IPH H 31 20.885 1.876 12.287 1.00 35.55 C +HETATM 2464 C4 IPH H 31 20.858 0.925 11.303 1.00 34.51 C +HETATM 2465 C5 IPH H 31 21.859 0.874 10.355 1.00 36.34 C +HETATM 2466 C6 IPH H 31 22.919 1.764 10.386 1.00 36.01 C +HETATM 2467 O1 IPH H 31 23.944 3.709 11.315 1.00 38.53 O +HETATM 2468 C1 IPH J 31 6.433 -11.368 20.191 1.00 27.73 C +HETATM 2469 C2 IPH J 31 5.607 -10.338 19.860 1.00 36.11 C +HETATM 2470 C3 IPH J 31 6.080 -9.152 19.345 1.00 34.44 C +HETATM 2471 C4 IPH J 31 7.424 -9.043 19.186 1.00 35.30 C +HETATM 2472 C5 IPH J 31 8.252 -10.087 19.531 1.00 34.12 C +HETATM 2473 C6 IPH J 31 7.761 -11.259 20.036 1.00 31.91 C +HETATM 2474 O1 IPH J 31 5.897 -12.541 20.639 1.00 35.16 O +HETATM 2475 O HOH A 23 -14.893 -10.956 18.905 1.00 36.74 O +HETATM 2476 O HOH A 24 -4.148 3.622 2.174 1.00 23.74 O +HETATM 2477 O HOH A 25 -12.724 9.454 2.567 1.00 30.44 O +HETATM 2478 O HOH A 26 -11.595 15.132 10.513 1.00 63.34 O +HETATM 2479 O HOH A 27 -12.015 -10.264 18.496 1.00 34.71 O +HETATM 2480 O HOH A 28 -14.652 -8.046 17.157 1.00 25.31 O +HETATM 2481 O HOH A 29 -9.936 8.264 1.892 1.00 27.17 O +HETATM 2482 O HOH A 30 -10.427 0.123 -1.343 1.00 49.84 O +HETATM 2483 O HOH A 31 -11.634 -2.314 -2.402 1.00 34.61 O +HETATM 2484 O HOH A 32 -13.826 7.271 0.119 1.00 27.32 O +HETATM 2485 O HOH A 33 -11.606 -5.056 -2.131 1.00 30.26 O +HETATM 2486 O HOH A 34 -13.463 -0.813 9.482 1.00 43.83 O +HETATM 2487 O HOH B 32 -1.808 -10.933 6.735 1.00 29.01 O +HETATM 2488 O HOH B 33 -3.950 -13.847 7.551 1.00 23.61 O +HETATM 2489 O HOH B 34 -7.828 -15.160 13.757 1.00 43.09 O +HETATM 2490 O HOH B 35 -11.683 -13.129 10.668 1.00 38.95 O +HETATM 2491 O HOH B 36 -12.196 -16.575 12.842 1.00 32.94 O +HETATM 2492 O HOH B 37 -9.410 1.811 25.199 1.00 16.50 O +HETATM 2493 O HOH B 38 2.817 -10.294 7.362 1.00 50.08 O +HETATM 2494 O HOH B 39 -1.721 -16.955 8.753 1.00 46.51 O +HETATM 2495 O HOH C 23 12.822 7.965 36.109 1.00 49.88 O +HETATM 2496 O HOH C 24 14.625 10.493 35.328 1.00 30.77 O +HETATM 2497 O HOH C 25 -2.542 5.395 36.120 1.00 46.63 O +HETATM 2498 O HOH C 26 -6.554 -4.074 33.811 1.00 33.19 O +HETATM 2499 O HOH C 27 -9.227 1.758 32.004 1.00 42.60 O +HETATM 2500 O HOH C 28 1.969 7.351 35.451 1.00 36.96 O +HETATM 2501 O HOH C 29 16.509 7.570 35.490 1.00 29.65 O +HETATM 2502 O HOH C 30 13.554 19.293 30.743 1.00 44.50 O +HETATM 2503 O HOH C 31 0.912 -1.529 37.334 1.00 38.05 O +HETATM 2504 O HOH D 32 -9.284 -1.236 28.464 1.00 28.52 O +HETATM 2505 O HOH D 33 0.505 11.948 32.969 1.00 30.31 O +HETATM 2506 O HOH D 34 1.029 11.785 36.552 1.00 51.08 O +HETATM 2507 O HOH D 35 -1.829 -4.675 37.214 1.00 23.57 O +HETATM 2508 O HOH D 36 10.982 20.323 20.993 1.00 39.65 O +HETATM 2509 O HOH D 37 -1.815 17.759 23.560 1.00 35.01 O +HETATM 2510 O HOH D 38 0.113 14.567 36.269 1.00 42.36 O +HETATM 2511 O HOH D 39 -0.310 17.549 13.308 1.00 35.81 O +HETATM 2512 O HOH D 40 3.497 16.433 15.700 1.00 21.37 O +HETATM 2513 O HOH D 41 2.675 12.054 14.796 1.00 44.03 O +HETATM 2514 O HOH E 31 24.190 -11.804 -8.789 1.00 40.53 O +HETATM 2515 O HOH E 32 23.210 -6.631 -12.633 1.00 47.56 O +HETATM 2516 O HOH E 33 24.623 -5.137 -0.205 1.00 39.64 O +HETATM 2517 O HOH E 34 23.088 -3.069 -1.207 1.00 28.56 O +HETATM 2518 O HOH E 35 23.207 7.528 -7.722 1.00 34.61 O +HETATM 2519 O HOH E 81 19.936 -1.795 -10.911 1.00 29.83 O +HETATM 2520 O HOH E 85 32.035 -1.484 -6.925 1.00 28.29 O +HETATM 2521 O HOH E 99 28.239 0.121 -7.378 1.00 57.56 O +HETATM 2522 O HOH E 100 27.925 -3.739 -6.580 1.00 33.88 O +HETATM 2523 O HOH F 36 22.832 1.303 -11.163 1.00 40.89 O +HETATM 2524 O HOH F 37 0.262 -13.398 2.163 1.00 19.68 O +HETATM 2525 O HOH F 40 21.688 9.597 1.972 1.00 48.84 O +HETATM 2526 O HOH F 41 29.580 9.270 -0.353 1.00 50.84 O +HETATM 2527 O HOH F 42 26.034 6.349 1.694 1.00 30.64 O +HETATM 2528 O HOH F 43 29.757 3.441 -3.847 1.00 46.07 O +HETATM 2529 O HOH F 73 -7.350 -0.534 -4.082 1.00 65.41 O +HETATM 2530 O HOH F 83 25.515 13.018 4.110 1.00 32.99 O +HETATM 2531 O HOH F 96 8.479 -2.271 9.337 1.00 34.43 O +HETATM 2532 O HOH F 98 23.775 9.615 4.509 1.00 46.70 O +HETATM 2533 O HOH F 101 28.368 3.331 -8.709 1.00 46.49 O +HETATM 2534 O HOH F 105 -10.686 -2.139 -5.234 1.00 34.08 O +HETATM 2535 O HOH F 116 0.408 1.790 1.701 1.00 30.41 O +HETATM 2536 O HOH F 117 -2.718 -6.456 -12.939 1.00 49.92 O +HETATM 2537 O HOH F 118 4.200 -7.922 9.165 1.00 17.41 O +HETATM 2538 O HOH G 44 21.065 22.248 1.395 1.00 26.77 O +HETATM 2539 O HOH G 45 13.695 22.494 -0.626 1.00 42.46 O +HETATM 2540 O HOH G 46 19.332 20.215 9.027 1.00 58.29 O +HETATM 2541 O HOH G 47 4.035 20.909 13.306 1.00 35.84 O +HETATM 2542 O HOH G 48 8.519 18.627 -4.760 1.00 21.82 O +HETATM 2543 O HOH G 86 8.810 16.753 -7.119 1.00 51.00 O +HETATM 2544 O HOH H 38 10.883 2.573 13.689 1.00 42.55 O +HETATM 2545 O HOH H 49 -0.779 7.244 -9.265 1.00 43.19 O +HETATM 2546 O HOH H 50 25.429 11.476 17.878 1.00 28.40 O +HETATM 2547 O HOH H 51 22.531 17.974 13.185 1.00 32.59 O +HETATM 2548 O HOH H 52 18.136 2.641 10.463 1.00 25.75 O +HETATM 2549 O HOH H 53 25.241 16.649 -0.205 1.00 39.22 O +HETATM 2550 O HOH H 54 22.876 16.937 -3.635 1.00 17.48 O +HETATM 2551 O HOH H 68 -7.631 7.236 -0.316 1.00 41.54 O +HETATM 2552 O HOH H 70 -5.811 5.724 -4.409 1.00 34.51 O +HETATM 2553 O HOH H 71 -8.797 9.619 -4.068 1.00 50.32 O +HETATM 2554 O HOH H 82 21.350 12.691 4.320 1.00 32.77 O +HETATM 2555 O HOH H 87 -7.416 4.618 -9.934 1.00 32.93 O +HETATM 2556 O HOH H 88 -5.410 3.071 -11.293 1.00 34.80 O +HETATM 2557 O HOH I 22 8.593 -8.943 31.411 1.00 17.07 O +HETATM 2558 O HOH I 55 16.181 -24.188 22.047 1.00 32.87 O +HETATM 2559 O HOH I 56 14.067 -15.826 35.218 1.00 42.93 O +HETATM 2560 O HOH I 57 7.719 -11.328 35.545 1.00 38.01 O +HETATM 2561 O HOH I 58 11.878 -20.396 31.827 1.00 22.31 O +HETATM 2562 O HOH I 59 23.931 -17.029 29.426 1.00 34.87 O +HETATM 2563 O HOH I 90 12.519 -27.084 9.924 1.00 32.94 O +HETATM 2564 O HOH I 109 13.999 -28.500 12.472 1.00 42.43 O +HETATM 2565 O HOH J 32 17.988 1.340 31.190 1.00 36.28 O +HETATM 2566 O HOH J 33 4.837 -19.785 2.566 1.00 31.90 O +HETATM 2567 O HOH J 34 11.294 -0.790 12.034 1.00 39.34 O +HETATM 2568 O HOH J 35 6.699 -2.376 14.054 1.00 32.39 O +HETATM 2569 O HOH J 36 13.250 -19.998 7.543 1.00 49.89 O +HETATM 2570 O HOH J 37 16.956 -0.824 32.649 1.00 38.94 O +HETATM 2571 O HOH J 38 8.365 -2.787 11.867 1.00 48.98 O +HETATM 2572 O HOH J 39 16.024 -2.112 25.618 1.00 27.98 O +HETATM 2573 O HOH J 40 22.985 -26.214 16.637 1.00 36.92 O +HETATM 2574 O HOH J 41 12.161 -25.296 7.720 1.00 26.68 O +HETATM 2575 O HOH K 61 31.911 3.257 4.716 1.00 28.60 O +HETATM 2576 O HOH K 62 34.180 -7.205 3.374 1.00 43.76 O +HETATM 2577 O HOH K 63 33.399 -14.127 6.823 1.00 36.87 O +HETATM 2578 O HOH K 64 31.649 -12.458 10.597 1.00 17.86 O +HETATM 2579 O HOH K 84 31.516 2.809 1.089 1.00 33.36 O +HETATM 2580 O HOH K 104 35.298 -11.266 8.330 1.00 54.27 O +HETATM 2581 O HOH L 65 15.743 -18.500 1.515 1.00 28.94 O +HETATM 2582 O HOH L 66 24.497 -20.246 8.776 1.00 33.49 O +HETATM 2583 O HOH L 67 23.787 2.623 30.352 1.00 38.50 O +HETATM 2584 O HOH L 91 26.392 3.620 33.957 1.00 40.35 O +HETATM 2585 O HOH L 92 16.462 9.674 17.126 1.00 36.22 O +HETATM 2586 O HOH L 119 14.343 7.557 16.200 1.00 36.07 O +CONECT 43 76 +CONECT 49 223 +CONECT 76 43 +CONECT 154 313 +CONECT 223 49 +CONECT 243 2438 +CONECT 313 154 +CONECT 448 481 +CONECT 454 628 +CONECT 481 448 +CONECT 559 718 +CONECT 628 454 +CONECT 648 2446 +CONECT 718 559 +CONECT 853 886 +CONECT 859 1033 +CONECT 886 853 +CONECT 964 1123 +CONECT 1033 859 +CONECT 1053 2438 +CONECT 1123 964 +CONECT 1258 1291 +CONECT 1264 1438 +CONECT 1291 1258 +CONECT 1369 1528 +CONECT 1438 1264 +CONECT 1528 1369 +CONECT 1663 1696 +CONECT 1669 1843 +CONECT 1696 1663 +CONECT 1774 1933 +CONECT 1843 1669 +CONECT 1863 2438 +CONECT 1933 1774 +CONECT 2068 2101 +CONECT 2074 2248 +CONECT 2101 2068 +CONECT 2179 2338 +CONECT 2248 2074 +CONECT 2338 2179 +CONECT 2431 2432 2436 2437 +CONECT 2432 2431 2433 +CONECT 2433 2432 2434 +CONECT 2434 2433 2435 +CONECT 2435 2434 2436 +CONECT 2436 2431 2435 +CONECT 2437 2431 +CONECT 2438 243 1053 1863 2537 +CONECT 2439 2440 2444 2445 +CONECT 2440 2439 2441 +CONECT 2441 2440 2442 +CONECT 2442 2441 2443 +CONECT 2443 2442 2444 +CONECT 2444 2439 2443 +CONECT 2445 2439 +CONECT 2446 648 2586 +CONECT 2447 2448 2452 2453 +CONECT 2448 2447 2449 +CONECT 2449 2448 2450 +CONECT 2450 2449 2451 +CONECT 2451 2450 2452 +CONECT 2452 2447 2451 +CONECT 2453 2447 +CONECT 2454 2455 2459 2460 +CONECT 2455 2454 2456 +CONECT 2456 2455 2457 +CONECT 2457 2456 2458 +CONECT 2458 2457 2459 +CONECT 2459 2454 2458 +CONECT 2460 2454 +CONECT 2461 2462 2466 2467 +CONECT 2462 2461 2463 +CONECT 2463 2462 2464 +CONECT 2464 2463 2465 +CONECT 2465 2464 2466 +CONECT 2466 2461 2465 +CONECT 2467 2461 +CONECT 2468 2469 2473 2474 +CONECT 2469 2468 2470 +CONECT 2470 2469 2471 +CONECT 2471 2470 2472 +CONECT 2472 2471 2473 +CONECT 2473 2468 2472 +CONECT 2474 2468 +CONECT 2537 2438 +CONECT 2586 2446 +MASTER 558 0 8 17 6 0 12 30 2574 12 86 30 +END diff --git a/lib/io/data/202d.cif b/lib/io/data/202d.cif new file mode 100644 index 000000000..8465764ae --- /dev/null +++ b/lib/io/data/202d.cif @@ -0,0 +1,3855 @@ +data_202D +# +_entry.id 202D +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.387 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 202D pdb_0000202d 10.2210/pdb202d/pdb +WWPDB D_1000177553 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 1995-06-03 +2 'Structure model' 1 1 2008-03-24 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2022-03-09 +5 'Structure model' 1 4 2024-03-13 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Database references' +4 4 'Structure model' 'Derived calculations' +5 4 'Structure model' Other +6 5 'Structure model' 'Data collection' +7 5 'Structure model' 'Source and taxonomy' +8 5 'Structure model' 'Structure summary' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 4 'Structure model' database_2 +2 4 'Structure model' pdbx_database_status +3 4 'Structure model' pdbx_struct_assembly +4 4 'Structure model' pdbx_struct_oper_list +5 4 'Structure model' struct_site +6 5 'Structure model' chem_comp_atom +7 5 'Structure model' chem_comp_bond +8 5 'Structure model' entity +9 5 'Structure model' pdbx_entity_src_syn +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 4 'Structure model' '_database_2.pdbx_DOI' +2 4 'Structure model' '_database_2.pdbx_database_accession' +3 4 'Structure model' '_pdbx_database_status.process_site' +4 4 'Structure model' '_struct_site.pdbx_auth_asym_id' +5 4 'Structure model' '_struct_site.pdbx_auth_comp_id' +6 4 'Structure model' '_struct_site.pdbx_auth_seq_id' +7 5 'Structure model' '_entity.details' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 202D +_pdbx_database_status.recvd_initial_deposition_date 1995-03-29 +_pdbx_database_status.deposit_site ? +_pdbx_database_status.process_site BNL +_pdbx_database_status.SG_entry . +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.status_code_sf ? +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.status_code_nmr_data ? +_pdbx_database_status.methods_development_category ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Chen, H.' 1 +'Patel, D.J.' 2 +# +loop_ +_citation.id +_citation.title +_citation.journal_abbrev +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.year +_citation.journal_id_ASTM +_citation.country +_citation.journal_id_ISSN +_citation.journal_id_CSD +_citation.book_publisher +_citation.pdbx_database_id_PubMed +_citation.pdbx_database_id_DOI +primary 'Solution Structure of the Menogaril-DNA Complex' +J.Am.Chem.Soc. 117 5901 5913 1995 JACSAT US 0002-7863 0004 ? -1 ? +1 'Antitumor Drug Nogalamycin Binds DNA in Both Grooves Simultaneously: Molecular Structure of Nogalamycin-DNA Complex' +Biochemistry 28 9913 ? 1989 BICHAW US 0006-2960 0033 ? ? ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Chen, H.' 1 ? +primary 'Patel, D.J.' 2 ? +1 'Liaw, Y.-C.' 3 ? +1 'Gao, Y.-G.' 4 ? +1 'Robinson, H.' 5 ? +1 'Van Der Marel, G.A.' 6 ? +1 'Van Boom, J.H.' 7 ? +1 'Wang, A.H.' 8 ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer syn +;DNA (5'-D(*GP*AP*CP*AP*TP*GP*TP*C)-3') +; +2426.617 2 ? ? ? ? +2 non-polymer syn MENOGARIL 541.546 2 ? ? ? 'CHEMICALLY SYNTHESIZED' +# +_entity_keywords.entity_id 1 +_entity_keywords.text 'DEOXYRIBONUCLEIC ACID' +# +_entity_poly.entity_id 1 +_entity_poly.type polydeoxyribonucleotide +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code '(DG)(DA)(DC)(DA)(DT)(DG)(DT)(DC)' +_entity_poly.pdbx_seq_one_letter_code_can GACATGTC +_entity_poly.pdbx_strand_id A,B +_entity_poly.pdbx_target_identifier ? +# +_pdbx_entity_nonpoly.entity_id 2 +_pdbx_entity_nonpoly.name MENOGARIL +_pdbx_entity_nonpoly.comp_id MNG +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 DG n +1 2 DA n +1 3 DC n +1 4 DA n +1 5 DT n +1 6 DG n +1 7 DT n +1 8 DC n +# +_pdbx_entity_src_syn.entity_id 1 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num ? +_pdbx_entity_src_syn.pdbx_end_seq_num ? +_pdbx_entity_src_syn.organism_scientific ? +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id ? +_pdbx_entity_src_syn.details 'CHEMICALLY SYNTHESIZED' +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +DA 'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.222 +DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.197 +DG 'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221 +DT 'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE" ? 'C10 H15 N2 O8 P' 322.208 +MNG non-polymer . MENOGARIL ? 'C28 H31 N O10' 541.546 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 DG 1 1 1 DG G A . n +A 1 2 DA 2 2 2 DA A A . n +A 1 3 DC 3 3 3 DC C A . n +A 1 4 DA 4 4 4 DA A A . n +A 1 5 DT 5 5 5 DT T A . n +A 1 6 DG 6 6 6 DG G A . n +A 1 7 DT 7 7 7 DT T A . n +A 1 8 DC 8 8 8 DC C A . n +B 1 1 DG 1 1 1 DG G B . n +B 1 2 DA 2 2 2 DA A B . n +B 1 3 DC 3 3 3 DC C B . n +B 1 4 DA 4 4 4 DA A B . n +B 1 5 DT 5 5 5 DT T B . n +B 1 6 DG 6 6 6 DG G B . n +B 1 7 DT 7 7 7 DT T B . n +B 1 8 DC 8 8 8 DC C B . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +C 2 MNG 1 9 2 MNG MNG A . +D 2 MNG 1 9 1 MNG MNG B . +# +_cell.entry_id 202D +_cell.length_a 1.000 +_cell.length_b 1.000 +_cell.length_c 1.000 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 90.00 +_cell.Z_PDB 1 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 202D +_symmetry.space_group_name_H-M 'P 1' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 1 +# +_exptl.entry_id 202D +_exptl.method 'SOLUTION NMR' +_exptl.crystals_number ? +# +_database_PDB_matrix.entry_id 202D +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_struct.entry_id 202D +_struct.title 'SOLUTION STRUCTURE OF THE MENOGARIL-DNA COMPLEX' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 202D +_struct_keywords.pdbx_keywords DNA +_struct_keywords.text 'DNA, MENOGARIL' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 1 ? +C N N 2 ? +D N N 2 ? +# +_struct_ref.id 1 +_struct_ref.entity_id 1 +_struct_ref.db_name PDB +_struct_ref.db_code 202D +_struct_ref.pdbx_db_accession 202D +_struct_ref.pdbx_db_isoform ? +_struct_ref.pdbx_seq_one_letter_code ? +_struct_ref.pdbx_align_begin ? +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 202D A 1 ? 8 ? 202D 1 ? 8 ? 1 8 +2 1 202D B 1 ? 8 ? 202D 1 ? 8 ? 1 8 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +_struct_biol.id 1 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +_struct_conn.pdbx_role +hydrog1 hydrog ? ? A DG 1 N1 ? ? ? 1_555 B DC 8 N3 ? ? A DG 1 B DC 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog2 hydrog ? ? A DG 1 N2 ? ? ? 1_555 B DC 8 O2 ? ? A DG 1 B DC 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog3 hydrog ? ? A DG 1 O6 ? ? ? 1_555 B DC 8 N4 ? ? A DG 1 B DC 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog4 hydrog ? ? A DA 2 N1 ? ? ? 1_555 B DT 7 N3 ? ? A DA 2 B DT 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog5 hydrog ? ? A DA 2 N6 ? ? ? 1_555 B DT 7 O4 ? ? A DA 2 B DT 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog6 hydrog ? ? A DC 3 N3 ? ? ? 1_555 B DG 6 N1 ? ? A DC 3 B DG 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog7 hydrog ? ? A DC 3 N4 ? ? ? 1_555 B DG 6 O6 ? ? A DC 3 B DG 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog8 hydrog ? ? A DC 3 O2 ? ? ? 1_555 B DG 6 N2 ? ? A DC 3 B DG 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog9 hydrog ? ? A DA 4 N1 ? ? ? 1_555 B DT 5 N3 ? ? A DA 4 B DT 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog10 hydrog ? ? A DA 4 N6 ? ? ? 1_555 B DT 5 O4 ? ? A DA 4 B DT 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog11 hydrog ? ? A DT 5 N3 ? ? ? 1_555 B DA 4 N1 ? ? A DT 5 B DA 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog12 hydrog ? ? A DT 5 O4 ? ? ? 1_555 B DA 4 N6 ? ? A DT 5 B DA 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog13 hydrog ? ? A DG 6 N1 ? ? ? 1_555 B DC 3 N3 ? ? A DG 6 B DC 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog14 hydrog ? ? A DG 6 N2 ? ? ? 1_555 B DC 3 O2 ? ? A DG 6 B DC 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog15 hydrog ? ? A DG 6 O6 ? ? ? 1_555 B DC 3 N4 ? ? A DG 6 B DC 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog16 hydrog ? ? A DT 7 N3 ? ? ? 1_555 B DA 2 N1 ? ? A DT 7 B DA 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog17 hydrog ? ? A DT 7 O4 ? ? ? 1_555 B DA 2 N6 ? ? A DT 7 B DA 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog18 hydrog ? ? A DC 8 N3 ? ? ? 1_555 B DG 1 N1 ? ? A DC 8 B DG 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog19 hydrog ? ? A DC 8 N4 ? ? ? 1_555 B DG 1 O6 ? ? A DC 8 B DG 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog20 hydrog ? ? A DC 8 O2 ? ? ? 1_555 B DG 1 N2 ? ? A DC 8 B DG 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +# +_struct_conn_type.id hydrog +_struct_conn_type.criteria ? +_struct_conn_type.reference ? +# +loop_ +_struct_site.id +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +_struct_site.pdbx_num_residues +_struct_site.details +AC1 Software B MNG 9 ? 5 'BINDING SITE FOR RESIDUE MNG B 9' +AC2 Software A MNG 9 ? 5 'BINDING SITE FOR RESIDUE MNG A 9' +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 5 DC A 3 ? DC A 3 . ? 1_555 ? +2 AC1 5 DA A 4 ? DA A 4 . ? 1_555 ? +3 AC1 5 DT B 5 ? DT B 5 . ? 1_555 ? +4 AC1 5 DG B 6 ? DG B 6 . ? 1_555 ? +5 AC1 5 DT B 7 ? DT B 7 . ? 1_555 ? +6 AC2 5 DT A 5 ? DT A 5 . ? 1_555 ? +7 AC2 5 DG A 6 ? DG A 6 . ? 1_555 ? +8 AC2 5 DT A 7 ? DT A 7 . ? 1_555 ? +9 AC2 5 DC B 3 ? DC B 3 . ? 1_555 ? +10 AC2 5 DA B 4 ? DA B 4 . ? 1_555 ? +# +loop_ +_pdbx_validate_close_contact.id +_pdbx_validate_close_contact.PDB_model_num +_pdbx_validate_close_contact.auth_atom_id_1 +_pdbx_validate_close_contact.auth_asym_id_1 +_pdbx_validate_close_contact.auth_comp_id_1 +_pdbx_validate_close_contact.auth_seq_id_1 +_pdbx_validate_close_contact.PDB_ins_code_1 +_pdbx_validate_close_contact.label_alt_id_1 +_pdbx_validate_close_contact.auth_atom_id_2 +_pdbx_validate_close_contact.auth_asym_id_2 +_pdbx_validate_close_contact.auth_comp_id_2 +_pdbx_validate_close_contact.auth_seq_id_2 +_pdbx_validate_close_contact.PDB_ins_code_2 +_pdbx_validate_close_contact.label_alt_id_2 +_pdbx_validate_close_contact.dist +1 1 H21 A DG 6 ? ? O2 B DC 3 ? ? 1.57 +2 1 OP1 A DT 7 ? ? HO9 A MNG 9 ? ? 1.57 +3 1 O2 A DC 3 ? ? H21 B DG 6 ? ? 1.58 +4 2 OP1 A DT 7 ? ? HO9 A MNG 9 ? ? 1.56 +5 2 H21 A DG 6 ? ? O2 B DC 3 ? ? 1.56 +6 2 OP1 B DT 7 ? ? HO9 B MNG 9 ? ? 1.57 +7 2 O2 A DC 3 ? ? H21 B DG 6 ? ? 1.58 +8 3 OP1 B DT 7 ? ? HO9 B MNG 9 ? ? 1.58 +9 3 O2 A DC 3 ? ? H21 B DG 6 ? ? 1.59 +10 3 H21 A DG 6 ? ? O2 B DC 3 ? ? 1.59 +# +loop_ +_pdbx_validate_rmsd_bond.id +_pdbx_validate_rmsd_bond.PDB_model_num +_pdbx_validate_rmsd_bond.auth_atom_id_1 +_pdbx_validate_rmsd_bond.auth_asym_id_1 +_pdbx_validate_rmsd_bond.auth_comp_id_1 +_pdbx_validate_rmsd_bond.auth_seq_id_1 +_pdbx_validate_rmsd_bond.PDB_ins_code_1 +_pdbx_validate_rmsd_bond.label_alt_id_1 +_pdbx_validate_rmsd_bond.auth_atom_id_2 +_pdbx_validate_rmsd_bond.auth_asym_id_2 +_pdbx_validate_rmsd_bond.auth_comp_id_2 +_pdbx_validate_rmsd_bond.auth_seq_id_2 +_pdbx_validate_rmsd_bond.PDB_ins_code_2 +_pdbx_validate_rmsd_bond.label_alt_id_2 +_pdbx_validate_rmsd_bond.bond_value +_pdbx_validate_rmsd_bond.bond_target_value +_pdbx_validate_rmsd_bond.bond_deviation +_pdbx_validate_rmsd_bond.bond_standard_deviation +_pdbx_validate_rmsd_bond.linker_flag +1 2 C5 A DT 7 ? ? C7 A DT 7 ? ? 1.533 1.496 0.037 0.006 N +2 2 C5 B DT 7 ? ? C7 B DT 7 ? ? 1.533 1.496 0.037 0.006 N +3 3 C5 A DT 7 ? ? C7 A DT 7 ? ? 1.533 1.496 0.037 0.006 N +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 N7 A DG 1 ? ? C8 A DG 1 ? ? N9 A DG 1 ? ? 116.30 113.10 3.20 0.50 N +2 1 N7 A DA 2 ? ? C8 A DA 2 ? ? N9 A DA 2 ? ? 117.20 113.80 3.40 0.50 N +3 1 C8 A DA 2 ? ? N9 A DA 2 ? ? C4 A DA 2 ? ? 103.38 105.80 -2.42 0.40 N +4 1 "O4'" A DC 3 ? ? "C1'" A DC 3 ? ? N1 A DC 3 ? ? 101.44 108.00 -6.56 0.70 N +5 1 "O4'" A DA 4 ? ? "C4'" A DA 4 ? ? "C3'" A DA 4 ? ? 110.11 106.00 4.11 0.60 N +6 1 "O4'" A DA 4 ? ? "C1'" A DA 4 ? ? N9 A DA 4 ? ? 112.97 108.30 4.67 0.30 N +7 1 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? N1 A DT 5 ? ? 110.18 108.30 1.88 0.30 N +8 1 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 118.04 122.90 -4.86 0.60 N +9 1 "C5'" A DG 6 ? ? "C4'" A DG 6 ? ? "O4'" A DG 6 ? ? 117.77 109.80 7.97 1.10 N +10 1 "O4'" A DG 6 ? ? "C1'" A DG 6 ? ? "C2'" A DG 6 ? ? 100.72 105.90 -5.18 0.80 N +11 1 "O4'" A DG 6 ? ? "C1'" A DG 6 ? ? N9 A DG 6 ? ? 111.74 108.30 3.44 0.30 N +12 1 N7 A DG 6 ? ? C8 A DG 6 ? ? N9 A DG 6 ? ? 116.52 113.10 3.42 0.50 N +13 1 "O4'" A DT 7 ? ? "C1'" A DT 7 ? ? "C2'" A DT 7 ? ? 100.58 105.90 -5.32 0.80 N +14 1 "O4'" A DT 7 ? ? "C1'" A DT 7 ? ? N1 A DT 7 ? ? 114.35 108.30 6.05 0.30 N +15 1 "C5'" A DC 8 ? ? "C4'" A DC 8 ? ? "O4'" A DC 8 ? ? 116.71 109.80 6.91 1.10 N +16 1 "O4'" A DC 8 ? ? "C1'" A DC 8 ? ? N1 A DC 8 ? ? 110.68 108.30 2.38 0.30 N +17 1 N1 A DC 8 ? ? C2 A DC 8 ? ? O2 A DC 8 ? ? 122.72 118.90 3.82 0.60 N +18 1 N7 B DG 1 ? ? C8 B DG 1 ? ? N9 B DG 1 ? ? 116.38 113.10 3.28 0.50 N +19 1 N7 B DA 2 ? ? C8 B DA 2 ? ? N9 B DA 2 ? ? 117.23 113.80 3.43 0.50 N +20 1 C8 B DA 2 ? ? N9 B DA 2 ? ? C4 B DA 2 ? ? 103.34 105.80 -2.46 0.40 N +21 1 "O4'" B DC 3 ? ? "C1'" B DC 3 ? ? N1 B DC 3 ? ? 101.53 108.00 -6.47 0.70 N +22 1 "O4'" B DA 4 ? ? "C4'" B DA 4 ? ? "C3'" B DA 4 ? ? 110.04 106.00 4.04 0.60 N +23 1 "O4'" B DA 4 ? ? "C1'" B DA 4 ? ? N9 B DA 4 ? ? 113.14 108.30 4.84 0.30 N +24 1 C6 B DT 5 ? ? C5 B DT 5 ? ? C7 B DT 5 ? ? 117.92 122.90 -4.98 0.60 N +25 1 "C5'" B DG 6 ? ? "C4'" B DG 6 ? ? "O4'" B DG 6 ? ? 117.81 109.80 8.01 1.10 N +26 1 "O4'" B DG 6 ? ? "C1'" B DG 6 ? ? "C2'" B DG 6 ? ? 100.72 105.90 -5.18 0.80 N +27 1 "O4'" B DG 6 ? ? "C1'" B DG 6 ? ? N9 B DG 6 ? ? 111.68 108.30 3.38 0.30 N +28 1 N7 B DG 6 ? ? C8 B DG 6 ? ? N9 B DG 6 ? ? 116.59 113.10 3.49 0.50 N +29 1 "O4'" B DT 7 ? ? "C1'" B DT 7 ? ? "C2'" B DT 7 ? ? 100.74 105.90 -5.16 0.80 N +30 1 "O4'" B DT 7 ? ? "C1'" B DT 7 ? ? N1 B DT 7 ? ? 114.32 108.30 6.02 0.30 N +31 1 "C5'" B DC 8 ? ? "C4'" B DC 8 ? ? "O4'" B DC 8 ? ? 116.67 109.80 6.87 1.10 N +32 1 "O4'" B DC 8 ? ? "C1'" B DC 8 ? ? N1 B DC 8 ? ? 110.73 108.30 2.43 0.30 N +33 1 N1 B DC 8 ? ? C2 B DC 8 ? ? O2 B DC 8 ? ? 122.81 118.90 3.91 0.60 N +34 2 N7 A DG 1 ? ? C8 A DG 1 ? ? N9 A DG 1 ? ? 116.43 113.10 3.33 0.50 N +35 2 N7 A DA 2 ? ? C8 A DA 2 ? ? N9 A DA 2 ? ? 117.25 113.80 3.45 0.50 N +36 2 "O4'" A DC 3 ? ? "C4'" A DC 3 ? ? "C3'" A DC 3 ? ? 109.67 106.00 3.67 0.60 N +37 2 "O4'" A DC 3 ? ? "C1'" A DC 3 ? ? N1 A DC 3 ? ? 100.97 108.00 -7.03 0.70 N +38 2 "O4'" A DA 4 ? ? "C1'" A DA 4 ? ? N9 A DA 4 ? ? 113.56 108.30 5.26 0.30 N +39 2 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? N1 A DT 5 ? ? 111.55 108.30 3.25 0.30 N +40 2 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 118.61 122.90 -4.29 0.60 N +41 2 "C5'" A DG 6 ? ? "C4'" A DG 6 ? ? "O4'" A DG 6 ? ? 117.02 109.80 7.22 1.10 N +42 2 "O4'" A DG 6 ? ? "C1'" A DG 6 ? ? "C2'" A DG 6 ? ? 100.84 105.90 -5.06 0.80 N +43 2 "O4'" A DG 6 ? ? "C1'" A DG 6 ? ? N9 A DG 6 ? ? 112.98 108.30 4.68 0.30 N +44 2 N7 A DG 6 ? ? C8 A DG 6 ? ? N9 A DG 6 ? ? 116.37 113.10 3.27 0.50 N +45 2 "O4'" A DT 7 ? ? "C1'" A DT 7 ? ? "C2'" A DT 7 ? ? 100.15 105.90 -5.75 0.80 N +46 2 "O4'" A DT 7 ? ? "C1'" A DT 7 ? ? N1 A DT 7 ? ? 113.14 108.30 4.84 0.30 N +47 2 "O4'" A DC 8 ? ? "C1'" A DC 8 ? ? N1 A DC 8 ? ? 113.06 108.30 4.76 0.30 N +48 2 N7 B DG 1 ? ? C8 B DG 1 ? ? N9 B DG 1 ? ? 116.45 113.10 3.35 0.50 N +49 2 N7 B DA 2 ? ? C8 B DA 2 ? ? N9 B DA 2 ? ? 117.14 113.80 3.34 0.50 N +50 2 "O4'" B DC 3 ? ? "C1'" B DC 3 ? ? N1 B DC 3 ? ? 101.05 108.00 -6.95 0.70 N +51 2 "O4'" B DA 4 ? ? "C1'" B DA 4 ? ? N9 B DA 4 ? ? 113.49 108.30 5.19 0.30 N +52 2 "O4'" B DT 5 ? ? "C1'" B DT 5 ? ? N1 B DT 5 ? ? 111.66 108.30 3.36 0.30 N +53 2 C6 B DT 5 ? ? C5 B DT 5 ? ? C7 B DT 5 ? ? 118.57 122.90 -4.33 0.60 N +54 2 "C5'" B DG 6 ? ? "C4'" B DG 6 ? ? "O4'" B DG 6 ? ? 117.12 109.80 7.32 1.10 N +55 2 "O4'" B DG 6 ? ? "C1'" B DG 6 ? ? "C2'" B DG 6 ? ? 100.96 105.90 -4.94 0.80 N +56 2 "O4'" B DG 6 ? ? "C1'" B DG 6 ? ? N9 B DG 6 ? ? 112.95 108.30 4.65 0.30 N +57 2 N7 B DG 6 ? ? C8 B DG 6 ? ? N9 B DG 6 ? ? 116.30 113.10 3.20 0.50 N +58 2 "O4'" B DT 7 ? ? "C1'" B DT 7 ? ? "C2'" B DT 7 ? ? 100.05 105.90 -5.85 0.80 N +59 2 "O4'" B DT 7 ? ? "C1'" B DT 7 ? ? N1 B DT 7 ? ? 113.16 108.30 4.86 0.30 N +60 2 "O4'" B DC 8 ? ? "C1'" B DC 8 ? ? N1 B DC 8 ? ? 112.91 108.30 4.61 0.30 N +61 3 N7 A DG 1 ? ? C8 A DG 1 ? ? N9 A DG 1 ? ? 116.31 113.10 3.21 0.50 N +62 3 N7 A DA 2 ? ? C8 A DA 2 ? ? N9 A DA 2 ? ? 117.32 113.80 3.52 0.50 N +63 3 C8 A DA 2 ? ? N9 A DA 2 ? ? C4 A DA 2 ? ? 103.20 105.80 -2.60 0.40 N +64 3 "O4'" A DC 3 ? ? "C4'" A DC 3 ? ? "C3'" A DC 3 ? ? 109.84 106.00 3.84 0.60 N +65 3 "O4'" A DC 3 ? ? "C1'" A DC 3 ? ? N1 A DC 3 ? ? 101.95 108.00 -6.05 0.70 N +66 3 "O4'" A DA 4 ? ? "C4'" A DA 4 ? ? "C3'" A DA 4 ? ? 109.96 106.00 3.96 0.60 N +67 3 "O4'" A DA 4 ? ? "C1'" A DA 4 ? ? N9 A DA 4 ? ? 112.18 108.30 3.88 0.30 N +68 3 "O4'" A DT 5 ? ? "C1'" A DT 5 ? ? N1 A DT 5 ? ? 110.69 108.30 2.39 0.30 N +69 3 "C5'" A DG 6 ? ? "C4'" A DG 6 ? ? "O4'" A DG 6 ? ? 117.51 109.80 7.71 1.10 N +70 3 "O4'" A DG 6 ? ? "C1'" A DG 6 ? ? N9 A DG 6 ? ? 112.70 108.30 4.40 0.30 N +71 3 N7 A DG 6 ? ? C8 A DG 6 ? ? N9 A DG 6 ? ? 116.73 113.10 3.63 0.50 N +72 3 "O4'" A DT 7 ? ? "C1'" A DT 7 ? ? "C2'" A DT 7 ? ? 100.36 105.90 -5.54 0.80 N +73 3 "O4'" A DT 7 ? ? "C1'" A DT 7 ? ? N1 A DT 7 ? ? 114.62 108.30 6.32 0.30 N +74 3 "O4'" A DC 8 ? ? "C1'" A DC 8 ? ? N1 A DC 8 ? ? 112.20 108.30 3.90 0.30 N +75 3 N1 A DC 8 ? ? C2 A DC 8 ? ? O2 A DC 8 ? ? 122.66 118.90 3.76 0.60 N +76 3 N7 B DG 1 ? ? C8 B DG 1 ? ? N9 B DG 1 ? ? 116.39 113.10 3.29 0.50 N +77 3 N7 B DA 2 ? ? C8 B DA 2 ? ? N9 B DA 2 ? ? 117.40 113.80 3.60 0.50 N +78 3 C8 B DA 2 ? ? N9 B DA 2 ? ? C4 B DA 2 ? ? 103.25 105.80 -2.55 0.40 N +79 3 "O4'" B DC 3 ? ? "C4'" B DC 3 ? ? "C3'" B DC 3 ? ? 109.95 106.00 3.95 0.60 N +80 3 "O4'" B DC 3 ? ? "C1'" B DC 3 ? ? N1 B DC 3 ? ? 102.07 108.00 -5.93 0.70 N +81 3 "O4'" B DA 4 ? ? "C4'" B DA 4 ? ? "C3'" B DA 4 ? ? 109.81 106.00 3.81 0.60 N +82 3 "O4'" B DA 4 ? ? "C1'" B DA 4 ? ? N9 B DA 4 ? ? 112.07 108.30 3.77 0.30 N +83 3 "O4'" B DT 5 ? ? "C1'" B DT 5 ? ? N1 B DT 5 ? ? 110.63 108.30 2.33 0.30 N +84 3 "C5'" B DG 6 ? ? "C4'" B DG 6 ? ? "O4'" B DG 6 ? ? 117.49 109.80 7.69 1.10 N +85 3 "O4'" B DG 6 ? ? "C1'" B DG 6 ? ? N9 B DG 6 ? ? 112.87 108.30 4.57 0.30 N +86 3 N7 B DG 6 ? ? C8 B DG 6 ? ? N9 B DG 6 ? ? 116.68 113.10 3.58 0.50 N +87 3 "O4'" B DT 7 ? ? "C1'" B DT 7 ? ? "C2'" B DT 7 ? ? 100.55 105.90 -5.35 0.80 N +88 3 "O4'" B DT 7 ? ? "C1'" B DT 7 ? ? N1 B DT 7 ? ? 114.63 108.30 6.33 0.30 N +89 3 "O4'" B DC 8 ? ? "C1'" B DC 8 ? ? N1 B DC 8 ? ? 112.90 108.30 4.60 0.30 N +90 3 N1 B DC 8 ? ? C2 B DC 8 ? ? O2 B DC 8 ? ? 122.66 118.90 3.76 0.60 N +91 4 N7 A DG 1 ? ? C8 A DG 1 ? ? N9 A DG 1 ? ? 116.47 113.10 3.37 0.50 N +92 4 N7 A DA 2 ? ? C8 A DA 2 ? ? N9 A DA 2 ? ? 116.96 113.80 3.16 0.50 N +93 4 "O4'" A DC 3 ? ? "C1'" A DC 3 ? ? N1 A DC 3 ? ? 102.55 108.00 -5.45 0.70 N +94 4 "O4'" A DA 4 ? ? "C1'" A DA 4 ? ? N9 A DA 4 ? ? 113.22 108.30 4.92 0.30 N +95 4 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 118.66 122.90 -4.24 0.60 N +96 4 N7 A DG 6 ? ? C8 A DG 6 ? ? N9 A DG 6 ? ? 116.39 113.10 3.29 0.50 N +97 4 C8 A DG 6 ? ? N9 A DG 6 ? ? C4 A DG 6 ? ? 103.91 106.40 -2.49 0.40 N +98 4 "O4'" A DT 7 ? ? "C1'" A DT 7 ? ? N1 A DT 7 ? ? 112.26 108.30 3.96 0.30 N +99 4 "C5'" A DC 8 ? ? "C4'" A DC 8 ? ? "O4'" A DC 8 ? ? 116.61 109.80 6.81 1.10 N +100 4 "O4'" A DC 8 ? ? "C1'" A DC 8 ? ? N1 A DC 8 ? ? 112.61 108.30 4.31 0.30 N +101 4 N1 A DC 8 ? ? C2 A DC 8 ? ? O2 A DC 8 ? ? 122.71 118.90 3.81 0.60 N +102 4 N7 B DG 1 ? ? C8 B DG 1 ? ? N9 B DG 1 ? ? 116.46 113.10 3.36 0.50 N +103 4 N7 B DA 2 ? ? C8 B DA 2 ? ? N9 B DA 2 ? ? 117.12 113.80 3.32 0.50 N +104 4 "O4'" B DC 3 ? ? "C1'" B DC 3 ? ? N1 B DC 3 ? ? 102.57 108.00 -5.43 0.70 N +105 4 "O4'" B DA 4 ? ? "C1'" B DA 4 ? ? N9 B DA 4 ? ? 113.25 108.30 4.95 0.30 N +106 4 C6 B DT 5 ? ? C5 B DT 5 ? ? C7 B DT 5 ? ? 118.94 122.90 -3.96 0.60 N +107 4 N7 B DG 6 ? ? C8 B DG 6 ? ? N9 B DG 6 ? ? 116.35 113.10 3.25 0.50 N +108 4 C8 B DG 6 ? ? N9 B DG 6 ? ? C4 B DG 6 ? ? 103.96 106.40 -2.44 0.40 N +109 4 "O4'" B DT 7 ? ? "C1'" B DT 7 ? ? N1 B DT 7 ? ? 112.32 108.30 4.02 0.30 N +110 4 "C5'" B DC 8 ? ? "C4'" B DC 8 ? ? "O4'" B DC 8 ? ? 116.58 109.80 6.78 1.10 N +111 4 "O4'" B DC 8 ? ? "C1'" B DC 8 ? ? N1 B DC 8 ? ? 112.66 108.30 4.36 0.30 N +112 4 N1 B DC 8 ? ? C2 B DC 8 ? ? O2 B DC 8 ? ? 122.67 118.90 3.77 0.60 N +# +_pdbx_nmr_ensemble.entry_id 202D +_pdbx_nmr_ensemble.conformers_calculated_total_number 4 +_pdbx_nmr_ensemble.conformers_submitted_total_number 4 +_pdbx_nmr_ensemble.conformer_selection_criteria 'all calculated structures submitted' +_pdbx_nmr_ensemble.average_constraints_per_residue ? +_pdbx_nmr_ensemble.average_constraint_violations_per_residue ? +_pdbx_nmr_ensemble.maximum_distance_constraint_violation ? +_pdbx_nmr_ensemble.average_distance_constraint_violation ? +_pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation ? +_pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ? +_pdbx_nmr_ensemble.distance_constraint_violation_method ? +_pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation ? +_pdbx_nmr_ensemble.average_torsion_angle_constraint_violation ? +_pdbx_nmr_ensemble.torsion_angle_constraint_violation_method ? +# +_pdbx_nmr_details.entry_id 202D +_pdbx_nmr_details.text 'MENOGARIL WAS PROVIDED BY UPJOHN CO., KALAMAZOO, MICHIGAN.' +# +_pdbx_nmr_refine.entry_id 202D +_pdbx_nmr_refine.method 'MOLECULAR DYNAMICS, MATRIX RELAXATION' +_pdbx_nmr_refine.details +;TWO STARTING STRUCTURES WERE GENERATED BY MANUALLY DOCKING THE DRUG ONTO A- AND B-FORM DNA USING INSIGHT II AND WERE SUBSEQUENTLY REFINED BY DISTANCE-RESTRAINED MOLECULAR DYNAMICS USING A SET OF INTER-PROTON DISTANCE RESTRAINTS DERIVED FROM THE NMR DATA. TWO INITIAL VELOCITY SEEDS WERE USED FOR EACH STARTING STRUCTURE WHICH YIELDS FOUR DISTANCE-REFINED STRUCTURES. THEY WERE REFINED FURTHER USING RELAXATION-MATRIX BASED NOE INTENSITY-RESTRAINED MOLECULAR DYNAMICS. THE FINAL FOUR STRUCTURES WERE OBTAINED BY TAKING THE AVERAGE COORDINATES OF THE LAST 1.0 PS OF THE DYNAMICS DURING RELAXATION MATRIX REFINEMENT AND ENERGY MINIMIZED. THE R(1/6) VALUE WAS USED TO REFINE THE STRUCTURE DURING RELAXATION MATRIX REFINEMENT. THE SUMMATIONS RUN THROUGH ALL OBSERVED, QUANTIFIABLE NOE CROSSPEAKS IN NOESY SPECTRA RECORDED IN D2O AND MIXING TIMES OF 30, 60, 100, 150 AND 200 MS. THE R(1/6) FACTOR AND THE RMS DEVIATIONS FROM IDEAL GEOMETRY FOR THE FOUR FINAL STRUCTURES ARE: MODEL1 MODEL2 MODEL3 MODEL4 R(1/6) FACTOR 0.039 0.038 0.038 0.036 BOND (ANG) 0.012 0.012 0.012 0.011 ANGLES (DEG) 3.833 3.818 3.776 3.684 IMPROPERS (DEG) 0.251 0.250 0.286 0.219 +; +_pdbx_nmr_refine.software_ordinal 1 +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +DA OP3 O N N 1 +DA P P N N 2 +DA OP1 O N N 3 +DA OP2 O N N 4 +DA "O5'" O N N 5 +DA "C5'" C N N 6 +DA "C4'" C N R 7 +DA "O4'" O N N 8 +DA "C3'" C N S 9 +DA "O3'" O N N 10 +DA "C2'" C N N 11 +DA "C1'" C N R 12 +DA N9 N Y N 13 +DA C8 C Y N 14 +DA N7 N Y N 15 +DA C5 C Y N 16 +DA C6 C Y N 17 +DA N6 N N N 18 +DA N1 N Y N 19 +DA C2 C Y N 20 +DA N3 N Y N 21 +DA C4 C Y N 22 +DA HOP3 H N N 23 +DA HOP2 H N N 24 +DA "H5'" H N N 25 +DA "H5''" H N N 26 +DA "H4'" H N N 27 +DA "H3'" H N N 28 +DA "HO3'" H N N 29 +DA "H2'" H N N 30 +DA "H2''" H N N 31 +DA "H1'" H N N 32 +DA H8 H N N 33 +DA H61 H N N 34 +DA H62 H N N 35 +DA H2 H N N 36 +DC OP3 O N N 37 +DC P P N N 38 +DC OP1 O N N 39 +DC OP2 O N N 40 +DC "O5'" O N N 41 +DC "C5'" C N N 42 +DC "C4'" C N R 43 +DC "O4'" O N N 44 +DC "C3'" C N S 45 +DC "O3'" O N N 46 +DC "C2'" C N N 47 +DC "C1'" C N R 48 +DC N1 N N N 49 +DC C2 C N N 50 +DC O2 O N N 51 +DC N3 N N N 52 +DC C4 C N N 53 +DC N4 N N N 54 +DC C5 C N N 55 +DC C6 C N N 56 +DC HOP3 H N N 57 +DC HOP2 H N N 58 +DC "H5'" H N N 59 +DC "H5''" H N N 60 +DC "H4'" H N N 61 +DC "H3'" H N N 62 +DC "HO3'" H N N 63 +DC "H2'" H N N 64 +DC "H2''" H N N 65 +DC "H1'" H N N 66 +DC H41 H N N 67 +DC H42 H N N 68 +DC H5 H N N 69 +DC H6 H N N 70 +DG OP3 O N N 71 +DG P P N N 72 +DG OP1 O N N 73 +DG OP2 O N N 74 +DG "O5'" O N N 75 +DG "C5'" C N N 76 +DG "C4'" C N R 77 +DG "O4'" O N N 78 +DG "C3'" C N S 79 +DG "O3'" O N N 80 +DG "C2'" C N N 81 +DG "C1'" C N R 82 +DG N9 N Y N 83 +DG C8 C Y N 84 +DG N7 N Y N 85 +DG C5 C Y N 86 +DG C6 C N N 87 +DG O6 O N N 88 +DG N1 N N N 89 +DG C2 C N N 90 +DG N2 N N N 91 +DG N3 N N N 92 +DG C4 C Y N 93 +DG HOP3 H N N 94 +DG HOP2 H N N 95 +DG "H5'" H N N 96 +DG "H5''" H N N 97 +DG "H4'" H N N 98 +DG "H3'" H N N 99 +DG "HO3'" H N N 100 +DG "H2'" H N N 101 +DG "H2''" H N N 102 +DG "H1'" H N N 103 +DG H8 H N N 104 +DG H1 H N N 105 +DG H21 H N N 106 +DG H22 H N N 107 +DT OP3 O N N 108 +DT P P N N 109 +DT OP1 O N N 110 +DT OP2 O N N 111 +DT "O5'" O N N 112 +DT "C5'" C N N 113 +DT "C4'" C N R 114 +DT "O4'" O N N 115 +DT "C3'" C N S 116 +DT "O3'" O N N 117 +DT "C2'" C N N 118 +DT "C1'" C N R 119 +DT N1 N N N 120 +DT C2 C N N 121 +DT O2 O N N 122 +DT N3 N N N 123 +DT C4 C N N 124 +DT O4 O N N 125 +DT C5 C N N 126 +DT C7 C N N 127 +DT C6 C N N 128 +DT HOP3 H N N 129 +DT HOP2 H N N 130 +DT "H5'" H N N 131 +DT "H5''" H N N 132 +DT "H4'" H N N 133 +DT "H3'" H N N 134 +DT "HO3'" H N N 135 +DT "H2'" H N N 136 +DT "H2''" H N N 137 +DT "H1'" H N N 138 +DT H3 H N N 139 +DT H71 H N N 140 +DT H72 H N N 141 +DT H73 H N N 142 +DT H6 H N N 143 +MNG C1 C Y N 144 +MNG C2 C Y N 145 +MNG C3 C Y N 146 +MNG C4 C Y N 147 +MNG C5 C N N 148 +MNG C6 C Y N 149 +MNG C7 C N R 150 +MNG C8 C N N 151 +MNG C9 C N R 152 +MNG C10 C N N 153 +MNG C11 C Y N 154 +MNG C12 C N N 155 +MNG C16 C Y N 156 +MNG C17 C Y N 157 +MNG C18 C Y N 158 +MNG C19 C Y N 159 +MNG C20 C Y N 160 +MNG C21 C Y N 161 +MNG "C1'" C N S 162 +MNG "C2'" C N S 163 +MNG "C3'" C N R 164 +MNG "C4'" C N R 165 +MNG "C5'" C N R 166 +MNG C5M C N N 167 +MNG C1M C N N 168 +MNG C2M C N N 169 +MNG C7M C N N 170 +MNG C9M C N N 171 +MNG O1 O N N 172 +MNG O4 O N N 173 +MNG O5 O N N 174 +MNG O6 O N N 175 +MNG O7 O N N 176 +MNG O9 O N N 177 +MNG O12 O N N 178 +MNG "O1'" O N N 179 +MNG "O2'" O N N 180 +MNG "O4'" O N N 181 +MNG N1 N N N 182 +MNG H3 H N N 183 +MNG H7 H N N 184 +MNG H81 H N N 185 +MNG H82 H N N 186 +MNG H101 H N N 187 +MNG H102 H N N 188 +MNG H11 H N N 189 +MNG "H1'" H N N 190 +MNG "H2'" H N N 191 +MNG "H3'" H N N 192 +MNG "H4'" H N N 193 +MNG H5M1 H N N 194 +MNG H5M2 H N N 195 +MNG H5M3 H N N 196 +MNG H1M1 H N N 197 +MNG H1M2 H N N 198 +MNG H1M3 H N N 199 +MNG H2M1 H N N 200 +MNG H2M2 H N N 201 +MNG H2M3 H N N 202 +MNG H7M1 H N N 203 +MNG H7M2 H N N 204 +MNG H7M3 H N N 205 +MNG H9M1 H N N 206 +MNG H9M2 H N N 207 +MNG H9M3 H N N 208 +MNG HO4 H N N 209 +MNG HO6 H N N 210 +MNG HO9 H N N 211 +MNG "HO2'" H N N 212 +MNG "HO4'" H N N 213 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +DA OP3 P sing N N 1 +DA OP3 HOP3 sing N N 2 +DA P OP1 doub N N 3 +DA P OP2 sing N N 4 +DA P "O5'" sing N N 5 +DA OP2 HOP2 sing N N 6 +DA "O5'" "C5'" sing N N 7 +DA "C5'" "C4'" sing N N 8 +DA "C5'" "H5'" sing N N 9 +DA "C5'" "H5''" sing N N 10 +DA "C4'" "O4'" sing N N 11 +DA "C4'" "C3'" sing N N 12 +DA "C4'" "H4'" sing N N 13 +DA "O4'" "C1'" sing N N 14 +DA "C3'" "O3'" sing N N 15 +DA "C3'" "C2'" sing N N 16 +DA "C3'" "H3'" sing N N 17 +DA "O3'" "HO3'" sing N N 18 +DA "C2'" "C1'" sing N N 19 +DA "C2'" "H2'" sing N N 20 +DA "C2'" "H2''" sing N N 21 +DA "C1'" N9 sing N N 22 +DA "C1'" "H1'" sing N N 23 +DA N9 C8 sing Y N 24 +DA N9 C4 sing Y N 25 +DA C8 N7 doub Y N 26 +DA C8 H8 sing N N 27 +DA N7 C5 sing Y N 28 +DA C5 C6 sing Y N 29 +DA C5 C4 doub Y N 30 +DA C6 N6 sing N N 31 +DA C6 N1 doub Y N 32 +DA N6 H61 sing N N 33 +DA N6 H62 sing N N 34 +DA N1 C2 sing Y N 35 +DA C2 N3 doub Y N 36 +DA C2 H2 sing N N 37 +DA N3 C4 sing Y N 38 +DC OP3 P sing N N 39 +DC OP3 HOP3 sing N N 40 +DC P OP1 doub N N 41 +DC P OP2 sing N N 42 +DC P "O5'" sing N N 43 +DC OP2 HOP2 sing N N 44 +DC "O5'" "C5'" sing N N 45 +DC "C5'" "C4'" sing N N 46 +DC "C5'" "H5'" sing N N 47 +DC "C5'" "H5''" sing N N 48 +DC "C4'" "O4'" sing N N 49 +DC "C4'" "C3'" sing N N 50 +DC "C4'" "H4'" sing N N 51 +DC "O4'" "C1'" sing N N 52 +DC "C3'" "O3'" sing N N 53 +DC "C3'" "C2'" sing N N 54 +DC "C3'" "H3'" sing N N 55 +DC "O3'" "HO3'" sing N N 56 +DC "C2'" "C1'" sing N N 57 +DC "C2'" "H2'" sing N N 58 +DC "C2'" "H2''" sing N N 59 +DC "C1'" N1 sing N N 60 +DC "C1'" "H1'" sing N N 61 +DC N1 C2 sing N N 62 +DC N1 C6 sing N N 63 +DC C2 O2 doub N N 64 +DC C2 N3 sing N N 65 +DC N3 C4 doub N N 66 +DC C4 N4 sing N N 67 +DC C4 C5 sing N N 68 +DC N4 H41 sing N N 69 +DC N4 H42 sing N N 70 +DC C5 C6 doub N N 71 +DC C5 H5 sing N N 72 +DC C6 H6 sing N N 73 +DG OP3 P sing N N 74 +DG OP3 HOP3 sing N N 75 +DG P OP1 doub N N 76 +DG P OP2 sing N N 77 +DG P "O5'" sing N N 78 +DG OP2 HOP2 sing N N 79 +DG "O5'" "C5'" sing N N 80 +DG "C5'" "C4'" sing N N 81 +DG "C5'" "H5'" sing N N 82 +DG "C5'" "H5''" sing N N 83 +DG "C4'" "O4'" sing N N 84 +DG "C4'" "C3'" sing N N 85 +DG "C4'" "H4'" sing N N 86 +DG "O4'" "C1'" sing N N 87 +DG "C3'" "O3'" sing N N 88 +DG "C3'" "C2'" sing N N 89 +DG "C3'" "H3'" sing N N 90 +DG "O3'" "HO3'" sing N N 91 +DG "C2'" "C1'" sing N N 92 +DG "C2'" "H2'" sing N N 93 +DG "C2'" "H2''" sing N N 94 +DG "C1'" N9 sing N N 95 +DG "C1'" "H1'" sing N N 96 +DG N9 C8 sing Y N 97 +DG N9 C4 sing Y N 98 +DG C8 N7 doub Y N 99 +DG C8 H8 sing N N 100 +DG N7 C5 sing Y N 101 +DG C5 C6 sing N N 102 +DG C5 C4 doub Y N 103 +DG C6 O6 doub N N 104 +DG C6 N1 sing N N 105 +DG N1 C2 sing N N 106 +DG N1 H1 sing N N 107 +DG C2 N2 sing N N 108 +DG C2 N3 doub N N 109 +DG N2 H21 sing N N 110 +DG N2 H22 sing N N 111 +DG N3 C4 sing N N 112 +DT OP3 P sing N N 113 +DT OP3 HOP3 sing N N 114 +DT P OP1 doub N N 115 +DT P OP2 sing N N 116 +DT P "O5'" sing N N 117 +DT OP2 HOP2 sing N N 118 +DT "O5'" "C5'" sing N N 119 +DT "C5'" "C4'" sing N N 120 +DT "C5'" "H5'" sing N N 121 +DT "C5'" "H5''" sing N N 122 +DT "C4'" "O4'" sing N N 123 +DT "C4'" "C3'" sing N N 124 +DT "C4'" "H4'" sing N N 125 +DT "O4'" "C1'" sing N N 126 +DT "C3'" "O3'" sing N N 127 +DT "C3'" "C2'" sing N N 128 +DT "C3'" "H3'" sing N N 129 +DT "O3'" "HO3'" sing N N 130 +DT "C2'" "C1'" sing N N 131 +DT "C2'" "H2'" sing N N 132 +DT "C2'" "H2''" sing N N 133 +DT "C1'" N1 sing N N 134 +DT "C1'" "H1'" sing N N 135 +DT N1 C2 sing N N 136 +DT N1 C6 sing N N 137 +DT C2 O2 doub N N 138 +DT C2 N3 sing N N 139 +DT N3 C4 sing N N 140 +DT N3 H3 sing N N 141 +DT C4 O4 doub N N 142 +DT C4 C5 sing N N 143 +DT C5 C7 sing N N 144 +DT C5 C6 doub N N 145 +DT C7 H71 sing N N 146 +DT C7 H72 sing N N 147 +DT C7 H73 sing N N 148 +DT C6 H6 sing N N 149 +MNG C1 C2 doub Y N 150 +MNG C1 C16 sing Y N 151 +MNG C1 O1 sing N N 152 +MNG C2 C3 sing Y N 153 +MNG C2 "C5'" sing N N 154 +MNG C3 C4 doub Y N 155 +MNG C3 H3 sing N N 156 +MNG C4 C17 sing Y N 157 +MNG C4 O4 sing N N 158 +MNG C5 C17 sing N N 159 +MNG C5 C18 sing N N 160 +MNG C5 O5 doub N N 161 +MNG C6 C18 doub Y N 162 +MNG C6 C19 sing Y N 163 +MNG C6 O6 sing N N 164 +MNG C7 C8 sing N N 165 +MNG C7 C19 sing N N 166 +MNG C7 O7 sing N N 167 +MNG C7 H7 sing N N 168 +MNG C8 C9 sing N N 169 +MNG C8 H81 sing N N 170 +MNG C8 H82 sing N N 171 +MNG C9 C10 sing N N 172 +MNG C9 C9M sing N N 173 +MNG C9 O9 sing N N 174 +MNG C10 C20 sing N N 175 +MNG C10 H101 sing N N 176 +MNG C10 H102 sing N N 177 +MNG C11 C20 sing Y N 178 +MNG C11 C21 doub Y N 179 +MNG C11 H11 sing N N 180 +MNG C12 C16 sing N N 181 +MNG C12 C21 sing N N 182 +MNG C12 O12 doub N N 183 +MNG C16 C17 doub Y N 184 +MNG C18 C21 sing Y N 185 +MNG C19 C20 doub Y N 186 +MNG "C1'" "C2'" sing N N 187 +MNG "C1'" O1 sing N N 188 +MNG "C1'" "O1'" sing N N 189 +MNG "C1'" "H1'" sing N N 190 +MNG "C2'" "C3'" sing N N 191 +MNG "C2'" "O2'" sing N N 192 +MNG "C2'" "H2'" sing N N 193 +MNG "C3'" "C4'" sing N N 194 +MNG "C3'" N1 sing N N 195 +MNG "C3'" "H3'" sing N N 196 +MNG "C4'" "C5'" sing N N 197 +MNG "C4'" "O4'" sing N N 198 +MNG "C4'" "H4'" sing N N 199 +MNG "C5'" C5M sing N N 200 +MNG "C5'" "O1'" sing N N 201 +MNG C5M H5M1 sing N N 202 +MNG C5M H5M2 sing N N 203 +MNG C5M H5M3 sing N N 204 +MNG C1M N1 sing N N 205 +MNG C1M H1M1 sing N N 206 +MNG C1M H1M2 sing N N 207 +MNG C1M H1M3 sing N N 208 +MNG C2M N1 sing N N 209 +MNG C2M H2M1 sing N N 210 +MNG C2M H2M2 sing N N 211 +MNG C2M H2M3 sing N N 212 +MNG C7M O7 sing N N 213 +MNG C7M H7M1 sing N N 214 +MNG C7M H7M2 sing N N 215 +MNG C7M H7M3 sing N N 216 +MNG C9M H9M1 sing N N 217 +MNG C9M H9M2 sing N N 218 +MNG C9M H9M3 sing N N 219 +MNG O4 HO4 sing N N 220 +MNG O6 HO6 sing N N 221 +MNG O9 HO9 sing N N 222 +MNG "O2'" "HO2'" sing N N 223 +MNG "O4'" "HO4'" sing N N 224 +# +loop_ +_ndb_struct_conf_na.entry_id +_ndb_struct_conf_na.feature +202D 'double helix' +202D 'b-form double helix' +# +loop_ +_ndb_struct_na_base_pair.model_number +_ndb_struct_na_base_pair.i_label_asym_id +_ndb_struct_na_base_pair.i_label_comp_id +_ndb_struct_na_base_pair.i_label_seq_id +_ndb_struct_na_base_pair.i_symmetry +_ndb_struct_na_base_pair.j_label_asym_id +_ndb_struct_na_base_pair.j_label_comp_id +_ndb_struct_na_base_pair.j_label_seq_id +_ndb_struct_na_base_pair.j_symmetry +_ndb_struct_na_base_pair.shear +_ndb_struct_na_base_pair.stretch +_ndb_struct_na_base_pair.stagger +_ndb_struct_na_base_pair.buckle +_ndb_struct_na_base_pair.propeller +_ndb_struct_na_base_pair.opening +_ndb_struct_na_base_pair.pair_number +_ndb_struct_na_base_pair.pair_name +_ndb_struct_na_base_pair.i_auth_asym_id +_ndb_struct_na_base_pair.i_auth_seq_id +_ndb_struct_na_base_pair.i_PDB_ins_code +_ndb_struct_na_base_pair.j_auth_asym_id +_ndb_struct_na_base_pair.j_auth_seq_id +_ndb_struct_na_base_pair.j_PDB_ins_code +_ndb_struct_na_base_pair.hbond_type_28 +_ndb_struct_na_base_pair.hbond_type_12 +1 A DG 1 1_555 B DC 8 1_555 -0.591 -0.277 -0.480 -13.858 -4.520 -1.390 1 A_DG1:DC8_B A 1 ? B 8 ? 19 1 +1 A DA 2 1_555 B DT 7 1_555 0.052 -0.224 0.076 -1.375 -0.127 -4.846 2 A_DA2:DT7_B A 2 ? B 7 ? 20 1 +1 A DC 3 1_555 B DG 6 1_555 0.563 -0.194 -0.254 21.007 2.147 5.771 3 A_DC3:DG6_B A 3 ? B 6 ? 19 1 +1 A DA 4 1_555 B DT 5 1_555 0.413 -0.134 -0.326 -11.933 12.748 -1.967 4 A_DA4:DT5_B A 4 ? B 5 ? 20 1 +1 A DT 5 1_555 B DA 4 1_555 -0.483 -0.129 -0.295 12.041 11.920 -2.787 5 A_DT5:DA4_B A 5 ? B 4 ? 20 1 +1 A DG 6 1_555 B DC 3 1_555 -0.514 -0.191 -0.235 -20.959 0.918 5.381 6 A_DG6:DC3_B A 6 ? B 3 ? 19 1 +1 A DT 7 1_555 B DA 2 1_555 0.000 -0.241 0.038 0.632 -1.215 -4.687 7 A_DT7:DA2_B A 7 ? B 2 ? 20 1 +1 A DC 8 1_555 B DG 1 1_555 0.612 -0.258 -0.485 11.890 -3.519 -1.122 8 A_DC8:DG1_B A 8 ? B 1 ? 19 1 +# +loop_ +_ndb_struct_na_base_pair_step.model_number +_ndb_struct_na_base_pair_step.i_label_asym_id_1 +_ndb_struct_na_base_pair_step.i_label_comp_id_1 +_ndb_struct_na_base_pair_step.i_label_seq_id_1 +_ndb_struct_na_base_pair_step.i_symmetry_1 +_ndb_struct_na_base_pair_step.j_label_asym_id_1 +_ndb_struct_na_base_pair_step.j_label_comp_id_1 +_ndb_struct_na_base_pair_step.j_label_seq_id_1 +_ndb_struct_na_base_pair_step.j_symmetry_1 +_ndb_struct_na_base_pair_step.i_label_asym_id_2 +_ndb_struct_na_base_pair_step.i_label_comp_id_2 +_ndb_struct_na_base_pair_step.i_label_seq_id_2 +_ndb_struct_na_base_pair_step.i_symmetry_2 +_ndb_struct_na_base_pair_step.j_label_asym_id_2 +_ndb_struct_na_base_pair_step.j_label_comp_id_2 +_ndb_struct_na_base_pair_step.j_label_seq_id_2 +_ndb_struct_na_base_pair_step.j_symmetry_2 +_ndb_struct_na_base_pair_step.shift +_ndb_struct_na_base_pair_step.slide +_ndb_struct_na_base_pair_step.rise +_ndb_struct_na_base_pair_step.tilt +_ndb_struct_na_base_pair_step.roll +_ndb_struct_na_base_pair_step.twist +_ndb_struct_na_base_pair_step.x_displacement +_ndb_struct_na_base_pair_step.y_displacement +_ndb_struct_na_base_pair_step.helical_rise +_ndb_struct_na_base_pair_step.inclination +_ndb_struct_na_base_pair_step.tip +_ndb_struct_na_base_pair_step.helical_twist +_ndb_struct_na_base_pair_step.step_number +_ndb_struct_na_base_pair_step.step_name +_ndb_struct_na_base_pair_step.i_auth_asym_id_1 +_ndb_struct_na_base_pair_step.i_auth_seq_id_1 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.j_auth_asym_id_1 +_ndb_struct_na_base_pair_step.j_auth_seq_id_1 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.i_auth_asym_id_2 +_ndb_struct_na_base_pair_step.i_auth_seq_id_2 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 +_ndb_struct_na_base_pair_step.j_auth_asym_id_2 +_ndb_struct_na_base_pair_step.j_auth_seq_id_2 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 +1 A DG 1 1_555 B DC 8 1_555 A DA 2 1_555 B DT 7 1_555 -1.288 0.206 2.928 -6.950 -4.683 42.968 0.690 1.116 3.052 -6.322 9.381 +43.740 1 AA_DG1DA2:DT7DC8_BB A 1 ? B 8 ? A 2 ? B 7 ? +1 A DA 2 1_555 B DT 7 1_555 A DC 3 1_555 B DG 6 1_555 1.342 0.078 2.631 0.510 -2.031 29.405 0.504 -2.549 2.642 -3.995 -1.002 +29.478 2 AA_DA2DC3:DG6DT7_BB A 2 ? B 7 ? A 3 ? B 6 ? +1 A DC 3 1_555 B DG 6 1_555 A DA 4 1_555 B DT 5 1_555 -0.461 0.563 6.734 -2.941 -3.531 30.152 2.516 -0.328 6.640 -6.738 5.612 +30.492 3 AA_DC3DA4:DT5DG6_BB A 3 ? B 6 ? A 4 ? B 5 ? +1 A DA 4 1_555 B DT 5 1_555 A DT 5 1_555 B DA 4 1_555 -0.061 -0.187 3.246 0.015 15.483 15.911 -6.209 0.164 2.207 44.486 -0.042 +22.166 4 AA_DA4DT5:DA4DT5_BB A 4 ? B 5 ? A 5 ? B 4 ? +1 A DT 5 1_555 B DA 4 1_555 A DG 6 1_555 B DC 3 1_555 0.466 0.574 6.692 3.084 -3.050 30.951 2.248 0.331 6.620 -5.680 -5.744 +31.246 5 AA_DT5DG6:DC3DA4_BB A 5 ? B 4 ? A 6 ? B 3 ? +1 A DG 6 1_555 B DC 3 1_555 A DT 7 1_555 B DA 2 1_555 -1.319 0.059 2.633 -0.462 -1.337 29.593 0.343 2.500 2.648 -2.615 0.903 +29.626 6 AA_DG6DT7:DA2DC3_BB A 6 ? B 3 ? A 7 ? B 2 ? +1 A DT 7 1_555 B DA 2 1_555 A DC 8 1_555 B DG 1 1_555 1.273 0.201 2.966 6.696 -3.252 42.876 0.565 -1.114 3.099 -4.408 -9.078 +43.487 7 AA_DT7DC8:DG1DA2_BB A 7 ? B 2 ? A 8 ? B 1 ? +# +_atom_sites.entry_id 202D +_atom_sites.fract_transf_matrix[1][1] 1.000000 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 1.000000 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 1.000000 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +H +N +O +P +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 O "O5'" . DG A 1 1 ? -3.288 13.588 -5.402 1.00 1.03 ? 1 DG A "O5'" 1 +ATOM 2 C "C5'" . DG A 1 1 ? -2.245 14.105 -6.232 1.00 1.05 ? 1 DG A "C5'" 1 +ATOM 3 C "C4'" . DG A 1 1 ? -0.865 13.672 -5.735 1.00 0.89 ? 1 DG A "C4'" 1 +ATOM 4 O "O4'" . DG A 1 1 ? -0.633 14.246 -4.438 1.00 0.77 ? 1 DG A "O4'" 1 +ATOM 5 C "C3'" . DG A 1 1 ? -0.645 12.167 -5.670 1.00 0.78 ? 1 DG A "C3'" 1 +ATOM 6 O "O3'" . DG A 1 1 ? 0.675 11.886 -6.162 1.00 0.76 ? 1 DG A "O3'" 1 +ATOM 7 C "C2'" . DG A 1 1 ? -0.836 11.972 -4.170 1.00 0.67 ? 1 DG A "C2'" 1 +ATOM 8 C "C1'" . DG A 1 1 ? -0.196 13.208 -3.569 1.00 0.62 ? 1 DG A "C1'" 1 +ATOM 9 N N9 . DG A 1 1 ? -0.761 13.474 -2.244 1.00 0.54 ? 1 DG A N9 1 +ATOM 10 C C8 . DG A 1 1 ? -2.055 13.722 -1.916 1.00 0.60 ? 1 DG A C8 1 +ATOM 11 N N7 . DG A 1 1 ? -2.300 13.928 -0.659 1.00 0.57 ? 1 DG A N7 1 +ATOM 12 C C5 . DG A 1 1 ? -1.029 13.803 -0.092 1.00 0.46 ? 1 DG A C5 1 +ATOM 13 C C6 . DG A 1 1 ? -0.615 13.918 1.262 1.00 0.42 ? 1 DG A C6 1 +ATOM 14 O O6 . DG A 1 1 ? -1.265 14.149 2.276 1.00 0.46 ? 1 DG A O6 1 +ATOM 15 N N1 . DG A 1 1 ? 0.734 13.722 1.397 1.00 0.36 ? 1 DG A N1 1 +ATOM 16 C C2 . DG A 1 1 ? 1.598 13.450 0.368 1.00 0.36 ? 1 DG A C2 1 +ATOM 17 N N2 . DG A 1 1 ? 2.862 13.283 0.686 1.00 0.40 ? 1 DG A N2 1 +ATOM 18 N N3 . DG A 1 1 ? 1.238 13.338 -0.903 1.00 0.41 ? 1 DG A N3 1 +ATOM 19 C C4 . DG A 1 1 ? -0.090 13.526 -1.058 1.00 0.45 ? 1 DG A C4 1 +ATOM 20 H "H5'" . DG A 1 1 ? -2.284 15.193 -6.158 1.00 1.14 ? 1 DG A "H5'" 1 +ATOM 21 H "H5''" . DG A 1 1 ? -2.422 13.791 -7.260 1.00 1.14 ? 1 DG A "H5''" 1 +ATOM 22 H "H4'" . DG A 1 1 ? -0.043 13.999 -6.371 1.00 0.98 ? 1 DG A "H4'" 1 +ATOM 23 H "H3'" . DG A 1 1 ? -1.329 11.673 -6.360 1.00 0.87 ? 1 DG A "H3'" 1 +ATOM 24 H "H2'" . DG A 1 1 ? -1.907 11.999 -3.966 1.00 0.73 ? 1 DG A "H2'" 1 +ATOM 25 H "H2''" . DG A 1 1 ? -0.382 11.088 -3.723 1.00 0.65 ? 1 DG A "H2''" 1 +ATOM 26 H "H1'" . DG A 1 1 ? 0.893 13.148 -3.580 1.00 0.63 ? 1 DG A "H1'" 1 +ATOM 27 H H8 . DG A 1 1 ? -2.823 13.745 -2.690 1.00 0.67 ? 1 DG A H8 1 +ATOM 28 H H1 . DG A 1 1 ? 1.059 13.801 2.349 1.00 0.39 ? 1 DG A H1 1 +ATOM 29 H H21 . DG A 1 1 ? 3.152 13.394 1.650 1.00 0.44 ? 1 DG A H21 1 +ATOM 30 H H22 . DG A 1 1 ? 3.503 13.041 -0.053 1.00 0.46 ? 1 DG A H22 1 +ATOM 31 H "HO5'" . DG A 1 1 ? -3.008 13.757 -4.502 1.00 0.98 ? 1 DG A "HO5'" 1 +ATOM 32 P P . DA A 1 2 ? 1.594 10.637 -5.729 1.00 0.71 ? 2 DA A P 1 +ATOM 33 O OP1 . DA A 1 2 ? 2.515 10.346 -6.851 1.00 0.81 ? 2 DA A OP1 1 +ATOM 34 O OP2 . DA A 1 2 ? 0.736 9.566 -5.172 1.00 0.72 ? 2 DA A OP2 1 +ATOM 35 O "O5'" . DA A 1 2 ? 2.429 11.265 -4.503 1.00 0.66 ? 2 DA A "O5'" 1 +ATOM 36 C "C5'" . DA A 1 2 ? 3.662 11.978 -4.665 1.00 0.70 ? 2 DA A "C5'" 1 +ATOM 37 C "C4'" . DA A 1 2 ? 4.842 11.257 -4.012 1.00 0.66 ? 2 DA A "C4'" 1 +ATOM 38 O "O4'" . DA A 1 2 ? 4.778 11.202 -2.579 1.00 0.54 ? 2 DA A "O4'" 1 +ATOM 39 C "C3'" . DA A 1 2 ? 5.068 9.836 -4.494 1.00 0.69 ? 2 DA A "C3'" 1 +ATOM 40 O "O3'" . DA A 1 2 ? 6.469 9.574 -4.605 1.00 0.74 ? 2 DA A "O3'" 1 +ATOM 41 C "C2'" . DA A 1 2 ? 4.369 9.030 -3.425 1.00 0.57 ? 2 DA A "C2'" 1 +ATOM 42 C "C1'" . DA A 1 2 ? 4.390 9.881 -2.174 1.00 0.47 ? 2 DA A "C1'" 1 +ATOM 43 N N9 . DA A 1 2 ? 3.059 10.024 -1.529 1.00 0.38 ? 2 DA A N9 1 +ATOM 44 C C8 . DA A 1 2 ? 1.819 10.039 -2.102 1.00 0.40 ? 2 DA A C8 1 +ATOM 45 N N7 . DA A 1 2 ? 0.807 10.191 -1.315 1.00 0.36 ? 2 DA A N7 1 +ATOM 46 C C5 . DA A 1 2 ? 1.428 10.290 -0.076 1.00 0.29 ? 2 DA A C5 1 +ATOM 47 C C6 . DA A 1 2 ? 0.912 10.466 1.208 1.00 0.29 ? 2 DA A C6 1 +ATOM 48 N N6 . DA A 1 2 ? -0.386 10.570 1.455 1.00 0.36 ? 2 DA A N6 1 +ATOM 49 N N1 . DA A 1 2 ? 1.777 10.526 2.224 1.00 0.30 ? 2 DA A N1 1 +ATOM 50 C C2 . DA A 1 2 ? 3.078 10.417 1.981 1.00 0.31 ? 2 DA A C2 1 +ATOM 51 N N3 . DA A 1 2 ? 3.692 10.248 0.817 1.00 0.31 ? 2 DA A N3 1 +ATOM 52 C C4 . DA A 1 2 ? 2.793 10.191 -0.191 1.00 0.31 ? 2 DA A C4 1 +ATOM 53 H "H5'" . DA A 1 2 ? 3.566 12.950 -4.183 1.00 0.70 ? 2 DA A "H5'" 1 +ATOM 54 H "H5''" . DA A 1 2 ? 3.880 12.121 -5.723 1.00 0.81 ? 2 DA A "H5''" 1 +ATOM 55 H "H4'" . DA A 1 2 ? 5.739 11.822 -4.265 1.00 0.73 ? 2 DA A "H4'" 1 +ATOM 56 H "H3'" . DA A 1 2 ? 4.615 9.685 -5.475 1.00 0.76 ? 2 DA A "H3'" 1 +ATOM 57 H "H2'" . DA A 1 2 ? 3.385 8.714 -3.771 1.00 0.56 ? 2 DA A "H2'" 1 +ATOM 58 H "H2''" . DA A 1 2 ? 4.888 8.109 -3.159 1.00 0.62 ? 2 DA A "H2''" 1 +ATOM 59 H "H1'" . DA A 1 2 ? 5.169 9.391 -1.589 1.00 0.46 ? 2 DA A "H1'" 1 +ATOM 60 H H8 . DA A 1 2 ? 1.643 9.940 -3.173 1.00 0.48 ? 2 DA A H8 1 +ATOM 61 H H61 . DA A 1 2 ? -0.722 10.682 2.404 1.00 0.44 ? 2 DA A H61 1 +ATOM 62 H H62 . DA A 1 2 ? -1.042 10.537 0.690 1.00 0.42 ? 2 DA A H62 1 +ATOM 63 H H2 . DA A 1 2 ? 3.722 10.475 2.858 1.00 0.36 ? 2 DA A H2 1 +ATOM 64 P P . DC A 1 3 ? 7.058 8.116 -4.938 1.00 0.76 ? 3 DC A P 1 +ATOM 65 O OP1 . DC A 1 3 ? 8.526 8.240 -5.075 1.00 0.80 ? 3 DC A OP1 1 +ATOM 66 O OP2 . DC A 1 3 ? 6.259 7.503 -6.022 1.00 0.83 ? 3 DC A OP2 1 +ATOM 67 O "O5'" . DC A 1 3 ? 6.718 7.350 -3.565 1.00 0.65 ? 3 DC A "O5'" 1 +ATOM 68 C "C5'" . DC A 1 3 ? 7.328 7.756 -2.335 1.00 0.55 ? 3 DC A "C5'" 1 +ATOM 69 C "C4'" . DC A 1 3 ? 6.736 7.058 -1.134 1.00 0.42 ? 3 DC A "C4'" 1 +ATOM 70 O "O4'" . DC A 1 3 ? 5.496 7.584 -0.706 1.00 0.31 ? 3 DC A "O4'" 1 +ATOM 71 C "C3'" . DC A 1 3 ? 6.683 5.591 -1.073 1.00 0.43 ? 3 DC A "C3'" 1 +ATOM 72 O "O3'" . DC A 1 3 ? 7.930 5.012 -0.699 1.00 0.58 ? 3 DC A "O3'" 1 +ATOM 73 C "C2'" . DC A 1 3 ? 5.515 5.281 -0.153 1.00 0.28 ? 3 DC A "C2'" 1 +ATOM 74 C "C1'" . DC A 1 3 ? 4.945 6.646 0.213 1.00 0.21 ? 3 DC A "C1'" 1 +ATOM 75 N N1 . DC A 1 3 ? 3.499 6.808 -0.035 1.00 0.23 ? 3 DC A N1 1 +ATOM 76 C C2 . DC A 1 3 ? 2.708 7.242 1.003 1.00 0.22 ? 3 DC A C2 1 +ATOM 77 O O2 . DC A 1 3 ? 3.194 7.470 2.101 1.00 0.24 ? 3 DC A O2 1 +ATOM 78 N N3 . DC A 1 3 ? 1.385 7.424 0.797 1.00 0.31 ? 3 DC A N3 1 +ATOM 79 C C4 . DC A 1 3 ? 0.848 7.187 -0.397 1.00 0.37 ? 3 DC A C4 1 +ATOM 80 N N4 . DC A 1 3 ? -0.460 7.386 -0.533 1.00 0.48 ? 3 DC A N4 1 +ATOM 81 C C5 . DC A 1 3 ? 1.646 6.732 -1.499 1.00 0.39 ? 3 DC A C5 1 +ATOM 82 C C6 . DC A 1 3 ? 2.971 6.556 -1.269 1.00 0.34 ? 3 DC A C6 1 +ATOM 83 H "H5'" . DC A 1 3 ? 7.108 8.797 -2.100 1.00 0.52 ? 3 DC A "H5'" 1 +ATOM 84 H "H5''" . DC A 1 3 ? 8.404 7.595 -2.399 1.00 0.62 ? 3 DC A "H5''" 1 +ATOM 85 H "H4'" . DC A 1 3 ? 7.564 6.971 -0.430 1.00 0.46 ? 3 DC A "H4'" 1 +ATOM 86 H "H3'" . DC A 1 3 ? 6.514 5.564 -2.149 1.00 0.55 ? 3 DC A "H3'" 1 +ATOM 87 H "H2'" . DC A 1 3 ? 4.788 4.654 -0.669 1.00 0.38 ? 3 DC A "H2'" 1 +ATOM 88 H "H2''" . DC A 1 3 ? 5.837 4.760 0.749 1.00 0.22 ? 3 DC A "H2''" 1 +ATOM 89 H "H1'" . DC A 1 3 ? 5.288 6.876 1.222 1.00 0.24 ? 3 DC A "H1'" 1 +ATOM 90 H H41 . DC A 1 3 ? -1.007 7.633 0.280 1.00 0.54 ? 3 DC A H41 1 +ATOM 91 H H42 . DC A 1 3 ? -0.899 7.290 -1.435 1.00 0.57 ? 3 DC A H42 1 +ATOM 92 H H5 . DC A 1 3 ? 1.163 6.549 -2.459 1.00 0.48 ? 3 DC A H5 1 +ATOM 93 H H6 . DC A 1 3 ? 3.677 6.217 -2.026 1.00 0.39 ? 3 DC A H6 1 +ATOM 94 P P . DA A 1 4 ? 8.227 3.443 -0.918 1.00 0.70 ? 4 DA A P 1 +ATOM 95 O OP1 . DA A 1 4 ? 9.667 3.302 -1.233 1.00 0.96 ? 4 DA A OP1 1 +ATOM 96 O OP2 . DA A 1 4 ? 7.213 2.874 -1.837 1.00 0.81 ? 4 DA A OP2 1 +ATOM 97 O "O5'" . DA A 1 4 ? 7.953 2.846 0.546 1.00 0.56 ? 4 DA A "O5'" 1 +ATOM 98 C "C5'" . DA A 1 4 ? 8.850 3.124 1.629 1.00 0.51 ? 4 DA A "C5'" 1 +ATOM 99 C "C4'" . DA A 1 4 ? 8.345 2.532 2.931 1.00 0.39 ? 4 DA A "C4'" 1 +ATOM 100 O "O4'" . DA A 1 4 ? 7.078 3.117 3.270 1.00 0.33 ? 4 DA A "O4'" 1 +ATOM 101 C "C3'" . DA A 1 4 ? 8.213 1.020 2.832 1.00 0.38 ? 4 DA A "C3'" 1 +ATOM 102 O "O3'" . DA A 1 4 ? 9.391 0.393 3.356 1.00 0.39 ? 4 DA A "O3'" 1 +ATOM 103 C "C2'" . DA A 1 4 ? 7.005 0.799 3.737 1.00 0.34 ? 4 DA A "C2'" 1 +ATOM 104 C "C1'" . DA A 1 4 ? 6.194 2.078 3.681 1.00 0.31 ? 4 DA A "C1'" 1 +ATOM 105 N N9 . DA A 1 4 ? 5.011 1.957 2.818 1.00 0.26 ? 4 DA A N9 1 +ATOM 106 C C8 . DA A 1 4 ? 4.932 1.910 1.460 1.00 0.26 ? 4 DA A C8 1 +ATOM 107 N N7 . DA A 1 4 ? 3.729 1.772 0.973 1.00 0.27 ? 4 DA A N7 1 +ATOM 108 C C5 . DA A 1 4 ? 2.938 1.726 2.127 1.00 0.25 ? 4 DA A C5 1 +ATOM 109 C C6 . DA A 1 4 ? 1.552 1.591 2.342 1.00 0.28 ? 4 DA A C6 1 +ATOM 110 N N6 . DA A 1 4 ? 0.652 1.464 1.374 1.00 0.34 ? 4 DA A N6 1 +ATOM 111 N N1 . DA A 1 4 ? 1.113 1.586 3.609 1.00 0.28 ? 4 DA A N1 1 +ATOM 112 C C2 . DA A 1 4 ? 1.977 1.707 4.609 1.00 0.29 ? 4 DA A C2 1 +ATOM 113 N N3 . DA A 1 4 ? 3.293 1.836 4.538 1.00 0.30 ? 4 DA A N3 1 +ATOM 114 C C4 . DA A 1 4 ? 3.713 1.839 3.250 1.00 0.26 ? 4 DA A C4 1 +ATOM 115 H "H5'" . DA A 1 4 ? 8.951 4.203 1.749 1.00 0.52 ? 4 DA A "H5'" 1 +ATOM 116 H "H5''" . DA A 1 4 ? 9.820 2.677 1.412 1.00 0.68 ? 4 DA A "H5''" 1 +ATOM 117 H "H4'" . DA A 1 4 ? 9.059 2.725 3.732 1.00 0.44 ? 4 DA A "H4'" 1 +ATOM 118 H "H3'" . DA A 1 4 ? 8.096 0.762 1.779 1.00 0.42 ? 4 DA A "H3'" 1 +ATOM 119 H "H2'" . DA A 1 4 ? 6.332 -0.026 3.501 1.00 0.41 ? 4 DA A "H2'" 1 +ATOM 120 H "H2''" . DA A 1 4 ? 7.368 0.622 4.749 1.00 0.38 ? 4 DA A "H2''" 1 +ATOM 121 H "H1'" . DA A 1 4 ? 5.868 2.302 4.696 1.00 0.38 ? 4 DA A "H1'" 1 +ATOM 122 H H8 . DA A 1 4 ? 5.825 2.000 0.841 1.00 0.28 ? 4 DA A H8 1 +ATOM 123 H H61 . DA A 1 4 ? -0.317 1.299 1.620 1.00 0.35 ? 4 DA A H61 1 +ATOM 124 H H62 . DA A 1 4 ? 0.939 1.533 0.409 1.00 0.39 ? 4 DA A H62 1 +ATOM 125 H H2 . DA A 1 4 ? 1.533 1.712 5.604 1.00 0.34 ? 4 DA A H2 1 +ATOM 126 P P . DT A 1 5 ? 9.760 -1.161 3.093 1.00 0.42 ? 5 DT A P 1 +ATOM 127 O OP1 . DT A 1 5 ? 11.198 -1.345 3.396 1.00 0.55 ? 5 DT A OP1 1 +ATOM 128 O OP2 . DT A 1 5 ? 9.231 -1.557 1.768 1.00 0.61 ? 5 DT A OP2 1 +ATOM 129 O "O5'" . DT A 1 5 ? 8.909 -1.965 4.197 1.00 0.28 ? 5 DT A "O5'" 1 +ATOM 130 C "C5'" . DT A 1 5 ? 9.129 -1.776 5.602 1.00 0.21 ? 5 DT A "C5'" 1 +ATOM 131 C "C4'" . DT A 1 5 ? 7.993 -2.352 6.436 1.00 0.24 ? 5 DT A "C4'" 1 +ATOM 132 O "O4'" . DT A 1 5 ? 6.752 -1.769 5.982 1.00 0.26 ? 5 DT A "O4'" 1 +ATOM 133 C "C3'" . DT A 1 5 ? 7.878 -3.883 6.347 1.00 0.34 ? 5 DT A "C3'" 1 +ATOM 134 O "O3'" . DT A 1 5 ? 7.655 -4.515 7.616 1.00 0.43 ? 5 DT A "O3'" 1 +ATOM 135 C "C2'" . DT A 1 5 ? 6.664 -4.048 5.456 1.00 0.34 ? 5 DT A "C2'" 1 +ATOM 136 C "C1'" . DT A 1 5 ? 5.811 -2.826 5.786 1.00 0.26 ? 5 DT A "C1'" 1 +ATOM 137 N N1 . DT A 1 5 ? 4.881 -2.485 4.682 1.00 0.22 ? 5 DT A N1 1 +ATOM 138 C C2 . DT A 1 5 ? 3.533 -2.370 4.963 1.00 0.23 ? 5 DT A C2 1 +ATOM 139 O O2 . DT A 1 5 ? 3.050 -2.528 6.080 1.00 0.27 ? 5 DT A O2 1 +ATOM 140 N N3 . DT A 1 5 ? 2.720 -2.060 3.898 1.00 0.25 ? 5 DT A N3 1 +ATOM 141 C C4 . DT A 1 5 ? 3.113 -1.853 2.600 1.00 0.27 ? 5 DT A C4 1 +ATOM 142 O O4 . DT A 1 5 ? 2.258 -1.591 1.758 1.00 0.30 ? 5 DT A O4 1 +ATOM 143 C C5 . DT A 1 5 ? 4.538 -1.988 2.391 1.00 0.28 ? 5 DT A C5 1 +ATOM 144 C C7 . DT A 1 5 ? 5.161 -1.777 1.014 1.00 0.43 ? 5 DT A C7 1 +ATOM 145 C C6 . DT A 1 5 ? 5.353 -2.293 3.412 1.00 0.25 ? 5 DT A C6 1 +ATOM 146 H "H5'" . DT A 1 5 ? 9.180 -0.705 5.804 1.00 0.27 ? 5 DT A "H5'" 1 +ATOM 147 H "H5''" . DT A 1 5 ? 10.063 -2.248 5.905 1.00 0.29 ? 5 DT A "H5''" 1 +ATOM 148 H "H4'" . DT A 1 5 ? 8.157 -2.108 7.485 1.00 0.28 ? 5 DT A "H4'" 1 +ATOM 149 H "H3'" . DT A 1 5 ? 8.822 -4.267 5.961 1.00 0.43 ? 5 DT A "H3'" 1 +ATOM 150 H "H2'" . DT A 1 5 ? 6.987 -4.016 4.415 1.00 0.38 ? 5 DT A "H2'" 1 +ATOM 151 H "H2''" . DT A 1 5 ? 6.123 -4.979 5.625 1.00 0.42 ? 5 DT A "H2''" 1 +ATOM 152 H "H1'" . DT A 1 5 ? 5.317 -2.964 6.748 1.00 0.34 ? 5 DT A "H1'" 1 +ATOM 153 H H3 . DT A 1 5 ? 1.730 -1.980 4.074 1.00 0.28 ? 5 DT A H3 1 +ATOM 154 H H71 . DT A 1 5 ? 5.830 -0.918 1.063 1.00 0.52 ? 5 DT A H71 1 +ATOM 155 H H72 . DT A 1 5 ? 5.760 -2.648 0.745 1.00 0.53 ? 5 DT A H72 1 +ATOM 156 H H73 . DT A 1 5 ? 4.391 -1.610 0.261 1.00 0.50 ? 5 DT A H73 1 +ATOM 157 H H6 . DT A 1 5 ? 6.419 -2.391 3.206 1.00 0.31 ? 5 DT A H6 1 +ATOM 158 P P . DG A 1 6 ? 7.742 -6.129 7.760 1.00 0.51 ? 6 DG A P 1 +ATOM 159 O OP1 . DG A 1 6 ? 9.169 -6.513 7.670 1.00 0.64 ? 6 DG A OP1 1 +ATOM 160 O OP2 . DG A 1 6 ? 6.769 -6.743 6.833 1.00 0.50 ? 6 DG A OP2 1 +ATOM 161 O "O5'" . DG A 1 6 ? 7.271 -6.424 9.267 1.00 0.58 ? 6 DG A "O5'" 1 +ATOM 162 C "C5'" . DG A 1 6 ? 6.057 -5.970 9.887 1.00 0.51 ? 6 DG A "C5'" 1 +ATOM 163 C "C4'" . DG A 1 6 ? 4.805 -6.799 9.601 1.00 0.42 ? 6 DG A "C4'" 1 +ATOM 164 O "O4'" . DG A 1 6 ? 4.193 -6.669 8.293 1.00 0.37 ? 6 DG A "O4'" 1 +ATOM 165 C "C3'" . DG A 1 6 ? 4.974 -8.304 9.850 1.00 0.47 ? 6 DG A "C3'" 1 +ATOM 166 O "O3'" . DG A 1 6 ? 3.884 -8.903 10.574 1.00 0.46 ? 6 DG A "O3'" 1 +ATOM 167 C "C2'" . DG A 1 6 ? 4.929 -8.815 8.437 1.00 0.43 ? 6 DG A "C2'" 1 +ATOM 168 C "C1'" . DG A 1 6 ? 3.826 -7.986 7.829 1.00 0.36 ? 6 DG A "C1'" 1 +ATOM 169 N N9 . DG A 1 6 ? 3.770 -8.050 6.364 1.00 0.34 ? 6 DG A N9 1 +ATOM 170 C C8 . DG A 1 6 ? 4.761 -7.983 5.444 1.00 0.37 ? 6 DG A C8 1 +ATOM 171 N N7 . DG A 1 6 ? 4.398 -8.047 4.189 1.00 0.38 ? 6 DG A N7 1 +ATOM 172 C C5 . DG A 1 6 ? 3.009 -8.169 4.306 1.00 0.32 ? 6 DG A C5 1 +ATOM 173 C C6 . DG A 1 6 ? 2.000 -8.282 3.307 1.00 0.31 ? 6 DG A C6 1 +ATOM 174 O O6 . DG A 1 6 ? 2.078 -8.304 2.084 1.00 0.36 ? 6 DG A O6 1 +ATOM 175 N N1 . DG A 1 6 ? 0.751 -8.376 3.858 1.00 0.25 ? 6 DG A N1 1 +ATOM 176 C C2 . DG A 1 6 ? 0.480 -8.373 5.206 1.00 0.25 ? 6 DG A C2 1 +ATOM 177 N N2 . DG A 1 6 ? -0.769 -8.487 5.596 1.00 0.26 ? 6 DG A N2 1 +ATOM 178 N N3 . DG A 1 6 ? 1.395 -8.270 6.151 1.00 0.27 ? 6 DG A N3 1 +ATOM 179 C C4 . DG A 1 6 ? 2.634 -8.171 5.628 1.00 0.29 ? 6 DG A C4 1 +ATOM 180 H "H5'" . DG A 1 6 ? 5.836 -4.937 9.622 1.00 0.49 ? 6 DG A "H5'" 1 +ATOM 181 H "H5''" . DG A 1 6 ? 6.226 -6.018 10.963 1.00 0.61 ? 6 DG A "H5''" 1 +ATOM 182 H "H4'" . DG A 1 6 ? 4.144 -6.420 10.381 1.00 0.43 ? 6 DG A "H4'" 1 +ATOM 183 H "H3'" . DG A 1 6 ? 5.935 -8.507 10.324 1.00 0.55 ? 6 DG A "H3'" 1 +ATOM 184 H "H2'" . DG A 1 6 ? 5.877 -8.622 7.936 1.00 0.48 ? 6 DG A "H2'" 1 +ATOM 185 H "H2''" . DG A 1 6 ? 4.737 -9.886 8.369 1.00 0.48 ? 6 DG A "H2''" 1 +ATOM 186 H "H1'" . DG A 1 6 ? 2.864 -8.333 8.205 1.00 0.35 ? 6 DG A "H1'" 1 +ATOM 187 H H8 . DG A 1 6 ? 5.786 -7.864 5.795 1.00 0.42 ? 6 DG A H8 1 +ATOM 188 H H1 . DG A 1 6 ? 0.023 -8.421 3.157 1.00 0.24 ? 6 DG A H1 1 +ATOM 189 H H21 . DG A 1 6 ? -1.512 -8.456 4.912 1.00 0.26 ? 6 DG A H21 1 +ATOM 190 H H22 . DG A 1 6 ? -0.963 -8.609 6.575 1.00 0.36 ? 6 DG A H22 1 +ATOM 191 P P . DT A 1 7 ? 3.318 -8.390 11.993 1.00 0.48 ? 7 DT A P 1 +ATOM 192 O OP1 . DT A 1 7 ? 2.443 -7.213 11.743 1.00 0.49 ? 7 DT A OP1 1 +ATOM 193 O OP2 . DT A 1 7 ? 4.454 -8.282 12.934 1.00 0.58 ? 7 DT A OP2 1 +ATOM 194 O "O5'" . DT A 1 7 ? 2.393 -9.616 12.486 1.00 0.44 ? 7 DT A "O5'" 1 +ATOM 195 C "C5'" . DT A 1 7 ? 0.958 -9.581 12.453 1.00 0.43 ? 7 DT A "C5'" 1 +ATOM 196 C "C4'" . DT A 1 7 ? 0.349 -10.500 11.397 1.00 0.42 ? 7 DT A "C4'" 1 +ATOM 197 O "O4'" . DT A 1 7 ? 0.725 -10.205 10.030 1.00 0.39 ? 7 DT A "O4'" 1 +ATOM 198 C "C3'" . DT A 1 7 ? 0.637 -11.989 11.635 1.00 0.43 ? 7 DT A "C3'" 1 +ATOM 199 O "O3'" . DT A 1 7 ? -0.632 -12.611 11.871 1.00 0.50 ? 7 DT A "O3'" 1 +ATOM 200 C "C2'" . DT A 1 7 ? 1.234 -12.397 10.289 1.00 0.41 ? 7 DT A "C2'" 1 +ATOM 201 C "C1'" . DT A 1 7 ? 0.571 -11.443 9.324 1.00 0.37 ? 7 DT A "C1'" 1 +ATOM 202 N N1 . DT A 1 7 ? 1.133 -11.439 7.958 1.00 0.33 ? 7 DT A N1 1 +ATOM 203 C C2 . DT A 1 7 ? 0.223 -11.317 6.923 1.00 0.28 ? 7 DT A C2 1 +ATOM 204 O O2 . DT A 1 7 ? -0.987 -11.204 7.090 1.00 0.29 ? 7 DT A O2 1 +ATOM 205 N N3 . DT A 1 7 ? 0.739 -11.327 5.660 1.00 0.32 ? 7 DT A N3 1 +ATOM 206 C C4 . DT A 1 7 ? 2.060 -11.446 5.325 1.00 0.37 ? 7 DT A C4 1 +ATOM 207 O O4 . DT A 1 7 ? 2.376 -11.430 4.142 1.00 0.42 ? 7 DT A O4 1 +ATOM 208 C C5 . DT A 1 7 ? 2.953 -11.572 6.452 1.00 0.41 ? 7 DT A C5 1 +ATOM 209 C C7 . DT A 1 7 ? 4.454 -11.738 6.221 1.00 0.50 ? 7 DT A C7 1 +ATOM 210 C C6 . DT A 1 7 ? 2.476 -11.562 7.710 1.00 0.40 ? 7 DT A C6 1 +ATOM 211 H "H5'" . DT A 1 7 ? 0.612 -8.566 12.261 1.00 0.45 ? 7 DT A "H5'" 1 +ATOM 212 H "H5''" . DT A 1 7 ? 0.582 -9.884 13.431 1.00 0.45 ? 7 DT A "H5''" 1 +ATOM 213 H "H4'" . DT A 1 7 ? -0.733 -10.397 11.479 1.00 0.46 ? 7 DT A "H4'" 1 +ATOM 214 H "H3'" . DT A 1 7 ? 1.296 -12.140 12.491 1.00 0.48 ? 7 DT A "H3'" 1 +ATOM 215 H "H2'" . DT A 1 7 ? 2.313 -12.247 10.278 1.00 0.48 ? 7 DT A "H2'" 1 +ATOM 216 H "H2''" . DT A 1 7 ? 1.012 -13.422 9.989 1.00 0.43 ? 7 DT A "H2''" 1 +ATOM 217 H "H1'" . DT A 1 7 ? -0.476 -11.733 9.236 1.00 0.38 ? 7 DT A "H1'" 1 +ATOM 218 H H3 . DT A 1 7 ? 0.067 -11.237 4.911 1.00 0.31 ? 7 DT A H3 1 +ATOM 219 H H71 . DT A 1 7 ? 4.783 -12.646 6.727 1.00 0.56 ? 7 DT A H71 1 +ATOM 220 H H72 . DT A 1 7 ? 4.653 -11.827 5.153 1.00 0.53 ? 7 DT A H72 1 +ATOM 221 H H73 . DT A 1 7 ? 5.012 -10.890 6.618 1.00 0.57 ? 7 DT A H73 1 +ATOM 222 H H6 . DT A 1 7 ? 3.188 -11.648 8.531 1.00 0.45 ? 7 DT A H6 1 +ATOM 223 P P . DC A 1 8 ? -0.799 -14.179 12.196 1.00 0.57 ? 8 DC A P 1 +ATOM 224 O OP1 . DC A 1 8 ? -0.124 -14.445 13.486 1.00 0.72 ? 8 DC A OP1 1 +ATOM 225 O OP2 . DC A 1 8 ? -0.427 -14.959 10.994 1.00 0.49 ? 8 DC A OP2 1 +ATOM 226 O "O5'" . DC A 1 8 ? -2.381 -14.358 12.437 1.00 0.64 ? 8 DC A "O5'" 1 +ATOM 227 C "C5'" . DC A 1 8 ? -3.409 -13.765 11.627 1.00 0.61 ? 8 DC A "C5'" 1 +ATOM 228 C "C4'" . DC A 1 8 ? -3.464 -14.251 10.165 1.00 0.51 ? 8 DC A "C4'" 1 +ATOM 229 O "O4'" . DC A 1 8 ? -2.412 -13.799 9.293 1.00 0.44 ? 8 DC A "O4'" 1 +ATOM 230 C "C3'" . DC A 1 8 ? -3.407 -15.771 10.069 1.00 0.49 ? 8 DC A "C3'" 1 +ATOM 231 O "O3'" . DC A 1 8 ? -4.631 -16.457 10.337 1.00 0.65 ? 8 DC A "O3'" 1 +ATOM 232 C "C2'" . DC A 1 8 ? -2.912 -15.985 8.633 1.00 0.46 ? 8 DC A "C2'" 1 +ATOM 233 C "C1'" . DC A 1 8 ? -2.491 -14.632 8.117 1.00 0.43 ? 8 DC A "C1'" 1 +ATOM 234 N N1 . DC A 1 8 ? -1.186 -14.697 7.437 1.00 0.38 ? 8 DC A N1 1 +ATOM 235 C C2 . DC A 1 8 ? -1.106 -14.371 6.088 1.00 0.38 ? 8 DC A C2 1 +ATOM 236 O O2 . DC A 1 8 ? -2.086 -14.038 5.426 1.00 0.42 ? 8 DC A O2 1 +ATOM 237 N N3 . DC A 1 8 ? 0.101 -14.436 5.483 1.00 0.34 ? 8 DC A N3 1 +ATOM 238 C C4 . DC A 1 8 ? 1.187 -14.803 6.162 1.00 0.34 ? 8 DC A C4 1 +ATOM 239 N N4 . DC A 1 8 ? 2.334 -14.850 5.496 1.00 0.38 ? 8 DC A N4 1 +ATOM 240 C C5 . DC A 1 8 ? 1.122 -15.142 7.556 1.00 0.36 ? 8 DC A C5 1 +ATOM 241 C C6 . DC A 1 8 ? -0.086 -15.074 8.142 1.00 0.36 ? 8 DC A C6 1 +ATOM 242 H "H5'" . DC A 1 8 ? -3.287 -12.682 11.670 1.00 0.62 ? 8 DC A "H5'" 1 +ATOM 243 H "H5''" . DC A 1 8 ? -4.357 -14.021 12.100 1.00 0.71 ? 8 DC A "H5''" 1 +ATOM 244 H "H4'" . DC A 1 8 ? -4.432 -13.923 9.784 1.00 0.56 ? 8 DC A "H4'" 1 +ATOM 245 H "H3'" . DC A 1 8 ? -2.658 -16.079 10.799 1.00 0.51 ? 8 DC A "H3'" 1 +ATOM 246 H "HO3'" . DC A 1 8 ? -4.842 -16.292 11.258 1.00 0.77 ? 8 DC A "HO3'" 1 +ATOM 247 H "H2'" . DC A 1 8 ? -2.040 -16.639 8.626 1.00 0.45 ? 8 DC A "H2'" 1 +ATOM 248 H "H2''" . DC A 1 8 ? -3.675 -16.301 7.922 1.00 0.51 ? 8 DC A "H2''" 1 +ATOM 249 H "H1'" . DC A 1 8 ? -3.265 -14.388 7.390 1.00 0.51 ? 8 DC A "H1'" 1 +ATOM 250 H H41 . DC A 1 8 ? 2.326 -14.667 4.497 1.00 0.39 ? 8 DC A H41 1 +ATOM 251 H H42 . DC A 1 8 ? 3.200 -15.064 5.967 1.00 0.49 ? 8 DC A H42 1 +ATOM 252 H H5 . DC A 1 8 ? 1.993 -15.443 8.139 1.00 0.41 ? 8 DC A H5 1 +ATOM 253 H H6 . DC A 1 8 ? -0.216 -15.326 9.194 1.00 0.39 ? 8 DC A H6 1 +ATOM 254 O "O5'" . DG B 1 1 ? 1.090 -14.444 -5.183 1.00 0.68 ? 1 DG B "O5'" 1 +ATOM 255 C "C5'" . DG B 1 1 ? -0.155 -15.027 -5.570 1.00 0.69 ? 1 DG B "C5'" 1 +ATOM 256 C "C4'" . DG B 1 1 ? -1.292 -14.595 -4.640 1.00 0.62 ? 1 DG B "C4'" 1 +ATOM 257 O "O4'" . DG B 1 1 ? -1.044 -15.106 -3.320 1.00 0.59 ? 1 DG B "O4'" 1 +ATOM 258 C "C3'" . DG B 1 1 ? -1.536 -13.093 -4.563 1.00 0.55 ? 1 DG B "C3'" 1 +ATOM 259 O "O3'" . DG B 1 1 ? -2.955 -12.865 -4.577 1.00 0.55 ? 1 DG B "O3'" 1 +ATOM 260 C "C2'" . DG B 1 1 ? -0.844 -12.818 -3.233 1.00 0.48 ? 1 DG B "C2'" 1 +ATOM 261 C "C1'" . DG B 1 1 ? -1.193 -14.034 -2.395 1.00 0.48 ? 1 DG B "C1'" 1 +ATOM 262 N N9 . DG B 1 1 ? -0.197 -14.221 -1.336 1.00 0.48 ? 1 DG B N9 1 +ATOM 263 C C8 . DG B 1 1 ? 1.137 -14.423 -1.469 1.00 0.56 ? 1 DG B C8 1 +ATOM 264 N N7 . DG B 1 1 ? 1.812 -14.559 -0.369 1.00 0.61 ? 1 DG B N7 1 +ATOM 265 C C5 . DG B 1 1 ? 0.813 -14.432 0.601 1.00 0.52 ? 1 DG B C5 1 +ATOM 266 C C6 . DG B 1 1 ? 0.900 -14.487 2.019 1.00 0.53 ? 1 DG B C6 1 +ATOM 267 O O6 . DG B 1 1 ? 1.868 -14.652 2.754 1.00 0.63 ? 1 DG B O6 1 +ATOM 268 N N1 . DG B 1 1 ? -0.325 -14.316 2.605 1.00 0.46 ? 1 DG B N1 1 +ATOM 269 C C2 . DG B 1 1 ? -1.499 -14.114 1.931 1.00 0.43 ? 1 DG B C2 1 +ATOM 270 N N2 . DG B 1 1 ? -2.578 -13.962 2.663 1.00 0.47 ? 1 DG B N2 1 +ATOM 271 N N3 . DG B 1 1 ? -1.610 -14.060 0.611 1.00 0.44 ? 1 DG B N3 1 +ATOM 272 C C4 . DG B 1 1 ? -0.413 -14.227 0.011 1.00 0.46 ? 1 DG B C4 1 +ATOM 273 H "H5'" . DG B 1 1 ? -0.054 -16.107 -5.464 1.00 0.78 ? 1 DG B "H5'" 1 +ATOM 274 H "H5''" . DG B 1 1 ? -0.359 -14.769 -6.610 1.00 0.73 ? 1 DG B "H5''" 1 +ATOM 275 H "H4'" . DG B 1 1 ? -2.271 -14.971 -4.936 1.00 0.71 ? 1 DG B "H4'" 1 +ATOM 276 H "H3'" . DG B 1 1 ? -1.147 -12.622 -5.466 1.00 0.61 ? 1 DG B "H3'" 1 +ATOM 277 H "H2'" . DG B 1 1 ? 0.231 -12.815 -3.416 1.00 0.51 ? 1 DG B "H2'" 1 +ATOM 278 H "H2''" . DG B 1 1 ? -1.143 -11.922 -2.690 1.00 0.48 ? 1 DG B "H2''" 1 +ATOM 279 H "H1'" . DG B 1 1 ? -2.221 -13.992 -2.035 1.00 0.52 ? 1 DG B "H1'" 1 +ATOM 280 H H8 . DG B 1 1 ? 1.589 -14.469 -2.460 1.00 0.60 ? 1 DG B H8 1 +ATOM 281 H H1 . DG B 1 1 ? -0.296 -14.350 3.613 1.00 0.46 ? 1 DG B H1 1 +ATOM 282 H H21 . DG B 1 1 ? -2.510 -14.030 3.671 1.00 0.48 ? 1 DG B H21 1 +ATOM 283 H H22 . DG B 1 1 ? -3.445 -13.775 2.185 1.00 0.59 ? 1 DG B H22 1 +ATOM 284 H "HO5'" . DG B 1 1 ? 1.155 -14.571 -4.237 1.00 0.69 ? 1 DG B "HO5'" 1 +ATOM 285 P P . DA B 1 2 ? -3.709 -11.600 -3.914 1.00 0.46 ? 2 DA B P 1 +ATOM 286 O OP1 . DA B 1 2 ? -4.969 -11.377 -4.657 1.00 0.53 ? 2 DA B OP1 1 +ATOM 287 O OP2 . DA B 1 2 ? -2.741 -10.493 -3.744 1.00 0.53 ? 2 DA B OP2 1 +ATOM 288 O "O5'" . DA B 1 2 ? -4.053 -12.161 -2.442 1.00 0.46 ? 2 DA B "O5'" 1 +ATOM 289 C "C5'" . DA B 1 2 ? -5.249 -12.887 -2.129 1.00 0.42 ? 2 DA B "C5'" 1 +ATOM 290 C "C4'" . DA B 1 2 ? -6.142 -12.141 -1.137 1.00 0.39 ? 2 DA B "C4'" 1 +ATOM 291 O "O4'" . DA B 1 2 ? -5.582 -12.009 0.177 1.00 0.36 ? 2 DA B "O4'" 1 +ATOM 292 C "C3'" . DA B 1 2 ? -6.552 -10.747 -1.577 1.00 0.43 ? 2 DA B "C3'" 1 +ATOM 293 O "O3'" . DA B 1 2 ? -7.908 -10.491 -1.206 1.00 0.47 ? 2 DA B "O3'" 1 +ATOM 294 C "C2'" . DA B 1 2 ? -5.542 -9.883 -0.859 1.00 0.42 ? 2 DA B "C2'" 1 +ATOM 295 C "C1'" . DA B 1 2 ? -5.106 -10.666 0.359 1.00 0.35 ? 2 DA B "C1'" 1 +ATOM 296 N N9 . DA B 1 2 ? -3.630 -10.768 0.504 1.00 0.30 ? 2 DA B N9 1 +ATOM 297 C C8 . DA B 1 2 ? -2.668 -10.808 -0.464 1.00 0.31 ? 2 DA B C8 1 +ATOM 298 N N7 . DA B 1 2 ? -1.441 -10.912 -0.074 1.00 0.32 ? 2 DA B N7 1 +ATOM 299 C C5 . DA B 1 2 ? -1.588 -10.948 1.306 1.00 0.29 ? 2 DA B C5 1 +ATOM 300 C C6 . DA B 1 2 ? -0.652 -11.052 2.335 1.00 0.30 ? 2 DA B C6 1 +ATOM 301 N N6 . DA B 1 2 ? 0.654 -11.135 2.119 1.00 0.34 ? 2 DA B N6 1 +ATOM 302 N N1 . DA B 1 2 ? -1.106 -11.061 3.592 1.00 0.31 ? 2 DA B N1 1 +ATOM 303 C C2 . DA B 1 2 ? -2.412 -10.971 3.813 1.00 0.30 ? 2 DA B C2 1 +ATOM 304 N N3 . DA B 1 2 ? -3.397 -10.868 2.932 1.00 0.29 ? 2 DA B N3 1 +ATOM 305 C C4 . DA B 1 2 ? -2.909 -10.862 1.672 1.00 0.28 ? 2 DA B C4 1 +ATOM 306 H "H5'" . DA B 1 2 ? -4.968 -13.831 -1.661 1.00 0.43 ? 2 DA B "H5'" 1 +ATOM 307 H "H5''" . DA B 1 2 ? -5.819 -13.087 -3.035 1.00 0.45 ? 2 DA B "H5''" 1 +ATOM 308 H "H4'" . DA B 1 2 ? -7.059 -12.722 -1.034 1.00 0.40 ? 2 DA B "H4'" 1 +ATOM 309 H "H3'" . DA B 1 2 ? -6.472 -10.647 -2.660 1.00 0.49 ? 2 DA B "H3'" 1 +ATOM 310 H "H2'" . DA B 1 2 ? -4.750 -9.579 -1.545 1.00 0.45 ? 2 DA B "H2'" 1 +ATOM 311 H "H2''" . DA B 1 2 ? -5.952 -8.950 -0.472 1.00 0.45 ? 2 DA B "H2''" 1 +ATOM 312 H "H1'" . DA B 1 2 ? -5.641 -10.149 1.155 1.00 0.35 ? 2 DA B "H1'" 1 +ATOM 313 H H8 . DA B 1 2 ? -2.881 -10.765 -1.533 1.00 0.37 ? 2 DA B H8 1 +ATOM 314 H H61 . DA B 1 2 ? 1.304 -11.196 2.893 1.00 0.39 ? 2 DA B H61 1 +ATOM 315 H H62 . DA B 1 2 ? 1.001 -11.140 1.172 1.00 0.44 ? 2 DA B H62 1 +ATOM 316 H H2 . DA B 1 2 ? -2.708 -10.986 4.863 1.00 0.37 ? 2 DA B H2 1 +ATOM 317 P P . DC B 1 3 ? -8.592 -9.049 -1.397 1.00 0.50 ? 3 DC B P 1 +ATOM 318 O OP1 . DC B 1 3 ? -10.013 -9.168 -1.006 1.00 0.57 ? 3 DC B OP1 1 +ATOM 319 O OP2 . DC B 1 3 ? -8.228 -8.510 -2.728 1.00 0.58 ? 3 DC B OP2 1 +ATOM 320 O "O5'" . DC B 1 3 ? -7.805 -8.202 -0.279 1.00 0.50 ? 3 DC B "O5'" 1 +ATOM 321 C "C5'" . DC B 1 3 ? -7.939 -8.524 1.111 1.00 0.44 ? 3 DC B "C5'" 1 +ATOM 322 C "C4'" . DC B 1 3 ? -6.977 -7.754 1.983 1.00 0.40 ? 3 DC B "C4'" 1 +ATOM 323 O "O4'" . DC B 1 3 ? -5.655 -8.260 1.986 1.00 0.31 ? 3 DC B "O4'" 1 +ATOM 324 C "C3'" . DC B 1 3 ? -6.927 -6.289 1.931 1.00 0.46 ? 3 DC B "C3'" 1 +ATOM 325 O "O3'" . DC B 1 3 ? -7.972 -5.682 2.684 1.00 0.61 ? 3 DC B "O3'" 1 +ATOM 326 C "C2'" . DC B 1 3 ? -5.516 -5.928 2.363 1.00 0.35 ? 3 DC B "C2'" 1 +ATOM 327 C "C1'" . DC B 1 3 ? -4.835 -7.269 2.595 1.00 0.27 ? 3 DC B "C1'" 1 +ATOM 328 N N1 . DC B 1 3 ? -3.560 -7.455 1.871 1.00 0.25 ? 3 DC B N1 1 +ATOM 329 C C2 . DC B 1 3 ? -2.453 -7.828 2.594 1.00 0.26 ? 3 DC B C2 1 +ATOM 330 O O2 . DC B 1 3 ? -2.521 -7.984 3.804 1.00 0.27 ? 3 DC B O2 1 +ATOM 331 N N3 . DC B 1 3 ? -1.281 -8.031 1.949 1.00 0.30 ? 3 DC B N3 1 +ATOM 332 C C4 . DC B 1 3 ? -1.198 -7.871 0.630 1.00 0.33 ? 3 DC B C4 1 +ATOM 333 N N4 . DC B 1 3 ? -0.018 -8.086 0.059 1.00 0.44 ? 3 DC B N4 1 +ATOM 334 C C5 . DC B 1 3 ? -2.337 -7.481 -0.148 1.00 0.35 ? 3 DC B C5 1 +ATOM 335 C C6 . DC B 1 3 ? -3.500 -7.284 0.518 1.00 0.29 ? 3 DC B C6 1 +ATOM 336 H "H5'" . DC B 1 3 ? -7.633 -9.549 1.321 1.00 0.42 ? 3 DC B "H5'" 1 +ATOM 337 H "H5''" . DC B 1 3 ? -8.974 -8.365 1.415 1.00 0.50 ? 3 DC B "H5''" 1 +ATOM 338 H "H4'" . DC B 1 3 ? -7.509 -7.615 2.924 1.00 0.48 ? 3 DC B "H4'" 1 +ATOM 339 H "H3'" . DC B 1 3 ? -7.144 -6.328 0.863 1.00 0.54 ? 3 DC B "H3'" 1 +ATOM 340 H "H2'" . DC B 1 3 ? -5.021 -5.340 1.590 1.00 0.37 ? 3 DC B "H2'" 1 +ATOM 341 H "H2''" . DC B 1 3 ? -5.508 -5.345 3.283 1.00 0.32 ? 3 DC B "H2''" 1 +ATOM 342 H "H1'" . DC B 1 3 ? -4.804 -7.430 3.673 1.00 0.27 ? 3 DC B "H1'" 1 +ATOM 343 H H41 . DC B 1 3 ? 0.785 -8.286 0.642 1.00 0.47 ? 3 DC B H41 1 +ATOM 344 H H42 . DC B 1 3 ? 0.076 -8.050 -0.944 1.00 0.52 ? 3 DC B H42 1 +ATOM 345 H H5 . DC B 1 3 ? -2.224 -7.359 -1.225 1.00 0.46 ? 3 DC B H5 1 +ATOM 346 H H6 . DC B 1 3 ? -4.431 -6.990 0.032 1.00 0.34 ? 3 DC B H6 1 +ATOM 347 P P . DA B 1 4 ? -8.345 -4.131 2.487 1.00 0.75 ? 4 DA B P 1 +ATOM 348 O OP1 . DA B 1 4 ? -9.803 -3.996 2.703 1.00 1.01 ? 4 DA B OP1 1 +ATOM 349 O OP2 . DA B 1 4 ? -7.736 -3.638 1.231 1.00 0.87 ? 4 DA B OP2 1 +ATOM 350 O "O5'" . DA B 1 4 ? -7.569 -3.440 3.713 1.00 0.61 ? 4 DA B "O5'" 1 +ATOM 351 C "C5'" . DA B 1 4 ? -8.009 -3.631 5.063 1.00 0.59 ? 4 DA B "C5'" 1 +ATOM 352 C "C4'" . DA B 1 4 ? -7.075 -2.957 6.051 1.00 0.45 ? 4 DA B "C4'" 1 +ATOM 353 O "O4'" . DA B 1 4 ? -5.764 -3.530 5.951 1.00 0.31 ? 4 DA B "O4'" 1 +ATOM 354 C "C3'" . DA B 1 4 ? -7.008 -1.457 5.809 1.00 0.48 ? 4 DA B "C3'" 1 +ATOM 355 O "O3'" . DA B 1 4 ? -7.924 -0.784 6.680 1.00 0.57 ? 4 DA B "O3'" 1 +ATOM 356 C "C2'" . DA B 1 4 ? -5.559 -1.186 6.201 1.00 0.38 ? 4 DA B "C2'" 1 +ATOM 357 C "C1'" . DA B 1 4 ? -4.807 -2.474 5.939 1.00 0.32 ? 4 DA B "C1'" 1 +ATOM 358 N N9 . DA B 1 4 ? -4.017 -2.425 4.702 1.00 0.31 ? 4 DA B N9 1 +ATOM 359 C C8 . DA B 1 4 ? -4.434 -2.474 3.407 1.00 0.32 ? 4 DA B C8 1 +ATOM 360 N N7 . DA B 1 4 ? -3.490 -2.383 2.512 1.00 0.32 ? 4 DA B N7 1 +ATOM 361 C C5 . DA B 1 4 ? -2.336 -2.266 3.298 1.00 0.30 ? 4 DA B C5 1 +ATOM 362 C C6 . DA B 1 4 ? -0.970 -2.132 2.990 1.00 0.30 ? 4 DA B C6 1 +ATOM 363 N N6 . DA B 1 4 ? -0.485 -2.083 1.757 1.00 0.37 ? 4 DA B N6 1 +ATOM 364 N N1 . DA B 1 4 ? -0.101 -2.045 4.009 1.00 0.30 ? 4 DA B N1 1 +ATOM 365 C C2 . DA B 1 4 ? -0.543 -2.086 5.258 1.00 0.28 ? 4 DA B C2 1 +ATOM 366 N N3 . DA B 1 4 ? -1.795 -2.205 5.675 1.00 0.28 ? 4 DA B N3 1 +ATOM 367 C C4 . DA B 1 4 ? -2.652 -2.292 4.628 1.00 0.28 ? 4 DA B C4 1 +ATOM 368 H "H5'" . DA B 1 4 ? -8.045 -4.697 5.286 1.00 0.56 ? 4 DA B "H5'" 1 +ATOM 369 H "H5''" . DA B 1 4 ? -8.998 -3.190 5.182 1.00 0.80 ? 4 DA B "H5''" 1 +ATOM 370 H "H4'" . DA B 1 4 ? -7.448 -3.083 7.068 1.00 0.50 ? 4 DA B "H4'" 1 +ATOM 371 H "H3'" . DA B 1 4 ? -7.281 -1.270 4.771 1.00 0.52 ? 4 DA B "H3'" 1 +ATOM 372 H "H2'" . DA B 1 4 ? -5.029 -0.384 5.687 1.00 0.43 ? 4 DA B "H2'" 1 +ATOM 373 H "H2''" . DA B 1 4 ? -5.534 -0.935 7.261 1.00 0.38 ? 4 DA B "H2''" 1 +ATOM 374 H "H1'" . DA B 1 4 ? -4.130 -2.633 6.778 1.00 0.38 ? 4 DA B "H1'" 1 +ATOM 375 H H8 . DA B 1 4 ? -5.489 -2.595 3.161 1.00 0.36 ? 4 DA B H8 1 +ATOM 376 H H61 . DA B 1 4 ? 0.506 -1.913 1.626 1.00 0.37 ? 4 DA B H61 1 +ATOM 377 H H62 . DA B 1 4 ? -1.104 -2.213 0.970 1.00 0.43 ? 4 DA B H62 1 +ATOM 378 H H2 . DA B 1 4 ? 0.230 -2.028 6.026 1.00 0.31 ? 4 DA B H2 1 +ATOM 379 P P . DT B 1 5 ? -8.375 0.750 6.447 1.00 0.63 ? 5 DT B P 1 +ATOM 380 O OP1 . DT B 1 5 ? -9.597 0.985 7.249 1.00 0.83 ? 5 DT B OP1 1 +ATOM 381 O OP2 . DT B 1 5 ? -8.384 1.024 4.992 1.00 0.77 ? 5 DT B OP2 1 +ATOM 382 O "O5'" . DT B 1 5 ? -7.183 1.625 7.082 1.00 0.43 ? 5 DT B "O5'" 1 +ATOM 383 C "C5'" . DT B 1 5 ? -6.861 1.556 8.477 1.00 0.36 ? 5 DT B "C5'" 1 +ATOM 384 C "C4'" . DT B 1 5 ? -5.508 2.182 8.778 1.00 0.27 ? 5 DT B "C4'" 1 +ATOM 385 O "O4'" . DT B 1 5 ? -4.516 1.546 7.943 1.00 0.28 ? 5 DT B "O4'" 1 +ATOM 386 C "C3'" . DT B 1 5 ? -5.465 3.696 8.523 1.00 0.30 ? 5 DT B "C3'" 1 +ATOM 387 O "O3'" . DT B 1 5 ? -4.800 4.424 9.563 1.00 0.38 ? 5 DT B "O3'" 1 +ATOM 388 C "C2'" . DT B 1 5 ? -4.671 3.771 7.234 1.00 0.32 ? 5 DT B "C2'" 1 +ATOM 389 C "C1'" . DT B 1 5 ? -3.734 2.569 7.325 1.00 0.28 ? 5 DT B "C1'" 1 +ATOM 390 N N1 . DT B 1 5 ? -3.278 2.122 5.985 1.00 0.29 ? 5 DT B N1 1 +ATOM 391 C C2 . DT B 1 5 ? -1.921 2.010 5.749 1.00 0.30 ? 5 DT B C2 1 +ATOM 392 O O2 . DT B 1 5 ? -1.058 2.251 6.588 1.00 0.33 ? 5 DT B O2 1 +ATOM 393 N N3 . DT B 1 5 ? -1.559 1.599 4.487 1.00 0.33 ? 5 DT B N3 1 +ATOM 394 C C4 . DT B 1 5 ? -2.405 1.292 3.452 1.00 0.36 ? 5 DT B C4 1 +ATOM 395 O O4 . DT B 1 5 ? -1.921 0.949 2.376 1.00 0.39 ? 5 DT B O4 1 +ATOM 396 C C5 . DT B 1 5 ? -3.806 1.433 3.782 1.00 0.36 ? 5 DT B C5 1 +ATOM 397 C C7 . DT B 1 5 ? -4.895 1.121 2.761 1.00 0.47 ? 5 DT B C7 1 +ATOM 398 C C6 . DT B 1 5 ? -4.187 1.833 5.004 1.00 0.33 ? 5 DT B C6 1 +ATOM 399 H "H5'" . DT B 1 5 ? -6.817 0.507 8.770 1.00 0.46 ? 5 DT B "H5'" 1 +ATOM 400 H "H5''" . DT B 1 5 ? -7.624 2.067 9.065 1.00 0.47 ? 5 DT B "H5''" 1 +ATOM 401 H "H4'" . DT B 1 5 ? -5.263 2.032 9.829 1.00 0.32 ? 5 DT B "H4'" 1 +ATOM 402 H "H3'" . DT B 1 5 ? -6.490 4.064 8.485 1.00 0.37 ? 5 DT B "H3'" 1 +ATOM 403 H "H2'" . DT B 1 5 ? -5.356 3.656 6.395 1.00 0.37 ? 5 DT B "H2'" 1 +ATOM 404 H "H2''" . DT B 1 5 ? -4.122 4.705 7.112 1.00 0.39 ? 5 DT B "H2''" 1 +ATOM 405 H "H1'" . DT B 1 5 ? -2.923 2.783 8.020 1.00 0.31 ? 5 DT B "H1'" 1 +ATOM 406 H H3 . DT B 1 5 ? -0.573 1.520 4.291 1.00 0.33 ? 5 DT B H3 1 +ATOM 407 H H71 . DT B 1 5 ? -5.485 0.280 3.127 1.00 0.57 ? 5 DT B H71 1 +ATOM 408 H H72 . DT B 1 5 ? -5.565 1.975 2.668 1.00 0.52 ? 5 DT B H72 1 +ATOM 409 H H73 . DT B 1 5 ? -4.453 0.883 1.794 1.00 0.58 ? 5 DT B H73 1 +ATOM 410 H H6 . DT B 1 5 ? -5.254 1.930 5.202 1.00 0.37 ? 5 DT B H6 1 +ATOM 411 P P . DG B 1 6 ? -4.888 6.037 9.600 1.00 0.47 ? 6 DG B P 1 +ATOM 412 O OP1 . DG B 1 6 ? -6.264 6.413 9.996 1.00 0.58 ? 6 DG B OP1 1 +ATOM 413 O OP2 . DG B 1 6 ? -4.324 6.568 8.342 1.00 0.53 ? 6 DG B OP2 1 +ATOM 414 O "O5'" . DG B 1 6 ? -3.920 6.442 10.815 1.00 0.49 ? 6 DG B "O5'" 1 +ATOM 415 C "C5'" . DG B 1 6 ? -2.557 6.027 10.990 1.00 0.44 ? 6 DG B "C5'" 1 +ATOM 416 C "C4'" . DG B 1 6 ? -1.509 6.823 10.213 1.00 0.40 ? 6 DG B "C4'" 1 +ATOM 417 O "O4'" . DG B 1 6 ? -1.400 6.586 8.786 1.00 0.37 ? 6 DG B "O4'" 1 +ATOM 418 C "C3'" . DG B 1 6 ? -1.616 8.342 10.392 1.00 0.41 ? 6 DG B "C3'" 1 +ATOM 419 O "O3'" . DG B 1 6 ? -0.353 8.984 10.644 1.00 0.44 ? 6 DG B "O3'" 1 +ATOM 420 C "C2'" . DG B 1 6 ? -2.086 8.740 9.023 1.00 0.40 ? 6 DG B "C2'" 1 +ATOM 421 C "C1'" . DG B 1 6 ? -1.253 7.861 8.125 1.00 0.37 ? 6 DG B "C1'" 1 +ATOM 422 N N9 . DG B 1 6 ? -1.724 7.809 6.735 1.00 0.38 ? 6 DG B N9 1 +ATOM 423 C C8 . DG B 1 6 ? -2.976 7.678 6.237 1.00 0.41 ? 6 DG B C8 1 +ATOM 424 N N7 . DG B 1 6 ? -3.087 7.641 4.935 1.00 0.42 ? 6 DG B N7 1 +ATOM 425 C C5 . DG B 1 6 ? -1.750 7.763 4.536 1.00 0.38 ? 6 DG B C5 1 +ATOM 426 C C6 . DG B 1 6 ? -1.166 7.791 3.237 1.00 0.39 ? 6 DG B C6 1 +ATOM 427 O O6 . DG B 1 6 ? -1.677 7.720 2.125 1.00 0.42 ? 6 DG B O6 1 +ATOM 428 N N1 . DG B 1 6 ? 0.194 7.920 3.298 1.00 0.36 ? 6 DG B N1 1 +ATOM 429 C C2 . DG B 1 6 ? 0.929 8.020 4.456 1.00 0.36 ? 6 DG B C2 1 +ATOM 430 N N2 . DG B 1 6 ? 2.231 8.157 4.366 1.00 0.36 ? 6 DG B N2 1 +ATOM 431 N N3 . DG B 1 6 ? 0.413 7.998 5.672 1.00 0.36 ? 6 DG B N3 1 +ATOM 432 C C4 . DG B 1 6 ? -0.928 7.866 5.635 1.00 0.36 ? 6 DG B C4 1 +ATOM 433 H "H5'" . DG B 1 6 ? -2.423 4.975 10.739 1.00 0.46 ? 6 DG B "H5'" 1 +ATOM 434 H "H5''" . DG B 1 6 ? -2.334 6.159 12.048 1.00 0.51 ? 6 DG B "H5''" 1 +ATOM 435 H "H4'" . DG B 1 6 ? -0.605 6.501 10.730 1.00 0.44 ? 6 DG B "H4'" 1 +ATOM 436 H "H3'" . DG B 1 6 ? -2.347 8.587 11.161 1.00 0.45 ? 6 DG B "H3'" 1 +ATOM 437 H "H2'" . DG B 1 6 ? -3.145 8.512 8.910 1.00 0.43 ? 6 DG B "H2'" 1 +ATOM 438 H "H2''" . DG B 1 6 ? -1.959 9.802 8.810 1.00 0.46 ? 6 DG B "H2''" 1 +ATOM 439 H "H1'" . DG B 1 6 ? -0.227 8.229 8.107 1.00 0.38 ? 6 DG B "H1'" 1 +ATOM 440 H H8 . DG B 1 6 ? -3.806 7.594 6.940 1.00 0.42 ? 6 DG B H8 1 +ATOM 441 H H1 . DG B 1 6 ? 0.625 7.906 2.383 1.00 0.37 ? 6 DG B H1 1 +ATOM 442 H H21 . DG B 1 6 ? 2.683 8.069 3.466 1.00 0.34 ? 6 DG B H21 1 +ATOM 443 H H22 . DG B 1 6 ? 2.757 8.354 5.200 1.00 0.44 ? 6 DG B H22 1 +ATOM 444 P P . DT B 1 7 ? 0.659 8.558 11.825 1.00 0.49 ? 7 DT B P 1 +ATOM 445 O OP1 . DT B 1 7 ? 1.408 7.354 11.372 1.00 0.52 ? 7 DT B OP1 1 +ATOM 446 O OP2 . DT B 1 7 ? -0.082 8.533 13.106 1.00 0.61 ? 7 DT B OP2 1 +ATOM 447 O "O5'" . DT B 1 7 ? 1.681 9.803 11.881 1.00 0.45 ? 7 DT B "O5'" 1 +ATOM 448 C "C5'" . DT B 1 7 ? 3.013 9.744 11.350 1.00 0.43 ? 7 DT B "C5'" 1 +ATOM 449 C "C4'" . DT B 1 7 ? 3.204 10.579 10.086 1.00 0.42 ? 7 DT B "C4'" 1 +ATOM 450 O "O4'" . DT B 1 7 ? 2.375 10.195 8.963 1.00 0.38 ? 7 DT B "O4'" 1 +ATOM 451 C "C3'" . DT B 1 7 ? 2.997 12.084 10.306 1.00 0.46 ? 7 DT B "C3'" 1 +ATOM 452 O "O3'" . DT B 1 7 ? 4.263 12.701 10.043 1.00 0.53 ? 7 DT B "O3'" 1 +ATOM 453 C "C2'" . DT B 1 7 ? 1.964 12.407 9.227 1.00 0.42 ? 7 DT B "C2'" 1 +ATOM 454 C "C1'" . DT B 1 7 ? 2.257 11.378 8.164 1.00 0.39 ? 7 DT B "C1'" 1 +ATOM 455 N N1 . DT B 1 7 ? 1.253 11.285 7.083 1.00 0.35 ? 7 DT B N1 1 +ATOM 456 C C2 . DT B 1 7 ? 1.746 11.078 5.807 1.00 0.35 ? 7 DT B C2 1 +ATOM 457 O O2 . DT B 1 7 ? 2.939 10.960 5.546 1.00 0.40 ? 7 DT B O2 1 +ATOM 458 N N3 . DT B 1 7 ? 0.821 11.007 4.807 1.00 0.39 ? 7 DT B N3 1 +ATOM 459 C C4 . DT B 1 7 ? -0.536 11.121 4.946 1.00 0.40 ? 7 DT B C4 1 +ATOM 460 O O4 . DT B 1 7 ? -1.244 11.026 3.952 1.00 0.44 ? 7 DT B O4 1 +ATOM 461 C C5 . DT B 1 7 ? -0.982 11.338 6.304 1.00 0.39 ? 7 DT B C5 1 +ATOM 462 C C7 . DT B 1 7 ? -2.474 11.509 6.598 1.00 0.46 ? 7 DT B C7 1 +ATOM 463 C C6 . DT B 1 7 ? -0.094 11.410 7.311 1.00 0.37 ? 7 DT B C6 1 +ATOM 464 H "H5'" . DT B 1 7 ? 3.278 8.713 11.116 1.00 0.47 ? 7 DT B "H5'" 1 +ATOM 465 H "H5''" . DT B 1 7 ? 3.705 10.103 12.112 1.00 0.47 ? 7 DT B "H5''" 1 +ATOM 466 H "H4'" . DT B 1 7 ? 4.247 10.466 9.791 1.00 0.47 ? 7 DT B "H4'" 1 +ATOM 467 H "H3'" . DT B 1 7 ? 2.680 12.300 11.327 1.00 0.52 ? 7 DT B "H3'" 1 +ATOM 468 H "H2'" . DT B 1 7 ? 0.952 12.266 9.608 1.00 0.46 ? 7 DT B "H2'" 1 +ATOM 469 H "H2''" . DT B 1 7 ? 2.052 13.405 8.798 1.00 0.46 ? 7 DT B "H2''" 1 +ATOM 470 H "H1'" . DT B 1 7 ? 3.205 11.646 7.694 1.00 0.45 ? 7 DT B "H1'" 1 +ATOM 471 H H3 . DT B 1 7 ? 1.187 10.854 3.877 1.00 0.40 ? 7 DT B H3 1 +ATOM 472 H H71 . DT B 1 7 ? -2.622 12.455 7.119 1.00 0.54 ? 7 DT B H71 1 +ATOM 473 H H72 . DT B 1 7 ? -3.035 11.524 5.664 1.00 0.52 ? 7 DT B H72 1 +ATOM 474 H H73 . DT B 1 7 ? -2.848 10.697 7.222 1.00 0.49 ? 7 DT B H73 1 +ATOM 475 H H6 . DT B 1 7 ? -0.475 11.562 8.321 1.00 0.41 ? 7 DT B H6 1 +ATOM 476 P P . DC B 1 8 ? 4.535 14.281 10.172 1.00 0.65 ? 8 DC B P 1 +ATOM 477 O OP1 . DC B 1 8 ? 4.355 14.672 11.588 1.00 0.81 ? 8 DC B OP1 1 +ATOM 478 O OP2 . DC B 1 8 ? 3.782 14.983 9.109 1.00 0.62 ? 8 DC B OP2 1 +ATOM 479 O "O5'" . DC B 1 8 ? 6.103 14.399 9.836 1.00 0.75 ? 8 DC B "O5'" 1 +ATOM 480 C "C5'" . DC B 1 8 ? 6.768 13.689 8.780 1.00 0.72 ? 8 DC B "C5'" 1 +ATOM 481 C "C4'" . DC B 1 8 ? 6.320 14.056 7.349 1.00 0.60 ? 8 DC B "C4'" 1 +ATOM 482 O "O4'" . DC B 1 8 ? 5.023 13.589 6.939 1.00 0.51 ? 8 DC B "O4'" 1 +ATOM 483 C "C3'" . DC B 1 8 ? 6.261 15.567 7.138 1.00 0.62 ? 8 DC B "C3'" 1 +ATOM 484 O "O3'" . DC B 1 8 ? 7.513 16.212 6.897 1.00 0.76 ? 8 DC B "O3'" 1 +ATOM 485 C "C2'" . DC B 1 8 ? 5.298 15.692 5.952 1.00 0.51 ? 8 DC B "C2'" 1 +ATOM 486 C "C1'" . DC B 1 8 ? 4.701 14.323 5.738 1.00 0.47 ? 8 DC B "C1'" 1 +ATOM 487 N N1 . DC B 1 8 ? 3.243 14.396 5.547 1.00 0.35 ? 8 DC B N1 1 +ATOM 488 C C2 . DC B 1 8 ? 2.692 13.970 4.345 1.00 0.34 ? 8 DC B C2 1 +ATOM 489 O O2 . DC B 1 8 ? 3.372 13.537 3.417 1.00 0.43 ? 8 DC B O2 1 +ATOM 490 N N3 . DC B 1 8 ? 1.350 14.047 4.192 1.00 0.28 ? 8 DC B N3 1 +ATOM 491 C C4 . DC B 1 8 ? 0.578 14.519 5.170 1.00 0.27 ? 8 DC B C4 1 +ATOM 492 N N4 . DC B 1 8 ? -0.729 14.572 4.944 1.00 0.31 ? 8 DC B N4 1 +ATOM 493 C C5 . DC B 1 8 ? 1.131 14.961 6.418 1.00 0.33 ? 8 DC B C5 1 +ATOM 494 C C6 . DC B 1 8 ? 2.467 14.880 6.554 1.00 0.36 ? 8 DC B C6 1 +ATOM 495 H "H5'" . DC B 1 8 ? 6.647 12.621 8.964 1.00 0.69 ? 8 DC B "H5'" 1 +ATOM 496 H "H5''" . DC B 1 8 ? 7.826 13.936 8.872 1.00 0.84 ? 8 DC B "H5''" 1 +ATOM 497 H "H4'" . DC B 1 8 ? 7.090 13.653 6.690 1.00 0.65 ? 8 DC B "H4'" 1 +ATOM 498 H "H3'" . DC B 1 8 ? 5.822 15.969 8.051 1.00 0.61 ? 8 DC B "H3'" 1 +ATOM 499 H "HO3'" . DC B 1 8 ? 8.030 16.115 7.698 1.00 0.91 ? 8 DC B "HO3'" 1 +ATOM 500 H "H2'" . DC B 1 8 ? 4.491 16.388 6.185 1.00 0.49 ? 8 DC B "H2'" 1 +ATOM 501 H "H2''" . DC B 1 8 ? 5.771 15.913 4.996 1.00 0.59 ? 8 DC B "H2''" 1 +ATOM 502 H "H1'" . DC B 1 8 ? 5.170 13.986 4.813 1.00 0.53 ? 8 DC B "H1'" 1 +ATOM 503 H H41 . DC B 1 8 ? -1.075 14.313 4.025 1.00 0.30 ? 8 DC B H41 1 +ATOM 504 H H42 . DC B 1 8 ? -1.367 14.867 5.665 1.00 0.45 ? 8 DC B H42 1 +ATOM 505 H H5 . DC B 1 8 ? 0.528 15.350 7.239 1.00 0.39 ? 8 DC B H5 1 +ATOM 506 H H6 . DC B 1 8 ? 2.960 15.206 7.469 1.00 0.44 ? 8 DC B H6 1 +HETATM 507 C C1 . MNG C 2 . ? 3.325 -5.266 1.975 1.00 0.32 ? 9 MNG A C1 1 +HETATM 508 C C2 . MNG C 2 . ? 2.991 -5.275 0.612 1.00 0.37 ? 9 MNG A C2 1 +HETATM 509 C C3 . MNG C 2 . ? 1.663 -5.257 0.236 1.00 0.34 ? 9 MNG A C3 1 +HETATM 510 C C4 . MNG C 2 . ? 0.665 -5.231 1.150 1.00 0.29 ? 9 MNG A C4 1 +HETATM 511 C C5 . MNG C 2 . ? -0.115 -5.202 3.457 1.00 0.20 ? 9 MNG A C5 1 +HETATM 512 C C6 . MNG C 2 . ? -0.917 -5.186 5.816 1.00 0.19 ? 9 MNG A C6 1 +HETATM 513 C C7 . MNG C 2 . ? -1.737 -5.179 8.314 1.00 0.29 ? 9 MNG A C7 1 +HETATM 514 C C8 . MNG C 2 . ? -1.133 -4.922 9.703 1.00 0.33 ? 9 MNG A C8 1 +HETATM 515 C C9 . MNG C 2 . ? 0.131 -5.720 9.962 1.00 0.34 ? 9 MNG A C9 1 +HETATM 516 C C10 . MNG C 2 . ? 1.201 -5.209 9.054 1.00 0.31 ? 9 MNG A C10 1 +HETATM 517 C C11 . MNG C 2 . ? 1.717 -5.215 6.642 1.00 0.22 ? 9 MNG A C11 1 +HETATM 518 C C12 . MNG C 2 . ? 2.541 -5.234 4.339 1.00 0.24 ? 9 MNG A C12 1 +HETATM 519 C C16 . MNG C 2 . ? 2.295 -5.241 2.957 1.00 0.26 ? 9 MNG A C16 1 +HETATM 520 C C17 . MNG C 2 . ? 0.937 -5.223 2.526 1.00 0.24 ? 9 MNG A C17 1 +HETATM 521 C C18 . MNG C 2 . ? 0.122 -5.200 4.844 1.00 0.18 ? 9 MNG A C18 1 +HETATM 522 C C19 . MNG C 2 . ? -0.619 -5.188 7.207 1.00 0.23 ? 9 MNG A C19 1 +HETATM 523 C C20 . MNG C 2 . ? 0.730 -5.203 7.592 1.00 0.24 ? 9 MNG A C20 1 +HETATM 524 C C21 . MNG C 2 . ? 1.476 -5.215 5.274 1.00 0.19 ? 9 MNG A C21 1 +HETATM 525 C "C1'" . MNG C 2 . ? 5.702 -5.426 1.386 1.00 0.42 ? 9 MNG A "C1'" 1 +HETATM 526 C "C2'" . MNG C 2 . ? 6.061 -6.929 1.122 1.00 0.46 ? 9 MNG A "C2'" 1 +HETATM 527 C "C3'" . MNG C 2 . ? 4.841 -7.628 0.398 1.00 0.47 ? 9 MNG A "C3'" 1 +HETATM 528 C "C4'" . MNG C 2 . ? 4.353 -6.781 -0.884 1.00 0.48 ? 9 MNG A "C4'" 1 +HETATM 529 C "C5'" . MNG C 2 . ? 4.123 -5.309 -0.437 1.00 0.43 ? 9 MNG A "C5'" 1 +HETATM 530 C C5M . MNG C 2 . ? 3.803 -4.428 -1.658 1.00 0.49 ? 9 MNG A C5M 1 +HETATM 531 C C1M . MNG C 2 . ? 6.562 -9.403 -0.328 1.00 0.60 ? 9 MNG A C1M 1 +HETATM 532 C C2M . MNG C 2 . ? 4.267 -10.103 0.467 1.00 0.57 ? 9 MNG A C2M 1 +HETATM 533 C C7M . MNG C 2 . ? -3.885 -4.189 8.912 1.00 0.44 ? 9 MNG A C7M 1 +HETATM 534 C C9M . MNG C 2 . ? -0.100 -7.218 9.726 1.00 0.38 ? 9 MNG A C9M 1 +HETATM 535 O O1 . MNG C 2 . ? 4.665 -5.285 2.357 1.00 0.37 ? 9 MNG A O1 1 +HETATM 536 O O4 . MNG C 2 . ? -0.614 -5.215 0.644 1.00 0.29 ? 9 MNG A O4 1 +HETATM 537 O O5 . MNG C 2 . ? -1.246 -5.190 2.956 1.00 0.24 ? 9 MNG A O5 1 +HETATM 538 O O6 . MNG C 2 . ? -2.218 -5.174 5.344 1.00 0.24 ? 9 MNG A O6 1 +HETATM 539 O O7 . MNG C 2 . ? -2.737 -4.183 8.047 1.00 0.35 ? 9 MNG A O7 1 +HETATM 540 O O9 . MNG C 2 . ? 0.534 -5.579 11.295 1.00 0.39 ? 9 MNG A O9 1 +HETATM 541 O O12 . MNG C 2 . ? 3.699 -5.248 4.755 1.00 0.29 ? 9 MNG A O12 1 +HETATM 542 O "O1'" . MNG C 2 . ? 5.335 -4.808 0.142 1.00 0.44 ? 9 MNG A "O1'" 1 +HETATM 543 O "O2'" . MNG C 2 . ? 6.403 -7.617 2.323 1.00 0.47 ? 9 MNG A "O2'" 1 +HETATM 544 O "O4'" . MNG C 2 . ? 3.166 -7.336 -1.441 1.00 0.50 ? 9 MNG A "O4'" 1 +HETATM 545 N N1 . MNG C 2 . ? 5.143 -9.024 -0.063 1.00 0.53 ? 9 MNG A N1 1 +HETATM 546 H H3 . MNG C 2 . ? 1.362 -5.265 -0.801 1.00 0.38 ? 9 MNG A H3 1 +HETATM 547 H H7 . MNG C 2 . ? -2.203 -6.170 8.396 1.00 0.30 ? 9 MNG A H7 1 +HETATM 548 H H81 . MNG C 2 . ? -1.915 -5.168 10.436 1.00 0.37 ? 9 MNG A H81 1 +HETATM 549 H H82 . MNG C 2 . ? -0.900 -3.854 9.819 1.00 0.32 ? 9 MNG A H82 1 +HETATM 550 H H101 . MNG C 2 . ? 1.527 -4.196 9.324 1.00 0.32 ? 9 MNG A H101 1 +HETATM 551 H H102 . MNG C 2 . ? 2.074 -5.857 9.211 1.00 0.37 ? 9 MNG A H102 1 +HETATM 552 H H11 . MNG C 2 . ? 2.739 -5.226 6.992 1.00 0.25 ? 9 MNG A H11 1 +HETATM 553 H "H1'" . MNG C 2 . ? 6.639 -4.968 1.733 1.00 0.42 ? 9 MNG A "H1'" 1 +HETATM 554 H "H2'" . MNG C 2 . ? 6.959 -6.909 0.488 1.00 0.50 ? 9 MNG A "H2'" 1 +HETATM 555 H "H3'" . MNG C 2 . ? 4.045 -7.674 1.154 1.00 0.43 ? 9 MNG A "H3'" 1 +HETATM 556 H "H4'" . MNG C 2 . ? 5.095 -6.729 -1.693 1.00 0.56 ? 9 MNG A "H4'" 1 +HETATM 557 H H5M1 . MNG C 2 . ? 4.632 -4.472 -2.348 1.00 0.55 ? 9 MNG A H5M1 1 +HETATM 558 H H5M2 . MNG C 2 . ? 3.657 -3.401 -1.359 1.00 0.50 ? 9 MNG A H5M2 1 +HETATM 559 H H5M3 . MNG C 2 . ? 2.921 -4.788 -2.168 1.00 0.48 ? 9 MNG A H5M3 1 +HETATM 560 H H1M1 . MNG C 2 . ? 7.103 -9.483 0.603 1.00 0.63 ? 9 MNG A H1M1 1 +HETATM 561 H H1M2 . MNG C 2 . ? 7.053 -8.666 -0.944 1.00 0.67 ? 9 MNG A H1M2 1 +HETATM 562 H H1M3 . MNG C 2 . ? 6.617 -10.356 -0.832 1.00 0.66 ? 9 MNG A H1M3 1 +HETATM 563 H H2M1 . MNG C 2 . ? 4.422 -11.014 -0.091 1.00 0.63 ? 9 MNG A H2M1 1 +HETATM 564 H H2M2 . MNG C 2 . ? 3.227 -9.823 0.392 1.00 0.55 ? 9 MNG A H2M2 1 +HETATM 565 H H2M3 . MNG C 2 . ? 4.493 -10.296 1.506 1.00 0.60 ? 9 MNG A H2M3 1 +HETATM 566 H H7M1 . MNG C 2 . ? -4.377 -5.149 8.871 1.00 0.50 ? 9 MNG A H7M1 1 +HETATM 567 H H7M2 . MNG C 2 . ? -3.591 -3.970 9.928 1.00 0.50 ? 9 MNG A H7M2 1 +HETATM 568 H H7M3 . MNG C 2 . ? -4.585 -3.430 8.593 1.00 0.52 ? 9 MNG A H7M3 1 +HETATM 569 H H9M1 . MNG C 2 . ? 0.813 -7.764 9.907 1.00 0.38 ? 9 MNG A H9M1 1 +HETATM 570 H H9M2 . MNG C 2 . ? -0.409 -7.439 8.715 1.00 0.38 ? 9 MNG A H9M2 1 +HETATM 571 H H9M3 . MNG C 2 . ? -0.850 -7.581 10.414 1.00 0.40 ? 9 MNG A H9M3 1 +HETATM 572 H HO4 . MNG C 2 . ? -1.178 -5.199 1.438 1.00 0.29 ? 9 MNG A HO4 1 +HETATM 573 H HO6 . MNG C 2 . ? -2.843 -4.785 5.957 1.00 0.30 ? 9 MNG A HO6 1 +HETATM 574 H HO9 . MNG C 2 . ? 1.282 -6.188 11.469 1.00 0.41 ? 9 MNG A HO9 1 +HETATM 575 H "HO2'" . MNG C 2 . ? 5.654 -7.695 2.939 1.00 0.45 ? 9 MNG A "HO2'" 1 +HETATM 576 H "HO4'" . MNG C 2 . ? 3.338 -8.257 -1.681 1.00 0.59 ? 9 MNG A "HO4'" 1 +HETATM 577 C C1 . MNG D 2 . ? -2.830 4.683 2.697 1.00 0.41 ? 9 MNG B C1 1 +HETATM 578 C C2 . MNG D 2 . ? -3.010 4.593 1.308 1.00 0.45 ? 9 MNG B C2 1 +HETATM 579 C C3 . MNG D 2 . ? -1.906 4.547 0.481 1.00 0.42 ? 9 MNG B C3 1 +HETATM 580 C C4 . MNG D 2 . ? -0.646 4.587 0.972 1.00 0.38 ? 9 MNG B C4 1 +HETATM 581 C C5 . MNG D 2 . ? 0.914 4.727 2.837 1.00 0.33 ? 9 MNG B C5 1 +HETATM 582 C C6 . MNG D 2 . ? 2.513 4.882 4.742 1.00 0.33 ? 9 MNG B C6 1 +HETATM 583 C C7 . MNG D 2 . ? 4.177 5.057 6.769 1.00 0.40 ? 9 MNG B C7 1 +HETATM 584 C C8 . MNG D 2 . ? 4.125 4.908 8.299 1.00 0.41 ? 9 MNG B C8 1 +HETATM 585 C C9 . MNG D 2 . ? 3.016 5.721 8.942 1.00 0.41 ? 9 MNG B C9 1 +HETATM 586 C C10 . MNG D 2 . ? 1.705 5.145 8.517 1.00 0.38 ? 9 MNG B C10 1 +HETATM 587 C C11 . MNG D 2 . ? 0.353 4.973 6.461 1.00 0.32 ? 9 MNG B C11 1 +HETATM 588 C C12 . MNG D 2 . ? -1.247 4.825 4.615 1.00 0.35 ? 9 MNG B C12 1 +HETATM 589 C C16 . MNG D 2 . ? -1.515 4.730 3.241 1.00 0.37 ? 9 MNG B C16 1 +HETATM 590 C C17 . MNG D 2 . ? -0.403 4.680 2.350 1.00 0.36 ? 9 MNG B C17 1 +HETATM 591 C C18 . MNG D 2 . ? 1.191 4.825 4.212 1.00 0.31 ? 9 MNG B C18 1 +HETATM 592 C C19 . MNG D 2 . ? 2.736 4.986 6.144 1.00 0.36 ? 9 MNG B C19 1 +HETATM 593 C C20 . MNG D 2 . ? 1.617 5.030 6.988 1.00 0.35 ? 9 MNG B C20 1 +HETATM 594 C C21 . MNG D 2 . ? 0.084 4.872 5.101 1.00 0.31 ? 9 MNG B C21 1 +HETATM 595 C "C1'" . MNG D 2 . ? -5.262 4.799 2.995 1.00 0.51 ? 9 MNG B "C1'" 1 +HETATM 596 C "C2'" . MNG D 2 . ? -5.732 6.279 2.776 1.00 0.55 ? 9 MNG B "C2'" 1 +HETATM 597 C "C3'" . MNG D 2 . ? -4.872 6.925 1.616 1.00 0.54 ? 9 MNG B "C3'" 1 +HETATM 598 C "C4'" . MNG D 2 . ? -4.857 5.985 0.306 1.00 0.55 ? 9 MNG B "C4'" 1 +HETATM 599 C "C5'" . MNG D 2 . ? -4.443 4.550 0.739 1.00 0.51 ? 9 MNG B "C5'" 1 +HETATM 600 C C5M . MNG D 2 . ? -4.559 3.582 -0.455 1.00 0.55 ? 9 MNG B C5M 1 +HETATM 601 C C1M . MNG D 2 . ? -6.787 8.641 1.445 1.00 0.71 ? 9 MNG B C1M 1 +HETATM 602 C C2M . MNG D 2 . ? -4.380 9.398 1.308 1.00 0.64 ? 9 MNG B C2M 1 +HETATM 603 C C7M . MNG D 2 . ? 6.420 4.114 6.614 1.00 0.49 ? 9 MNG B C7M 1 +HETATM 604 C C9M . MNG D 2 . ? 3.109 7.199 8.537 1.00 0.45 ? 9 MNG B C9M 1 +HETATM 605 O O1 . MNG D 2 . ? -3.941 4.731 3.535 1.00 0.44 ? 9 MNG B O1 1 +HETATM 606 O O4 . MNG D 2 . ? 0.363 4.534 0.039 1.00 0.38 ? 9 MNG B O4 1 +HETATM 607 O O5 . MNG D 2 . ? 1.787 4.676 1.963 1.00 0.33 ? 9 MNG B O5 1 +HETATM 608 O O6 . MNG D 2 . ? 3.554 4.834 3.833 1.00 0.34 ? 9 MNG B O6 1 +HETATM 609 O O7 . MNG D 2 . ? 5.037 4.042 6.227 1.00 0.43 ? 9 MNG B O7 1 +HETATM 610 O O9 . MNG D 2 . ? 3.118 5.679 10.339 1.00 0.45 ? 9 MNG B O9 1 +HETATM 611 O O12 . MNG D 2 . ? -2.176 4.869 5.419 1.00 0.40 ? 9 MNG B O12 1 +HETATM 612 O "O1'" . MNG D 2 . ? -5.350 4.092 1.749 1.00 0.53 ? 9 MNG B "O1'" 1 +HETATM 613 O "O2'" . MNG D 2 . ? -5.636 7.052 3.970 1.00 0.55 ? 9 MNG B "O2'" 1 +HETATM 614 O "O4'" . MNG D 2 . ? -3.968 6.496 -0.680 1.00 0.55 ? 9 MNG B "O4'" 1 +HETATM 615 N N1 . MNG D 2 . ? -5.358 8.284 1.203 1.00 0.62 ? 9 MNG B N1 1 +HETATM 616 H H3 . MNG D 2 . ? -2.000 4.479 -0.593 1.00 0.45 ? 9 MNG B H3 1 +HETATM 617 H H7 . MNG D 2 . ? 4.617 6.052 6.604 1.00 0.41 ? 9 MNG B H7 1 +HETATM 618 H H81 . MNG D 2 . ? 5.113 5.207 8.678 1.00 0.47 ? 9 MNG B H81 1 +HETATM 619 H H82 . MNG D 2 . ? 3.979 3.852 8.567 1.00 0.44 ? 9 MNG B H82 1 +HETATM 620 H H101 . MNG D 2 . ? 1.525 4.153 8.956 1.00 0.38 ? 9 MNG B H101 1 +HETATM 621 H H102 . MNG D 2 . ? 0.932 5.807 8.929 1.00 0.42 ? 9 MNG B H102 1 +HETATM 622 H H11 . MNG D 2 . ? -0.473 5.011 7.155 1.00 0.34 ? 9 MNG B H11 1 +HETATM 623 H "H1'" . MNG D 2 . ? -5.999 4.370 3.688 1.00 0.54 ? 9 MNG B "H1'" 1 +HETATM 624 H "H2'" . MNG D 2 . ? -6.797 6.215 2.511 1.00 0.61 ? 9 MNG B "H2'" 1 +HETATM 625 H "H3'" . MNG D 2 . ? -3.860 7.027 2.027 1.00 0.51 ? 9 MNG B "H3'" 1 +HETATM 626 H "H4'" . MNG D 2 . ? -5.840 5.872 -0.174 1.00 0.62 ? 9 MNG B "H4'" 1 +HETATM 627 H H5M1 . MNG D 2 . ? -5.584 3.573 -0.796 1.00 0.62 ? 9 MNG B H5M1 1 +HETATM 628 H H5M2 . MNG D 2 . ? -4.285 2.580 -0.160 1.00 0.55 ? 9 MNG B H5M2 1 +HETATM 629 H H5M3 . MNG D 2 . ? -3.935 3.903 -1.275 1.00 0.56 ? 9 MNG B H5M3 1 +HETATM 630 H H1M1 . MNG D 2 . ? -6.957 8.785 2.501 1.00 0.72 ? 9 MNG B H1M1 1 +HETATM 631 H H1M2 . MNG D 2 . ? -7.448 7.860 1.098 1.00 0.76 ? 9 MNG B H1M2 1 +HETATM 632 H H1M3 . MNG D 2 . ? -7.046 9.556 0.934 1.00 0.79 ? 9 MNG B H1M3 1 +HETATM 633 H H2M1 . MNG D 2 . ? -4.748 10.268 0.784 1.00 0.70 ? 9 MNG B H2M1 1 +HETATM 634 H H2M2 . MNG D 2 . ? -3.429 9.115 0.879 1.00 0.60 ? 9 MNG B H2M2 1 +HETATM 635 H H2M3 . MNG D 2 . ? -4.220 9.664 2.342 1.00 0.69 ? 9 MNG B H2M3 1 +HETATM 636 H H7M1 . MNG D 2 . ? 6.837 5.068 6.330 1.00 0.57 ? 9 MNG B H7M1 1 +HETATM 637 H H7M2 . MNG D 2 . ? 6.518 3.972 7.680 1.00 0.56 ? 9 MNG B H7M2 1 +HETATM 638 H H7M3 . MNG D 2 . ? 6.975 3.333 6.116 1.00 0.52 ? 9 MNG B H7M3 1 +HETATM 639 H H9M1 . MNG D 2 . ? 2.309 7.757 9.000 1.00 0.47 ? 9 MNG B H9M1 1 +HETATM 640 H H9M2 . MNG D 2 . ? 3.024 7.344 7.470 1.00 0.45 ? 9 MNG B H9M2 1 +HETATM 641 H H9M3 . MNG D 2 . ? 4.046 7.613 8.878 1.00 0.54 ? 9 MNG B H9M3 1 +HETATM 642 H HO4 . MNG D 2 . ? 1.175 4.578 0.576 1.00 0.41 ? 9 MNG B HO4 1 +HETATM 643 H HO6 . MNG D 2 . ? 4.371 4.491 4.201 1.00 0.40 ? 9 MNG B HO6 1 +HETATM 644 H HO9 . MNG D 2 . ? 2.464 6.292 10.729 1.00 0.45 ? 9 MNG B HO9 1 +HETATM 645 H "HO2'" . MNG D 2 . ? -4.719 7.173 4.266 1.00 0.53 ? 9 MNG B "HO2'" 1 +HETATM 646 H "HO4'" . MNG D 2 . ? -4.238 7.396 -0.902 1.00 0.68 ? 9 MNG B "HO4'" 1 +ATOM 647 O "O5'" . DG A 1 1 ? -3.111 13.128 -4.939 1.00 1.80 ? 1 DG A "O5'" 2 +ATOM 648 C "C5'" . DG A 1 1 ? -2.116 13.760 -5.756 1.00 1.77 ? 1 DG A "C5'" 2 +ATOM 649 C "C4'" . DG A 1 1 ? -0.710 13.429 -5.256 1.00 1.46 ? 1 DG A "C4'" 2 +ATOM 650 O "O4'" . DG A 1 1 ? -0.507 13.988 -3.952 1.00 1.34 ? 1 DG A "O4'" 2 +ATOM 651 C "C3'" . DG A 1 1 ? -0.390 11.943 -5.220 1.00 1.28 ? 1 DG A "C3'" 2 +ATOM 652 O "O3'" . DG A 1 1 ? 0.969 11.766 -5.620 1.00 1.12 ? 1 DG A "O3'" 2 +ATOM 653 C "C2'" . DG A 1 1 ? -0.563 11.684 -3.727 1.00 1.17 ? 1 DG A "C2'" 2 +ATOM 654 C "C1'" . DG A 1 1 ? -0.031 12.960 -3.085 1.00 1.11 ? 1 DG A "C1'" 2 +ATOM 655 N N9 . DG A 1 1 ? -0.671 13.216 -1.785 1.00 1.08 ? 1 DG A N9 2 +ATOM 656 C C8 . DG A 1 1 ? -1.998 13.336 -1.502 1.00 1.22 ? 1 DG A C8 2 +ATOM 657 N N7 . DG A 1 1 ? -2.305 13.574 -0.265 1.00 1.18 ? 1 DG A N7 2 +ATOM 658 C C5 . DG A 1 1 ? -1.049 13.618 0.342 1.00 0.96 ? 1 DG A C5 2 +ATOM 659 C C6 . DG A 1 1 ? -0.695 13.844 1.699 1.00 0.80 ? 1 DG A C6 2 +ATOM 660 O O6 . DG A 1 1 ? -1.398 14.057 2.682 1.00 0.84 ? 1 DG A O6 2 +ATOM 661 N N1 . DG A 1 1 ? 0.662 13.805 1.875 1.00 0.65 ? 1 DG A N1 2 +ATOM 662 C C2 . DG A 1 1 ? 1.582 13.579 0.888 1.00 0.65 ? 1 DG A C2 2 +ATOM 663 N N2 . DG A 1 1 ? 2.843 13.573 1.253 1.00 0.59 ? 1 DG A N2 2 +ATOM 664 N N3 . DG A 1 1 ? 1.283 13.365 -0.384 1.00 0.77 ? 1 DG A N3 2 +ATOM 665 C C4 . DG A 1 1 ? -0.053 13.399 -0.583 1.00 0.91 ? 1 DG A C4 2 +ATOM 666 H "H5'" . DG A 1 1 ? -2.272 14.835 -5.667 1.00 1.93 ? 1 DG A "H5'" 2 +ATOM 667 H "H5''" . DG A 1 1 ? -2.230 13.460 -6.797 1.00 1.84 ? 1 DG A "H5''" 2 +ATOM 668 H "H4'" . DG A 1 1 ? 0.084 13.818 -5.893 1.00 1.51 ? 1 DG A "H4'" 2 +ATOM 669 H "H3'" . DG A 1 1 ? -1.020 11.418 -5.938 1.00 1.45 ? 1 DG A "H3'" 2 +ATOM 670 H "H2'" . DG A 1 1 ? -1.632 11.612 -3.528 1.00 1.33 ? 1 DG A "H2'" 2 +ATOM 671 H "H2''" . DG A 1 1 ? -0.032 10.832 -3.303 1.00 1.04 ? 1 DG A "H2''" 2 +ATOM 672 H "H1'" . DG A 1 1 ? 1.059 12.988 -3.072 1.00 1.01 ? 1 DG A "H1'" 2 +ATOM 673 H H8 . DG A 1 1 ? -2.753 13.241 -2.282 1.00 1.37 ? 1 DG A H8 2 +ATOM 674 H H1 . DG A 1 1 ? 0.952 13.966 2.827 1.00 0.56 ? 1 DG A H1 2 +ATOM 675 H H21 . DG A 1 1 ? 3.073 13.739 2.226 1.00 0.56 ? 1 DG A H21 2 +ATOM 676 H H22 . DG A 1 1 ? 3.552 13.405 0.558 1.00 0.64 ? 1 DG A H22 2 +ATOM 677 H "HO5'" . DG A 1 1 ? -2.873 13.337 -4.031 1.00 1.69 ? 1 DG A "HO5'" 2 +ATOM 678 P P . DA A 1 2 ? 1.549 10.349 -6.107 1.00 0.87 ? 2 DA A P 2 +ATOM 679 O OP1 . DA A 1 2 ? 1.926 10.460 -7.535 1.00 0.96 ? 2 DA A OP1 2 +ATOM 680 O OP2 . DA A 1 2 ? 0.630 9.276 -5.664 1.00 0.89 ? 2 DA A OP2 2 +ATOM 681 O "O5'" . DA A 1 2 ? 2.883 10.257 -5.215 1.00 0.70 ? 2 DA A "O5'" 2 +ATOM 682 C "C5'" . DA A 1 2 ? 4.065 11.033 -5.478 1.00 0.71 ? 2 DA A "C5'" 2 +ATOM 683 C "C4'" . DA A 1 2 ? 5.246 10.591 -4.609 1.00 0.58 ? 2 DA A "C4'" 2 +ATOM 684 O "O4'" . DA A 1 2 ? 5.093 10.837 -3.195 1.00 0.44 ? 2 DA A "O4'" 2 +ATOM 685 C "C3'" . DA A 1 2 ? 5.531 9.112 -4.752 1.00 0.54 ? 2 DA A "C3'" 2 +ATOM 686 O "O3'" . DA A 1 2 ? 6.938 8.862 -4.707 1.00 0.56 ? 2 DA A "O3'" 2 +ATOM 687 C "C2'" . DA A 1 2 ? 4.751 8.547 -3.587 1.00 0.41 ? 2 DA A "C2'" 2 +ATOM 688 C "C1'" . DA A 1 2 ? 4.771 9.606 -2.513 1.00 0.37 ? 2 DA A "C1'" 2 +ATOM 689 N N9 . DA A 1 2 ? 3.439 9.808 -1.887 1.00 0.38 ? 2 DA A N9 2 +ATOM 690 C C8 . DA A 1 2 ? 2.223 9.845 -2.497 1.00 0.49 ? 2 DA A C8 2 +ATOM 691 N N7 . DA A 1 2 ? 1.189 10.041 -1.745 1.00 0.52 ? 2 DA A N7 2 +ATOM 692 C C5 . DA A 1 2 ? 1.776 10.151 -0.488 1.00 0.42 ? 2 DA A C5 2 +ATOM 693 C C6 . DA A 1 2 ? 1.227 10.368 0.776 1.00 0.45 ? 2 DA A C6 2 +ATOM 694 N N6 . DA A 1 2 ? -0.080 10.509 0.961 1.00 0.54 ? 2 DA A N6 2 +ATOM 695 N N1 . DA A 1 2 ? 2.060 10.428 1.822 1.00 0.43 ? 2 DA A N1 2 +ATOM 696 C C2 . DA A 1 2 ? 3.366 10.278 1.620 1.00 0.38 ? 2 DA A C2 2 +ATOM 697 N N3 . DA A 1 2 ? 4.009 10.067 0.477 1.00 0.33 ? 2 DA A N3 2 +ATOM 698 C C4 . DA A 1 2 ? 3.140 10.012 -0.558 1.00 0.34 ? 2 DA A C4 2 +ATOM 699 H "H5'" . DA A 1 2 ? 3.883 12.090 -5.288 1.00 0.77 ? 2 DA A "H5'" 2 +ATOM 700 H "H5''" . DA A 1 2 ? 4.337 10.901 -6.525 1.00 0.82 ? 2 DA A "H5''" 2 +ATOM 701 H "H4'" . DA A 1 2 ? 6.127 11.127 -4.962 1.00 0.67 ? 2 DA A "H4'" 2 +ATOM 702 H "H3'" . DA A 1 2 ? 5.146 8.747 -5.704 1.00 0.63 ? 2 DA A "H3'" 2 +ATOM 703 H "H2'" . DA A 1 2 ? 3.756 8.265 -3.930 1.00 0.48 ? 2 DA A "H2'" 2 +ATOM 704 H "H2''" . DA A 1 2 ? 5.189 7.657 -3.134 1.00 0.35 ? 2 DA A "H2''" 2 +ATOM 705 H "H1'" . DA A 1 2 ? 5.547 9.211 -1.858 1.00 0.34 ? 2 DA A "H1'" 2 +ATOM 706 H H8 . DA A 1 2 ? 2.104 9.723 -3.573 1.00 0.59 ? 2 DA A H8 2 +ATOM 707 H H61 . DA A 1 2 ? -0.467 10.639 1.888 1.00 0.57 ? 2 DA A H61 2 +ATOM 708 H H62 . DA A 1 2 ? -0.697 10.485 0.161 1.00 0.61 ? 2 DA A H62 2 +ATOM 709 H H2 . DA A 1 2 ? 3.995 10.337 2.508 1.00 0.43 ? 2 DA A H2 2 +ATOM 710 P P . DC A 1 3 ? 7.547 7.379 -4.808 1.00 0.60 ? 3 DC A P 2 +ATOM 711 O OP1 . DC A 1 3 ? 9.023 7.487 -4.822 1.00 0.72 ? 3 DC A OP1 2 +ATOM 712 O OP2 . DC A 1 3 ? 6.845 6.635 -5.878 1.00 0.71 ? 3 DC A OP2 2 +ATOM 713 O "O5'" . DC A 1 3 ? 7.080 6.789 -3.391 1.00 0.51 ? 3 DC A "O5'" 2 +ATOM 714 C "C5'" . DC A 1 3 ? 7.592 7.346 -2.180 1.00 0.50 ? 3 DC A "C5'" 2 +ATOM 715 C "C4'" . DC A 1 3 ? 6.927 6.768 -0.954 1.00 0.46 ? 3 DC A "C4'" 2 +ATOM 716 O "O4'" . DC A 1 3 ? 5.667 7.327 -0.637 1.00 0.41 ? 3 DC A "O4'" 2 +ATOM 717 C "C3'" . DC A 1 3 ? 6.887 5.313 -0.754 1.00 0.51 ? 3 DC A "C3'" 2 +ATOM 718 O "O3'" . DC A 1 3 ? 8.099 4.862 -0.151 1.00 0.75 ? 3 DC A "O3'" 2 +ATOM 719 C "C2'" . DC A 1 3 ? 5.626 5.064 0.056 1.00 0.38 ? 3 DC A "C2'" 2 +ATOM 720 C "C1'" . DC A 1 3 ? 5.069 6.455 0.322 1.00 0.37 ? 3 DC A "C1'" 2 +ATOM 721 N N1 . DC A 1 3 ? 3.637 6.624 0.001 1.00 0.30 ? 3 DC A N1 2 +ATOM 722 C C2 . DC A 1 3 ? 2.808 7.123 0.978 1.00 0.24 ? 3 DC A C2 2 +ATOM 723 O O2 . DC A 1 3 ? 3.246 7.403 2.084 1.00 0.27 ? 3 DC A O2 2 +ATOM 724 N N3 . DC A 1 3 ? 1.497 7.311 0.698 1.00 0.21 ? 3 DC A N3 2 +ATOM 725 C C4 . DC A 1 3 ? 1.012 7.018 -0.509 1.00 0.26 ? 3 DC A C4 2 +ATOM 726 N N4 . DC A 1 3 ? -0.288 7.225 -0.701 1.00 0.30 ? 3 DC A N4 2 +ATOM 727 C C5 . DC A 1 3 ? 1.858 6.495 -1.550 1.00 0.33 ? 3 DC A C5 2 +ATOM 728 C C6 . DC A 1 3 ? 3.167 6.314 -1.243 1.00 0.33 ? 3 DC A C6 2 +ATOM 729 H "H5'" . DC A 1 3 ? 7.358 8.409 -2.106 1.00 0.44 ? 3 DC A "H5'" 2 +ATOM 730 H "H5''" . DC A 1 3 ? 8.671 7.200 -2.136 1.00 0.62 ? 3 DC A "H5''" 2 +ATOM 731 H "H4'" . DC A 1 3 ? 7.724 6.730 -0.211 1.00 0.50 ? 3 DC A "H4'" 2 +ATOM 732 H "H3'" . DC A 1 3 ? 6.835 5.153 -1.831 1.00 0.57 ? 3 DC A "H3'" 2 +ATOM 733 H "H2'" . DC A 1 3 ? 4.932 4.441 -0.506 1.00 0.38 ? 3 DC A "H2'" 2 +ATOM 734 H "H2''" . DC A 1 3 ? 5.834 4.559 1.000 1.00 0.40 ? 3 DC A "H2''" 2 +ATOM 735 H "H1'" . DC A 1 3 ? 5.381 6.732 1.329 1.00 0.38 ? 3 DC A "H1'" 2 +ATOM 736 H H41 . DC A 1 3 ? -0.857 7.506 0.086 1.00 0.28 ? 3 DC A H41 2 +ATOM 737 H H42 . DC A 1 3 ? -0.700 7.102 -1.614 1.00 0.43 ? 3 DC A H42 2 +ATOM 738 H H5 . DC A 1 3 ? 1.439 6.265 -2.530 1.00 0.39 ? 3 DC A H5 2 +ATOM 739 H H6 . DC A 1 3 ? 3.905 5.922 -1.942 1.00 0.42 ? 3 DC A H6 2 +ATOM 740 P P . DA A 1 4 ? 8.597 3.336 -0.274 1.00 0.86 ? 4 DA A P 2 +ATOM 741 O OP1 . DA A 1 4 ? 10.076 3.349 -0.356 1.00 1.18 ? 4 DA A OP1 2 +ATOM 742 O OP2 . DA A 1 4 ? 7.808 2.651 -1.325 1.00 0.96 ? 4 DA A OP2 2 +ATOM 743 O "O5'" . DA A 1 4 ? 8.171 2.724 1.145 1.00 0.59 ? 4 DA A "O5'" 2 +ATOM 744 C "C5'" . DA A 1 4 ? 8.883 3.068 2.344 1.00 0.55 ? 4 DA A "C5'" 2 +ATOM 745 C "C4'" . DA A 1 4 ? 8.177 2.516 3.567 1.00 0.37 ? 4 DA A "C4'" 2 +ATOM 746 O "O4'" . DA A 1 4 ? 6.858 3.076 3.669 1.00 0.32 ? 4 DA A "O4'" 2 +ATOM 747 C "C3'" . DA A 1 4 ? 8.066 1.007 3.423 1.00 0.30 ? 4 DA A "C3'" 2 +ATOM 748 O "O3'" . DA A 1 4 ? 9.128 0.311 4.081 1.00 0.28 ? 4 DA A "O3'" 2 +ATOM 749 C "C2'" . DA A 1 4 ? 6.763 0.765 4.169 1.00 0.26 ? 4 DA A "C2'" 2 +ATOM 750 C "C1'" . DA A 1 4 ? 5.952 2.032 4.044 1.00 0.28 ? 4 DA A "C1'" 2 +ATOM 751 N N9 . DA A 1 4 ? 4.836 1.860 3.108 1.00 0.28 ? 4 DA A N9 2 +ATOM 752 C C8 . DA A 1 4 ? 4.849 1.750 1.751 1.00 0.28 ? 4 DA A C8 2 +ATOM 753 N N7 . DA A 1 4 ? 3.678 1.584 1.190 1.00 0.32 ? 4 DA A N7 2 +ATOM 754 C C5 . DA A 1 4 ? 2.812 1.588 2.292 1.00 0.32 ? 4 DA A C5 2 +ATOM 755 C C6 . DA A 1 4 ? 1.414 1.458 2.425 1.00 0.36 ? 4 DA A C6 2 +ATOM 756 N N6 . DA A 1 4 ? 0.574 1.291 1.409 1.00 0.38 ? 4 DA A N6 2 +ATOM 757 N N1 . DA A 1 4 ? 0.902 1.510 3.666 1.00 0.37 ? 4 DA A N1 2 +ATOM 758 C C2 . DA A 1 4 ? 1.701 1.679 4.711 1.00 0.35 ? 4 DA A C2 2 +ATOM 759 N N3 . DA A 1 4 ? 3.017 1.811 4.714 1.00 0.33 ? 4 DA A N3 2 +ATOM 760 C C4 . DA A 1 4 ? 3.514 1.756 3.455 1.00 0.30 ? 4 DA A C4 2 +ATOM 761 H "H5'" . DA A 1 4 ? 8.972 4.150 2.427 1.00 0.64 ? 4 DA A "H5'" 2 +ATOM 762 H "H5''" . DA A 1 4 ? 9.871 2.610 2.326 1.00 0.66 ? 4 DA A "H5''" 2 +ATOM 763 H "H4'" . DA A 1 4 ? 8.767 2.723 4.459 1.00 0.43 ? 4 DA A "H4'" 2 +ATOM 764 H "H3'" . DA A 1 4 ? 8.072 0.807 2.351 1.00 0.35 ? 4 DA A "H3'" 2 +ATOM 765 H "H2'" . DA A 1 4 ? 6.130 -0.062 3.848 1.00 0.29 ? 4 DA A "H2'" 2 +ATOM 766 H "H2''" . DA A 1 4 ? 7.021 0.551 5.206 1.00 0.29 ? 4 DA A "H2''" 2 +ATOM 767 H "H1'" . DA A 1 4 ? 5.554 2.263 5.032 1.00 0.30 ? 4 DA A "H1'" 2 +ATOM 768 H H8 . DA A 1 4 ? 5.785 1.809 1.197 1.00 0.28 ? 4 DA A H8 2 +ATOM 769 H H61 . DA A 1 4 ? -0.411 1.144 1.601 1.00 0.37 ? 4 DA A H61 2 +ATOM 770 H H62 . DA A 1 4 ? 0.922 1.312 0.461 1.00 0.45 ? 4 DA A H62 2 +ATOM 771 H H2 . DA A 1 4 ? 1.212 1.728 5.685 1.00 0.40 ? 4 DA A H2 2 +ATOM 772 P P . DT A 1 5 ? 9.514 -1.202 3.668 1.00 0.27 ? 5 DT A P 2 +ATOM 773 O OP1 . DT A 1 5 ? 10.675 -1.126 2.751 1.00 0.36 ? 5 DT A OP1 2 +ATOM 774 O OP2 . DT A 1 5 ? 8.299 -1.927 3.234 1.00 0.27 ? 5 DT A OP2 2 +ATOM 775 O "O5'" . DT A 1 5 ? 10.044 -1.860 5.046 1.00 0.33 ? 5 DT A "O5'" 2 +ATOM 776 C "C5'" . DT A 1 5 ? 9.435 -1.715 6.342 1.00 0.33 ? 5 DT A "C5'" 2 +ATOM 777 C "C4'" . DT A 1 5 ? 8.063 -2.368 6.536 1.00 0.34 ? 5 DT A "C4'" 2 +ATOM 778 O "O4'" . DT A 1 5 ? 6.983 -1.768 5.781 1.00 0.28 ? 5 DT A "O4'" 2 +ATOM 779 C "C3'" . DT A 1 5 ? 8.039 -3.871 6.245 1.00 0.34 ? 5 DT A "C3'" 2 +ATOM 780 O "O3'" . DT A 1 5 ? 7.787 -4.647 7.422 1.00 0.39 ? 5 DT A "O3'" 2 +ATOM 781 C "C2'" . DT A 1 5 ? 6.875 -4.001 5.255 1.00 0.28 ? 5 DT A "C2'" 2 +ATOM 782 C "C1'" . DT A 1 5 ? 5.998 -2.792 5.573 1.00 0.26 ? 5 DT A "C1'" 2 +ATOM 783 N N1 . DT A 1 5 ? 5.060 -2.432 4.482 1.00 0.23 ? 5 DT A N1 2 +ATOM 784 C C2 . DT A 1 5 ? 3.711 -2.328 4.784 1.00 0.29 ? 5 DT A C2 2 +ATOM 785 O O2 . DT A 1 5 ? 3.238 -2.492 5.906 1.00 0.38 ? 5 DT A O2 2 +ATOM 786 N N3 . DT A 1 5 ? 2.884 -2.013 3.734 1.00 0.29 ? 5 DT A N3 2 +ATOM 787 C C4 . DT A 1 5 ? 3.261 -1.790 2.434 1.00 0.26 ? 5 DT A C4 2 +ATOM 788 O O4 . DT A 1 5 ? 2.387 -1.532 1.609 1.00 0.32 ? 5 DT A O4 2 +ATOM 789 C C5 . DT A 1 5 ? 4.685 -1.909 2.204 1.00 0.21 ? 5 DT A C5 2 +ATOM 790 C C7 . DT A 1 5 ? 5.279 -1.656 0.819 1.00 0.29 ? 5 DT A C7 2 +ATOM 791 C C6 . DT A 1 5 ? 5.514 -2.221 3.211 1.00 0.19 ? 5 DT A C6 2 +ATOM 792 H "H5'" . DT A 1 5 ? 9.352 -0.657 6.588 1.00 0.36 ? 5 DT A "H5'" 2 +ATOM 793 H "H5''" . DT A 1 5 ? 10.097 -2.200 7.059 1.00 0.41 ? 5 DT A "H5''" 2 +ATOM 794 H "H4'" . DT A 1 5 ? 7.897 -2.284 7.610 1.00 0.42 ? 5 DT A "H4'" 2 +ATOM 795 H "H3'" . DT A 1 5 ? 9.024 -4.138 5.861 1.00 0.37 ? 5 DT A "H3'" 2 +ATOM 796 H "H2'" . DT A 1 5 ? 7.249 -3.911 4.235 1.00 0.29 ? 5 DT A "H2'" 2 +ATOM 797 H "H2''" . DT A 1 5 ? 6.334 -4.942 5.349 1.00 0.34 ? 5 DT A "H2''" 2 +ATOM 798 H "H1'" . DT A 1 5 ? 5.430 -2.971 6.486 1.00 0.32 ? 5 DT A "H1'" 2 +ATOM 799 H H3 . DT A 1 5 ? 1.897 -1.939 3.926 1.00 0.34 ? 5 DT A H3 2 +ATOM 800 H H71 . DT A 1 5 ? 4.486 -1.550 0.078 1.00 0.42 ? 5 DT A H71 2 +ATOM 801 H H72 . DT A 1 5 ? 5.862 -0.735 0.860 1.00 0.32 ? 5 DT A H72 2 +ATOM 802 H H73 . DT A 1 5 ? 5.952 -2.468 0.544 1.00 0.29 ? 5 DT A H73 2 +ATOM 803 H H6 . DT A 1 5 ? 6.582 -2.305 3.013 1.00 0.21 ? 5 DT A H6 2 +ATOM 804 P P . DG A 1 6 ? 7.917 -6.256 7.393 1.00 0.37 ? 6 DG A P 2 +ATOM 805 O OP1 . DG A 1 6 ? 9.348 -6.593 7.222 1.00 0.46 ? 6 DG A OP1 2 +ATOM 806 O OP2 . DG A 1 6 ? 6.925 -6.796 6.441 1.00 0.37 ? 6 DG A OP2 2 +ATOM 807 O "O5'" . DG A 1 6 ? 7.494 -6.686 8.884 1.00 0.40 ? 6 DG A "O5'" 2 +ATOM 808 C "C5'" . DG A 1 6 ? 6.341 -6.194 9.591 1.00 0.39 ? 6 DG A "C5'" 2 +ATOM 809 C "C4'" . DG A 1 6 ? 5.033 -6.948 9.325 1.00 0.36 ? 6 DG A "C4'" 2 +ATOM 810 O "O4'" . DG A 1 6 ? 4.398 -6.732 8.040 1.00 0.33 ? 6 DG A "O4'" 2 +ATOM 811 C "C3'" . DG A 1 6 ? 5.152 -8.470 9.496 1.00 0.38 ? 6 DG A "C3'" 2 +ATOM 812 O "O3'" . DG A 1 6 ? 4.055 -9.066 10.213 1.00 0.45 ? 6 DG A "O3'" 2 +ATOM 813 C "C2'" . DG A 1 6 ? 5.060 -8.908 8.060 1.00 0.32 ? 6 DG A "C2'" 2 +ATOM 814 C "C1'" . DG A 1 6 ? 3.974 -8.014 7.524 1.00 0.30 ? 6 DG A "C1'" 2 +ATOM 815 N N9 . DG A 1 6 ? 3.868 -8.036 6.061 1.00 0.25 ? 6 DG A N9 2 +ATOM 816 C C8 . DG A 1 6 ? 4.826 -7.933 5.112 1.00 0.24 ? 6 DG A C8 2 +ATOM 817 N N7 . DG A 1 6 ? 4.419 -7.973 3.868 1.00 0.20 ? 6 DG A N7 2 +ATOM 818 C C5 . DG A 1 6 ? 3.032 -8.119 4.029 1.00 0.19 ? 6 DG A C5 2 +ATOM 819 C C6 . DG A 1 6 ? 1.982 -8.224 3.067 1.00 0.19 ? 6 DG A C6 2 +ATOM 820 O O6 . DG A 1 6 ? 2.008 -8.220 1.840 1.00 0.22 ? 6 DG A O6 2 +ATOM 821 N N1 . DG A 1 6 ? 0.757 -8.350 3.666 1.00 0.22 ? 6 DG A N1 2 +ATOM 822 C C2 . DG A 1 6 ? 0.544 -8.380 5.025 1.00 0.26 ? 6 DG A C2 2 +ATOM 823 N N2 . DG A 1 6 ? -0.684 -8.524 5.465 1.00 0.33 ? 6 DG A N2 2 +ATOM 824 N N3 . DG A 1 6 ? 1.495 -8.285 5.933 1.00 0.27 ? 6 DG A N3 2 +ATOM 825 C C4 . DG A 1 6 ? 2.709 -8.156 5.364 1.00 0.22 ? 6 DG A C4 2 +ATOM 826 H "H5'" . DG A 1 6 ? 6.187 -5.138 9.367 1.00 0.42 ? 6 DG A "H5'" 2 +ATOM 827 H "H5''" . DG A 1 6 ? 6.550 -6.290 10.657 1.00 0.48 ? 6 DG A "H5''" 2 +ATOM 828 H "H4'" . DG A 1 6 ? 4.409 -6.582 10.141 1.00 0.40 ? 6 DG A "H4'" 2 +ATOM 829 H "H3'" . DG A 1 6 ? 6.108 -8.742 9.941 1.00 0.44 ? 6 DG A "H3'" 2 +ATOM 830 H "H2'" . DG A 1 6 ? 5.996 -8.710 7.536 1.00 0.34 ? 6 DG A "H2'" 2 +ATOM 831 H "H2''" . DG A 1 6 ? 4.839 -9.968 7.938 1.00 0.35 ? 6 DG A "H2''" 2 +ATOM 832 H "H1'" . DG A 1 6 ? 3.008 -8.341 7.910 1.00 0.29 ? 6 DG A "H1'" 2 +ATOM 833 H H8 . DG A 1 6 ? 5.859 -7.812 5.441 1.00 0.26 ? 6 DG A H8 2 +ATOM 834 H H1 . DG A 1 6 ? -0.007 -8.389 3.002 1.00 0.25 ? 6 DG A H1 2 +ATOM 835 H H21 . DG A 1 6 ? -1.456 -8.493 4.810 1.00 0.34 ? 6 DG A H21 2 +ATOM 836 H H22 . DG A 1 6 ? -0.840 -8.666 6.451 1.00 0.44 ? 6 DG A H22 2 +ATOM 837 P P . DT A 1 7 ? 3.555 -8.606 11.673 1.00 0.44 ? 7 DT A P 2 +ATOM 838 O OP1 . DT A 1 7 ? 2.693 -7.405 11.509 1.00 0.50 ? 7 DT A OP1 2 +ATOM 839 O OP2 . DT A 1 7 ? 4.720 -8.565 12.583 1.00 0.57 ? 7 DT A OP2 2 +ATOM 840 O "O5'" . DT A 1 7 ? 2.627 -9.844 12.116 1.00 0.43 ? 7 DT A "O5'" 2 +ATOM 841 C "C5'" . DT A 1 7 ? 1.193 -9.799 12.117 1.00 0.41 ? 7 DT A "C5'" 2 +ATOM 842 C "C4'" . DT A 1 7 ? 0.557 -10.744 11.097 1.00 0.36 ? 7 DT A "C4'" 2 +ATOM 843 O "O4'" . DT A 1 7 ? 0.794 -10.413 9.706 1.00 0.35 ? 7 DT A "O4'" 2 +ATOM 844 C "C3'" . DT A 1 7 ? 1.011 -12.201 11.270 1.00 0.33 ? 7 DT A "C3'" 2 +ATOM 845 O "O3'" . DT A 1 7 ? -0.099 -13.062 11.444 1.00 0.34 ? 7 DT A "O3'" 2 +ATOM 846 C "C2'" . DT A 1 7 ? 1.507 -12.550 9.885 1.00 0.32 ? 7 DT A "C2'" 2 +ATOM 847 C "C1'" . DT A 1 7 ? 0.675 -11.653 8.996 1.00 0.30 ? 7 DT A "C1'" 2 +ATOM 848 N N1 . DT A 1 7 ? 1.131 -11.564 7.586 1.00 0.29 ? 7 DT A N1 2 +ATOM 849 C C2 . DT A 1 7 ? 0.133 -11.447 6.630 1.00 0.31 ? 7 DT A C2 2 +ATOM 850 O O2 . DT A 1 7 ? -1.065 -11.406 6.888 1.00 0.35 ? 7 DT A O2 2 +ATOM 851 N N3 . DT A 1 7 ? 0.543 -11.371 5.329 1.00 0.34 ? 7 DT A N3 2 +ATOM 852 C C4 . DT A 1 7 ? 1.837 -11.400 4.885 1.00 0.34 ? 7 DT A C4 2 +ATOM 853 O O4 . DT A 1 7 ? 2.049 -11.318 3.682 1.00 0.39 ? 7 DT A O4 2 +ATOM 854 C C5 . DT A 1 7 ? 2.827 -11.522 5.926 1.00 0.34 ? 7 DT A C5 2 +ATOM 855 C C7 . DT A 1 7 ? 4.308 -11.569 5.532 1.00 0.39 ? 7 DT A C7 2 +ATOM 856 C C6 . DT A 1 7 ? 2.458 -11.598 7.220 1.00 0.30 ? 7 DT A C6 2 +ATOM 857 H "H5'" . DT A 1 7 ? 0.839 -8.788 11.921 1.00 0.44 ? 7 DT A "H5'" 2 +ATOM 858 H "H5''" . DT A 1 7 ? 0.861 -10.096 13.112 1.00 0.45 ? 7 DT A "H5''" 2 +ATOM 859 H "H4'" . DT A 1 7 ? -0.515 -10.720 11.286 1.00 0.39 ? 7 DT A "H4'" 2 +ATOM 860 H "H3'" . DT A 1 7 ? 1.745 -12.295 12.070 1.00 0.41 ? 7 DT A "H3'" 2 +ATOM 861 H "H2'" . DT A 1 7 ? 2.572 -12.347 9.772 1.00 0.43 ? 7 DT A "H2'" 2 +ATOM 862 H "H2''" . DT A 1 7 ? 1.296 -13.594 9.653 1.00 0.36 ? 7 DT A "H2''" 2 +ATOM 863 H "H1'" . DT A 1 7 ? -0.349 -12.028 9.003 1.00 0.33 ? 7 DT A "H1'" 2 +ATOM 864 H H3 . DT A 1 7 ? -0.185 -11.282 4.635 1.00 0.36 ? 7 DT A H3 2 +ATOM 865 H H71 . DT A 1 7 ? 4.761 -12.489 5.904 1.00 0.38 ? 7 DT A H71 2 +ATOM 866 H H72 . DT A 1 7 ? 4.394 -11.546 4.445 1.00 0.42 ? 7 DT A H72 2 +ATOM 867 H H73 . DT A 1 7 ? 4.830 -10.705 5.942 1.00 0.46 ? 7 DT A H73 2 +ATOM 868 H H6 . DT A 1 7 ? 3.242 -11.684 7.972 1.00 0.33 ? 7 DT A H6 2 +ATOM 869 P P . DC A 1 8 ? -0.634 -13.504 12.883 1.00 0.74 ? 8 DC A P 2 +ATOM 870 O OP1 . DC A 1 8 ? -1.352 -12.356 13.483 1.00 1.15 ? 8 DC A OP1 2 +ATOM 871 O OP2 . DC A 1 8 ? 0.488 -14.147 13.606 1.00 1.20 ? 8 DC A OP2 2 +ATOM 872 O "O5'" . DC A 1 8 ? -1.708 -14.641 12.503 1.00 0.66 ? 8 DC A "O5'" 2 +ATOM 873 C "C5'" . DC A 1 8 ? -2.963 -14.370 11.864 1.00 0.50 ? 8 DC A "C5'" 2 +ATOM 874 C "C4'" . DC A 1 8 ? -3.017 -14.907 10.434 1.00 0.28 ? 8 DC A "C4'" 2 +ATOM 875 O "O4'" . DC A 1 8 ? -2.056 -14.312 9.547 1.00 0.27 ? 8 DC A "O4'" 2 +ATOM 876 C "C3'" . DC A 1 8 ? -2.673 -16.388 10.389 1.00 0.27 ? 8 DC A "C3'" 2 +ATOM 877 O "O3'" . DC A 1 8 ? -3.737 -17.257 10.791 1.00 0.34 ? 8 DC A "O3'" 2 +ATOM 878 C "C2'" . DC A 1 8 ? -2.282 -16.569 8.922 1.00 0.30 ? 8 DC A "C2'" 2 +ATOM 879 C "C1'" . DC A 1 8 ? -1.979 -15.180 8.400 1.00 0.31 ? 8 DC A "C1'" 2 +ATOM 880 N N1 . DC A 1 8 ? -0.683 -15.099 7.700 1.00 0.35 ? 8 DC A N1 2 +ATOM 881 C C2 . DC A 1 8 ? -0.667 -14.635 6.392 1.00 0.40 ? 8 DC A C2 2 +ATOM 882 O O2 . DC A 1 8 ? -1.689 -14.299 5.801 1.00 0.42 ? 8 DC A O2 2 +ATOM 883 N N3 . DC A 1 8 ? 0.520 -14.566 5.747 1.00 0.46 ? 8 DC A N3 2 +ATOM 884 C C4 . DC A 1 8 ? 1.649 -14.937 6.351 1.00 0.48 ? 8 DC A C4 2 +ATOM 885 N N4 . DC A 1 8 ? 2.774 -14.843 5.659 1.00 0.57 ? 8 DC A N4 2 +ATOM 886 C C5 . DC A 1 8 ? 1.655 -15.419 7.698 1.00 0.43 ? 8 DC A C5 2 +ATOM 887 C C6 . DC A 1 8 ? 0.465 -15.480 8.329 1.00 0.36 ? 8 DC A C6 2 +ATOM 888 H "H5'" . DC A 1 8 ? -3.170 -13.300 11.829 1.00 0.60 ? 8 DC A "H5'" 2 +ATOM 889 H "H5''" . DC A 1 8 ? -3.744 -14.863 12.443 1.00 0.63 ? 8 DC A "H5''" 2 +ATOM 890 H "H4'" . DC A 1 8 ? -4.041 -14.759 10.092 1.00 0.37 ? 8 DC A "H4'" 2 +ATOM 891 H "H3'" . DC A 1 8 ? -1.823 -16.550 11.052 1.00 0.38 ? 8 DC A "H3'" 2 +ATOM 892 H "HO3'" . DC A 1 8 ? -3.951 -17.024 11.700 1.00 0.43 ? 8 DC A "HO3'" 2 +ATOM 893 H "H2'" . DC A 1 8 ? -1.397 -17.196 8.816 1.00 0.34 ? 8 DC A "H2'" 2 +ATOM 894 H "H2''" . DC A 1 8 ? -3.099 -16.920 8.291 1.00 0.35 ? 8 DC A "H2''" 2 +ATOM 895 H "H1'" . DC A 1 8 ? -2.780 -15.017 7.679 1.00 0.38 ? 8 DC A "H1'" 2 +ATOM 896 H H41 . DC A 1 8 ? 2.721 -14.558 4.687 1.00 0.63 ? 8 DC A H41 2 +ATOM 897 H H42 . DC A 1 8 ? 3.664 -15.050 6.087 1.00 0.59 ? 8 DC A H42 2 +ATOM 898 H H5 . DC A 1 8 ? 2.570 -15.728 8.202 1.00 0.48 ? 8 DC A H5 2 +ATOM 899 H H6 . DC A 1 8 ? 0.405 -15.835 9.357 1.00 0.34 ? 8 DC A H6 2 +ATOM 900 O "O5'" . DG B 1 1 ? 1.039 -13.959 -4.810 1.00 1.00 ? 1 DG B "O5'" 2 +ATOM 901 C "C5'" . DG B 1 1 ? -0.163 -14.650 -5.172 1.00 1.00 ? 1 DG B "C5'" 2 +ATOM 902 C "C4'" . DG B 1 1 ? -1.303 -14.299 -4.217 1.00 0.83 ? 1 DG B "C4'" 2 +ATOM 903 O "O4'" . DG B 1 1 ? -1.003 -14.776 -2.899 1.00 0.81 ? 1 DG B "O4'" 2 +ATOM 904 C "C3'" . DG B 1 1 ? -1.634 -12.816 -4.151 1.00 0.71 ? 1 DG B "C3'" 2 +ATOM 905 O "O3'" . DG B 1 1 ? -3.050 -12.677 -4.031 1.00 0.66 ? 1 DG B "O3'" 2 +ATOM 906 C "C2'" . DG B 1 1 ? -0.943 -12.462 -2.838 1.00 0.66 ? 1 DG B "C2'" 2 +ATOM 907 C "C1'" . DG B 1 1 ? -1.168 -13.699 -1.977 1.00 0.69 ? 1 DG B "C1'" 2 +ATOM 908 N N9 . DG B 1 1 ? -0.093 -13.867 -0.986 1.00 0.70 ? 1 DG B N9 2 +ATOM 909 C C8 . DG B 1 1 ? 1.248 -13.956 -1.195 1.00 0.75 ? 1 DG B C8 2 +ATOM 910 N N7 . DG B 1 1 ? 1.988 -14.111 -0.141 1.00 0.78 ? 1 DG B N7 2 +ATOM 911 C C5 . DG B 1 1 ? 1.037 -14.127 0.880 1.00 0.71 ? 1 DG B C5 2 +ATOM 912 C C6 . DG B 1 1 ? 1.205 -14.269 2.286 1.00 0.69 ? 1 DG B C6 2 +ATOM 913 O O6 . DG B 1 1 ? 2.221 -14.410 2.961 1.00 0.73 ? 1 DG B O6 2 +ATOM 914 N N1 . DG B 1 1 ? 0.002 -14.232 2.938 1.00 0.63 ? 1 DG B N1 2 +ATOM 915 C C2 . DG B 1 1 ? -1.218 -14.078 2.339 1.00 0.59 ? 1 DG B C2 2 +ATOM 916 N N2 . DG B 1 1 ? -2.261 -14.060 3.137 1.00 0.54 ? 1 DG B N2 2 +ATOM 917 N N3 . DG B 1 1 ? -1.405 -13.945 1.036 1.00 0.61 ? 1 DG B N3 2 +ATOM 918 C C4 . DG B 1 1 ? -0.232 -13.979 0.366 1.00 0.67 ? 1 DG B C4 2 +ATOM 919 H "H5'" . DG B 1 1 ? 0.049 -15.715 -5.085 1.00 1.17 ? 1 DG B "H5'" 2 +ATOM 920 H "H5''" . DG B 1 1 ? -0.442 -14.415 -6.200 1.00 1.04 ? 1 DG B "H5''" 2 +ATOM 921 H "H4'" . DG B 1 1 ? -2.261 -14.736 -4.500 1.00 0.87 ? 1 DG B "H4'" 2 +ATOM 922 H "H3'" . DG B 1 1 ? -1.324 -12.333 -5.077 1.00 0.71 ? 1 DG B "H3'" 2 +ATOM 923 H "H2'" . DG B 1 1 ? 0.123 -12.367 -3.047 1.00 0.73 ? 1 DG B "H2'" 2 +ATOM 924 H "H2''" . DG B 1 1 ? -1.317 -11.589 -2.303 1.00 0.65 ? 1 DG B "H2''" 2 +ATOM 925 H "H1'" . DG B 1 1 ? -2.179 -13.737 -1.571 1.00 0.65 ? 1 DG B "H1'" 2 +ATOM 926 H H8 . DG B 1 1 ? 1.667 -13.905 -2.199 1.00 0.79 ? 1 DG B H8 2 +ATOM 927 H H1 . DG B 1 1 ? 0.080 -14.333 3.937 1.00 0.61 ? 1 DG B H1 2 +ATOM 928 H H21 . DG B 1 1 ? -2.120 -14.163 4.135 1.00 0.53 ? 1 DG B H21 2 +ATOM 929 H H22 . DG B 1 1 ? -3.178 -13.940 2.735 1.00 0.56 ? 1 DG B H22 2 +ATOM 930 H "HO5'" . DG B 1 1 ? 1.152 -14.111 -3.867 1.00 0.98 ? 1 DG B "HO5'" 2 +ATOM 931 P P . DA B 1 2 ? -3.816 -11.285 -4.280 1.00 0.51 ? 2 DA B P 2 +ATOM 932 O OP1 . DA B 1 2 ? -4.672 -11.453 -5.474 1.00 0.75 ? 2 DA B OP1 2 +ATOM 933 O OP2 . DA B 1 2 ? -2.836 -10.175 -4.220 1.00 0.55 ? 2 DA B OP2 2 +ATOM 934 O "O5'" . DA B 1 2 ? -4.746 -11.191 -2.970 1.00 0.44 ? 2 DA B "O5'" 2 +ATOM 935 C "C5'" . DA B 1 2 ? -5.918 -12.000 -2.773 1.00 0.49 ? 2 DA B "C5'" 2 +ATOM 936 C "C4'" . DA B 1 2 ? -6.731 -11.551 -1.555 1.00 0.38 ? 2 DA B "C4'" 2 +ATOM 937 O "O4'" . DA B 1 2 ? -6.080 -11.734 -0.280 1.00 0.34 ? 2 DA B "O4'" 2 +ATOM 938 C "C3'" . DA B 1 2 ? -7.103 -10.086 -1.633 1.00 0.33 ? 2 DA B "C3'" 2 +ATOM 939 O "O3'" . DA B 1 2 ? -8.410 -9.859 -1.100 1.00 0.38 ? 2 DA B "O3'" 2 +ATOM 940 C "C2'" . DA B 1 2 ? -5.984 -9.455 -0.838 1.00 0.27 ? 2 DA B "C2'" 2 +ATOM 941 C "C1'" . DA B 1 2 ? -5.585 -10.467 0.206 1.00 0.28 ? 2 DA B "C1'" 2 +ATOM 942 N N9 . DA B 1 2 ? -4.113 -10.611 0.324 1.00 0.31 ? 2 DA B N9 2 +ATOM 943 C C8 . DA B 1 2 ? -3.189 -10.645 -0.677 1.00 0.35 ? 2 DA B C8 2 +ATOM 944 N N7 . DA B 1 2 ? -1.950 -10.783 -0.332 1.00 0.38 ? 2 DA B N7 2 +ATOM 945 C C5 . DA B 1 2 ? -2.048 -10.852 1.053 1.00 0.36 ? 2 DA B C5 2 +ATOM 946 C C6 . DA B 1 2 ? -1.080 -11.001 2.047 1.00 0.40 ? 2 DA B C6 2 +ATOM 947 N N6 . DA B 1 2 ? 0.211 -11.102 1.762 1.00 0.42 ? 2 DA B N6 2 +ATOM 948 N N1 . DA B 1 2 ? -1.488 -11.034 3.321 1.00 0.44 ? 2 DA B N1 2 +ATOM 949 C C2 . DA B 1 2 ? -2.787 -10.925 3.592 1.00 0.43 ? 2 DA B C2 2 +ATOM 950 N N3 . DA B 1 2 ? -3.798 -10.779 2.743 1.00 0.38 ? 2 DA B N3 2 +ATOM 951 C C4 . DA B 1 2 ? -3.355 -10.750 1.468 1.00 0.34 ? 2 DA B C4 2 +ATOM 952 H "H5'" . DA B 1 2 ? -5.641 -13.044 -2.626 1.00 0.54 ? 2 DA B "H5'" 2 +ATOM 953 H "H5''" . DA B 1 2 ? -6.548 -11.919 -3.659 1.00 0.57 ? 2 DA B "H5''" 2 +ATOM 954 H "H4'" . DA B 1 2 ? -7.660 -12.120 -1.556 1.00 0.48 ? 2 DA B "H4'" 2 +ATOM 955 H "H3'" . DA B 1 2 ? -7.093 -9.755 -2.672 1.00 0.41 ? 2 DA B "H3'" 2 +ATOM 956 H "H2'" . DA B 1 2 ? -5.187 -9.166 -1.523 1.00 0.30 ? 2 DA B "H2'" 2 +ATOM 957 H "H2''" . DA B 1 2 ? -6.267 -8.556 -0.291 1.00 0.27 ? 2 DA B "H2''" 2 +ATOM 958 H "H1'" . DA B 1 2 ? -6.096 -10.061 1.079 1.00 0.28 ? 2 DA B "H1'" 2 +ATOM 959 H H8 . DA B 1 2 ? -3.459 -10.570 -1.730 1.00 0.39 ? 2 DA B H8 2 +ATOM 960 H H61 . DA B 1 2 ? 0.903 -11.182 2.495 1.00 0.46 ? 2 DA B H61 2 +ATOM 961 H H62 . DA B 1 2 ? 0.503 -11.100 0.796 1.00 0.44 ? 2 DA B H62 2 +ATOM 962 H H2 . DA B 1 2 ? -3.058 -10.961 4.646 1.00 0.50 ? 2 DA B H2 2 +ATOM 963 P P . DC B 1 3 ? -9.036 -8.377 -1.062 1.00 0.53 ? 3 DC B P 2 +ATOM 964 O OP1 . DC B 1 3 ? -10.419 -8.472 -0.545 1.00 0.68 ? 3 DC B OP1 2 +ATOM 965 O OP2 . DC B 1 3 ? -8.768 -7.710 -2.357 1.00 0.68 ? 3 DC B OP2 2 +ATOM 966 O "O5'" . DC B 1 3 ? -8.106 -7.696 0.057 1.00 0.46 ? 3 DC B "O5'" 2 +ATOM 967 C "C5'" . DC B 1 3 ? -8.150 -8.164 1.406 1.00 0.46 ? 3 DC B "C5'" 2 +ATOM 968 C "C4'" . DC B 1 3 ? -7.103 -7.511 2.275 1.00 0.48 ? 3 DC B "C4'" 2 +ATOM 969 O "O4'" . DC B 1 3 ? -5.804 -8.058 2.166 1.00 0.43 ? 3 DC B "O4'" 2 +ATOM 970 C "C3'" . DC B 1 3 ? -7.014 -6.047 2.350 1.00 0.60 ? 3 DC B "C3'" 2 +ATOM 971 O "O3'" . DC B 1 3 ? -7.944 -5.540 3.307 1.00 0.84 ? 3 DC B "O3'" 2 +ATOM 972 C "C2'" . DC B 1 3 ? -5.555 -5.753 2.643 1.00 0.49 ? 3 DC B "C2'" 2 +ATOM 973 C "C1'" . DC B 1 3 ? -4.920 -7.130 2.788 1.00 0.44 ? 3 DC B "C1'" 2 +ATOM 974 N N1 . DC B 1 3 ? -3.690 -7.336 1.996 1.00 0.36 ? 3 DC B N1 2 +ATOM 975 C C2 . DC B 1 3 ? -2.563 -7.775 2.648 1.00 0.37 ? 3 DC B C2 2 +ATOM 976 O O2 . DC B 1 3 ? -2.581 -7.972 3.855 1.00 0.41 ? 3 DC B O2 2 +ATOM 977 N N3 . DC B 1 3 ? -1.432 -7.992 1.936 1.00 0.36 ? 3 DC B N3 2 +ATOM 978 C C4 . DC B 1 3 ? -1.407 -7.784 0.621 1.00 0.32 ? 3 DC B C4 2 +ATOM 979 N N4 . DC B 1 3 ? -0.257 -8.019 -0.003 1.00 0.35 ? 3 DC B N4 2 +ATOM 980 C C5 . DC B 1 3 ? -2.572 -7.324 -0.087 1.00 0.32 ? 3 DC B C5 2 +ATOM 981 C C6 . DC B 1 3 ? -3.692 -7.114 0.648 1.00 0.34 ? 3 DC B C6 2 +ATOM 982 H "H5'" . DC B 1 3 ? -7.885 -9.220 1.465 1.00 0.42 ? 3 DC B "H5'" 2 +ATOM 983 H "H5''" . DC B 1 3 ? -9.146 -8.003 1.820 1.00 0.60 ? 3 DC B "H5''" 2 +ATOM 984 H "H4'" . DC B 1 3 ? -7.588 -7.413 3.246 1.00 0.56 ? 3 DC B "H4'" 2 +ATOM 985 H "H3'" . DC B 1 3 ? -7.350 -5.960 1.316 1.00 0.61 ? 3 DC B "H3'" 2 +ATOM 986 H "H2'" . DC B 1 3 ? -5.115 -5.178 1.828 1.00 0.47 ? 3 DC B "H2'" 2 +ATOM 987 H "H2''" . DC B 1 3 ? -5.420 -5.185 3.563 1.00 0.54 ? 3 DC B "H2''" 2 +ATOM 988 H "H1'" . DC B 1 3 ? -4.851 -7.333 3.857 1.00 0.49 ? 3 DC B "H1'" 2 +ATOM 989 H H41 . DC B 1 3 ? 0.559 -8.253 0.547 1.00 0.37 ? 3 DC B H41 2 +ATOM 990 H H42 . DC B 1 3 ? -0.195 -7.966 -1.009 1.00 0.42 ? 3 DC B H42 2 +ATOM 991 H H5 . DC B 1 3 ? -2.531 -7.167 -1.164 1.00 0.34 ? 3 DC B H5 2 +ATOM 992 H H6 . DC B 1 3 ? -4.637 -6.763 0.229 1.00 0.40 ? 3 DC B H6 2 +ATOM 993 P P . DA B 1 4 ? -8.486 -4.027 3.223 1.00 1.03 ? 4 DA B P 2 +ATOM 994 O OP1 . DA B 1 4 ? -9.897 -4.020 3.674 1.00 1.40 ? 4 DA B OP1 2 +ATOM 995 O OP2 . DA B 1 4 ? -8.134 -3.464 1.900 1.00 1.11 ? 4 DA B OP2 2 +ATOM 996 O "O5'" . DA B 1 4 ? -7.593 -3.293 4.332 1.00 0.78 ? 4 DA B "O5'" 2 +ATOM 997 C "C5'" . DA B 1 4 ? -7.826 -3.506 5.734 1.00 0.75 ? 4 DA B "C5'" 2 +ATOM 998 C "C4'" . DA B 1 4 ? -6.740 -2.853 6.565 1.00 0.53 ? 4 DA B "C4'" 2 +ATOM 999 O "O4'" . DA B 1 4 ? -5.462 -3.432 6.246 1.00 0.46 ? 4 DA B "O4'" 2 +ATOM 1000 C "C3'" . DA B 1 4 ? -6.707 -1.370 6.246 1.00 0.46 ? 4 DA B "C3'" 2 +ATOM 1001 O "O3'" . DA B 1 4 ? -7.476 -0.586 7.165 1.00 0.46 ? 4 DA B "O3'" 2 +ATOM 1002 C "C2'" . DA B 1 4 ? -5.226 -1.085 6.453 1.00 0.37 ? 4 DA B "C2'" 2 +ATOM 1003 C "C1'" . DA B 1 4 ? -4.495 -2.380 6.174 1.00 0.39 ? 4 DA B "C1'" 2 +ATOM 1004 N N9 . DA B 1 4 ? -3.788 -2.322 4.889 1.00 0.40 ? 4 DA B N9 2 +ATOM 1005 C C8 . DA B 1 4 ? -4.284 -2.341 3.621 1.00 0.41 ? 4 DA B C8 2 +ATOM 1006 N N7 . DA B 1 4 ? -3.393 -2.256 2.669 1.00 0.41 ? 4 DA B N7 2 +ATOM 1007 C C5 . DA B 1 4 ? -2.190 -2.176 3.385 1.00 0.39 ? 4 DA B C5 2 +ATOM 1008 C C6 . DA B 1 4 ? -0.839 -2.065 3.000 1.00 0.37 ? 4 DA B C6 2 +ATOM 1009 N N6 . DA B 1 4 ? -0.415 -2.015 1.740 1.00 0.36 ? 4 DA B N6 2 +ATOM 1010 N N1 . DA B 1 4 ? 0.084 -2.010 3.976 1.00 0.39 ? 4 DA B N1 2 +ATOM 1011 C C2 . DA B 1 4 ? -0.290 -2.060 5.250 1.00 0.39 ? 4 DA B C2 2 +ATOM 1012 N N3 . DA B 1 4 ? -1.518 -2.162 5.731 1.00 0.40 ? 4 DA B N3 2 +ATOM 1013 C C4 . DA B 1 4 ? -2.431 -2.215 4.733 1.00 0.40 ? 4 DA B C4 2 +ATOM 1014 H "H5'" . DA B 1 4 ? -7.866 -4.575 5.947 1.00 0.82 ? 4 DA B "H5'" 2 +ATOM 1015 H "H5''" . DA B 1 4 ? -8.762 -3.029 6.022 1.00 0.87 ? 4 DA B "H5''" 2 +ATOM 1016 H "H4'" . DA B 1 4 ? -6.971 -2.962 7.625 1.00 0.59 ? 4 DA B "H4'" 2 +ATOM 1017 H "H3'" . DA B 1 4 ? -7.096 -1.274 5.232 1.00 0.52 ? 4 DA B "H3'" 2 +ATOM 1018 H "H2'" . DA B 1 4 ? -4.761 -0.306 5.850 1.00 0.36 ? 4 DA B "H2'" 2 +ATOM 1019 H "H2''" . DA B 1 4 ? -5.102 -0.767 7.489 1.00 0.37 ? 4 DA B "H2''" 2 +ATOM 1020 H "H1'" . DA B 1 4 ? -3.771 -2.526 6.974 1.00 0.41 ? 4 DA B "H1'" 2 +ATOM 1021 H H8 . DA B 1 4 ? -5.356 -2.429 3.445 1.00 0.43 ? 4 DA B H8 2 +ATOM 1022 H H61 . DA B 1 4 ? 0.570 -1.872 1.555 1.00 0.33 ? 4 DA B H61 2 +ATOM 1023 H H62 . DA B 1 4 ? -1.077 -2.120 0.986 1.00 0.40 ? 4 DA B H62 2 +ATOM 1024 H H2 . DA B 1 4 ? 0.513 -2.027 5.985 1.00 0.42 ? 4 DA B H2 2 +ATOM 1025 P P . DT B 1 5 ? -8.003 0.898 6.779 1.00 0.39 ? 5 DT B P 2 +ATOM 1026 O OP1 . DT B 1 5 ? -9.409 0.764 6.335 1.00 0.50 ? 5 DT B OP1 2 +ATOM 1027 O OP2 . DT B 1 5 ? -7.027 1.560 5.884 1.00 0.40 ? 5 DT B OP2 2 +ATOM 1028 O "O5'" . DT B 1 5 ? -8.028 1.690 8.186 1.00 0.32 ? 5 DT B "O5'" 2 +ATOM 1029 C "C5'" . DT B 1 5 ? -7.006 1.651 9.198 1.00 0.30 ? 5 DT B "C5'" 2 +ATOM 1030 C "C4'" . DT B 1 5 ? -5.661 2.294 8.843 1.00 0.30 ? 5 DT B "C4'" 2 +ATOM 1031 O "O4'" . DT B 1 5 ? -4.906 1.606 7.816 1.00 0.32 ? 5 DT B "O4'" 2 +ATOM 1032 C "C3'" . DT B 1 5 ? -5.759 3.765 8.426 1.00 0.30 ? 5 DT B "C3'" 2 +ATOM 1033 O "O3'" . DT B 1 5 ? -5.124 4.638 9.367 1.00 0.28 ? 5 DT B "O3'" 2 +ATOM 1034 C "C2'" . DT B 1 5 ? -5.016 3.782 7.086 1.00 0.30 ? 5 DT B "C2'" 2 +ATOM 1035 C "C1'" . DT B 1 5 ? -4.067 2.587 7.185 1.00 0.30 ? 5 DT B "C1'" 2 +ATOM 1036 N N1 . DT B 1 5 ? -3.561 2.113 5.876 1.00 0.32 ? 5 DT B N1 2 +ATOM 1037 C C2 . DT B 1 5 ? -2.191 2.010 5.696 1.00 0.33 ? 5 DT B C2 2 +ATOM 1038 O O2 . DT B 1 5 ? -1.360 2.264 6.563 1.00 0.35 ? 5 DT B O2 2 +ATOM 1039 N N3 . DT B 1 5 ? -1.780 1.586 4.457 1.00 0.35 ? 5 DT B N3 2 +ATOM 1040 C C4 . DT B 1 5 ? -2.582 1.254 3.396 1.00 0.37 ? 5 DT B C4 2 +ATOM 1041 O O4 . DT B 1 5 ? -2.049 0.906 2.346 1.00 0.41 ? 5 DT B O4 2 +ATOM 1042 C C5 . DT B 1 5 ? -3.998 1.379 3.666 1.00 0.38 ? 5 DT B C5 2 +ATOM 1043 C C7 . DT B 1 5 ? -5.036 1.015 2.604 1.00 0.47 ? 5 DT B C7 2 +ATOM 1044 C C6 . DT B 1 5 ? -4.428 1.797 4.868 1.00 0.34 ? 5 DT B C6 2 +ATOM 1045 H "H5'" . DT B 1 5 ? -6.829 0.618 9.496 1.00 0.29 ? 5 DT B "H5'" 2 +ATOM 1046 H "H5''" . DT B 1 5 ? -7.383 2.212 10.053 1.00 0.38 ? 5 DT B "H5''" 2 +ATOM 1047 H "H4'" . DT B 1 5 ? -5.130 2.302 9.795 1.00 0.29 ? 5 DT B "H4'" 2 +ATOM 1048 H "H3'" . DT B 1 5 ? -6.820 4.014 8.386 1.00 0.33 ? 5 DT B "H3'" 2 +ATOM 1049 H "H2'" . DT B 1 5 ? -5.720 3.608 6.272 1.00 0.35 ? 5 DT B "H2'" 2 +ATOM 1050 H "H2''" . DT B 1 5 ? -4.487 4.717 6.898 1.00 0.34 ? 5 DT B "H2''" 2 +ATOM 1051 H "H1'" . DT B 1 5 ? -3.219 2.836 7.825 1.00 0.31 ? 5 DT B "H1'" 2 +ATOM 1052 H H3 . DT B 1 5 ? -0.788 1.509 4.297 1.00 0.38 ? 5 DT B H3 2 +ATOM 1053 H H71 . DT B 1 5 ? -4.548 0.829 1.647 1.00 0.55 ? 5 DT B H71 2 +ATOM 1054 H H72 . DT B 1 5 ? -5.556 0.114 2.928 1.00 0.49 ? 5 DT B H72 2 +ATOM 1055 H H73 . DT B 1 5 ? -5.771 1.814 2.506 1.00 0.49 ? 5 DT B H73 2 +ATOM 1056 H H6 . DT B 1 5 ? -5.501 1.883 5.046 1.00 0.35 ? 5 DT B H6 2 +ATOM 1057 P P . DG B 1 6 ? -5.267 6.246 9.252 1.00 0.28 ? 6 DG B P 2 +ATOM 1058 O OP1 . DG B 1 6 ? -6.667 6.607 9.566 1.00 0.34 ? 6 DG B OP1 2 +ATOM 1059 O OP2 . DG B 1 6 ? -4.672 6.687 7.974 1.00 0.37 ? 6 DG B OP2 2 +ATOM 1060 O "O5'" . DG B 1 6 ? -4.349 6.775 10.464 1.00 0.27 ? 6 DG B "O5'" 2 +ATOM 1061 C "C5'" . DG B 1 6 ? -3.023 6.303 10.760 1.00 0.24 ? 6 DG B "C5'" 2 +ATOM 1062 C "C4'" . DG B 1 6 ? -1.891 6.999 9.994 1.00 0.23 ? 6 DG B "C4'" 2 +ATOM 1063 O "O4'" . DG B 1 6 ? -1.745 6.672 8.589 1.00 0.27 ? 6 DG B "O4'" 2 +ATOM 1064 C "C3'" . DG B 1 6 ? -1.939 8.533 10.076 1.00 0.26 ? 6 DG B "C3'" 2 +ATOM 1065 O "O3'" . DG B 1 6 ? -0.661 9.144 10.325 1.00 0.33 ? 6 DG B "O3'" 2 +ATOM 1066 C "C2'" . DG B 1 6 ? -2.354 8.861 8.668 1.00 0.26 ? 6 DG B "C2'" 2 +ATOM 1067 C "C1'" . DG B 1 6 ? -1.527 7.899 7.861 1.00 0.27 ? 6 DG B "C1'" 2 +ATOM 1068 N N9 . DG B 1 6 ? -1.941 7.812 6.456 1.00 0.27 ? 6 DG B N9 2 +ATOM 1069 C C8 . DG B 1 6 ? -3.172 7.665 5.912 1.00 0.29 ? 6 DG B C8 2 +ATOM 1070 N N7 . DG B 1 6 ? -3.225 7.602 4.604 1.00 0.29 ? 6 DG B N7 2 +ATOM 1071 C C5 . DG B 1 6 ? -1.871 7.720 4.259 1.00 0.24 ? 6 DG B C5 2 +ATOM 1072 C C6 . DG B 1 6 ? -1.224 7.725 2.986 1.00 0.25 ? 6 DG B C6 2 +ATOM 1073 O O6 . DG B 1 6 ? -1.679 7.632 1.851 1.00 0.29 ? 6 DG B O6 2 +ATOM 1074 N N1 . DG B 1 6 ? 0.136 7.859 3.108 1.00 0.27 ? 6 DG B N1 2 +ATOM 1075 C C2 . DG B 1 6 ? 0.812 7.985 4.298 1.00 0.28 ? 6 DG B C2 2 +ATOM 1076 N N2 . DG B 1 6 ? 2.117 8.125 4.269 1.00 0.34 ? 6 DG B N2 2 +ATOM 1077 N N3 . DG B 1 6 ? 0.238 7.984 5.486 1.00 0.27 ? 6 DG B N3 2 +ATOM 1078 C C4 . DG B 1 6 ? -1.100 7.847 5.390 1.00 0.25 ? 6 DG B C4 2 +ATOM 1079 H "H5'" . DG B 1 6 ? -2.958 5.230 10.580 1.00 0.30 ? 6 DG B "H5'" 2 +ATOM 1080 H "H5''" . DG B 1 6 ? -2.845 6.484 11.820 1.00 0.28 ? 6 DG B "H5''" 2 +ATOM 1081 H "H4'" . DG B 1 6 ? -1.021 6.674 10.565 1.00 0.24 ? 6 DG B "H4'" 2 +ATOM 1082 H "H3'" . DG B 1 6 ? -2.681 8.863 10.804 1.00 0.29 ? 6 DG B "H3'" 2 +ATOM 1083 H "H2'" . DG B 1 6 ? -3.415 8.652 8.521 1.00 0.25 ? 6 DG B "H2'" 2 +ATOM 1084 H "H2''" . DG B 1 6 ? -2.189 9.904 8.395 1.00 0.30 ? 6 DG B "H2''" 2 +ATOM 1085 H "H1'" . DG B 1 6 ? -0.486 8.225 7.856 1.00 0.28 ? 6 DG B "H1'" 2 +ATOM 1086 H H8 . DG B 1 6 ? -4.024 7.594 6.589 1.00 0.31 ? 6 DG B H8 2 +ATOM 1087 H H1 . DG B 1 6 ? 0.614 7.830 2.215 1.00 0.25 ? 6 DG B H1 2 +ATOM 1088 H H21 . DG B 1 6 ? 2.609 8.024 3.392 1.00 0.35 ? 6 DG B H21 2 +ATOM 1089 H H22 . DG B 1 6 ? 2.607 8.337 5.124 1.00 0.44 ? 6 DG B H22 2 +ATOM 1090 P P . DT B 1 7 ? 0.307 8.738 11.545 1.00 0.29 ? 7 DT B P 2 +ATOM 1091 O OP1 . DT B 1 7 ? 1.026 7.490 11.171 1.00 0.31 ? 7 DT B OP1 2 +ATOM 1092 O OP2 . DT B 1 7 ? -0.458 8.802 12.810 1.00 0.33 ? 7 DT B OP2 2 +ATOM 1093 O "O5'" . DT B 1 7 ? 1.363 9.949 11.546 1.00 0.42 ? 7 DT B "O5'" 2 +ATOM 1094 C "C5'" . DT B 1 7 ? 2.700 9.834 11.039 1.00 0.43 ? 7 DT B "C5'" 2 +ATOM 1095 C "C4'" . DT B 1 7 ? 2.950 10.687 9.797 1.00 0.43 ? 7 DT B "C4'" 2 +ATOM 1096 O "O4'" . DT B 1 7 ? 2.224 10.291 8.608 1.00 0.36 ? 7 DT B "O4'" 2 +ATOM 1097 C "C3'" . DT B 1 7 ? 2.624 12.171 10.018 1.00 0.47 ? 7 DT B "C3'" 2 +ATOM 1098 O "O3'" . DT B 1 7 ? 3.747 12.983 9.733 1.00 0.53 ? 7 DT B "O3'" 2 +ATOM 1099 C "C2'" . DT B 1 7 ? 1.677 12.468 8.879 1.00 0.41 ? 7 DT B "C2'" 2 +ATOM 1100 C "C1'" . DT B 1 7 ? 2.111 11.484 7.815 1.00 0.35 ? 7 DT B "C1'" 2 +ATOM 1101 N N1 . DT B 1 7 ? 1.182 11.337 6.670 1.00 0.31 ? 7 DT B N1 2 +ATOM 1102 C C2 . DT B 1 7 ? 1.767 11.119 5.433 1.00 0.37 ? 7 DT B C2 2 +ATOM 1103 O O2 . DT B 1 7 ? 2.977 11.037 5.250 1.00 0.47 ? 7 DT B O2 2 +ATOM 1104 N N3 . DT B 1 7 ? 0.918 10.992 4.372 1.00 0.38 ? 7 DT B N3 2 +ATOM 1105 C C4 . DT B 1 7 ? -0.448 11.058 4.416 1.00 0.38 ? 7 DT B C4 2 +ATOM 1106 O O4 . DT B 1 7 ? -1.082 10.919 3.379 1.00 0.43 ? 7 DT B O4 2 +ATOM 1107 C C5 . DT B 1 7 ? -0.999 11.287 5.730 1.00 0.37 ? 7 DT B C5 2 +ATOM 1108 C C7 . DT B 1 7 ? -2.521 11.383 5.887 1.00 0.50 ? 7 DT B C7 2 +ATOM 1109 C C6 . DT B 1 7 ? -0.189 11.416 6.801 1.00 0.31 ? 7 DT B C6 2 +ATOM 1110 H "H5'" . DT B 1 7 ? 2.933 8.796 10.801 1.00 0.43 ? 7 DT B "H5'" 2 +ATOM 1111 H "H5''" . DT B 1 7 ? 3.373 10.170 11.828 1.00 0.53 ? 7 DT B "H5''" 2 +ATOM 1112 H "H4'" . DT B 1 7 ? 4.019 10.623 9.592 1.00 0.48 ? 7 DT B "H4'" 2 +ATOM 1113 H "H3'" . DT B 1 7 ? 2.229 12.346 11.018 1.00 0.55 ? 7 DT B "H3'" 2 +ATOM 1114 H "H2'" . DT B 1 7 ? 0.637 12.311 9.167 1.00 0.46 ? 7 DT B "H2'" 2 +ATOM 1115 H "H2''" . DT B 1 7 ? 1.818 13.485 8.514 1.00 0.45 ? 7 DT B "H2''" 2 +ATOM 1116 H "H1'" . DT B 1 7 ? 3.080 11.807 7.435 1.00 0.38 ? 7 DT B "H1'" 2 +ATOM 1117 H H3 . DT B 1 7 ? 1.344 10.828 3.472 1.00 0.43 ? 7 DT B H3 2 +ATOM 1118 H H71 . DT B 1 7 ? -2.787 12.342 6.329 1.00 0.57 ? 7 DT B H71 2 +ATOM 1119 H H72 . DT B 1 7 ? -2.991 11.304 4.906 1.00 0.52 ? 7 DT B H72 2 +ATOM 1120 H H73 . DT B 1 7 ? -2.883 10.569 6.514 1.00 0.59 ? 7 DT B H73 2 +ATOM 1121 H H6 . DT B 1 7 ? -0.653 11.580 7.774 1.00 0.36 ? 7 DT B H6 2 +ATOM 1122 P P . DC B 1 8 ? 4.777 13.417 10.875 1.00 1.01 ? 8 DC B P 2 +ATOM 1123 O OP1 . DC B 1 8 ? 5.627 12.250 11.211 1.00 1.31 ? 8 DC B OP1 2 +ATOM 1124 O OP2 . DC B 1 8 ? 4.011 14.116 11.932 1.00 1.46 ? 8 DC B OP2 2 +ATOM 1125 O "O5'" . DC B 1 8 ? 5.674 14.498 10.094 1.00 1.06 ? 8 DC B "O5'" 2 +ATOM 1126 C "C5'" . DC B 1 8 ? 6.601 14.161 9.053 1.00 0.91 ? 8 DC B "C5'" 2 +ATOM 1127 C "C4'" . DC B 1 8 ? 6.148 14.661 7.683 1.00 0.68 ? 8 DC B "C4'" 2 +ATOM 1128 O "O4'" . DC B 1 8 ? 4.913 14.082 7.224 1.00 0.53 ? 8 DC B "O4'" 2 +ATOM 1129 C "C3'" . DC B 1 8 ? 5.852 16.154 7.711 1.00 0.71 ? 8 DC B "C3'" 2 +ATOM 1130 O "O3'" . DC B 1 8 ? 7.012 16.988 7.670 1.00 0.79 ? 8 DC B "O3'" 2 +ATOM 1131 C "C2'" . DC B 1 8 ? 4.962 16.313 6.479 1.00 0.56 ? 8 DC B "C2'" 2 +ATOM 1132 C "C1'" . DC B 1 8 ? 4.450 14.928 6.150 1.00 0.43 ? 8 DC B "C1'" 2 +ATOM 1133 N N1 . DC B 1 8 ? 2.986 14.882 5.973 1.00 0.41 ? 8 DC B N1 2 +ATOM 1134 C C2 . DC B 1 8 ? 2.486 14.387 4.780 1.00 0.44 ? 8 DC B C2 2 +ATOM 1135 O O2 . DC B 1 8 ? 3.217 13.994 3.876 1.00 0.48 ? 8 DC B O2 2 +ATOM 1136 N N3 . DC B 1 8 ? 1.146 14.347 4.608 1.00 0.48 ? 8 DC B N3 2 +ATOM 1137 C C4 . DC B 1 8 ? 0.322 14.775 5.565 1.00 0.50 ? 8 DC B C4 2 +ATOM 1138 N N4 . DC B 1 8 ? -0.981 14.710 5.330 1.00 0.60 ? 8 DC B N4 2 +ATOM 1139 C C5 . DC B 1 8 ? 0.818 15.289 6.805 1.00 0.49 ? 8 DC B C5 2 +ATOM 1140 C C6 . DC B 1 8 ? 2.157 15.320 6.957 1.00 0.44 ? 8 DC B C6 2 +ATOM 1141 H "H5'" . DC B 1 8 ? 6.750 13.083 8.984 1.00 0.92 ? 8 DC B "H5'" 2 +ATOM 1142 H "H5''" . DC B 1 8 ? 7.552 14.636 9.293 1.00 1.03 ? 8 DC B "H5''" 2 +ATOM 1143 H "H4'" . DC B 1 8 ? 6.972 14.465 6.996 1.00 0.65 ? 8 DC B "H4'" 2 +ATOM 1144 H "H3'" . DC B 1 8 ? 5.304 16.365 8.630 1.00 0.81 ? 8 DC B "H3'" 2 +ATOM 1145 H "HO3'" . DC B 1 8 ? 7.536 16.770 8.446 1.00 0.92 ? 8 DC B "HO3'" 2 +ATOM 1146 H "H2'" . DC B 1 8 ? 4.117 16.973 6.675 1.00 0.59 ? 8 DC B "H2'" 2 +ATOM 1147 H "H2''" . DC B 1 8 ? 5.503 16.619 5.582 1.00 0.61 ? 8 DC B "H2''" 2 +ATOM 1148 H "H1'" . DC B 1 8 ? 4.931 14.714 5.197 1.00 0.40 ? 8 DC B "H1'" 2 +ATOM 1149 H H41 . DC B 1 8 ? -1.290 14.398 4.415 1.00 0.63 ? 8 DC B H41 2 +ATOM 1150 H H42 . DC B 1 8 ? -1.650 14.966 6.041 1.00 0.72 ? 8 DC B H42 2 +ATOM 1151 H H5 . DC B 1 8 ? 0.156 15.647 7.592 1.00 0.60 ? 8 DC B H5 2 +ATOM 1152 H H6 . DC B 1 8 ? 2.595 15.697 7.880 1.00 0.47 ? 8 DC B H6 2 +HETATM 1153 C C1 . MNG C 2 . ? 3.286 -5.172 1.797 1.00 0.19 ? 9 MNG A C1 2 +HETATM 1154 C C2 . MNG C 2 . ? 2.910 -5.157 0.443 1.00 0.18 ? 9 MNG A C2 2 +HETATM 1155 C C3 . MNG C 2 . ? 1.569 -5.149 0.109 1.00 0.23 ? 9 MNG A C3 2 +HETATM 1156 C C4 . MNG C 2 . ? 0.605 -5.153 1.061 1.00 0.22 ? 9 MNG A C4 2 +HETATM 1157 C C5 . MNG C 2 . ? -0.097 -5.179 3.393 1.00 0.25 ? 9 MNG A C5 2 +HETATM 1158 C C6 . MNG C 2 . ? -0.819 -5.215 5.781 1.00 0.29 ? 9 MNG A C6 2 +HETATM 1159 C C7 . MNG C 2 . ? -1.547 -5.259 8.313 1.00 0.37 ? 9 MNG A C7 2 +HETATM 1160 C C8 . MNG C 2 . ? -0.904 -5.031 9.685 1.00 0.41 ? 9 MNG A C8 2 +HETATM 1161 C C9 . MNG C 2 . ? 0.374 -5.824 9.867 1.00 0.41 ? 9 MNG A C9 2 +HETATM 1162 C C10 . MNG C 2 . ? 1.400 -5.266 8.942 1.00 0.35 ? 9 MNG A C10 2 +HETATM 1163 C C11 . MNG C 2 . ? 1.841 -5.225 6.513 1.00 0.28 ? 9 MNG A C11 2 +HETATM 1164 C C12 . MNG C 2 . ? 2.583 -5.194 4.188 1.00 0.23 ? 9 MNG A C12 2 +HETATM 1165 C C16 . MNG C 2 . ? 2.293 -5.178 2.813 1.00 0.19 ? 9 MNG A C16 2 +HETATM 1166 C C17 . MNG C 2 . ? 0.924 -5.170 2.427 1.00 0.21 ? 9 MNG A C17 2 +HETATM 1167 C C18 . MNG C 2 . ? 0.184 -5.198 4.771 1.00 0.26 ? 9 MNG A C18 2 +HETATM 1168 C C19 . MNG C 2 . ? -0.473 -5.237 7.163 1.00 0.31 ? 9 MNG A C19 2 +HETATM 1169 C C20 . MNG C 2 . ? 0.888 -5.241 7.498 1.00 0.30 ? 9 MNG A C20 2 +HETATM 1170 C C21 . MNG C 2 . ? 1.551 -5.205 5.157 1.00 0.25 ? 9 MNG A C21 2 +HETATM 1171 C "C1'" . MNG C 2 . ? 5.644 -5.288 1.146 1.00 0.22 ? 9 MNG A "C1'" 2 +HETATM 1172 C "C2'" . MNG C 2 . ? 6.014 -6.787 0.842 1.00 0.20 ? 9 MNG A "C2'" 2 +HETATM 1173 C "C3'" . MNG C 2 . ? 4.779 -7.495 0.152 1.00 0.16 ? 9 MNG A "C3'" 2 +HETATM 1174 C "C4'" . MNG C 2 . ? 4.251 -6.621 -1.107 1.00 0.18 ? 9 MNG A "C4'" 2 +HETATM 1175 C "C5'" . MNG C 2 . ? 4.016 -5.157 -0.633 1.00 0.20 ? 9 MNG A "C5'" 2 +HETATM 1176 C C5M . MNG C 2 . ? 3.642 -4.246 -1.830 1.00 0.26 ? 9 MNG A C5M 2 +HETATM 1177 C C1M . MNG C 2 . ? 5.713 -9.099 -1.664 1.00 0.32 ? 9 MNG A C1M 2 +HETATM 1178 C C2M . MNG C 2 . ? 4.426 -10.027 0.338 1.00 0.31 ? 9 MNG A C2M 2 +HETATM 1179 C C7M . MNG C 2 . ? -3.683 -4.294 8.994 1.00 0.50 ? 9 MNG A C7M 2 +HETATM 1180 C C9M . MNG C 2 . ? 0.161 -7.321 9.573 1.00 0.44 ? 9 MNG A C9M 2 +HETATM 1181 O O1 . MNG C 2 . ? 4.633 -5.182 2.146 1.00 0.19 ? 9 MNG A O1 2 +HETATM 1182 O O4 . MNG C 2 . ? -0.697 -5.144 0.614 1.00 0.27 ? 9 MNG A O4 2 +HETATM 1183 O O5 . MNG C 2 . ? -1.243 -5.170 2.927 1.00 0.27 ? 9 MNG A O5 2 +HETATM 1184 O O6 . MNG C 2 . ? -2.138 -5.208 5.362 1.00 0.32 ? 9 MNG A O6 2 +HETATM 1185 O O7 . MNG C 2 . ? -2.548 -4.255 8.105 1.00 0.38 ? 9 MNG A O7 2 +HETATM 1186 O O9 . MNG C 2 . ? 0.816 -5.720 11.191 1.00 0.49 ? 9 MNG A O9 2 +HETATM 1187 O O12 . MNG C 2 . ? 3.751 -5.203 4.572 1.00 0.25 ? 9 MNG A O12 2 +HETATM 1188 O "O1'" . MNG C 2 . ? 5.236 -4.646 -0.075 1.00 0.21 ? 9 MNG A "O1'" 2 +HETATM 1189 O "O2'" . MNG C 2 . ? 6.405 -7.489 2.019 1.00 0.28 ? 9 MNG A "O2'" 2 +HETATM 1190 O "O4'" . MNG C 2 . ? 3.046 -7.162 -1.632 1.00 0.23 ? 9 MNG A "O4'" 2 +HETATM 1191 N N1 . MNG C 2 . ? 5.135 -8.881 -0.301 1.00 0.24 ? 9 MNG A N1 2 +HETATM 1192 H H3 . MNG C 2 . ? 1.232 -5.140 -0.917 1.00 0.24 ? 9 MNG A H3 2 +HETATM 1193 H H7 . MNG C 2 . ? -2.003 -6.255 8.389 1.00 0.43 ? 9 MNG A H7 2 +HETATM 1194 H H81 . MNG C 2 . ? -1.658 -5.308 10.435 1.00 0.45 ? 9 MNG A H81 2 +HETATM 1195 H H82 . MNG C 2 . ? -0.688 -3.964 9.833 1.00 0.42 ? 9 MNG A H82 2 +HETATM 1196 H H101 . MNG C 2 . ? 1.673 -4.241 9.231 1.00 0.35 ? 9 MNG A H101 2 +HETATM 1197 H H102 . MNG C 2 . ? 2.316 -5.864 9.054 1.00 0.37 ? 9 MNG A H102 2 +HETATM 1198 H H11 . MNG C 2 . ? 2.877 -5.231 6.822 1.00 0.30 ? 9 MNG A H11 2 +HETATM 1199 H "H1'" . MNG C 2 . ? 6.575 -4.819 1.495 1.00 0.27 ? 9 MNG A "H1'" 2 +HETATM 1200 H "H2'" . MNG C 2 . ? 6.890 -6.752 0.180 1.00 0.24 ? 9 MNG A "H2'" 2 +HETATM 1201 H "H3'" . MNG C 2 . ? 3.993 -7.562 0.918 1.00 0.19 ? 9 MNG A "H3'" 2 +HETATM 1202 H "H4'" . MNG C 2 . ? 4.971 -6.561 -1.935 1.00 0.19 ? 9 MNG A "H4'" 2 +HETATM 1203 H H5M1 . MNG C 2 . ? 4.452 -4.249 -2.545 1.00 0.29 ? 9 MNG A H5M1 2 +HETATM 1204 H H5M2 . MNG C 2 . ? 3.480 -3.234 -1.493 1.00 0.32 ? 9 MNG A H5M2 2 +HETATM 1205 H H5M3 . MNG C 2 . ? 2.754 -4.604 -2.329 1.00 0.33 ? 9 MNG A H5M3 2 +HETATM 1206 H H1M1 . MNG C 2 . ? 4.954 -9.130 -2.431 1.00 0.43 ? 9 MNG A H1M1 2 +HETATM 1207 H H1M2 . MNG C 2 . ? 6.245 -10.038 -1.687 1.00 0.38 ? 9 MNG A H1M2 2 +HETATM 1208 H H1M3 . MNG C 2 . ? 6.415 -8.315 -1.904 1.00 0.43 ? 9 MNG A H1M3 2 +HETATM 1209 H H2M1 . MNG C 2 . ? 4.969 -10.945 0.168 1.00 0.39 ? 9 MNG A H2M1 2 +HETATM 1210 H H2M2 . MNG C 2 . ? 3.428 -10.143 -0.059 1.00 0.40 ? 9 MNG A H2M2 2 +HETATM 1211 H H2M3 . MNG C 2 . ? 4.354 -9.872 1.404 1.00 0.43 ? 9 MNG A H2M3 2 +HETATM 1212 H H7M1 . MNG C 2 . ? -3.375 -4.149 10.018 1.00 0.59 ? 9 MNG A H7M1 2 +HETATM 1213 H H7M2 . MNG C 2 . ? -4.361 -3.497 8.726 1.00 0.52 ? 9 MNG A H7M2 2 +HETATM 1214 H H7M3 . MNG C 2 . ? -4.197 -5.238 8.890 1.00 0.61 ? 9 MNG A H7M3 2 +HETATM 1215 H H9M1 . MNG C 2 . ? 1.090 -7.854 9.712 1.00 0.48 ? 9 MNG A H9M1 2 +HETATM 1216 H H9M2 . MNG C 2 . ? -0.157 -7.507 8.558 1.00 0.42 ? 9 MNG A H9M2 2 +HETATM 1217 H H9M3 . MNG C 2 . ? -0.573 -7.733 10.249 1.00 0.52 ? 9 MNG A H9M3 2 +HETATM 1218 H HO4 . MNG C 2 . ? -1.224 -5.139 1.439 1.00 0.25 ? 9 MNG A HO4 2 +HETATM 1219 H HO6 . MNG C 2 . ? -2.720 -4.819 6.019 1.00 0.39 ? 9 MNG A HO6 2 +HETATM 1220 H HO9 . MNG C 2 . ? 1.564 -6.343 11.321 1.00 0.47 ? 9 MNG A HO9 2 +HETATM 1221 H "HO2'" . MNG C 2 . ? 5.672 -7.595 2.650 1.00 0.26 ? 9 MNG A "HO2'" 2 +HETATM 1222 H "HO4'" . MNG C 2 . ? 3.182 -8.099 -1.812 1.00 0.28 ? 9 MNG A "HO4'" 2 +HETATM 1223 C C1 . MNG D 2 . ? -2.911 4.604 2.498 1.00 0.25 ? 9 MNG B C1 2 +HETATM 1224 C C2 . MNG D 2 . ? -3.039 4.482 1.104 1.00 0.25 ? 9 MNG B C2 2 +HETATM 1225 C C3 . MNG D 2 . ? -1.905 4.424 0.317 1.00 0.26 ? 9 MNG B C3 2 +HETATM 1226 C C4 . MNG D 2 . ? -0.665 4.481 0.861 1.00 0.24 ? 9 MNG B C4 2 +HETATM 1227 C C5 . MNG D 2 . ? 0.820 4.664 2.783 1.00 0.24 ? 9 MNG B C5 2 +HETATM 1228 C C6 . MNG D 2 . ? 2.343 4.861 4.747 1.00 0.24 ? 9 MNG B C6 2 +HETATM 1229 C C7 . MNG D 2 . ? 3.923 5.081 6.845 1.00 0.30 ? 9 MNG B C7 2 +HETATM 1230 C C8 . MNG D 2 . ? 3.813 4.967 8.368 1.00 0.29 ? 9 MNG B C8 2 +HETATM 1231 C C9 . MNG D 2 . ? 2.675 5.795 8.933 1.00 0.28 ? 9 MNG B C9 2 +HETATM 1232 C C10 . MNG D 2 . ? 1.393 5.189 8.478 1.00 0.23 ? 9 MNG B C10 2 +HETATM 1233 C C11 . MNG D 2 . ? 0.117 4.978 6.376 1.00 0.22 ? 9 MNG B C11 2 +HETATM 1234 C C12 . MNG D 2 . ? -1.404 4.789 4.474 1.00 0.24 ? 9 MNG B C12 2 +HETATM 1235 C C16 . MNG D 2 . ? -1.621 4.665 3.091 1.00 0.22 ? 9 MNG B C16 2 +HETATM 1236 C C17 . MNG D 2 . ? -0.478 4.603 2.247 1.00 0.22 ? 9 MNG B C17 2 +HETATM 1237 C C18 . MNG D 2 . ? 1.047 4.790 4.164 1.00 0.20 ? 9 MNG B C18 2 +HETATM 1238 C C19 . MNG D 2 . ? 2.510 4.992 6.156 1.00 0.24 ? 9 MNG B C19 2 +HETATM 1239 C C20 . MNG D 2 . ? 1.358 5.048 6.951 1.00 0.21 ? 9 MNG B C20 2 +HETATM 1240 C C21 . MNG D 2 . ? -0.094 4.852 5.009 1.00 0.21 ? 9 MNG B C21 2 +HETATM 1241 C "C1'" . MNG D 2 . ? -5.347 4.713 2.721 1.00 0.39 ? 9 MNG B "C1'" 2 +HETATM 1242 C "C2'" . MNG D 2 . ? -5.813 6.195 2.456 1.00 0.45 ? 9 MNG B "C2'" 2 +HETATM 1243 C "C3'" . MNG D 2 . ? -4.910 6.826 1.322 1.00 0.39 ? 9 MNG B "C3'" 2 +HETATM 1244 C "C4'" . MNG D 2 . ? -4.858 5.852 0.026 1.00 0.36 ? 9 MNG B "C4'" 2 +HETATM 1245 C "C5'" . MNG D 2 . ? -4.456 4.422 0.495 1.00 0.31 ? 9 MNG B "C5'" 2 +HETATM 1246 C C5M . MNG D 2 . ? -4.524 3.420 -0.685 1.00 0.33 ? 9 MNG B C5M 2 +HETATM 1247 C C1M . MNG D 2 . ? -6.444 8.309 -0.160 1.00 0.66 ? 9 MNG B C1M 2 +HETATM 1248 C C2M . MNG D 2 . ? -4.537 9.357 1.178 1.00 0.59 ? 9 MNG B C2M 2 +HETATM 1249 C C7M . MNG D 2 . ? 6.171 4.129 6.793 1.00 0.54 ? 9 MNG B C7M 2 +HETATM 1250 C C9M . MNG D 2 . ? 2.756 7.261 8.470 1.00 0.36 ? 9 MNG B C9M 2 +HETATM 1251 O O1 . MNG D 2 . ? -4.044 4.665 3.300 1.00 0.29 ? 9 MNG B O1 2 +HETATM 1252 O O4 . MNG D 2 . ? 0.391 4.414 -0.018 1.00 0.29 ? 9 MNG B O4 2 +HETATM 1253 O O5 . MNG D 2 . ? 1.724 4.600 1.941 1.00 0.29 ? 9 MNG B O5 2 +HETATM 1254 O O6 . MNG D 2 . ? 3.426 4.802 3.888 1.00 0.31 ? 9 MNG B O6 2 +HETATM 1255 O O7 . MNG D 2 . ? 4.796 4.047 6.372 1.00 0.37 ? 9 MNG B O7 2 +HETATM 1256 O O9 . MNG D 2 . ? 2.735 5.797 10.333 1.00 0.32 ? 9 MNG B O9 2 +HETATM 1257 O O12 . MNG D 2 . ? -2.359 4.848 5.246 1.00 0.28 ? 9 MNG B O12 2 +HETATM 1258 O "O1'" . MNG D 2 . ? -5.393 3.975 1.487 1.00 0.37 ? 9 MNG B "O1'" 2 +HETATM 1259 O "O2'" . MNG D 2 . ? -5.765 6.987 3.639 1.00 0.54 ? 9 MNG B "O2'" 2 +HETATM 1260 O "O4'" . MNG D 2 . ? -3.923 6.331 -0.932 1.00 0.40 ? 9 MNG B "O4'" 2 +HETATM 1261 N N1 . MNG D 2 . ? -5.417 8.181 0.921 1.00 0.55 ? 9 MNG B N1 2 +HETATM 1262 H H3 . MNG D 2 . ? -1.952 4.334 -0.758 1.00 0.25 ? 9 MNG B H3 2 +HETATM 1263 H H7 . MNG D 2 . ? 4.369 6.071 6.679 1.00 0.38 ? 9 MNG B H7 2 +HETATM 1264 H H81 . MNG D 2 . ? 4.782 5.284 8.779 1.00 0.36 ? 9 MNG B H81 2 +HETATM 1265 H H82 . MNG D 2 . ? 3.672 3.918 8.664 1.00 0.30 ? 9 MNG B H82 2 +HETATM 1266 H H101 . MNG D 2 . ? 1.248 4.194 8.921 1.00 0.22 ? 9 MNG B H101 2 +HETATM 1267 H H102 . MNG D 2 . ? 0.571 5.811 8.861 1.00 0.29 ? 9 MNG B H102 2 +HETATM 1268 H H11 . MNG D 2 . ? -0.739 5.025 7.031 1.00 0.24 ? 9 MNG B H11 2 +HETATM 1269 H "H1'" . MNG D 2 . ? -6.088 4.287 3.411 1.00 0.45 ? 9 MNG B "H1'" 2 +HETATM 1270 H "H2'" . MNG D 2 . ? -6.868 6.127 2.153 1.00 0.54 ? 9 MNG B "H2'" 2 +HETATM 1271 H "H3'" . MNG D 2 . ? -3.903 6.934 1.749 1.00 0.37 ? 9 MNG B "H3'" 2 +HETATM 1272 H "H4'" . MNG D 2 . ? -5.824 5.743 -0.485 1.00 0.42 ? 9 MNG B "H4'" 2 +HETATM 1273 H H5M1 . MNG D 2 . ? -5.535 3.386 -1.063 1.00 0.36 ? 9 MNG B H5M1 2 +HETATM 1274 H H5M2 . MNG D 2 . ? -4.245 2.432 -0.353 1.00 0.41 ? 9 MNG B H5M2 2 +HETATM 1275 H H5M3 . MNG D 2 . ? -3.875 3.723 -1.494 1.00 0.32 ? 9 MNG B H5M3 2 +HETATM 1276 H H1M1 . MNG D 2 . ? -6.008 8.270 -1.148 1.00 0.69 ? 9 MNG B H1M1 2 +HETATM 1277 H H1M2 . MNG D 2 . ? -6.959 9.254 -0.065 1.00 0.76 ? 9 MNG B H1M2 2 +HETATM 1278 H H1M3 . MNG D 2 . ? -7.178 7.522 -0.076 1.00 0.72 ? 9 MNG B H1M3 2 +HETATM 1279 H H2M1 . MNG D 2 . ? -5.114 10.270 1.144 1.00 0.68 ? 9 MNG B H2M1 2 +HETATM 1280 H H2M2 . MNG D 2 . ? -3.747 9.426 0.445 1.00 0.66 ? 9 MNG B H2M2 2 +HETATM 1281 H H2M3 . MNG D 2 . ? -4.089 9.280 2.157 1.00 0.63 ? 9 MNG B H2M3 2 +HETATM 1282 H H7M1 . MNG D 2 . ? 6.247 4.066 7.869 1.00 0.61 ? 9 MNG B H7M1 2 +HETATM 1283 H H7M2 . MNG D 2 . ? 6.718 3.303 6.365 1.00 0.58 ? 9 MNG B H7M2 2 +HETATM 1284 H H7M3 . MNG D 2 . ? 6.606 5.054 6.444 1.00 0.67 ? 9 MNG B H7M3 2 +HETATM 1285 H H9M1 . MNG D 2 . ? 1.933 7.820 8.889 1.00 0.43 ? 9 MNG B H9M1 2 +HETATM 1286 H H9M2 . MNG D 2 . ? 2.691 7.366 7.397 1.00 0.37 ? 9 MNG B H9M2 2 +HETATM 1287 H H9M3 . MNG D 2 . ? 3.679 7.708 8.808 1.00 0.45 ? 9 MNG B H9M3 2 +HETATM 1288 H HO4 . MNG D 2 . ? 1.178 4.456 0.563 1.00 0.26 ? 9 MNG B HO4 2 +HETATM 1289 H HO6 . MNG D 2 . ? 4.210 4.453 4.321 1.00 0.35 ? 9 MNG B HO6 2 +HETATM 1290 H HO9 . MNG D 2 . ? 2.072 6.433 10.672 1.00 0.30 ? 9 MNG B HO9 2 +HETATM 1291 H "HO2'" . MNG D 2 . ? -4.857 7.128 3.955 1.00 0.45 ? 9 MNG B "HO2'" 2 +HETATM 1292 H "HO4'" . MNG D 2 . ? -4.121 7.254 -1.123 1.00 0.47 ? 9 MNG B "HO4'" 2 +ATOM 1293 O "O5'" . DG A 1 1 ? -2.483 14.723 -5.627 1.00 0.49 ? 1 DG A "O5'" 3 +ATOM 1294 C "C5'" . DG A 1 1 ? -1.361 15.150 -6.402 1.00 0.44 ? 1 DG A "C5'" 3 +ATOM 1295 C "C4'" . DG A 1 1 ? -0.044 14.572 -5.854 1.00 0.34 ? 1 DG A "C4'" 3 +ATOM 1296 O "O4'" . DG A 1 1 ? 0.212 15.037 -4.515 1.00 0.41 ? 1 DG A "O4'" 3 +ATOM 1297 C "C3'" . DG A 1 1 ? 0.038 13.053 -5.859 1.00 0.23 ? 1 DG A "C3'" 3 +ATOM 1298 O "O3'" . DG A 1 1 ? 1.345 12.660 -6.299 1.00 0.25 ? 1 DG A "O3'" 3 +ATOM 1299 C "C2'" . DG A 1 1 ? -0.237 12.782 -4.386 1.00 0.30 ? 1 DG A "C2'" 3 +ATOM 1300 C "C1'" . DG A 1 1 ? 0.479 13.907 -3.681 1.00 0.39 ? 1 DG A "C1'" 3 +ATOM 1301 N N9 . DG A 1 1 ? -0.139 14.156 -2.373 1.00 0.44 ? 1 DG A N9 3 +ATOM 1302 C C8 . DG A 1 1 ? -1.416 14.529 -2.104 1.00 0.55 ? 1 DG A C8 3 +ATOM 1303 N N7 . DG A 1 1 ? -1.709 14.718 -0.853 1.00 0.62 ? 1 DG A N7 3 +ATOM 1304 C C5 . DG A 1 1 ? -0.493 14.437 -0.224 1.00 0.53 ? 1 DG A C5 3 +ATOM 1305 C C6 . DG A 1 1 ? -0.142 14.461 1.156 1.00 0.55 ? 1 DG A C6 3 +ATOM 1306 O O6 . DG A 1 1 ? -0.814 14.738 2.144 1.00 0.65 ? 1 DG A O6 3 +ATOM 1307 N N1 . DG A 1 1 ? 1.169 14.116 1.353 1.00 0.48 ? 1 DG A N1 3 +ATOM 1308 C C2 . DG A 1 1 ? 2.054 13.783 0.362 1.00 0.40 ? 1 DG A C2 3 +ATOM 1309 N N2 . DG A 1 1 ? 3.273 13.463 0.742 1.00 0.39 ? 1 DG A N2 3 +ATOM 1310 N N3 . DG A 1 1 ? 1.755 13.756 -0.930 1.00 0.36 ? 1 DG A N3 3 +ATOM 1311 C C4 . DG A 1 1 ? 0.465 14.093 -1.149 1.00 0.42 ? 1 DG A C4 3 +ATOM 1312 H "H5'" . DG A 1 1 ? -1.292 16.236 -6.332 1.00 0.58 ? 1 DG A "H5'" 3 +ATOM 1313 H "H5''" . DG A 1 1 ? -1.537 14.876 -7.441 1.00 0.42 ? 1 DG A "H5''" 3 +ATOM 1314 H "H4'" . DG A 1 1 ? 0.824 14.859 -6.447 1.00 0.37 ? 1 DG A "H4'" 3 +ATOM 1315 H "H3'" . DG A 1 1 ? -0.658 12.683 -6.611 1.00 0.26 ? 1 DG A "H3'" 3 +ATOM 1316 H "H2'" . DG A 1 1 ? -1.307 12.901 -4.213 1.00 0.35 ? 1 DG A "H2'" 3 +ATOM 1317 H "H2''" . DG A 1 1 ? 0.122 11.836 -3.979 1.00 0.33 ? 1 DG A "H2''" 3 +ATOM 1318 H "H1'" . DG A 1 1 ? 1.557 13.746 -3.641 1.00 0.38 ? 1 DG A "H1'" 3 +ATOM 1319 H H8 . DG A 1 1 ? -2.134 14.653 -2.916 1.00 0.60 ? 1 DG A H8 3 +ATOM 1320 H H1 . DG A 1 1 ? 1.436 14.130 2.326 1.00 0.51 ? 1 DG A H1 3 +ATOM 1321 H H21 . DG A 1 1 ? 3.500 13.506 1.727 1.00 0.42 ? 1 DG A H21 3 +ATOM 1322 H H22 . DG A 1 1 ? 3.941 13.179 0.040 1.00 0.39 ? 1 DG A H22 3 +ATOM 1323 H "HO5'" . DG A 1 1 ? -2.213 14.834 -4.715 1.00 0.52 ? 1 DG A "HO5'" 3 +ATOM 1324 P P . DA A 1 2 ? 2.115 11.300 -5.895 1.00 0.20 ? 2 DA A P 3 +ATOM 1325 O OP1 . DA A 1 2 ? 3.136 11.053 -6.935 1.00 0.26 ? 2 DA A OP1 3 +ATOM 1326 O OP2 . DA A 1 2 ? 1.127 10.249 -5.558 1.00 0.27 ? 2 DA A OP2 3 +ATOM 1327 O "O5'" . DA A 1 2 ? 2.852 11.726 -4.524 1.00 0.28 ? 2 DA A "O5'" 3 +ATOM 1328 C "C5'" . DA A 1 2 ? 4.105 12.424 -4.514 1.00 0.26 ? 2 DA A "C5'" 3 +ATOM 1329 C "C4'" . DA A 1 2 ? 5.211 11.653 -3.787 1.00 0.29 ? 2 DA A "C4'" 3 +ATOM 1330 O "O4'" . DA A 1 2 ? 5.041 11.536 -2.364 1.00 0.30 ? 2 DA A "O4'" 3 +ATOM 1331 C "C3'" . DA A 1 2 ? 5.435 10.250 -4.315 1.00 0.25 ? 2 DA A "C3'" 3 +ATOM 1332 O "O3'" . DA A 1 2 ? 6.836 9.966 -4.352 1.00 0.32 ? 2 DA A "O3'" 3 +ATOM 1333 C "C2'" . DA A 1 2 ? 4.646 9.413 -3.334 1.00 0.23 ? 2 DA A "C2'" 3 +ATOM 1334 C "C1'" . DA A 1 2 ? 4.571 10.213 -2.049 1.00 0.25 ? 2 DA A "C1'" 3 +ATOM 1335 N N9 . DA A 1 2 ? 3.191 10.364 -1.510 1.00 0.23 ? 2 DA A N9 3 +ATOM 1336 C C8 . DA A 1 2 ? 2.002 10.445 -2.177 1.00 0.25 ? 2 DA A C8 3 +ATOM 1337 N N7 . DA A 1 2 ? 0.931 10.590 -1.466 1.00 0.26 ? 2 DA A N7 3 +ATOM 1338 C C5 . DA A 1 2 ? 1.455 10.612 -0.179 1.00 0.27 ? 2 DA A C5 3 +ATOM 1339 C C6 . DA A 1 2 ? 0.848 10.743 1.068 1.00 0.33 ? 2 DA A C6 3 +ATOM 1340 N N6 . DA A 1 2 ? -0.465 10.887 1.217 1.00 0.37 ? 2 DA A N6 3 +ATOM 1341 N N1 . DA A 1 2 ? 1.638 10.726 2.147 1.00 0.37 ? 2 DA A N1 3 +ATOM 1342 C C2 . DA A 1 2 ? 2.952 10.588 1.997 1.00 0.37 ? 2 DA A C2 3 +ATOM 1343 N N3 . DA A 1 2 ? 3.643 10.455 0.876 1.00 0.32 ? 2 DA A N3 3 +ATOM 1344 C C4 . DA A 1 2 ? 2.820 10.475 -0.194 1.00 0.27 ? 2 DA A C4 3 +ATOM 1345 H "H5'" . DA A 1 2 ? 3.985 13.386 -4.016 1.00 0.40 ? 2 DA A "H5'" 3 +ATOM 1346 H "H5''" . DA A 1 2 ? 4.427 12.604 -5.540 1.00 0.30 ? 2 DA A "H5''" 3 +ATOM 1347 H "H4'" . DA A 1 2 ? 6.143 12.191 -3.966 1.00 0.36 ? 2 DA A "H4'" 3 +ATOM 1348 H "H3'" . DA A 1 2 ? 5.039 10.156 -5.326 1.00 0.26 ? 2 DA A "H3'" 3 +ATOM 1349 H "H2'" . DA A 1 2 ? 3.684 9.119 -3.753 1.00 0.26 ? 2 DA A "H2'" 3 +ATOM 1350 H "H2''" . DA A 1 2 ? 5.139 8.470 -3.093 1.00 0.27 ? 2 DA A "H2''" 3 +ATOM 1351 H "H1'" . DA A 1 2 ? 5.272 9.666 -1.418 1.00 0.27 ? 2 DA A "H1'" 3 +ATOM 1352 H H8 . DA A 1 2 ? 1.925 10.404 -3.264 1.00 0.29 ? 2 DA A H8 3 +ATOM 1353 H H61 . DA A 1 2 ? -0.879 10.974 2.139 1.00 0.37 ? 2 DA A H61 3 +ATOM 1354 H H62 . DA A 1 2 ? -1.049 10.911 0.394 1.00 0.43 ? 2 DA A H62 3 +ATOM 1355 H H2 . DA A 1 2 ? 3.543 10.583 2.913 1.00 0.46 ? 2 DA A H2 3 +ATOM 1356 P P . DC A 1 3 ? 7.411 8.503 -4.685 1.00 0.33 ? 3 DC A P 3 +ATOM 1357 O OP1 . DC A 1 3 ? 8.887 8.590 -4.742 1.00 0.44 ? 3 DC A OP1 3 +ATOM 1358 O OP2 . DC A 1 3 ? 6.652 7.933 -5.820 1.00 0.45 ? 3 DC A OP2 3 +ATOM 1359 O "O5'" . DC A 1 3 ? 6.983 7.702 -3.362 1.00 0.29 ? 3 DC A "O5'" 3 +ATOM 1360 C "C5'" . DC A 1 3 ? 7.472 8.107 -2.084 1.00 0.30 ? 3 DC A "C5'" 3 +ATOM 1361 C "C4'" . DC A 1 3 ? 6.803 7.377 -0.951 1.00 0.33 ? 3 DC A "C4'" 3 +ATOM 1362 O "O4'" . DC A 1 3 ? 5.548 7.902 -0.579 1.00 0.33 ? 3 DC A "O4'" 3 +ATOM 1363 C "C3'" . DC A 1 3 ? 6.758 5.908 -0.921 1.00 0.39 ? 3 DC A "C3'" 3 +ATOM 1364 O "O3'" . DC A 1 3 ? 8.005 5.352 -0.513 1.00 0.52 ? 3 DC A "O3'" 3 +ATOM 1365 C "C2'" . DC A 1 3 ? 5.535 5.593 -0.062 1.00 0.41 ? 3 DC A "C2'" 3 +ATOM 1366 C "C1'" . DC A 1 3 ? 4.956 6.959 0.302 1.00 0.35 ? 3 DC A "C1'" 3 +ATOM 1367 N N1 . DC A 1 3 ? 3.520 7.120 0.002 1.00 0.31 ? 3 DC A N1 3 +ATOM 1368 C C2 . DC A 1 3 ? 2.680 7.491 1.022 1.00 0.33 ? 3 DC A C2 3 +ATOM 1369 O O2 . DC A 1 3 ? 3.116 7.681 2.147 1.00 0.39 ? 3 DC A O2 3 +ATOM 1370 N N3 . DC A 1 3 ? 1.364 7.656 0.765 1.00 0.30 ? 3 DC A N3 3 +ATOM 1371 C C4 . DC A 1 3 ? 0.882 7.464 -0.459 1.00 0.29 ? 3 DC A C4 3 +ATOM 1372 N N4 . DC A 1 3 ? -0.427 7.626 -0.624 1.00 0.29 ? 3 DC A N4 3 +ATOM 1373 C C5 . DC A 1 3 ? 1.737 7.080 -1.545 1.00 0.31 ? 3 DC A C5 3 +ATOM 1374 C C6 . DC A 1 3 ? 3.052 6.919 -1.262 1.00 0.30 ? 3 DC A C6 3 +ATOM 1375 H "H5'" . DC A 1 3 ? 7.221 9.153 -1.904 1.00 0.36 ? 3 DC A "H5'" 3 +ATOM 1376 H "H5''" . DC A 1 3 ? 8.550 7.959 -2.023 1.00 0.35 ? 3 DC A "H5''" 3 +ATOM 1377 H "H4'" . DC A 1 3 ? 7.586 7.272 -0.200 1.00 0.39 ? 3 DC A "H4'" 3 +ATOM 1378 H "H3'" . DC A 1 3 ? 6.652 5.877 -2.005 1.00 0.37 ? 3 DC A "H3'" 3 +ATOM 1379 H "H2'" . DC A 1 3 ? 4.822 4.993 -0.628 1.00 0.44 ? 3 DC A "H2'" 3 +ATOM 1380 H "H2''" . DC A 1 3 ? 5.783 5.053 0.852 1.00 0.46 ? 3 DC A "H2''" 3 +ATOM 1381 H "H1'" . DC A 1 3 ? 5.245 7.180 1.330 1.00 0.42 ? 3 DC A "H1'" 3 +ATOM 1382 H H41 . DC A 1 3 ? -1.001 7.802 0.191 1.00 0.33 ? 3 DC A H41 3 +ATOM 1383 H H42 . DC A 1 3 ? -0.850 7.574 -1.538 1.00 0.34 ? 3 DC A H42 3 +ATOM 1384 H H5 . DC A 1 3 ? 1.314 6.941 -2.540 1.00 0.35 ? 3 DC A H5 3 +ATOM 1385 H H6 . DC A 1 3 ? 3.805 6.627 -1.995 1.00 0.32 ? 3 DC A H6 3 +ATOM 1386 P P . DA A 1 4 ? 8.344 3.799 -0.760 1.00 0.69 ? 4 DA A P 3 +ATOM 1387 O OP1 . DA A 1 4 ? 9.797 3.667 -1.014 1.00 0.84 ? 4 DA A OP1 3 +ATOM 1388 O OP2 . DA A 1 4 ? 7.368 3.230 -1.716 1.00 0.77 ? 4 DA A OP2 3 +ATOM 1389 O "O5'" . DA A 1 4 ? 8.020 3.198 0.681 1.00 0.70 ? 4 DA A "O5'" 3 +ATOM 1390 C "C5'" . DA A 1 4 ? 8.836 3.537 1.805 1.00 0.67 ? 4 DA A "C5'" 3 +ATOM 1391 C "C4'" . DA A 1 4 ? 8.301 2.900 3.066 1.00 0.56 ? 4 DA A "C4'" 3 +ATOM 1392 O "O4'" . DA A 1 4 ? 6.996 3.419 3.354 1.00 0.58 ? 4 DA A "O4'" 3 +ATOM 1393 C "C3'" . DA A 1 4 ? 8.244 1.393 2.954 1.00 0.53 ? 4 DA A "C3'" 3 +ATOM 1394 O "O3'" . DA A 1 4 ? 9.432 0.841 3.526 1.00 0.61 ? 4 DA A "O3'" 3 +ATOM 1395 C "C2'" . DA A 1 4 ? 7.028 1.110 3.828 1.00 0.50 ? 4 DA A "C2'" 3 +ATOM 1396 C "C1'" . DA A 1 4 ? 6.153 2.345 3.755 1.00 0.49 ? 4 DA A "C1'" 3 +ATOM 1397 N N9 . DA A 1 4 ? 4.993 2.192 2.871 1.00 0.44 ? 4 DA A N9 3 +ATOM 1398 C C8 . DA A 1 4 ? 4.931 2.155 1.512 1.00 0.46 ? 4 DA A C8 3 +ATOM 1399 N N7 . DA A 1 4 ? 3.739 1.979 1.010 1.00 0.46 ? 4 DA A N7 3 +ATOM 1400 C C5 . DA A 1 4 ? 2.938 1.898 2.158 1.00 0.42 ? 4 DA A C5 3 +ATOM 1401 C C6 . DA A 1 4 ? 1.559 1.715 2.360 1.00 0.42 ? 4 DA A C6 3 +ATOM 1402 N N6 . DA A 1 4 ? 0.677 1.558 1.382 1.00 0.47 ? 4 DA A N6 3 +ATOM 1403 N N1 . DA A 1 4 ? 1.108 1.687 3.622 1.00 0.43 ? 4 DA A N1 3 +ATOM 1404 C C2 . DA A 1 4 ? 1.960 1.829 4.628 1.00 0.44 ? 4 DA A C2 3 +ATOM 1405 N N3 . DA A 1 4 ? 3.270 2.002 4.569 1.00 0.43 ? 4 DA A N3 3 +ATOM 1406 C C4 . DA A 1 4 ? 3.699 2.028 3.287 1.00 0.41 ? 4 DA A C4 3 +ATOM 1407 H "H5'" . DA A 1 4 ? 8.828 4.616 1.962 1.00 0.74 ? 4 DA A "H5'" 3 +ATOM 1408 H "H5''" . DA A 1 4 ? 9.854 3.195 1.618 1.00 0.71 ? 4 DA A "H5''" 3 +ATOM 1409 H "H4'" . DA A 1 4 ? 8.978 3.117 3.892 1.00 0.58 ? 4 DA A "H4'" 3 +ATOM 1410 H "H3'" . DA A 1 4 ? 8.167 1.158 1.893 1.00 0.53 ? 4 DA A "H3'" 3 +ATOM 1411 H "H2'" . DA A 1 4 ? 6.413 0.243 3.586 1.00 0.52 ? 4 DA A "H2'" 3 +ATOM 1412 H "H2''" . DA A 1 4 ? 7.373 0.945 4.850 1.00 0.53 ? 4 DA A "H2''" 3 +ATOM 1413 H "H1'" . DA A 1 4 ? 5.789 2.554 4.761 1.00 0.54 ? 4 DA A "H1'" 3 +ATOM 1414 H H8 . DA A 1 4 ? 5.829 2.281 0.905 1.00 0.50 ? 4 DA A H8 3 +ATOM 1415 H H61 . DA A 1 4 ? -0.285 1.345 1.618 1.00 0.50 ? 4 DA A H61 3 +ATOM 1416 H H62 . DA A 1 4 ? 0.972 1.651 0.421 1.00 0.51 ? 4 DA A H62 3 +ATOM 1417 H H2 . DA A 1 4 ? 1.518 1.810 5.625 1.00 0.48 ? 4 DA A H2 3 +ATOM 1418 P P . DT A 1 5 ? 9.928 -0.660 3.221 1.00 0.59 ? 5 DT A P 3 +ATOM 1419 O OP1 . DT A 1 5 ? 11.347 -0.759 3.631 1.00 0.69 ? 5 DT A OP1 3 +ATOM 1420 O OP2 . DT A 1 5 ? 9.531 -1.015 1.840 1.00 0.76 ? 5 DT A OP2 3 +ATOM 1421 O "O5'" . DT A 1 5 ? 9.052 -1.573 4.208 1.00 0.39 ? 5 DT A "O5'" 3 +ATOM 1422 C "C5'" . DT A 1 5 ? 9.133 -1.425 5.628 1.00 0.34 ? 5 DT A "C5'" 3 +ATOM 1423 C "C4'" . DT A 1 5 ? 7.976 -2.109 6.316 1.00 0.34 ? 5 DT A "C4'" 3 +ATOM 1424 O "O4'" . DT A 1 5 ? 6.752 -1.542 5.807 1.00 0.36 ? 5 DT A "O4'" 3 +ATOM 1425 C "C3'" . DT A 1 5 ? 7.937 -3.631 6.129 1.00 0.37 ? 5 DT A "C3'" 3 +ATOM 1426 O "O3'" . DT A 1 5 ? 7.723 -4.334 7.362 1.00 0.35 ? 5 DT A "O3'" 3 +ATOM 1427 C "C2'" . DT A 1 5 ? 6.729 -3.793 5.225 1.00 0.43 ? 5 DT A "C2'" 3 +ATOM 1428 C "C1'" . DT A 1 5 ? 5.838 -2.611 5.590 1.00 0.39 ? 5 DT A "C1'" 3 +ATOM 1429 N N1 . DT A 1 5 ? 4.895 -2.280 4.493 1.00 0.36 ? 5 DT A N1 3 +ATOM 1430 C C2 . DT A 1 5 ? 3.540 -2.263 4.773 1.00 0.32 ? 5 DT A C2 3 +ATOM 1431 O O2 . DT A 1 5 ? 3.048 -2.454 5.881 1.00 0.29 ? 5 DT A O2 3 +ATOM 1432 N N3 . DT A 1 5 ? 2.718 -1.992 3.715 1.00 0.31 ? 5 DT A N3 3 +ATOM 1433 C C4 . DT A 1 5 ? 3.089 -1.731 2.427 1.00 0.35 ? 5 DT A C4 3 +ATOM 1434 O O4 . DT A 1 5 ? 2.213 -1.532 1.592 1.00 0.34 ? 5 DT A O4 3 +ATOM 1435 C C5 . DT A 1 5 ? 4.511 -1.752 2.209 1.00 0.38 ? 5 DT A C5 3 +ATOM 1436 C C7 . DT A 1 5 ? 5.072 -1.434 0.827 1.00 0.42 ? 5 DT A C7 3 +ATOM 1437 C C6 . DT A 1 5 ? 5.351 -2.023 3.222 1.00 0.38 ? 5 DT A C6 3 +ATOM 1438 H "H5'" . DT A 1 5 ? 9.066 -0.369 5.888 1.00 0.40 ? 5 DT A "H5'" 3 +ATOM 1439 H "H5''" . DT A 1 5 ? 10.067 -1.850 5.996 1.00 0.39 ? 5 DT A "H5''" 3 +ATOM 1440 H "H4'" . DT A 1 5 ? 8.060 -1.930 7.388 1.00 0.37 ? 5 DT A "H4'" 3 +ATOM 1441 H "H3'" . DT A 1 5 ? 8.894 -3.958 5.722 1.00 0.45 ? 5 DT A "H3'" 3 +ATOM 1442 H "H2'" . DT A 1 5 ? 7.032 -3.697 4.182 1.00 0.47 ? 5 DT A "H2'" 3 +ATOM 1443 H "H2''" . DT A 1 5 ? 6.221 -4.747 5.364 1.00 0.48 ? 5 DT A "H2''" 3 +ATOM 1444 H "H1'" . DT A 1 5 ? 5.346 -2.814 6.542 1.00 0.43 ? 5 DT A "H1'" 3 +ATOM 1445 H H3 . DT A 1 5 ? 1.730 -1.989 3.893 1.00 0.30 ? 5 DT A H3 3 +ATOM 1446 H H71 . DT A 1 5 ? 4.261 -1.305 0.111 1.00 0.44 ? 5 DT A H71 3 +ATOM 1447 H H72 . DT A 1 5 ? 5.644 -0.509 0.892 1.00 0.48 ? 5 DT A H72 3 +ATOM 1448 H H73 . DT A 1 5 ? 5.734 -2.237 0.500 1.00 0.49 ? 5 DT A H73 3 +ATOM 1449 H H6 . DT A 1 5 ? 6.421 -2.046 3.013 1.00 0.42 ? 5 DT A H6 3 +ATOM 1450 P P . DG A 1 6 ? 7.887 -5.944 7.412 1.00 0.43 ? 6 DG A P 3 +ATOM 1451 O OP1 . DG A 1 6 ? 9.326 -6.253 7.258 1.00 0.48 ? 6 DG A OP1 3 +ATOM 1452 O OP2 . DG A 1 6 ? 6.908 -6.540 6.481 1.00 0.46 ? 6 DG A OP2 3 +ATOM 1453 O "O5'" . DG A 1 6 ? 7.487 -6.355 8.911 1.00 0.45 ? 6 DG A "O5'" 3 +ATOM 1454 C "C5'" . DG A 1 6 ? 6.305 -5.916 9.591 1.00 0.43 ? 6 DG A "C5'" 3 +ATOM 1455 C "C4'" . DG A 1 6 ? 5.059 -6.774 9.353 1.00 0.35 ? 6 DG A "C4'" 3 +ATOM 1456 O "O4'" . DG A 1 6 ? 4.374 -6.623 8.083 1.00 0.30 ? 6 DG A "O4'" 3 +ATOM 1457 C "C3'" . DG A 1 6 ? 5.294 -8.276 9.549 1.00 0.36 ? 6 DG A "C3'" 3 +ATOM 1458 O "O3'" . DG A 1 6 ? 4.252 -8.927 10.304 1.00 0.36 ? 6 DG A "O3'" 3 +ATOM 1459 C "C2'" . DG A 1 6 ? 5.203 -8.754 8.122 1.00 0.33 ? 6 DG A "C2'" 3 +ATOM 1460 C "C1'" . DG A 1 6 ? 4.050 -7.936 7.579 1.00 0.28 ? 6 DG A "C1'" 3 +ATOM 1461 N N9 . DG A 1 6 ? 3.946 -7.971 6.117 1.00 0.28 ? 6 DG A N9 3 +ATOM 1462 C C8 . DG A 1 6 ? 4.898 -7.820 5.172 1.00 0.35 ? 6 DG A C8 3 +ATOM 1463 N N7 . DG A 1 6 ? 4.509 -7.902 3.928 1.00 0.35 ? 6 DG A N7 3 +ATOM 1464 C C5 . DG A 1 6 ? 3.138 -8.132 4.082 1.00 0.27 ? 6 DG A C5 3 +ATOM 1465 C C6 . DG A 1 6 ? 2.117 -8.316 3.112 1.00 0.25 ? 6 DG A C6 3 +ATOM 1466 O O6 . DG A 1 6 ? 2.176 -8.323 1.887 1.00 0.31 ? 6 DG A O6 3 +ATOM 1467 N N1 . DG A 1 6 ? 0.894 -8.510 3.697 1.00 0.24 ? 6 DG A N1 3 +ATOM 1468 C C2 . DG A 1 6 ? 0.662 -8.535 5.053 1.00 0.24 ? 6 DG A C2 3 +ATOM 1469 N N2 . DG A 1 6 ? -0.557 -8.744 5.488 1.00 0.28 ? 6 DG A N2 3 +ATOM 1470 N N3 . DG A 1 6 ? 1.593 -8.370 5.970 1.00 0.23 ? 6 DG A N3 3 +ATOM 1471 C C4 . DG A 1 6 ? 2.803 -8.172 5.415 1.00 0.24 ? 6 DG A C4 3 +ATOM 1472 H "H5'" . DG A 1 6 ? 6.071 -4.891 9.302 1.00 0.46 ? 6 DG A "H5'" 3 +ATOM 1473 H "H5''" . DG A 1 6 ? 6.525 -5.910 10.659 1.00 0.50 ? 6 DG A "H5''" 3 +ATOM 1474 H "H4'" . DG A 1 6 ? 4.413 -6.453 10.170 1.00 0.36 ? 6 DG A "H4'" 3 +ATOM 1475 H "H3'" . DG A 1 6 ? 6.285 -8.447 9.971 1.00 0.45 ? 6 DG A "H3'" 3 +ATOM 1476 H "H2'" . DG A 1 6 ? 6.122 -8.527 7.582 1.00 0.40 ? 6 DG A "H2'" 3 +ATOM 1477 H "H2''" . DG A 1 6 ? 5.046 -9.829 8.037 1.00 0.31 ? 6 DG A "H2''" 3 +ATOM 1478 H "H1'" . DG A 1 6 ? 3.103 -8.323 7.954 1.00 0.26 ? 6 DG A "H1'" 3 +ATOM 1479 H H8 . DG A 1 6 ? 5.920 -7.624 5.501 1.00 0.43 ? 6 DG A H8 3 +ATOM 1480 H H1 . DG A 1 6 ? 0.143 -8.613 3.028 1.00 0.26 ? 6 DG A H1 3 +ATOM 1481 H H21 . DG A 1 6 ? -1.330 -8.764 4.838 1.00 0.30 ? 6 DG A H21 3 +ATOM 1482 H H22 . DG A 1 6 ? -0.696 -8.885 6.475 1.00 0.34 ? 6 DG A H22 3 +ATOM 1483 P P . DT A 1 7 ? 3.721 -8.469 11.764 1.00 0.38 ? 7 DT A P 3 +ATOM 1484 O OP1 . DT A 1 7 ? 2.810 -7.306 11.581 1.00 0.38 ? 7 DT A OP1 3 +ATOM 1485 O OP2 . DT A 1 7 ? 4.884 -8.362 12.672 1.00 0.45 ? 7 DT A OP2 3 +ATOM 1486 O "O5'" . DT A 1 7 ? 2.829 -9.720 12.262 1.00 0.34 ? 7 DT A "O5'" 3 +ATOM 1487 C "C5'" . DT A 1 7 ? 1.393 -9.696 12.252 1.00 0.32 ? 7 DT A "C5'" 3 +ATOM 1488 C "C4'" . DT A 1 7 ? 0.765 -10.610 11.205 1.00 0.33 ? 7 DT A "C4'" 3 +ATOM 1489 O "O4'" . DT A 1 7 ? 1.122 -10.309 9.834 1.00 0.35 ? 7 DT A "O4'" 3 +ATOM 1490 C "C3'" . DT A 1 7 ? 1.078 -12.102 11.408 1.00 0.31 ? 7 DT A "C3'" 3 +ATOM 1491 O "O3'" . DT A 1 7 ? -0.117 -12.853 11.578 1.00 0.34 ? 7 DT A "O3'" 3 +ATOM 1492 C "C2'" . DT A 1 7 ? 1.594 -12.509 10.046 1.00 0.22 ? 7 DT A "C2'" 3 +ATOM 1493 C "C1'" . DT A 1 7 ? 0.919 -11.530 9.115 1.00 0.26 ? 7 DT A "C1'" 3 +ATOM 1494 N N1 . DT A 1 7 ? 1.456 -11.530 7.735 1.00 0.26 ? 7 DT A N1 3 +ATOM 1495 C C2 . DT A 1 7 ? 0.524 -11.455 6.718 1.00 0.29 ? 7 DT A C2 3 +ATOM 1496 O O2 . DT A 1 7 ? -0.686 -11.376 6.902 1.00 0.31 ? 7 DT A O2 3 +ATOM 1497 N N3 . DT A 1 7 ? 1.009 -11.468 5.446 1.00 0.35 ? 7 DT A N3 3 +ATOM 1498 C C4 . DT A 1 7 ? 2.320 -11.546 5.075 1.00 0.37 ? 7 DT A C4 3 +ATOM 1499 O O4 . DT A 1 7 ? 2.591 -11.538 3.879 1.00 0.42 ? 7 DT A O4 3 +ATOM 1500 C C5 . DT A 1 7 ? 3.248 -11.623 6.179 1.00 0.33 ? 7 DT A C5 3 +ATOM 1501 C C7 . DT A 1 7 ? 4.749 -11.733 5.885 1.00 0.39 ? 7 DT A C7 3 +ATOM 1502 C C6 . DT A 1 7 ? 2.800 -11.611 7.454 1.00 0.30 ? 7 DT A C6 3 +ATOM 1503 H "H5'" . DT A 1 7 ? 1.048 -8.679 12.065 1.00 0.37 ? 7 DT A "H5'" 3 +ATOM 1504 H "H5''" . DT A 1 7 ? 1.027 -10.005 13.230 1.00 0.36 ? 7 DT A "H5''" 3 +ATOM 1505 H "H4'" . DT A 1 7 ? -0.311 -10.488 11.330 1.00 0.39 ? 7 DT A "H4'" 3 +ATOM 1506 H "H3'" . DT A 1 7 ? 1.766 -12.260 12.240 1.00 0.40 ? 7 DT A "H3'" 3 +ATOM 1507 H "H2'" . DT A 1 7 ? 2.678 -12.417 9.982 1.00 0.30 ? 7 DT A "H2'" 3 +ATOM 1508 H "H2''" . DT A 1 7 ? 1.298 -13.522 9.775 1.00 0.18 ? 7 DT A "H2''" 3 +ATOM 1509 H "H1'" . DT A 1 7 ? -0.141 -11.776 9.056 1.00 0.27 ? 7 DT A "H1'" 3 +ATOM 1510 H H3 . DT A 1 7 ? 0.314 -11.413 4.718 1.00 0.39 ? 7 DT A H3 3 +ATOM 1511 H H71 . DT A 1 7 ? 5.137 -12.628 6.372 1.00 0.49 ? 7 DT A H71 3 +ATOM 1512 H H72 . DT A 1 7 ? 4.929 -11.823 4.814 1.00 0.44 ? 7 DT A H72 3 +ATOM 1513 H H73 . DT A 1 7 ? 5.291 -10.864 6.254 1.00 0.48 ? 7 DT A H73 3 +ATOM 1514 H H6 . DT A 1 7 ? 3.529 -11.658 8.264 1.00 0.32 ? 7 DT A H6 3 +ATOM 1515 P P . DC A 1 8 ? -0.894 -12.976 12.969 1.00 0.59 ? 8 DC A P 3 +ATOM 1516 O OP1 . DC A 1 8 ? -1.241 -11.622 13.460 1.00 0.83 ? 8 DC A OP1 3 +ATOM 1517 O OP2 . DC A 1 8 ? -0.163 -13.925 13.837 1.00 0.64 ? 8 DC A OP2 3 +ATOM 1518 O "O5'" . DC A 1 8 ? -2.226 -13.701 12.438 1.00 0.79 ? 8 DC A "O5'" 3 +ATOM 1519 C "C5'" . DC A 1 8 ? -3.248 -13.014 11.701 1.00 0.88 ? 8 DC A "C5'" 3 +ATOM 1520 C "C4'" . DC A 1 8 ? -3.410 -13.525 10.271 1.00 0.77 ? 8 DC A "C4'" 3 +ATOM 1521 O "O4'" . DC A 1 8 ? -2.298 -13.287 9.397 1.00 0.50 ? 8 DC A "O4'" 3 +ATOM 1522 C "C3'" . DC A 1 8 ? -3.555 -15.033 10.244 1.00 0.87 ? 8 DC A "C3'" 3 +ATOM 1523 O "O3'" . DC A 1 8 ? -4.862 -15.515 10.530 1.00 1.20 ? 8 DC A "O3'" 3 +ATOM 1524 C "C2'" . DC A 1 8 ? -3.169 -15.374 8.815 1.00 0.75 ? 8 DC A "C2'" 3 +ATOM 1525 C "C1'" . DC A 1 8 ? -2.528 -14.143 8.262 1.00 0.50 ? 8 DC A "C1'" 3 +ATOM 1526 N N1 . DC A 1 8 ? -1.287 -14.492 7.573 1.00 0.38 ? 8 DC A N1 3 +ATOM 1527 C C2 . DC A 1 8 ? -1.202 -14.238 6.216 1.00 0.41 ? 8 DC A C2 3 +ATOM 1528 O O2 . DC A 1 8 ? -2.131 -13.756 5.572 1.00 0.41 ? 8 DC A O2 3 +ATOM 1529 N N3 . DC A 1 8 ? -0.055 -14.555 5.587 1.00 0.58 ? 8 DC A N3 3 +ATOM 1530 C C4 . DC A 1 8 ? 0.956 -15.097 6.259 1.00 0.64 ? 8 DC A C4 3 +ATOM 1531 N N4 . DC A 1 8 ? 2.048 -15.379 5.582 1.00 0.84 ? 8 DC A N4 3 +ATOM 1532 C C5 . DC A 1 8 ? 0.888 -15.370 7.655 1.00 0.52 ? 8 DC A C5 3 +ATOM 1533 C C6 . DC A 1 8 ? -0.260 -15.047 8.269 1.00 0.40 ? 8 DC A C6 3 +ATOM 1534 H "H5'" . DC A 1 8 ? -3.062 -11.940 11.679 1.00 0.88 ? 8 DC A "H5'" 3 +ATOM 1535 H "H5''" . DC A 1 8 ? -4.184 -13.184 12.232 1.00 1.11 ? 8 DC A "H5''" 3 +ATOM 1536 H "H4'" . DC A 1 8 ? -4.322 -13.064 9.892 1.00 0.88 ? 8 DC A "H4'" 3 +ATOM 1537 H "H3'" . DC A 1 8 ? -2.834 -15.400 10.974 1.00 0.83 ? 8 DC A "H3'" 3 +ATOM 1538 H "HO3'" . DC A 1 8 ? -5.056 -15.240 11.426 1.00 1.32 ? 8 DC A "HO3'" 3 +ATOM 1539 H "H2'" . DC A 1 8 ? -2.442 -16.185 8.797 1.00 0.76 ? 8 DC A "H2'" 3 +ATOM 1540 H "H2''" . DC A 1 8 ? -4.002 -15.562 8.136 1.00 0.86 ? 8 DC A "H2''" 3 +ATOM 1541 H "H1'" . DC A 1 8 ? -3.249 -13.779 7.530 1.00 0.60 ? 8 DC A "H1'" 3 +ATOM 1542 H H41 . DC A 1 8 ? 2.044 -15.204 4.584 1.00 0.90 ? 8 DC A H41 3 +ATOM 1543 H H42 . DC A 1 8 ? 2.853 -15.758 6.052 1.00 0.95 ? 8 DC A H42 3 +ATOM 1544 H H5 . DC A 1 8 ? 1.713 -15.824 8.205 1.00 0.59 ? 8 DC A H5 3 +ATOM 1545 H H6 . DC A 1 8 ? -0.390 -15.229 9.336 1.00 0.41 ? 8 DC A H6 3 +ATOM 1546 O "O5'" . DG B 1 1 ? 0.429 -15.446 -5.010 1.00 0.65 ? 1 DG B "O5'" 3 +ATOM 1547 C "C5'" . DG B 1 1 ? -0.864 -15.964 -5.329 1.00 0.58 ? 1 DG B "C5'" 3 +ATOM 1548 C "C4'" . DG B 1 1 ? -1.943 -15.421 -4.379 1.00 0.46 ? 1 DG B "C4'" 3 +ATOM 1549 O "O4'" . DG B 1 1 ? -1.691 -15.825 -3.020 1.00 0.52 ? 1 DG B "O4'" 3 +ATOM 1550 C "C3'" . DG B 1 1 ? -2.115 -13.908 -4.409 1.00 0.38 ? 1 DG B "C3'" 3 +ATOM 1551 O "O3'" . DG B 1 1 ? -3.516 -13.597 -4.391 1.00 0.36 ? 1 DG B "O3'" 3 +ATOM 1552 C "C2'" . DG B 1 1 ? -1.363 -13.548 -3.132 1.00 0.42 ? 1 DG B "C2'" 3 +ATOM 1553 C "C1'" . DG B 1 1 ? -1.725 -14.664 -2.186 1.00 0.44 ? 1 DG B "C1'" 3 +ATOM 1554 N N9 . DG B 1 1 ? -0.684 -14.813 -1.159 1.00 0.47 ? 1 DG B N9 3 +ATOM 1555 C C8 . DG B 1 1 ? 0.629 -15.112 -1.331 1.00 0.52 ? 1 DG B C8 3 +ATOM 1556 N N7 . DG B 1 1 ? 1.343 -15.220 -0.251 1.00 0.57 ? 1 DG B N7 3 +ATOM 1557 C C5 . DG B 1 1 ? 0.400 -14.963 0.748 1.00 0.54 ? 1 DG B C5 3 +ATOM 1558 C C6 . DG B 1 1 ? 0.542 -14.928 2.163 1.00 0.57 ? 1 DG B C6 3 +ATOM 1559 O O6 . DG B 1 1 ? 1.526 -15.123 2.873 1.00 0.64 ? 1 DG B O6 3 +ATOM 1560 N N1 . DG B 1 1 ? -0.641 -14.633 2.784 1.00 0.55 ? 1 DG B N1 3 +ATOM 1561 C C2 . DG B 1 1 ? -1.829 -14.395 2.146 1.00 0.52 ? 1 DG B C2 3 +ATOM 1562 N N2 . DG B 1 1 ? -2.861 -14.108 2.911 1.00 0.52 ? 1 DG B N2 3 +ATOM 1563 N N3 . DG B 1 1 ? -1.991 -14.424 0.831 1.00 0.49 ? 1 DG B N3 3 +ATOM 1564 C C4 . DG B 1 1 ? -0.835 -14.713 0.195 1.00 0.49 ? 1 DG B C4 3 +ATOM 1565 H "H5'" . DG B 1 1 ? -0.832 -17.047 -5.202 1.00 0.68 ? 1 DG B "H5'" 3 +ATOM 1566 H "H5''" . DG B 1 1 ? -1.079 -15.736 -6.373 1.00 0.58 ? 1 DG B "H5''" 3 +ATOM 1567 H "H4'" . DG B 1 1 ? -2.941 -15.783 -4.621 1.00 0.48 ? 1 DG B "H4'" 3 +ATOM 1568 H "H3'" . DG B 1 1 ? -1.737 -13.549 -5.366 1.00 0.41 ? 1 DG B "H3'" 3 +ATOM 1569 H "H2'" . DG B 1 1 ? -0.294 -13.601 -3.339 1.00 0.46 ? 1 DG B "H2'" 3 +ATOM 1570 H "H2''" . DG B 1 1 ? -1.611 -12.601 -2.652 1.00 0.45 ? 1 DG B "H2''" 3 +ATOM 1571 H "H1'" . DG B 1 1 ? -2.734 -14.548 -1.790 1.00 0.46 ? 1 DG B "H1'" 3 +ATOM 1572 H H8 . DG B 1 1 ? 1.030 -15.246 -2.337 1.00 0.54 ? 1 DG B H8 3 +ATOM 1573 H H1 . DG B 1 1 ? -0.565 -14.604 3.791 1.00 0.57 ? 1 DG B H1 3 +ATOM 1574 H H21 . DG B 1 1 ? -2.735 -14.097 3.914 1.00 0.53 ? 1 DG B H21 3 +ATOM 1575 H H22 . DG B 1 1 ? -3.745 -13.899 2.471 1.00 0.56 ? 1 DG B H22 3 +ATOM 1576 H "HO5'" . DG B 1 1 ? 0.499 -15.511 -4.058 1.00 0.70 ? 1 DG B "HO5'" 3 +ATOM 1577 P P . DA B 1 2 ? -4.178 -12.233 -3.832 1.00 0.35 ? 2 DA B P 3 +ATOM 1578 O OP1 . DA B 1 2 ? -5.502 -12.068 -4.473 1.00 0.37 ? 2 DA B OP1 3 +ATOM 1579 O OP2 . DA B 1 2 ? -3.181 -11.141 -3.898 1.00 0.41 ? 2 DA B OP2 3 +ATOM 1580 O "O5'" . DA B 1 2 ? -4.388 -12.606 -2.278 1.00 0.41 ? 2 DA B "O5'" 3 +ATOM 1581 C "C5'" . DA B 1 2 ? -5.532 -13.337 -1.813 1.00 0.35 ? 2 DA B "C5'" 3 +ATOM 1582 C "C4'" . DA B 1 2 ? -6.346 -12.556 -0.775 1.00 0.33 ? 2 DA B "C4'" 3 +ATOM 1583 O "O4'" . DA B 1 2 ? -5.698 -12.366 0.495 1.00 0.35 ? 2 DA B "O4'" 3 +ATOM 1584 C "C3'" . DA B 1 2 ? -6.789 -11.183 -1.242 1.00 0.36 ? 2 DA B "C3'" 3 +ATOM 1585 O "O3'" . DA B 1 2 ? -8.128 -10.923 -0.805 1.00 0.39 ? 2 DA B "O3'" 3 +ATOM 1586 C "C2'" . DA B 1 2 ? -5.740 -10.282 -0.624 1.00 0.36 ? 2 DA B "C2'" 3 +ATOM 1587 C "C1'" . DA B 1 2 ? -5.195 -11.019 0.582 1.00 0.34 ? 2 DA B "C1'" 3 +ATOM 1588 N N9 . DA B 1 2 ? -3.710 -11.115 0.613 1.00 0.33 ? 2 DA B N9 3 +ATOM 1589 C C8 . DA B 1 2 ? -2.826 -11.201 -0.422 1.00 0.35 ? 2 DA B C8 3 +ATOM 1590 N N7 . DA B 1 2 ? -1.569 -11.292 -0.126 1.00 0.37 ? 2 DA B N7 3 +ATOM 1591 C C5 . DA B 1 2 ? -1.612 -11.265 1.263 1.00 0.35 ? 2 DA B C5 3 +ATOM 1592 C C6 . DA B 1 2 ? -0.605 -11.326 2.226 1.00 0.39 ? 2 DA B C6 3 +ATOM 1593 N N6 . DA B 1 2 ? 0.682 -11.436 1.917 1.00 0.43 ? 2 DA B N6 3 +ATOM 1594 N N1 . DA B 1 2 ? -0.974 -11.276 3.510 1.00 0.44 ? 2 DA B N1 3 +ATOM 1595 C C2 . DA B 1 2 ? -2.263 -11.171 3.822 1.00 0.42 ? 2 DA B C2 3 +ATOM 1596 N N3 . DA B 1 2 ? -3.303 -11.105 3.007 1.00 0.37 ? 2 DA B N3 3 +ATOM 1597 C C4 . DA B 1 2 ? -2.902 -11.158 1.721 1.00 0.33 ? 2 DA B C4 3 +ATOM 1598 H "H5'" . DA B 1 2 ? -5.208 -14.271 -1.354 1.00 0.40 ? 2 DA B "H5'" 3 +ATOM 1599 H "H5''" . DA B 1 2 ? -6.178 -13.574 -2.659 1.00 0.32 ? 2 DA B "H5''" 3 +ATOM 1600 H "H4'" . DA B 1 2 ? -7.263 -13.120 -0.599 1.00 0.36 ? 2 DA B "H4'" 3 +ATOM 1601 H "H3'" . DA B 1 2 ? -6.764 -11.130 -2.330 1.00 0.41 ? 2 DA B "H3'" 3 +ATOM 1602 H "H2'" . DA B 1 2 ? -4.999 -9.981 -1.363 1.00 0.37 ? 2 DA B "H2'" 3 +ATOM 1603 H "H2''" . DA B 1 2 ? -6.154 -9.343 -0.255 1.00 0.40 ? 2 DA B "H2''" 3 +ATOM 1604 H "H1'" . DA B 1 2 ? -5.654 -10.461 1.398 1.00 0.35 ? 2 DA B "H1'" 3 +ATOM 1605 H H8 . DA B 1 2 ? -3.138 -11.206 -1.467 1.00 0.39 ? 2 DA B H8 3 +ATOM 1606 H H61 . DA B 1 2 ? 1.389 -11.471 2.643 1.00 0.48 ? 2 DA B H61 3 +ATOM 1607 H H62 . DA B 1 2 ? 0.954 -11.485 0.946 1.00 0.43 ? 2 DA B H62 3 +ATOM 1608 H H2 . DA B 1 2 ? -2.499 -11.136 4.885 1.00 0.46 ? 2 DA B H2 3 +ATOM 1609 P P . DC B 1 3 ? -8.832 -9.483 -0.987 1.00 0.34 ? 3 DC B P 3 +ATOM 1610 O OP1 . DC B 1 3 ? -10.231 -9.578 -0.510 1.00 0.45 ? 3 DC B OP1 3 +ATOM 1611 O OP2 . DC B 1 3 ? -8.544 -8.979 -2.346 1.00 0.39 ? 3 DC B OP2 3 +ATOM 1612 O "O5'" . DC B 1 3 ? -7.986 -8.600 0.055 1.00 0.35 ? 3 DC B "O5'" 3 +ATOM 1613 C "C5'" . DC B 1 3 ? -7.980 -8.918 1.448 1.00 0.36 ? 3 DC B "C5'" 3 +ATOM 1614 C "C4'" . DC B 1 3 ? -6.970 -8.115 2.223 1.00 0.38 ? 3 DC B "C4'" 3 +ATOM 1615 O "O4'" . DC B 1 3 ? -5.654 -8.616 2.153 1.00 0.35 ? 3 DC B "O4'" 3 +ATOM 1616 C "C3'" . DC B 1 3 ? -6.953 -6.648 2.142 1.00 0.41 ? 3 DC B "C3'" 3 +ATOM 1617 O "O3'" . DC B 1 3 ? -7.982 -6.067 2.936 1.00 0.52 ? 3 DC B "O3'" 3 +ATOM 1618 C "C2'" . DC B 1 3 ? -5.513 -6.274 2.485 1.00 0.42 ? 3 DC B "C2'" 3 +ATOM 1619 C "C1'" . DC B 1 3 ? -4.813 -7.612 2.704 1.00 0.38 ? 3 DC B "C1'" 3 +ATOM 1620 N N1 . DC B 1 3 ? -3.571 -7.790 1.928 1.00 0.34 ? 3 DC B N1 3 +ATOM 1621 C C2 . DC B 1 3 ? -2.418 -8.097 2.607 1.00 0.35 ? 3 DC B C2 3 +ATOM 1622 O O2 . DC B 1 3 ? -2.425 -8.215 3.823 1.00 0.40 ? 3 DC B O2 3 +ATOM 1623 N N3 . DC B 1 3 ? -1.274 -8.279 1.910 1.00 0.33 ? 3 DC B N3 3 +ATOM 1624 C C4 . DC B 1 3 ? -1.260 -8.164 0.585 1.00 0.32 ? 3 DC B C4 3 +ATOM 1625 N N4 . DC B 1 3 ? -0.095 -8.342 -0.026 1.00 0.34 ? 3 DC B N4 3 +ATOM 1626 C C5 . DC B 1 3 ? -2.450 -7.846 -0.148 1.00 0.34 ? 3 DC B C5 3 +ATOM 1627 C C6 . DC B 1 3 ? -3.585 -7.667 0.571 1.00 0.34 ? 3 DC B C6 3 +ATOM 1628 H "H5'" . DC B 1 3 ? -7.648 -9.945 1.596 1.00 0.41 ? 3 DC B "H5'" 3 +ATOM 1629 H "H5''" . DC B 1 3 ? -8.970 -8.778 1.880 1.00 0.43 ? 3 DC B "H5''" 3 +ATOM 1630 H "H4'" . DC B 1 3 ? -7.433 -7.964 3.199 1.00 0.44 ? 3 DC B "H4'" 3 +ATOM 1631 H "H3'" . DC B 1 3 ? -7.238 -6.687 1.091 1.00 0.40 ? 3 DC B "H3'" 3 +ATOM 1632 H "H2'" . DC B 1 3 ? -5.059 -5.716 1.667 1.00 0.43 ? 3 DC B "H2'" 3 +ATOM 1633 H "H2''" . DC B 1 3 ? -5.432 -5.671 3.390 1.00 0.46 ? 3 DC B "H2''" 3 +ATOM 1634 H "H1'" . DC B 1 3 ? -4.707 -7.761 3.779 1.00 0.46 ? 3 DC B "H1'" 3 +ATOM 1635 H H41 . DC B 1 3 ? 0.735 -8.466 0.539 1.00 0.33 ? 3 DC B H41 3 +ATOM 1636 H H42 . DC B 1 3 ? -0.029 -8.352 -1.032 1.00 0.41 ? 3 DC B H42 3 +ATOM 1637 H H5 . DC B 1 3 ? -2.408 -7.767 -1.234 1.00 0.38 ? 3 DC B H5 3 +ATOM 1638 H H6 . DC B 1 3 ? -4.550 -7.422 0.130 1.00 0.37 ? 3 DC B H6 3 +ATOM 1639 P P . DA B 1 4 ? -8.408 -4.531 2.740 1.00 0.64 ? 4 DA B P 3 +ATOM 1640 O OP1 . DA B 1 4 ? -9.853 -4.406 3.043 1.00 0.83 ? 4 DA B OP1 3 +ATOM 1641 O OP2 . DA B 1 4 ? -7.872 -4.039 1.450 1.00 0.71 ? 4 DA B OP2 3 +ATOM 1642 O "O5'" . DA B 1 4 ? -7.578 -3.827 3.906 1.00 0.65 ? 4 DA B "O5'" 3 +ATOM 1643 C "C5'" . DA B 1 4 ? -7.909 -4.072 5.272 1.00 0.65 ? 4 DA B "C5'" 3 +ATOM 1644 C "C4'" . DA B 1 4 ? -6.960 -3.347 6.196 1.00 0.53 ? 4 DA B "C4'" 3 +ATOM 1645 O "O4'" . DA B 1 4 ? -5.630 -3.852 6.015 1.00 0.46 ? 4 DA B "O4'" 3 +ATOM 1646 C "C3'" . DA B 1 4 ? -6.977 -1.851 5.963 1.00 0.51 ? 4 DA B "C3'" 3 +ATOM 1647 O "O3'" . DA B 1 4 ? -7.875 -1.236 6.889 1.00 0.63 ? 4 DA B "O3'" 3 +ATOM 1648 C "C2'" . DA B 1 4 ? -5.529 -1.513 6.301 1.00 0.40 ? 4 DA B "C2'" 3 +ATOM 1649 C "C1'" . DA B 1 4 ? -4.722 -2.757 5.995 1.00 0.34 ? 4 DA B "C1'" 3 +ATOM 1650 N N9 . DA B 1 4 ? -3.982 -2.678 4.732 1.00 0.32 ? 4 DA B N9 3 +ATOM 1651 C C8 . DA B 1 4 ? -4.435 -2.743 3.448 1.00 0.38 ? 4 DA B C8 3 +ATOM 1652 N N7 . DA B 1 4 ? -3.519 -2.617 2.527 1.00 0.39 ? 4 DA B N7 3 +ATOM 1653 C C5 . DA B 1 4 ? -2.350 -2.457 3.281 1.00 0.34 ? 4 DA B C5 3 +ATOM 1654 C C6 . DA B 1 4 ? -0.998 -2.272 2.938 1.00 0.37 ? 4 DA B C6 3 +ATOM 1655 N N6 . DA B 1 4 ? -0.546 -2.199 1.693 1.00 0.45 ? 4 DA B N6 3 +ATOM 1656 N N1 . DA B 1 4 ? -0.108 -2.152 3.934 1.00 0.36 ? 4 DA B N1 3 +ATOM 1657 C C2 . DA B 1 4 ? -0.519 -2.211 5.194 1.00 0.32 ? 4 DA B C2 3 +ATOM 1658 N N3 . DA B 1 4 ? -1.752 -2.378 5.642 1.00 0.29 ? 4 DA B N3 3 +ATOM 1659 C C4 . DA B 1 4 ? -2.629 -2.496 4.619 1.00 0.30 ? 4 DA B C4 3 +ATOM 1660 H "H5'" . DA B 1 4 ? -7.815 -5.137 5.489 1.00 0.71 ? 4 DA B "H5'" 3 +ATOM 1661 H "H5''" . DA B 1 4 ? -8.929 -3.731 5.450 1.00 0.76 ? 4 DA B "H5''" 3 +ATOM 1662 H "H4'" . DA B 1 4 ? -7.276 -3.494 7.229 1.00 0.55 ? 4 DA B "H4'" 3 +ATOM 1663 H "H3'" . DA B 1 4 ? -7.304 -1.696 4.935 1.00 0.54 ? 4 DA B "H3'" 3 +ATOM 1664 H "H2'" . DA B 1 4 ? -5.067 -0.674 5.781 1.00 0.43 ? 4 DA B "H2'" 3 +ATOM 1665 H "H2''" . DA B 1 4 ? -5.473 -1.265 7.360 1.00 0.41 ? 4 DA B "H2''" 3 +ATOM 1666 H "H1'" . DA B 1 4 ? -4.004 -2.896 6.803 1.00 0.35 ? 4 DA B "H1'" 3 +ATOM 1667 H H8 . DA B 1 4 ? -5.490 -2.903 3.230 1.00 0.42 ? 4 DA B H8 3 +ATOM 1668 H H61 . DA B 1 4 ? 0.429 -1.977 1.535 1.00 0.50 ? 4 DA B H61 3 +ATOM 1669 H H62 . DA B 1 4 ? -1.178 -2.364 0.923 1.00 0.54 ? 4 DA B H62 3 +ATOM 1670 H H2 . DA B 1 4 ? 0.263 -2.122 5.948 1.00 0.38 ? 4 DA B H2 3 +ATOM 1671 P P . DT B 1 5 ? -8.471 0.244 6.647 1.00 0.71 ? 5 DT B P 3 +ATOM 1672 O OP1 . DT B 1 5 ? -9.660 0.395 7.517 1.00 0.91 ? 5 DT B OP1 3 +ATOM 1673 O OP2 . DT B 1 5 ? -8.591 0.478 5.191 1.00 0.81 ? 5 DT B OP2 3 +ATOM 1674 O "O5'" . DT B 1 5 ? -7.324 1.230 7.181 1.00 0.58 ? 5 DT B "O5'" 3 +ATOM 1675 C "C5'" . DT B 1 5 ? -6.898 1.204 8.546 1.00 0.59 ? 5 DT B "C5'" 3 +ATOM 1676 C "C4'" . DT B 1 5 ? -5.588 1.931 8.730 1.00 0.52 ? 5 DT B "C4'" 3 +ATOM 1677 O "O4'" . DT B 1 5 ? -4.612 1.310 7.870 1.00 0.48 ? 5 DT B "O4'" 3 +ATOM 1678 C "C3'" . DT B 1 5 ? -5.644 3.430 8.420 1.00 0.50 ? 5 DT B "C3'" 3 +ATOM 1679 O "O3'" . DT B 1 5 ? -5.022 4.221 9.440 1.00 0.44 ? 5 DT B "O3'" 3 +ATOM 1680 C "C2'" . DT B 1 5 ? -4.833 3.504 7.140 1.00 0.49 ? 5 DT B "C2'" 3 +ATOM 1681 C "C1'" . DT B 1 5 ? -3.851 2.346 7.264 1.00 0.46 ? 5 DT B "C1'" 3 +ATOM 1682 N N1 . DT B 1 5 ? -3.346 1.916 5.938 1.00 0.45 ? 5 DT B N1 3 +ATOM 1683 C C2 . DT B 1 5 ? -1.979 1.908 5.728 1.00 0.44 ? 5 DT B C2 3 +ATOM 1684 O O2 . DT B 1 5 ? -1.134 2.184 6.577 1.00 0.44 ? 5 DT B O2 3 +ATOM 1685 N N3 . DT B 1 5 ? -1.579 1.544 4.473 1.00 0.48 ? 5 DT B N3 3 +ATOM 1686 C C4 . DT B 1 5 ? -2.375 1.185 3.422 1.00 0.51 ? 5 DT B C4 3 +ATOM 1687 O O4 . DT B 1 5 ? -1.843 0.911 2.352 1.00 0.53 ? 5 DT B O4 3 +ATOM 1688 C C5 . DT B 1 5 ? -3.782 1.202 3.712 1.00 0.52 ? 5 DT B C5 3 +ATOM 1689 C C7 . DT B 1 5 ? -4.789 0.782 2.639 1.00 0.57 ? 5 DT B C7 3 +ATOM 1690 C C6 . DT B 1 5 ? -4.215 1.563 4.934 1.00 0.50 ? 5 DT B C6 3 +ATOM 1691 H "H5'" . DT B 1 5 ? -6.724 0.171 8.849 1.00 0.62 ? 5 DT B "H5'" 3 +ATOM 1692 H "H5''" . DT B 1 5 ? -7.653 1.665 9.184 1.00 0.67 ? 5 DT B "H5''" 3 +ATOM 1693 H "H4'" . DT B 1 5 ? -5.288 1.845 9.774 1.00 0.59 ? 5 DT B "H4'" 3 +ATOM 1694 H "H3'" . DT B 1 5 ? -6.690 3.730 8.351 1.00 0.62 ? 5 DT B "H3'" 3 +ATOM 1695 H "H2'" . DT B 1 5 ? -5.482 3.328 6.281 1.00 0.55 ? 5 DT B "H2'" 3 +ATOM 1696 H "H2''" . DT B 1 5 ? -4.325 4.460 7.011 1.00 0.50 ? 5 DT B "H2''" 3 +ATOM 1697 H "H1'" . DT B 1 5 ? -3.064 2.614 7.971 1.00 0.49 ? 5 DT B "H1'" 3 +ATOM 1698 H H3 . DT B 1 5 ? -0.593 1.542 4.288 1.00 0.50 ? 5 DT B H3 3 +ATOM 1699 H H71 . DT B 1 5 ? -4.282 0.590 1.693 1.00 0.60 ? 5 DT B H71 3 +ATOM 1700 H H72 . DT B 1 5 ? -5.280 -0.132 2.972 1.00 0.65 ? 5 DT B H72 3 +ATOM 1701 H H73 . DT B 1 5 ? -5.532 1.566 2.495 1.00 0.61 ? 5 DT B H73 3 +ATOM 1702 H H6 . DT B 1 5 ? -5.290 1.579 5.113 1.00 0.54 ? 5 DT B H6 3 +ATOM 1703 P P . DG B 1 6 ? -5.164 5.830 9.403 1.00 0.41 ? 6 DG B P 3 +ATOM 1704 O OP1 . DG B 1 6 ? -6.561 6.161 9.751 1.00 0.55 ? 6 DG B OP1 3 +ATOM 1705 O OP2 . DG B 1 6 ? -4.587 6.330 8.137 1.00 0.42 ? 6 DG B OP2 3 +ATOM 1706 O "O5'" . DG B 1 6 ? -4.248 6.334 10.619 1.00 0.35 ? 6 DG B "O5'" 3 +ATOM 1707 C "C5'" . DG B 1 6 ? -2.896 5.920 10.853 1.00 0.30 ? 6 DG B "C5'" 3 +ATOM 1708 C "C4'" . DG B 1 6 ? -1.833 6.737 10.115 1.00 0.23 ? 6 DG B "C4'" 3 +ATOM 1709 O "O4'" . DG B 1 6 ? -1.656 6.481 8.699 1.00 0.22 ? 6 DG B "O4'" 3 +ATOM 1710 C "C3'" . DG B 1 6 ? -1.995 8.253 10.274 1.00 0.27 ? 6 DG B "C3'" 3 +ATOM 1711 O "O3'" . DG B 1 6 ? -0.752 8.931 10.546 1.00 0.30 ? 6 DG B "O3'" 3 +ATOM 1712 C "C2'" . DG B 1 6 ? -2.435 8.627 8.880 1.00 0.25 ? 6 DG B "C2'" 3 +ATOM 1713 C "C1'" . DG B 1 6 ? -1.550 7.748 8.019 1.00 0.21 ? 6 DG B "C1'" 3 +ATOM 1714 N N9 . DG B 1 6 ? -1.979 7.681 6.620 1.00 0.24 ? 6 DG B N9 3 +ATOM 1715 C C8 . DG B 1 6 ? -3.209 7.484 6.098 1.00 0.32 ? 6 DG B C8 3 +ATOM 1716 N N7 . DG B 1 6 ? -3.298 7.473 4.797 1.00 0.32 ? 6 DG B N7 3 +ATOM 1717 C C5 . DG B 1 6 ? -1.967 7.688 4.425 1.00 0.24 ? 6 DG B C5 3 +ATOM 1718 C C6 . DG B 1 6 ? -1.371 7.785 3.137 1.00 0.24 ? 6 DG B C6 3 +ATOM 1719 O O6 . DG B 1 6 ? -1.868 7.707 2.018 1.00 0.31 ? 6 DG B O6 3 +ATOM 1720 N N1 . DG B 1 6 ? -0.019 7.997 3.223 1.00 0.25 ? 6 DG B N1 3 +ATOM 1721 C C2 . DG B 1 6 ? 0.688 8.111 4.398 1.00 0.26 ? 6 DG B C2 3 +ATOM 1722 N N2 . DG B 1 6 ? 1.980 8.327 4.346 1.00 0.37 ? 6 DG B N2 3 +ATOM 1723 N N3 . DG B 1 6 ? 0.157 8.026 5.602 1.00 0.23 ? 6 DG B N3 3 +ATOM 1724 C C4 . DG B 1 6 ? -1.171 7.814 5.538 1.00 0.20 ? 6 DG B C4 3 +ATOM 1725 H "H5'" . DG B 1 6 ? -2.771 4.875 10.570 1.00 0.30 ? 6 DG B "H5'" 3 +ATOM 1726 H "H5''" . DG B 1 6 ? -2.714 5.996 11.925 1.00 0.36 ? 6 DG B "H5''" 3 +ATOM 1727 H "H4'" . DG B 1 6 ? -0.934 6.463 10.666 1.00 0.25 ? 6 DG B "H4'" 3 +ATOM 1728 H "H3'" . DG B 1 6 ? -2.765 8.470 11.015 1.00 0.36 ? 6 DG B "H3'" 3 +ATOM 1729 H "H2'" . DG B 1 6 ? -3.484 8.375 8.732 1.00 0.32 ? 6 DG B "H2'" 3 +ATOM 1730 H "H2''" . DG B 1 6 ? -2.332 9.690 8.662 1.00 0.27 ? 6 DG B "H2''" 3 +ATOM 1731 H "H1'" . DG B 1 6 ? -0.532 8.140 7.999 1.00 0.20 ? 6 DG B "H1'" 3 +ATOM 1732 H H8 . DG B 1 6 ? -4.043 7.332 6.785 1.00 0.40 ? 6 DG B H8 3 +ATOM 1733 H H1 . DG B 1 6 ? 0.438 8.044 2.322 1.00 0.29 ? 6 DG B H1 3 +ATOM 1734 H H21 . DG B 1 6 ? 2.462 8.289 3.459 1.00 0.43 ? 6 DG B H21 3 +ATOM 1735 H H22 . DG B 1 6 ? 2.467 8.531 5.204 1.00 0.43 ? 6 DG B H22 3 +ATOM 1736 P P . DT B 1 7 ? 0.275 8.560 11.737 1.00 0.29 ? 7 DT B P 3 +ATOM 1737 O OP1 . DT B 1 7 ? 1.067 7.371 11.320 1.00 0.33 ? 7 DT B OP1 3 +ATOM 1738 O OP2 . DT B 1 7 ? -0.484 8.532 13.006 1.00 0.36 ? 7 DT B OP2 3 +ATOM 1739 O "O5'" . DT B 1 7 ? 1.272 9.828 11.789 1.00 0.39 ? 7 DT B "O5'" 3 +ATOM 1740 C "C5'" . DT B 1 7 ? 2.611 9.780 11.275 1.00 0.40 ? 7 DT B "C5'" 3 +ATOM 1741 C "C4'" . DT B 1 7 ? 2.821 10.607 10.006 1.00 0.45 ? 7 DT B "C4'" 3 +ATOM 1742 O "O4'" . DT B 1 7 ? 1.999 10.215 8.879 1.00 0.38 ? 7 DT B "O4'" 3 +ATOM 1743 C "C3'" . DT B 1 7 ? 2.582 12.117 10.200 1.00 0.50 ? 7 DT B "C3'" 3 +ATOM 1744 O "O3'" . DT B 1 7 ? 3.757 12.863 9.882 1.00 0.58 ? 7 DT B "O3'" 3 +ATOM 1745 C "C2'" . DT B 1 7 ? 1.611 12.434 9.081 1.00 0.39 ? 7 DT B "C2'" 3 +ATOM 1746 C "C1'" . DT B 1 7 ? 1.922 11.380 8.049 1.00 0.32 ? 7 DT B "C1'" 3 +ATOM 1747 N N1 . DT B 1 7 ? 0.930 11.292 6.952 1.00 0.26 ? 7 DT B N1 3 +ATOM 1748 C C2 . DT B 1 7 ? 1.443 11.133 5.679 1.00 0.31 ? 7 DT B C2 3 +ATOM 1749 O O2 . DT B 1 7 ? 2.639 11.051 5.423 1.00 0.41 ? 7 DT B O2 3 +ATOM 1750 N N3 . DT B 1 7 ? 0.542 11.062 4.663 1.00 0.30 ? 7 DT B N3 3 +ATOM 1751 C C4 . DT B 1 7 ? -0.814 11.133 4.772 1.00 0.25 ? 7 DT B C4 3 +ATOM 1752 O O4 . DT B 1 7 ? -1.492 11.045 3.754 1.00 0.30 ? 7 DT B O4 3 +ATOM 1753 C C5 . DT B 1 7 ? -1.292 11.300 6.124 1.00 0.24 ? 7 DT B C5 3 +ATOM 1754 C C7 . DT B 1 7 ? -2.798 11.410 6.363 1.00 0.34 ? 7 DT B C7 3 +ATOM 1755 C C6 . DT B 1 7 ? -0.426 11.371 7.159 1.00 0.24 ? 7 DT B C6 3 +ATOM 1756 H "H5'" . DT B 1 7 ? 2.876 8.745 11.057 1.00 0.41 ? 7 DT B "H5'" 3 +ATOM 1757 H "H5''" . DT B 1 7 ? 3.290 10.144 12.045 1.00 0.46 ? 7 DT B "H5''" 3 +ATOM 1758 H "H4'" . DT B 1 7 ? 3.873 10.478 9.749 1.00 0.50 ? 7 DT B "H4'" 3 +ATOM 1759 H "H3'" . DT B 1 7 ? 2.221 12.334 11.205 1.00 0.59 ? 7 DT B "H3'" 3 +ATOM 1760 H "H2'" . DT B 1 7 ? 0.574 12.358 9.409 1.00 0.42 ? 7 DT B "H2'" 3 +ATOM 1761 H "H2''" . DT B 1 7 ? 1.783 13.417 8.645 1.00 0.39 ? 7 DT B "H2''" 3 +ATOM 1762 H "H1'" . DT B 1 7 ? 2.891 11.602 7.600 1.00 0.34 ? 7 DT B "H1'" 3 +ATOM 1763 H H3 . DT B 1 7 ? 0.936 10.945 3.741 1.00 0.36 ? 7 DT B H3 3 +ATOM 1764 H H71 . DT B 1 7 ? -3.025 12.350 6.865 1.00 0.50 ? 7 DT B H71 3 +ATOM 1765 H H72 . DT B 1 7 ? -3.299 11.429 5.395 1.00 0.40 ? 7 DT B H72 3 +ATOM 1766 H H73 . DT B 1 7 ? -3.184 10.571 6.940 1.00 0.48 ? 7 DT B H73 3 +ATOM 1767 H H6 . DT B 1 7 ? -0.827 11.487 8.166 1.00 0.31 ? 7 DT B H6 3 +ATOM 1768 P P . DC B 1 8 ? 4.962 13.142 10.900 1.00 0.51 ? 8 DC B P 3 +ATOM 1769 O OP1 . DC B 1 8 ? 5.569 11.851 11.290 1.00 0.60 ? 8 DC B OP1 3 +ATOM 1770 O OP2 . DC B 1 8 ? 4.498 14.094 11.934 1.00 0.60 ? 8 DC B OP2 3 +ATOM 1771 O "O5'" . DC B 1 8 ? 5.983 13.925 9.932 1.00 0.48 ? 8 DC B "O5'" 3 +ATOM 1772 C "C5'" . DC B 1 8 ? 6.756 13.273 8.916 1.00 0.49 ? 8 DC B "C5'" 3 +ATOM 1773 C "C4'" . DC B 1 8 ? 6.388 13.717 7.501 1.00 0.46 ? 8 DC B "C4'" 3 +ATOM 1774 O "O4'" . DC B 1 8 ? 5.063 13.369 7.063 1.00 0.38 ? 8 DC B "O4'" 3 +ATOM 1775 C "C3'" . DC B 1 8 ? 6.393 15.231 7.386 1.00 0.54 ? 8 DC B "C3'" 3 +ATOM 1776 O "O3'" . DC B 1 8 ? 7.674 15.822 7.206 1.00 0.73 ? 8 DC B "O3'" 3 +ATOM 1777 C "C2'" . DC B 1 8 ? 5.517 15.476 6.164 1.00 0.47 ? 8 DC B "C2'" 3 +ATOM 1778 C "C1'" . DC B 1 8 ? 4.813 14.180 5.896 1.00 0.39 ? 8 DC B "C1'" 3 +ATOM 1779 N N1 . DC B 1 8 ? 3.382 14.409 5.655 1.00 0.34 ? 8 DC B N1 3 +ATOM 1780 C C2 . DC B 1 8 ? 2.860 14.077 4.417 1.00 0.44 ? 8 DC B C2 3 +ATOM 1781 O O2 . DC B 1 8 ? 3.548 13.618 3.509 1.00 0.51 ? 8 DC B O2 3 +ATOM 1782 N N3 . DC B 1 8 ? 1.545 14.287 4.204 1.00 0.51 ? 8 DC B N3 3 +ATOM 1783 C C4 . DC B 1 8 ? 0.775 14.802 5.160 1.00 0.48 ? 8 DC B C4 3 +ATOM 1784 N N4 . DC B 1 8 ? -0.503 14.982 4.884 1.00 0.58 ? 8 DC B N4 3 +ATOM 1785 C C5 . DC B 1 8 ? 1.295 15.153 6.442 1.00 0.38 ? 8 DC B C5 3 +ATOM 1786 C C6 . DC B 1 8 ? 2.607 14.936 6.638 1.00 0.32 ? 8 DC B C6 3 +ATOM 1787 H "H5'" . DC B 1 8 ? 6.653 12.190 8.992 1.00 0.50 ? 8 DC B "H5'" 3 +ATOM 1788 H "H5''" . DC B 1 8 ? 7.797 13.536 9.100 1.00 0.62 ? 8 DC B "H5''" 3 +ATOM 1789 H "H4'" . DC B 1 8 ? 7.152 13.292 6.850 1.00 0.53 ? 8 DC B "H4'" 3 +ATOM 1790 H "H3'" . DC B 1 8 ? 5.926 15.588 8.304 1.00 0.54 ? 8 DC B "H3'" 3 +ATOM 1791 H "HO3'" . DC B 1 8 ? 8.184 15.607 7.988 1.00 0.89 ? 8 DC B "HO3'" 3 +ATOM 1792 H "H2'" . DC B 1 8 ? 4.767 16.241 6.366 1.00 0.46 ? 8 DC B "H2'" 3 +ATOM 1793 H "H2''" . DC B 1 8 ? 6.054 15.679 5.237 1.00 0.60 ? 8 DC B "H2''" 3 +ATOM 1794 H "H1'" . DC B 1 8 ? 5.279 13.821 4.979 1.00 0.46 ? 8 DC B "H1'" 3 +ATOM 1795 H H41 . DC B 1 8 ? -0.825 14.758 3.949 1.00 0.66 ? 8 DC B H41 3 +ATOM 1796 H H42 . DC B 1 8 ? -1.134 15.335 5.586 1.00 0.60 ? 8 DC B H42 3 +ATOM 1797 H H5 . DC B 1 8 ? 0.670 15.582 7.226 1.00 0.41 ? 8 DC B H5 3 +ATOM 1798 H H6 . DC B 1 8 ? 3.085 15.182 7.586 1.00 0.35 ? 8 DC B H6 3 +HETATM 1799 C C1 . MNG C 2 . ? 3.279 -5.189 1.805 1.00 0.39 ? 9 MNG A C1 3 +HETATM 1800 C C2 . MNG C 2 . ? 2.916 -5.232 0.450 1.00 0.41 ? 9 MNG A C2 3 +HETATM 1801 C C3 . MNG C 2 . ? 1.578 -5.322 0.108 1.00 0.40 ? 9 MNG A C3 3 +HETATM 1802 C C4 . MNG C 2 . ? 0.607 -5.369 1.048 1.00 0.36 ? 9 MNG A C4 3 +HETATM 1803 C C5 . MNG C 2 . ? -0.116 -5.390 3.371 1.00 0.28 ? 9 MNG A C5 3 +HETATM 1804 C C6 . MNG C 2 . ? -0.848 -5.421 5.749 1.00 0.23 ? 9 MNG A C6 3 +HETATM 1805 C C7 . MNG C 2 . ? -1.602 -5.460 8.261 1.00 0.29 ? 9 MNG A C7 3 +HETATM 1806 C C8 . MNG C 2 . ? -0.982 -5.194 9.648 1.00 0.33 ? 9 MNG A C8 3 +HETATM 1807 C C9 . MNG C 2 . ? 0.348 -5.891 9.853 1.00 0.31 ? 9 MNG A C9 3 +HETATM 1808 C C10 . MNG C 2 . ? 1.345 -5.260 8.930 1.00 0.28 ? 9 MNG A C10 3 +HETATM 1809 C C11 . MNG C 2 . ? 1.799 -5.238 6.500 1.00 0.25 ? 9 MNG A C11 3 +HETATM 1810 C C12 . MNG C 2 . ? 2.555 -5.207 4.181 1.00 0.29 ? 9 MNG A C12 3 +HETATM 1811 C C16 . MNG C 2 . ? 2.275 -5.239 2.809 1.00 0.33 ? 9 MNG A C16 3 +HETATM 1812 C C17 . MNG C 2 . ? 0.911 -5.334 2.413 1.00 0.30 ? 9 MNG A C17 3 +HETATM 1813 C C18 . MNG C 2 . ? 0.159 -5.360 4.747 1.00 0.23 ? 9 MNG A C18 3 +HETATM 1814 C C19 . MNG C 2 . ? -0.514 -5.390 7.129 1.00 0.23 ? 9 MNG A C19 3 +HETATM 1815 C C20 . MNG C 2 . ? 0.841 -5.298 7.478 1.00 0.24 ? 9 MNG A C20 3 +HETATM 1816 C C21 . MNG C 2 . ? 1.519 -5.265 5.141 1.00 0.24 ? 9 MNG A C21 3 +HETATM 1817 C "C1'" . MNG C 2 . ? 5.644 -5.170 1.174 1.00 0.50 ? 9 MNG A "C1'" 3 +HETATM 1818 C "C2'" . MNG C 2 . ? 6.104 -6.649 0.915 1.00 0.46 ? 9 MNG A "C2'" 3 +HETATM 1819 C "C3'" . MNG C 2 . ? 4.921 -7.437 0.208 1.00 0.39 ? 9 MNG A "C3'" 3 +HETATM 1820 C "C4'" . MNG C 2 . ? 4.368 -6.636 -1.066 1.00 0.45 ? 9 MNG A "C4'" 3 +HETATM 1821 C "C5'" . MNG C 2 . ? 4.031 -5.181 -0.617 1.00 0.50 ? 9 MNG A "C5'" 3 +HETATM 1822 C C5M . MNG C 2 . ? 3.617 -4.338 -1.820 1.00 0.56 ? 9 MNG A C5M 3 +HETATM 1823 C C1M . MNG C 2 . ? 6.744 -9.079 -0.527 1.00 0.61 ? 9 MNG A C1M 3 +HETATM 1824 C C2M . MNG C 2 . ? 4.568 -9.933 0.306 1.00 0.49 ? 9 MNG A C2M 3 +HETATM 1825 C C7M . MNG C 2 . ? -3.780 -4.585 8.921 1.00 0.42 ? 9 MNG A C7M 3 +HETATM 1826 C C9M . MNG C 2 . ? 0.238 -7.397 9.572 1.00 0.35 ? 9 MNG A C9M 3 +HETATM 1827 O O1 . MNG C 2 . ? 4.621 -5.100 2.164 1.00 0.44 ? 9 MNG A O1 3 +HETATM 1828 O O4 . MNG C 2 . ? -0.683 -5.458 0.582 1.00 0.39 ? 9 MNG A O4 3 +HETATM 1829 O O5 . MNG C 2 . ? -1.256 -5.469 2.902 1.00 0.32 ? 9 MNG A O5 3 +HETATM 1830 O O6 . MNG C 2 . ? -2.160 -5.513 5.319 1.00 0.31 ? 9 MNG A O6 3 +HETATM 1831 O O7 . MNG C 2 . ? -2.651 -4.506 8.030 1.00 0.32 ? 9 MNG A O7 3 +HETATM 1832 O O9 . MNG C 2 . ? 0.768 -5.755 11.183 1.00 0.36 ? 9 MNG A O9 3 +HETATM 1833 O O12 . MNG C 2 . ? 3.718 -5.126 4.569 1.00 0.36 ? 9 MNG A O12 3 +HETATM 1834 O "O1'" . MNG C 2 . ? 5.210 -4.584 -0.062 1.00 0.55 ? 9 MNG A "O1'" 3 +HETATM 1835 O "O2'" . MNG C 2 . ? 6.513 -7.298 2.117 1.00 0.45 ? 9 MNG A "O2'" 3 +HETATM 1836 O "O4'" . MNG C 2 . ? 3.214 -7.264 -1.607 1.00 0.42 ? 9 MNG A "O4'" 3 +HETATM 1837 N N1 . MNG C 2 . ? 5.320 -8.801 -0.253 1.00 0.41 ? 9 MNG A N1 3 +HETATM 1838 H H3 . MNG C 2 . ? 1.244 -5.360 -0.918 1.00 0.45 ? 9 MNG A H3 3 +HETATM 1839 H H7 . MNG C 2 . ? -2.026 -6.472 8.321 1.00 0.31 ? 9 MNG A H7 3 +HETATM 1840 H H81 . MNG C 2 . ? -1.721 -5.503 10.399 1.00 0.41 ? 9 MNG A H81 3 +HETATM 1841 H H82 . MNG C 2 . ? -0.826 -4.115 9.782 1.00 0.33 ? 9 MNG A H82 3 +HETATM 1842 H H101 . MNG C 2 . ? 1.565 -4.220 9.211 1.00 0.31 ? 9 MNG A H101 3 +HETATM 1843 H H102 . MNG C 2 . ? 2.290 -5.809 9.046 1.00 0.32 ? 9 MNG A H102 3 +HETATM 1844 H H11 . MNG C 2 . ? 2.832 -5.167 6.810 1.00 0.29 ? 9 MNG A H11 3 +HETATM 1845 H "H1'" . MNG C 2 . ? 6.551 -4.646 1.505 1.00 0.57 ? 9 MNG A "H1'" 3 +HETATM 1846 H "H2'" . MNG C 2 . ? 6.991 -6.585 0.269 1.00 0.53 ? 9 MNG A "H2'" 3 +HETATM 1847 H "H3'" . MNG C 2 . ? 4.133 -7.555 0.965 1.00 0.37 ? 9 MNG A "H3'" 3 +HETATM 1848 H "H4'" . MNG C 2 . ? 5.099 -6.551 -1.882 1.00 0.52 ? 9 MNG A "H4'" 3 +HETATM 1849 H H5M1 . MNG C 2 . ? 4.446 -4.332 -2.512 1.00 0.60 ? 9 MNG A H5M1 3 +HETATM 1850 H H5M2 . MNG C 2 . ? 3.397 -3.328 -1.505 1.00 0.60 ? 9 MNG A H5M2 3 +HETATM 1851 H H5M3 . MNG C 2 . ? 2.756 -4.774 -2.302 1.00 0.55 ? 9 MNG A H5M3 3 +HETATM 1852 H H1M1 . MNG C 2 . ? 6.829 -10.025 -1.041 1.00 0.62 ? 9 MNG A H1M1 3 +HETATM 1853 H H1M2 . MNG C 2 . ? 7.298 -9.130 0.398 1.00 0.74 ? 9 MNG A H1M2 3 +HETATM 1854 H H1M3 . MNG C 2 . ? 7.162 -8.301 -1.149 1.00 0.75 ? 9 MNG A H1M3 3 +HETATM 1855 H H2M1 . MNG C 2 . ? 3.511 -9.722 0.266 1.00 0.54 ? 9 MNG A H2M1 3 +HETATM 1856 H H2M2 . MNG C 2 . ? 4.861 -10.074 1.336 1.00 0.62 ? 9 MNG A H2M2 3 +HETATM 1857 H H2M3 . MNG C 2 . ? 4.786 -10.830 -0.253 1.00 0.53 ? 9 MNG A H2M3 3 +HETATM 1858 H H7M1 . MNG C 2 . ? -4.519 -3.846 8.647 1.00 0.50 ? 9 MNG A H7M1 3 +HETATM 1859 H H7M2 . MNG C 2 . ? -4.235 -5.562 8.859 1.00 0.50 ? 9 MNG A H7M2 3 +HETATM 1860 H H7M3 . MNG C 2 . ? -3.476 -4.389 9.938 1.00 0.48 ? 9 MNG A H7M3 3 +HETATM 1861 H H9M1 . MNG C 2 . ? 1.202 -7.860 9.718 1.00 0.37 ? 9 MNG A H9M1 3 +HETATM 1862 H H9M2 . MNG C 2 . ? -0.070 -7.624 8.562 1.00 0.36 ? 9 MNG A H9M2 3 +HETATM 1863 H H9M3 . MNG C 2 . ? -0.464 -7.848 10.258 1.00 0.42 ? 9 MNG A H9M3 3 +HETATM 1864 H HO4 . MNG C 2 . ? -1.221 -5.477 1.396 1.00 0.39 ? 9 MNG A HO4 3 +HETATM 1865 H HO6 . MNG C 2 . ? -2.778 -5.077 5.909 1.00 0.32 ? 9 MNG A HO6 3 +HETATM 1866 H HO9 . MNG C 2 . ? 1.543 -6.333 11.334 1.00 0.34 ? 9 MNG A HO9 3 +HETATM 1867 H "HO2'" . MNG C 2 . ? 5.774 -7.442 2.731 1.00 0.41 ? 9 MNG A "HO2'" 3 +HETATM 1868 H "HO4'" . MNG C 2 . ? 3.427 -8.174 -1.848 1.00 0.46 ? 9 MNG A "HO4'" 3 +HETATM 1869 C C1 . MNG D 2 . ? -2.922 4.569 2.579 1.00 0.35 ? 9 MNG B C1 3 +HETATM 1870 C C2 . MNG D 2 . ? -3.077 4.517 1.184 1.00 0.37 ? 9 MNG B C2 3 +HETATM 1871 C C3 . MNG D 2 . ? -1.954 4.580 0.375 1.00 0.34 ? 9 MNG B C3 3 +HETATM 1872 C C4 . MNG D 2 . ? -0.708 4.688 0.893 1.00 0.31 ? 9 MNG B C4 3 +HETATM 1873 C C5 . MNG D 2 . ? 0.806 4.864 2.789 1.00 0.26 ? 9 MNG B C5 3 +HETATM 1874 C C6 . MNG D 2 . ? 2.349 5.054 4.732 1.00 0.27 ? 9 MNG B C6 3 +HETATM 1875 C C7 . MNG D 2 . ? 3.962 5.260 6.793 1.00 0.33 ? 9 MNG B C7 3 +HETATM 1876 C C8 . MNG D 2 . ? 3.892 5.091 8.323 1.00 0.33 ? 9 MNG B C8 3 +HETATM 1877 C C9 . MNG D 2 . ? 2.712 5.805 8.950 1.00 0.29 ? 9 MNG B C9 3 +HETATM 1878 C C10 . MNG D 2 . ? 1.461 5.117 8.496 1.00 0.24 ? 9 MNG B C10 3 +HETATM 1879 C C11 . MNG D 2 . ? 0.157 4.933 6.404 1.00 0.23 ? 9 MNG B C11 3 +HETATM 1880 C C12 . MNG D 2 . ? -1.386 4.746 4.524 1.00 0.27 ? 9 MNG B C12 3 +HETATM 1881 C C16 . MNG D 2 . ? -1.625 4.685 3.144 1.00 0.29 ? 9 MNG B C16 3 +HETATM 1882 C C17 . MNG D 2 . ? -0.498 4.746 2.275 1.00 0.27 ? 9 MNG B C17 3 +HETATM 1883 C C18 . MNG D 2 . ? 1.050 4.930 4.172 1.00 0.24 ? 9 MNG B C18 3 +HETATM 1884 C C19 . MNG D 2 . ? 2.539 5.118 6.140 1.00 0.26 ? 9 MNG B C19 3 +HETATM 1885 C C20 . MNG D 2 . ? 1.404 5.055 6.962 1.00 0.24 ? 9 MNG B C20 3 +HETATM 1886 C C21 . MNG D 2 . ? -0.073 4.868 5.037 1.00 0.23 ? 9 MNG B C21 3 +HETATM 1887 C "C1'" . MNG D 2 . ? -5.353 4.514 2.854 1.00 0.44 ? 9 MNG B "C1'" 3 +HETATM 1888 C "C2'" . MNG D 2 . ? -5.907 5.975 2.686 1.00 0.43 ? 9 MNG B "C2'" 3 +HETATM 1889 C "C3'" . MNG D 2 . ? -5.077 6.708 1.546 1.00 0.37 ? 9 MNG B "C3'" 3 +HETATM 1890 C "C4'" . MNG D 2 . ? -5.007 5.822 0.212 1.00 0.40 ? 9 MNG B "C4'" 3 +HETATM 1891 C "C5'" . MNG D 2 . ? -4.503 4.398 0.601 1.00 0.45 ? 9 MNG B "C5'" 3 +HETATM 1892 C C5M . MNG D 2 . ? -4.534 3.472 -0.612 1.00 0.50 ? 9 MNG B C5M 3 +HETATM 1893 C C1M . MNG D 2 . ? -7.076 8.301 1.418 1.00 0.64 ? 9 MNG B C1M 3 +HETATM 1894 C C2M . MNG D 2 . ? -4.765 9.204 1.352 1.00 0.53 ? 9 MNG B C2M 3 +HETATM 1895 C C7M . MNG D 2 . ? 6.248 4.424 6.669 1.00 0.45 ? 9 MNG B C7M 3 +HETATM 1896 C C9M . MNG D 2 . ? 2.682 7.286 8.551 1.00 0.32 ? 9 MNG B C9M 3 +HETATM 1897 O O1 . MNG D 2 . ? -4.039 4.510 3.405 1.00 0.40 ? 9 MNG B O1 3 +HETATM 1898 O O4 . MNG D 2 . ? 0.325 4.740 -0.013 1.00 0.33 ? 9 MNG B O4 3 +HETATM 1899 O O5 . MNG D 2 . ? 1.697 4.907 1.933 1.00 0.29 ? 9 MNG B O5 3 +HETATM 1900 O O6 . MNG D 2 . ? 3.413 5.113 3.850 1.00 0.36 ? 9 MNG B O6 3 +HETATM 1901 O O7 . MNG D 2 . ? 4.875 4.290 6.256 1.00 0.38 ? 9 MNG B O7 3 +HETATM 1902 O O9 . MNG D 2 . ? 2.807 5.762 10.347 1.00 0.31 ? 9 MNG B O9 3 +HETATM 1903 O O12 . MNG D 2 . ? -2.328 4.699 5.314 1.00 0.30 ? 9 MNG B O12 3 +HETATM 1904 O "O1'" . MNG D 2 . ? -5.386 3.843 1.586 1.00 0.48 ? 9 MNG B "O1'" 3 +HETATM 1905 O "O2'" . MNG D 2 . ? -5.864 6.705 3.911 1.00 0.43 ? 9 MNG B "O2'" 3 +HETATM 1906 O "O4'" . MNG D 2 . ? -4.141 6.407 -0.750 1.00 0.38 ? 9 MNG B "O4'" 3 +HETATM 1907 N N1 . MNG D 2 . ? -5.644 8.038 1.174 1.00 0.43 ? 9 MNG B N1 3 +HETATM 1908 H H3 . MNG D 2 . ? -2.015 4.545 -0.703 1.00 0.38 ? 9 MNG B H3 3 +HETATM 1909 H H7 . MNG D 2 . ? 4.360 6.272 6.631 1.00 0.33 ? 9 MNG B H7 3 +HETATM 1910 H H81 . MNG D 2 . ? 4.848 5.446 8.731 1.00 0.39 ? 9 MNG B H81 3 +HETATM 1911 H H82 . MNG D 2 . ? 3.815 4.024 8.581 1.00 0.35 ? 9 MNG B H82 3 +HETATM 1912 H H101 . MNG D 2 . ? 1.384 4.098 8.902 1.00 0.28 ? 9 MNG B H101 3 +HETATM 1913 H H102 . MNG D 2 . ? 0.607 5.667 8.915 1.00 0.24 ? 9 MNG B H102 3 +HETATM 1914 H H11 . MNG D 2 . ? -0.691 4.888 7.071 1.00 0.25 ? 9 MNG B H11 3 +HETATM 1915 H "H1'" . MNG D 2 . ? -6.066 4.017 3.527 1.00 0.51 ? 9 MNG B "H1'" 3 +HETATM 1916 H "H2'" . MNG D 2 . ? -6.966 5.868 2.411 1.00 0.50 ? 9 MNG B "H2'" 3 +HETATM 1917 H "H3'" . MNG D 2 . ? -4.070 6.875 1.955 1.00 0.30 ? 9 MNG B "H3'" 3 +HETATM 1918 H "H4'" . MNG D 2 . ? -5.981 5.693 -0.279 1.00 0.46 ? 9 MNG B "H4'" 3 +HETATM 1919 H H5M1 . MNG D 2 . ? -5.552 3.423 -0.968 1.00 0.53 ? 9 MNG B H5M1 3 +HETATM 1920 H H5M2 . MNG D 2 . ? -4.198 2.485 -0.332 1.00 0.52 ? 9 MNG B H5M2 3 +HETATM 1921 H H5M3 . MNG D 2 . ? -3.905 3.873 -1.393 1.00 0.49 ? 9 MNG B H5M3 3 +HETATM 1922 H H1M1 . MNG D 2 . ? -7.367 9.208 0.910 1.00 0.66 ? 9 MNG B H1M1 3 +HETATM 1923 H H1M2 . MNG D 2 . ? -7.256 8.412 2.477 1.00 0.81 ? 9 MNG B H1M2 3 +HETATM 1924 H H1M3 . MNG D 2 . ? -7.671 7.479 1.047 1.00 0.73 ? 9 MNG B H1M3 3 +HETATM 1925 H H2M1 . MNG D 2 . ? -3.788 8.987 0.949 1.00 0.56 ? 9 MNG B H2M1 3 +HETATM 1926 H H2M2 . MNG D 2 . ? -4.674 9.412 2.407 1.00 0.67 ? 9 MNG B H2M2 3 +HETATM 1927 H H2M3 . MNG D 2 . ? -5.191 10.061 0.852 1.00 0.61 ? 9 MNG B H2M3 3 +HETATM 1928 H H7M1 . MNG D 2 . ? 6.855 3.667 6.196 1.00 0.54 ? 9 MNG B H7M1 3 +HETATM 1929 H H7M2 . MNG D 2 . ? 6.628 5.395 6.385 1.00 0.48 ? 9 MNG B H7M2 3 +HETATM 1930 H H7M3 . MNG D 2 . ? 6.337 4.303 7.738 1.00 0.50 ? 9 MNG B H7M3 3 +HETATM 1931 H H9M1 . MNG D 2 . ? 1.828 7.754 9.018 1.00 0.33 ? 9 MNG B H9M1 3 +HETATM 1932 H H9M2 . MNG D 2 . ? 2.585 7.445 7.486 1.00 0.33 ? 9 MNG B H9M2 3 +HETATM 1933 H H9M3 . MNG D 2 . ? 3.575 7.784 8.898 1.00 0.38 ? 9 MNG B H9M3 3 +HETATM 1934 H HO4 . MNG D 2 . ? 1.125 4.803 0.543 1.00 0.34 ? 9 MNG B HO4 3 +HETATM 1935 H HO6 . MNG D 2 . ? 4.210 4.713 4.206 1.00 0.39 ? 9 MNG B HO6 3 +HETATM 1936 H HO9 . MNG D 2 . ? 2.130 6.361 10.728 1.00 0.31 ? 9 MNG B HO9 3 +HETATM 1937 H "HO2'" . MNG D 2 . ? -4.957 6.891 4.202 1.00 0.39 ? 9 MNG B "HO2'" 3 +HETATM 1938 H "HO4'" . MNG D 2 . ? -4.449 7.299 -0.953 1.00 0.45 ? 9 MNG B "HO4'" 3 +ATOM 1939 O "O5'" . DG A 1 1 ? -3.715 13.472 -5.035 1.00 0.66 ? 1 DG A "O5'" 4 +ATOM 1940 C "C5'" . DG A 1 1 ? -2.789 14.193 -5.852 1.00 0.63 ? 1 DG A "C5'" 4 +ATOM 1941 C "C4'" . DG A 1 1 ? -1.339 13.941 -5.423 1.00 0.60 ? 1 DG A "C4'" 4 +ATOM 1942 O "O4'" . DG A 1 1 ? -1.106 14.459 -4.105 1.00 0.50 ? 1 DG A "O4'" 4 +ATOM 1943 C "C3'" . DG A 1 1 ? -0.886 12.483 -5.458 1.00 0.68 ? 1 DG A "C3'" 4 +ATOM 1944 O "O3'" . DG A 1 1 ? 0.475 12.465 -5.904 1.00 0.79 ? 1 DG A "O3'" 4 +ATOM 1945 C "C2'" . DG A 1 1 ? -0.986 12.156 -3.970 1.00 0.55 ? 1 DG A "C2'" 4 +ATOM 1946 C "C1'" . DG A 1 1 ? -0.495 13.439 -3.315 1.00 0.47 ? 1 DG A "C1'" 4 +ATOM 1947 N N9 . DG A 1 1 ? -1.049 13.578 -1.964 1.00 0.38 ? 1 DG A N9 4 +ATOM 1948 C C8 . DG A 1 1 ? -2.354 13.639 -1.590 1.00 0.41 ? 1 DG A C8 4 +ATOM 1949 N N7 . DG A 1 1 ? -2.586 13.770 -0.321 1.00 0.40 ? 1 DG A N7 4 +ATOM 1950 C C5 . DG A 1 1 ? -1.293 13.799 0.205 1.00 0.34 ? 1 DG A C5 4 +ATOM 1951 C C6 . DG A 1 1 ? -0.856 13.926 1.551 1.00 0.35 ? 1 DG A C6 4 +ATOM 1952 O O6 . DG A 1 1 ? -1.498 14.046 2.591 1.00 0.41 ? 1 DG A O6 4 +ATOM 1953 N N1 . DG A 1 1 ? 0.509 13.910 1.639 1.00 0.35 ? 1 DG A N1 4 +ATOM 1954 C C2 . DG A 1 1 ? 1.370 13.789 0.583 1.00 0.39 ? 1 DG A C2 4 +ATOM 1955 N N2 . DG A 1 1 ? 2.651 13.786 0.877 1.00 0.48 ? 1 DG A N2 4 +ATOM 1956 N N3 . DG A 1 1 ? 0.992 13.669 -0.682 1.00 0.40 ? 1 DG A N3 4 +ATOM 1957 C C4 . DG A 1 1 ? -0.354 13.682 -0.795 1.00 0.34 ? 1 DG A C4 4 +ATOM 1958 H "H5'" . DG A 1 1 ? -2.989 15.258 -5.734 1.00 0.62 ? 1 DG A "H5'" 4 +ATOM 1959 H "H5''" . DG A 1 1 ? -2.953 13.914 -6.894 1.00 0.74 ? 1 DG A "H5''" 4 +ATOM 1960 H "H4'" . DG A 1 1 ? -0.624 14.435 -6.080 1.00 0.69 ? 1 DG A "H4'" 4 +ATOM 1961 H "H3'" . DG A 1 1 ? -1.492 11.933 -6.178 1.00 0.80 ? 1 DG A "H3'" 4 +ATOM 1962 H "H2'" . DG A 1 1 ? -2.042 12.029 -3.728 1.00 0.57 ? 1 DG A "H2'" 4 +ATOM 1963 H "H2''" . DG A 1 1 ? -0.401 11.317 -3.596 1.00 0.59 ? 1 DG A "H2''" 4 +ATOM 1964 H "H1'" . DG A 1 1 ? 0.589 13.536 -3.368 1.00 0.51 ? 1 DG A "H1'" 4 +ATOM 1965 H H8 . DG A 1 1 ? -3.150 13.583 -2.334 1.00 0.48 ? 1 DG A H8 4 +ATOM 1966 H H1 . DG A 1 1 ? 0.854 14.003 2.581 1.00 0.39 ? 1 DG A H1 4 +ATOM 1967 H H21 . DG A 1 1 ? 2.936 13.840 1.847 1.00 0.53 ? 1 DG A H21 4 +ATOM 1968 H H22 . DG A 1 1 ? 3.317 13.730 0.125 1.00 0.57 ? 1 DG A H22 4 +ATOM 1969 H "HO5'" . DG A 1 1 ? -3.437 13.600 -4.126 1.00 0.62 ? 1 DG A "HO5'" 4 +ATOM 1970 P P . DA A 1 2 ? 1.266 11.127 -6.324 1.00 0.83 ? 2 DA A P 4 +ATOM 1971 O OP1 . DA A 1 2 ? 1.739 11.312 -7.713 1.00 0.97 ? 2 DA A OP1 4 +ATOM 1972 O OP2 . DA A 1 2 ? 0.441 9.947 -5.976 1.00 0.93 ? 2 DA A OP2 4 +ATOM 1973 O "O5'" . DA A 1 2 ? 2.540 11.150 -5.335 1.00 0.81 ? 2 DA A "O5'" 4 +ATOM 1974 C "C5'" . DA A 1 2 ? 3.700 11.973 -5.556 1.00 0.80 ? 2 DA A "C5'" 4 +ATOM 1975 C "C4'" . DA A 1 2 ? 4.915 11.487 -4.764 1.00 0.71 ? 2 DA A "C4'" 4 +ATOM 1976 O "O4'" . DA A 1 2 ? 4.788 11.629 -3.340 1.00 0.60 ? 2 DA A "O4'" 4 +ATOM 1977 C "C3'" . DA A 1 2 ? 5.274 10.036 -5.034 1.00 0.69 ? 2 DA A "C3'" 4 +ATOM 1978 O "O3'" . DA A 1 2 ? 6.696 9.861 -5.027 1.00 0.70 ? 2 DA A "O3'" 4 +ATOM 1979 C "C2'" . DA A 1 2 ? 4.555 9.354 -3.894 1.00 0.62 ? 2 DA A "C2'" 4 +ATOM 1980 C "C1'" . DA A 1 2 ? 4.565 10.339 -2.748 1.00 0.55 ? 2 DA A "C1'" 4 +ATOM 1981 N N9 . DA A 1 2 ? 3.249 10.440 -2.068 1.00 0.52 ? 2 DA A N9 4 +ATOM 1982 C C8 . DA A 1 2 ? 2.013 10.469 -2.644 1.00 0.59 ? 2 DA A C8 4 +ATOM 1983 N N7 . DA A 1 2 ? 0.998 10.560 -1.849 1.00 0.60 ? 2 DA A N7 4 +ATOM 1984 C C5 . DA A 1 2 ? 1.616 10.599 -0.605 1.00 0.51 ? 2 DA A C5 4 +ATOM 1985 C C6 . DA A 1 2 ? 1.092 10.695 0.683 1.00 0.49 ? 2 DA A C6 4 +ATOM 1986 N N6 . DA A 1 2 ? -0.215 10.754 0.904 1.00 0.57 ? 2 DA A N6 4 +ATOM 1987 N N1 . DA A 1 2 ? 1.947 10.712 1.712 1.00 0.41 ? 2 DA A N1 4 +ATOM 1988 C C2 . DA A 1 2 ? 3.252 10.638 1.468 1.00 0.38 ? 2 DA A C2 4 +ATOM 1989 N N3 . DA A 1 2 ? 3.873 10.542 0.300 1.00 0.39 ? 2 DA A N3 4 +ATOM 1990 C C4 . DA A 1 2 ? 2.982 10.528 -0.717 1.00 0.46 ? 2 DA A C4 4 +ATOM 1991 H "H5'" . DA A 1 2 ? 3.482 12.998 -5.255 1.00 0.83 ? 2 DA A "H5'" 4 +ATOM 1992 H "H5''" . DA A 1 2 ? 3.978 11.964 -6.610 1.00 0.90 ? 2 DA A "H5''" 4 +ATOM 1993 H "H4'" . DA A 1 2 ? 5.776 12.076 -5.079 1.00 0.76 ? 2 DA A "H4'" 4 +ATOM 1994 H "H3'" . DA A 1 2 ? 4.902 9.707 -6.004 1.00 0.78 ? 2 DA A "H3'" 4 +ATOM 1995 H "H2'" . DA A 1 2 ? 3.564 9.038 -4.222 1.00 0.67 ? 2 DA A "H2'" 4 +ATOM 1996 H "H2''" . DA A 1 2 ? 5.069 8.465 -3.528 1.00 0.61 ? 2 DA A "H2''" 4 +ATOM 1997 H "H1'" . DA A 1 2 ? 5.401 9.964 -2.157 1.00 0.51 ? 2 DA A "H1'" 4 +ATOM 1998 H H8 . DA A 1 2 ? 1.865 10.429 -3.722 1.00 0.65 ? 2 DA A H8 4 +ATOM 1999 H H61 . DA A 1 2 ? -0.583 10.771 1.847 1.00 0.59 ? 2 DA A H61 4 +ATOM 2000 H H62 . DA A 1 2 ? -0.843 10.781 0.114 1.00 0.63 ? 2 DA A H62 4 +ATOM 2001 H H2 . DA A 1 2 ? 3.894 10.659 2.349 1.00 0.37 ? 2 DA A H2 4 +ATOM 2002 P P . DC A 1 3 ? 7.353 8.414 -5.255 1.00 0.70 ? 3 DC A P 4 +ATOM 2003 O OP1 . DC A 1 3 ? 8.824 8.571 -5.304 1.00 0.73 ? 3 DC A OP1 4 +ATOM 2004 O OP2 . DC A 1 3 ? 6.642 7.730 -6.359 1.00 0.80 ? 3 DC A OP2 4 +ATOM 2005 O "O5'" . DC A 1 3 ? 6.940 7.705 -3.871 1.00 0.60 ? 3 DC A "O5'" 4 +ATOM 2006 C "C5'" . DC A 1 3 ? 7.497 8.132 -2.624 1.00 0.51 ? 3 DC A "C5'" 4 +ATOM 2007 C "C4'" . DC A 1 3 ? 6.900 7.408 -1.437 1.00 0.43 ? 3 DC A "C4'" 4 +ATOM 2008 O "O4'" . DC A 1 3 ? 5.670 7.941 -0.977 1.00 0.37 ? 3 DC A "O4'" 4 +ATOM 2009 C "C3'" . DC A 1 3 ? 6.836 5.932 -1.403 1.00 0.40 ? 3 DC A "C3'" 4 +ATOM 2010 O "O3'" . DC A 1 3 ? 8.062 5.307 -1.006 1.00 0.41 ? 3 DC A "O3'" 4 +ATOM 2011 C "C2'" . DC A 1 3 ? 5.628 5.627 -0.531 1.00 0.38 ? 3 DC A "C2'" 4 +ATOM 2012 C "C1'" . DC A 1 3 ? 5.138 6.988 -0.061 1.00 0.35 ? 3 DC A "C1'" 4 +ATOM 2013 N N1 . DC A 1 3 ? 3.687 7.174 -0.213 1.00 0.34 ? 3 DC A N1 4 +ATOM 2014 C C2 . DC A 1 3 ? 2.955 7.512 0.905 1.00 0.31 ? 3 DC A C2 4 +ATOM 2015 O O2 . DC A 1 3 ? 3.488 7.651 1.998 1.00 0.28 ? 3 DC A O2 4 +ATOM 2016 N N3 . DC A 1 3 ? 1.624 7.700 0.775 1.00 0.36 ? 3 DC A N3 4 +ATOM 2017 C C4 . DC A 1 3 ? 1.033 7.560 -0.409 1.00 0.40 ? 3 DC A C4 4 +ATOM 2018 N N4 . DC A 1 3 ? -0.277 7.754 -0.446 1.00 0.45 ? 3 DC A N4 4 +ATOM 2019 C C5 . DC A 1 3 ? 1.770 7.210 -1.590 1.00 0.42 ? 3 DC A C5 4 +ATOM 2020 C C6 . DC A 1 3 ? 3.103 7.026 -1.440 1.00 0.39 ? 3 DC A C6 4 +ATOM 2021 H "H5'" . DC A 1 3 ? 7.256 9.177 -2.429 1.00 0.50 ? 3 DC A "H5'" 4 +ATOM 2022 H "H5''" . DC A 1 3 ? 8.579 7.996 -2.636 1.00 0.55 ? 3 DC A "H5''" 4 +ATOM 2023 H "H4'" . DC A 1 3 ? 7.739 7.286 -0.753 1.00 0.42 ? 3 DC A "H4'" 4 +ATOM 2024 H "H3'" . DC A 1 3 ? 6.679 5.932 -2.481 1.00 0.44 ? 3 DC A "H3'" 4 +ATOM 2025 H "H2'" . DC A 1 3 ? 4.868 5.088 -1.098 1.00 0.40 ? 3 DC A "H2'" 4 +ATOM 2026 H "H2''" . DC A 1 3 ? 5.858 5.006 0.334 1.00 0.39 ? 3 DC A "H2''" 4 +ATOM 2027 H "H1'" . DC A 1 3 ? 5.507 7.136 0.953 1.00 0.33 ? 3 DC A "H1'" 4 +ATOM 2028 H H41 . DC A 1 3 ? -0.750 7.920 0.431 1.00 0.45 ? 3 DC A H41 4 +ATOM 2029 H H42 . DC A 1 3 ? -0.775 7.737 -1.322 1.00 0.55 ? 3 DC A H42 4 +ATOM 2030 H H5 . DC A 1 3 ? 1.262 7.109 -2.549 1.00 0.45 ? 3 DC A H5 4 +ATOM 2031 H H6 . DC A 1 3 ? 3.766 6.756 -2.262 1.00 0.44 ? 3 DC A H6 4 +ATOM 2032 P P . DA A 1 4 ? 8.362 3.748 -1.316 1.00 0.41 ? 4 DA A P 4 +ATOM 2033 O OP1 . DA A 1 4 ? 9.791 3.618 -1.687 1.00 0.49 ? 4 DA A OP1 4 +ATOM 2034 O OP2 . DA A 1 4 ? 7.319 3.224 -2.228 1.00 0.50 ? 4 DA A OP2 4 +ATOM 2035 O "O5'" . DA A 1 4 ? 8.139 3.068 0.122 1.00 0.34 ? 4 DA A "O5'" 4 +ATOM 2036 C "C5'" . DA A 1 4 ? 9.031 3.352 1.207 1.00 0.32 ? 4 DA A "C5'" 4 +ATOM 2037 C "C4'" . DA A 1 4 ? 8.508 2.837 2.533 1.00 0.27 ? 4 DA A "C4'" 4 +ATOM 2038 O "O4'" . DA A 1 4 ? 7.242 3.456 2.803 1.00 0.29 ? 4 DA A "O4'" 4 +ATOM 2039 C "C3'" . DA A 1 4 ? 8.328 1.326 2.581 1.00 0.24 ? 4 DA A "C3'" 4 +ATOM 2040 O "O3'" . DA A 1 4 ? 9.498 0.688 3.104 1.00 0.23 ? 4 DA A "O3'" 4 +ATOM 2041 C "C2'" . DA A 1 4 ? 7.169 1.228 3.574 1.00 0.23 ? 4 DA A "C2'" 4 +ATOM 2042 C "C1'" . DA A 1 4 ? 6.362 2.490 3.378 1.00 0.24 ? 4 DA A "C1'" 4 +ATOM 2043 N N9 . DA A 1 4 ? 5.171 2.234 2.561 1.00 0.20 ? 4 DA A N9 4 +ATOM 2044 C C8 . DA A 1 4 ? 5.047 2.179 1.209 1.00 0.22 ? 4 DA A C8 4 +ATOM 2045 N N7 . DA A 1 4 ? 3.847 1.921 0.763 1.00 0.21 ? 4 DA A N7 4 +ATOM 2046 C C5 . DA A 1 4 ? 3.109 1.795 1.948 1.00 0.20 ? 4 DA A C5 4 +ATOM 2047 C C6 . DA A 1 4 ? 1.754 1.520 2.218 1.00 0.23 ? 4 DA A C6 4 +ATOM 2048 N N6 . DA A 1 4 ? 0.838 1.299 1.281 1.00 0.28 ? 4 DA A N6 4 +ATOM 2049 N N1 . DA A 1 4 ? 1.371 1.471 3.505 1.00 0.24 ? 4 DA A N1 4 +ATOM 2050 C C2 . DA A 1 4 ? 2.260 1.676 4.468 1.00 0.24 ? 4 DA A C2 4 +ATOM 2051 N N3 . DA A 1 4 ? 3.549 1.938 4.342 1.00 0.23 ? 4 DA A N3 4 +ATOM 2052 C C4 . DA A 1 4 ? 3.912 1.985 3.040 1.00 0.20 ? 4 DA A C4 4 +ATOM 2053 H "H5'" . DA A 1 4 ? 9.141 4.433 1.302 1.00 0.41 ? 4 DA A "H5'" 4 +ATOM 2054 H "H5''" . DA A 1 4 ? 10.001 2.897 1.005 1.00 0.35 ? 4 DA A "H5''" 4 +ATOM 2055 H "H4'" . DA A 1 4 ? 9.231 3.095 3.308 1.00 0.32 ? 4 DA A "H4'" 4 +ATOM 2056 H "H3'" . DA A 1 4 ? 8.128 0.986 1.564 1.00 0.26 ? 4 DA A "H3'" 4 +ATOM 2057 H "H2'" . DA A 1 4 ? 6.497 0.372 3.499 1.00 0.27 ? 4 DA A "H2'" 4 +ATOM 2058 H "H2''" . DA A 1 4 ? 7.567 1.187 4.587 1.00 0.27 ? 4 DA A "H2''" 4 +ATOM 2059 H "H1'" . DA A 1 4 ? 6.058 2.871 4.353 1.00 0.30 ? 4 DA A "H1'" 4 +ATOM 2060 H H8 . DA A 1 4 ? 5.921 2.345 0.578 1.00 0.22 ? 4 DA A H8 4 +ATOM 2061 H H61 . DA A 1 4 ? -0.119 1.122 1.566 1.00 0.31 ? 4 DA A H61 4 +ATOM 2062 H H62 . DA A 1 4 ? 1.104 1.305 0.308 1.00 0.33 ? 4 DA A H62 4 +ATOM 2063 H H2 . DA A 1 4 ? 1.881 1.630 5.489 1.00 0.27 ? 4 DA A H2 4 +ATOM 2064 P P . DT A 1 5 ? 9.715 -0.910 3.007 1.00 0.26 ? 5 DT A P 4 +ATOM 2065 O OP1 . DT A 1 5 ? 11.124 -1.202 3.363 1.00 0.30 ? 5 DT A OP1 4 +ATOM 2066 O OP2 . DT A 1 5 ? 9.179 -1.377 1.708 1.00 0.38 ? 5 DT A OP2 4 +ATOM 2067 O "O5'" . DT A 1 5 ? 8.766 -1.513 4.163 1.00 0.25 ? 5 DT A "O5'" 4 +ATOM 2068 C "C5'" . DT A 1 5 ? 8.979 -1.234 5.556 1.00 0.23 ? 5 DT A "C5'" 4 +ATOM 2069 C "C4'" . DT A 1 5 ? 7.893 -1.842 6.432 1.00 0.34 ? 5 DT A "C4'" 4 +ATOM 2070 O "O4'" . DT A 1 5 ? 6.606 -1.335 6.035 1.00 0.43 ? 5 DT A "O4'" 4 +ATOM 2071 C "C3'" . DT A 1 5 ? 7.848 -3.371 6.397 1.00 0.36 ? 5 DT A "C3'" 4 +ATOM 2072 O "O3'" . DT A 1 5 ? 7.974 -3.876 7.730 1.00 0.38 ? 5 DT A "O3'" 4 +ATOM 2073 C "C2'" . DT A 1 5 ? 6.483 -3.660 5.764 1.00 0.37 ? 5 DT A "C2'" 4 +ATOM 2074 C "C1'" . DT A 1 5 ? 5.652 -2.401 6.035 1.00 0.42 ? 5 DT A "C1'" 4 +ATOM 2075 N N1 . DT A 1 5 ? 4.711 -2.151 4.911 1.00 0.40 ? 5 DT A N1 4 +ATOM 2076 C C2 . DT A 1 5 ? 3.350 -2.118 5.158 1.00 0.43 ? 5 DT A C2 4 +ATOM 2077 O O2 . DT A 1 5 ? 2.852 -2.265 6.270 1.00 0.48 ? 5 DT A O2 4 +ATOM 2078 N N3 . DT A 1 5 ? 2.545 -1.896 4.062 1.00 0.46 ? 5 DT A N3 4 +ATOM 2079 C C4 . DT A 1 5 ? 2.959 -1.705 2.767 1.00 0.48 ? 5 DT A C4 4 +ATOM 2080 O O4 . DT A 1 5 ? 2.114 -1.531 1.893 1.00 0.54 ? 5 DT A O4 4 +ATOM 2081 C C5 . DT A 1 5 ? 4.394 -1.749 2.593 1.00 0.45 ? 5 DT A C5 4 +ATOM 2082 C C7 . DT A 1 5 ? 5.024 -1.530 1.218 1.00 0.46 ? 5 DT A C7 4 +ATOM 2083 C C6 . DT A 1 5 ? 5.202 -1.967 3.645 1.00 0.40 ? 5 DT A C6 4 +ATOM 2084 H "H5'" . DT A 1 5 ? 8.969 -0.153 5.699 1.00 0.28 ? 5 DT A "H5'" 4 +ATOM 2085 H "H5''" . DT A 1 5 ? 9.938 -1.632 5.888 1.00 0.28 ? 5 DT A "H5''" 4 +ATOM 2086 H "H4'" . DT A 1 5 ? 8.088 -1.584 7.474 1.00 0.37 ? 5 DT A "H4'" 4 +ATOM 2087 H "H3'" . DT A 1 5 ? 8.719 -3.728 5.847 1.00 0.38 ? 5 DT A "H3'" 4 +ATOM 2088 H "H2'" . DT A 1 5 ? 6.589 -3.777 4.685 1.00 0.36 ? 5 DT A "H2'" 4 +ATOM 2089 H "H2''" . DT A 1 5 ? 5.993 -4.563 6.128 1.00 0.38 ? 5 DT A "H2''" 4 +ATOM 2090 H "H1'" . DT A 1 5 ? 5.176 -2.444 7.014 1.00 0.51 ? 5 DT A "H1'" 4 +ATOM 2091 H H3 . DT A 1 5 ? 1.547 -1.874 4.204 1.00 0.50 ? 5 DT A H3 4 +ATOM 2092 H H71 . DT A 1 5 ? 4.245 -1.452 0.460 1.00 0.54 ? 5 DT A H71 4 +ATOM 2093 H H72 . DT A 1 5 ? 5.608 -0.610 1.240 1.00 0.48 ? 5 DT A H72 4 +ATOM 2094 H H73 . DT A 1 5 ? 5.701 -2.351 0.984 1.00 0.40 ? 5 DT A H73 4 +ATOM 2095 H H6 . DT A 1 5 ? 6.280 -2.007 3.492 1.00 0.40 ? 5 DT A H6 4 +ATOM 2096 P P . DG A 1 6 ? 8.206 -5.437 8.075 1.00 0.35 ? 6 DG A P 4 +ATOM 2097 O OP1 . DG A 1 6 ? 8.904 -5.517 9.377 1.00 0.47 ? 6 DG A OP1 4 +ATOM 2098 O OP2 . DG A 1 6 ? 8.776 -6.112 6.887 1.00 0.42 ? 6 DG A OP2 4 +ATOM 2099 O "O5'" . DG A 1 6 ? 6.706 -5.977 8.274 1.00 0.31 ? 6 DG A "O5'" 4 +ATOM 2100 C "C5'" . DG A 1 6 ? 5.926 -5.474 9.361 1.00 0.30 ? 6 DG A "C5'" 4 +ATOM 2101 C "C4'" . DG A 1 6 ? 4.661 -6.277 9.591 1.00 0.25 ? 6 DG A "C4'" 4 +ATOM 2102 O "O4'" . DG A 1 6 ? 3.781 -6.282 8.442 1.00 0.29 ? 6 DG A "O4'" 4 +ATOM 2103 C "C3'" . DG A 1 6 ? 4.959 -7.731 9.942 1.00 0.28 ? 6 DG A "C3'" 4 +ATOM 2104 O "O3'" . DG A 1 6 ? 4.169 -8.097 11.073 1.00 0.33 ? 6 DG A "O3'" 4 +ATOM 2105 C "C2'" . DG A 1 6 ? 4.582 -8.449 8.662 1.00 0.22 ? 6 DG A "C2'" 4 +ATOM 2106 C "C1'" . DG A 1 6 ? 3.443 -7.634 8.072 1.00 0.23 ? 6 DG A "C1'" 4 +ATOM 2107 N N9 . DG A 1 6 ? 3.403 -7.747 6.591 1.00 0.24 ? 6 DG A N9 4 +ATOM 2108 C C8 . DG A 1 6 ? 4.406 -7.617 5.672 1.00 0.29 ? 6 DG A C8 4 +ATOM 2109 N N7 . DG A 1 6 ? 4.065 -7.751 4.416 1.00 0.29 ? 6 DG A N7 4 +ATOM 2110 C C5 . DG A 1 6 ? 2.688 -7.994 4.512 1.00 0.27 ? 6 DG A C5 4 +ATOM 2111 C C6 . DG A 1 6 ? 1.708 -8.227 3.491 1.00 0.29 ? 6 DG A C6 4 +ATOM 2112 O O6 . DG A 1 6 ? 1.815 -8.274 2.266 1.00 0.35 ? 6 DG A O6 4 +ATOM 2113 N N1 . DG A 1 6 ? 0.461 -8.417 4.027 1.00 0.28 ? 6 DG A N1 4 +ATOM 2114 C C2 . DG A 1 6 ? 0.165 -8.397 5.367 1.00 0.26 ? 6 DG A C2 4 +ATOM 2115 N N2 . DG A 1 6 ? -1.087 -8.611 5.709 1.00 0.28 ? 6 DG A N2 4 +ATOM 2116 N N3 . DG A 1 6 ? 1.052 -8.186 6.329 1.00 0.23 ? 6 DG A N3 4 +ATOM 2117 C C4 . DG A 1 6 ? 2.291 -7.990 5.832 1.00 0.24 ? 6 DG A C4 4 +ATOM 2118 H "H5'" . DG A 1 6 ? 5.639 -4.444 9.153 1.00 0.33 ? 6 DG A "H5'" 4 +ATOM 2119 H "H5''" . DG A 1 6 ? 6.516 -5.499 10.277 1.00 0.33 ? 6 DG A "H5''" 4 +ATOM 2120 H "H4'" . DG A 1 6 ? 4.187 -5.808 10.453 1.00 0.28 ? 6 DG A "H4'" 4 +ATOM 2121 H "H3'" . DG A 1 6 ? 6.013 -7.842 10.192 1.00 0.41 ? 6 DG A "H3'" 4 +ATOM 2122 H "H2'" . DG A 1 6 ? 5.444 -8.412 7.995 1.00 0.30 ? 6 DG A "H2'" 4 +ATOM 2123 H "H2''" . DG A 1 6 ? 4.333 -9.503 8.781 1.00 0.18 ? 6 DG A "H2''" 4 +ATOM 2124 H "H1'" . DG A 1 6 ? 2.488 -7.925 8.511 1.00 0.26 ? 6 DG A "H1'" 4 +ATOM 2125 H H8 . DG A 1 6 ? 5.429 -7.399 5.979 1.00 0.32 ? 6 DG A H8 4 +ATOM 2126 H H1 . DG A 1 6 ? -0.263 -8.559 3.333 1.00 0.33 ? 6 DG A H1 4 +ATOM 2127 H H21 . DG A 1 6 ? -1.787 -8.668 4.983 1.00 0.30 ? 6 DG A H21 4 +ATOM 2128 H H22 . DG A 1 6 ? -1.322 -8.716 6.682 1.00 0.32 ? 6 DG A H22 4 +ATOM 2129 P P . DT A 1 7 ? 4.326 -9.460 11.922 1.00 0.43 ? 7 DT A P 4 +ATOM 2130 O OP1 . DT A 1 7 ? 4.207 -9.095 13.351 1.00 0.49 ? 7 DT A OP1 4 +ATOM 2131 O OP2 . DT A 1 7 ? 5.499 -10.227 11.444 1.00 0.52 ? 7 DT A OP2 4 +ATOM 2132 O "O5'" . DT A 1 7 ? 3.009 -10.265 11.482 1.00 0.45 ? 7 DT A "O5'" 4 +ATOM 2133 C "C5'" . DT A 1 7 ? 1.697 -9.823 11.847 1.00 0.45 ? 7 DT A "C5'" 4 +ATOM 2134 C "C4'" . DT A 1 7 ? 0.635 -10.529 11.021 1.00 0.39 ? 7 DT A "C4'" 4 +ATOM 2135 O "O4'" . DT A 1 7 ? 0.753 -10.213 9.617 1.00 0.30 ? 7 DT A "O4'" 4 +ATOM 2136 C "C3'" . DT A 1 7 ? 0.738 -12.061 11.172 1.00 0.46 ? 7 DT A "C3'" 4 +ATOM 2137 O "O3'" . DT A 1 7 ? -0.532 -12.691 11.337 1.00 0.50 ? 7 DT A "O3'" 4 +ATOM 2138 C "C2'" . DT A 1 7 ? 1.183 -12.439 9.789 1.00 0.37 ? 7 DT A "C2'" 4 +ATOM 2139 C "C1'" . DT A 1 7 ? 0.467 -11.426 8.927 1.00 0.25 ? 7 DT A "C1'" 4 +ATOM 2140 N N1 . DT A 1 7 ? 0.957 -11.406 7.534 1.00 0.23 ? 7 DT A N1 4 +ATOM 2141 C C2 . DT A 1 7 ? 0.008 -11.415 6.532 1.00 0.17 ? 7 DT A C2 4 +ATOM 2142 O O2 . DT A 1 7 ? -1.201 -11.421 6.732 1.00 0.17 ? 7 DT A O2 4 +ATOM 2143 N N3 . DT A 1 7 ? 0.483 -11.407 5.253 1.00 0.28 ? 7 DT A N3 4 +ATOM 2144 C C4 . DT A 1 7 ? 1.797 -11.393 4.877 1.00 0.37 ? 7 DT A C4 4 +ATOM 2145 O O4 . DT A 1 7 ? 2.071 -11.388 3.684 1.00 0.45 ? 7 DT A O4 4 +ATOM 2146 C C5 . DT A 1 7 ? 2.734 -11.388 5.972 1.00 0.41 ? 7 DT A C5 4 +ATOM 2147 C C7 . DT A 1 7 ? 4.233 -11.378 5.689 1.00 0.58 ? 7 DT A C7 4 +ATOM 2148 C C6 . DT A 1 7 ? 2.298 -11.392 7.243 1.00 0.35 ? 7 DT A C6 4 +ATOM 2149 H "H5'" . DT A 1 7 ? 1.611 -8.750 11.678 1.00 0.44 ? 7 DT A "H5'" 4 +ATOM 2150 H "H5''" . DT A 1 7 ? 1.531 -10.031 12.905 1.00 0.53 ? 7 DT A "H5''" 4 +ATOM 2151 H "H4'" . DT A 1 7 ? -0.369 -10.237 11.328 1.00 0.40 ? 7 DT A "H4'" 4 +ATOM 2152 H "H3'" . DT A 1 7 ? 1.400 -12.340 11.992 1.00 0.59 ? 7 DT A "H3'" 4 +ATOM 2153 H "H2'" . DT A 1 7 ? 2.264 -12.360 9.675 1.00 0.44 ? 7 DT A "H2'" 4 +ATOM 2154 H "H2''" . DT A 1 7 ? 0.850 -13.439 9.514 1.00 0.38 ? 7 DT A "H2''" 4 +ATOM 2155 H "H1'" . DT A 1 7 ? -0.602 -11.628 8.974 1.00 0.23 ? 7 DT A "H1'" 4 +ATOM 2156 H H3 . DT A 1 7 ? -0.212 -11.406 4.522 1.00 0.30 ? 7 DT A H3 4 +ATOM 2157 H H71 . DT A 1 7 ? 4.682 -12.277 6.111 1.00 0.65 ? 7 DT A H71 4 +ATOM 2158 H H72 . DT A 1 7 ? 4.397 -11.365 4.612 1.00 0.67 ? 7 DT A H72 4 +ATOM 2159 H H73 . DT A 1 7 ? 4.684 -10.496 6.144 1.00 0.60 ? 7 DT A H73 4 +ATOM 2160 H H6 . DT A 1 7 ? 3.036 -11.380 8.046 1.00 0.41 ? 7 DT A H6 4 +ATOM 2161 P P . DC A 1 8 ? -1.394 -12.586 12.681 1.00 0.72 ? 8 DC A P 4 +ATOM 2162 O OP1 . DC A 1 8 ? -1.870 -11.191 12.829 1.00 0.81 ? 8 DC A OP1 4 +ATOM 2163 O OP2 . DC A 1 8 ? -0.635 -13.234 13.773 1.00 0.92 ? 8 DC A OP2 4 +ATOM 2164 O "O5'" . DC A 1 8 ? -2.648 -13.532 12.328 1.00 0.76 ? 8 DC A "O5'" 4 +ATOM 2165 C "C5'" . DC A 1 8 ? -3.720 -13.138 11.461 1.00 0.80 ? 8 DC A "C5'" 4 +ATOM 2166 C "C4'" . DC A 1 8 ? -3.704 -13.860 10.109 1.00 0.73 ? 8 DC A "C4'" 4 +ATOM 2167 O "O4'" . DC A 1 8 ? -2.587 -13.583 9.243 1.00 0.59 ? 8 DC A "O4'" 4 +ATOM 2168 C "C3'" . DC A 1 8 ? -3.630 -15.373 10.277 1.00 0.76 ? 8 DC A "C3'" 4 +ATOM 2169 O "O3'" . DC A 1 8 ? -4.856 -15.988 10.672 1.00 0.87 ? 8 DC A "O3'" 4 +ATOM 2170 C "C2'" . DC A 1 8 ? -3.171 -15.834 8.892 1.00 0.65 ? 8 DC A "C2'" 4 +ATOM 2171 C "C1'" . DC A 1 8 ? -2.615 -14.602 8.216 1.00 0.55 ? 8 DC A "C1'" 4 +ATOM 2172 N N1 . DC A 1 8 ? -1.290 -14.832 7.609 1.00 0.44 ? 8 DC A N1 4 +ATOM 2173 C C2 . DC A 1 8 ? -1.127 -14.548 6.259 1.00 0.37 ? 8 DC A C2 4 +ATOM 2174 O O2 . DC A 1 8 ? -2.043 -14.140 5.552 1.00 0.41 ? 8 DC A O2 4 +ATOM 2175 N N3 . DC A 1 8 ? 0.087 -14.749 5.702 1.00 0.34 ? 8 DC A N3 4 +ATOM 2176 C C4 . DC A 1 8 ? 1.103 -15.208 6.428 1.00 0.38 ? 8 DC A C4 4 +ATOM 2177 N N4 . DC A 1 8 ? 2.263 -15.375 5.817 1.00 0.43 ? 8 DC A N4 4 +ATOM 2178 C C5 . DC A 1 8 ? 0.960 -15.509 7.814 1.00 0.44 ? 8 DC A C5 4 +ATOM 2179 C C6 . DC A 1 8 ? -0.255 -15.305 8.360 1.00 0.47 ? 8 DC A C6 4 +ATOM 2180 H "H5'" . DC A 1 8 ? -3.702 -12.061 11.299 1.00 0.82 ? 8 DC A "H5'" 4 +ATOM 2181 H "H5''" . DC A 1 8 ? -4.651 -13.385 11.971 1.00 1.00 ? 8 DC A "H5''" 4 +ATOM 2182 H "H4'" . DC A 1 8 ? -4.650 -13.585 9.645 1.00 0.80 ? 8 DC A "H4'" 4 +ATOM 2183 H "H3'" . DC A 1 8 ? -2.867 -15.557 11.033 1.00 0.77 ? 8 DC A "H3'" 4 +ATOM 2184 H "HO3'" . DC A 1 8 ? -5.082 -15.622 11.528 1.00 0.97 ? 8 DC A "HO3'" 4 +ATOM 2185 H "H2'" . DC A 1 8 ? -2.398 -16.600 8.958 1.00 0.65 ? 8 DC A "H2'" 4 +ATOM 2186 H "H2''" . DC A 1 8 ? -3.978 -16.161 8.236 1.00 0.70 ? 8 DC A "H2''" 4 +ATOM 2187 H "H1'" . DC A 1 8 ? -3.334 -14.412 7.420 1.00 0.61 ? 8 DC A "H1'" 4 +ATOM 2188 H H41 . DC A 1 8 ? 2.312 -15.148 4.831 1.00 0.48 ? 8 DC A H41 4 +ATOM 2189 H H42 . DC A 1 8 ? 3.071 -15.716 6.315 1.00 0.47 ? 8 DC A H42 4 +ATOM 2190 H H5 . DC A 1 8 ? 1.802 -15.890 8.392 1.00 0.54 ? 8 DC A H5 4 +ATOM 2191 H H6 . DC A 1 8 ? -0.426 -15.515 9.416 1.00 0.53 ? 8 DC A H6 4 +ATOM 2192 O "O5'" . DG B 1 1 ? 1.560 -14.568 -4.841 1.00 0.65 ? 1 DG B "O5'" 4 +ATOM 2193 C "C5'" . DG B 1 1 ? 0.397 -15.288 -5.261 1.00 0.56 ? 1 DG B "C5'" 4 +ATOM 2194 C "C4'" . DG B 1 1 ? -0.816 -14.963 -4.385 1.00 0.46 ? 1 DG B "C4'" 4 +ATOM 2195 O "O4'" . DG B 1 1 ? -0.609 -15.420 -3.039 1.00 0.38 ? 1 DG B "O4'" 4 +ATOM 2196 C "C3'" . DG B 1 1 ? -1.220 -13.495 -4.342 1.00 0.52 ? 1 DG B "C3'" 4 +ATOM 2197 O "O3'" . DG B 1 1 ? -2.648 -13.458 -4.313 1.00 0.57 ? 1 DG B "O3'" 4 +ATOM 2198 C "C2'" . DG B 1 1 ? -0.620 -13.112 -2.991 1.00 0.48 ? 1 DG B "C2'" 4 +ATOM 2199 C "C1'" . DG B 1 1 ? -0.891 -14.345 -2.142 1.00 0.38 ? 1 DG B "C1'" 4 +ATOM 2200 N N9 . DG B 1 1 ? 0.083 -14.452 -1.049 1.00 0.40 ? 1 DG B N9 4 +ATOM 2201 C C8 . DG B 1 1 ? 1.436 -14.548 -1.130 1.00 0.51 ? 1 DG B C8 4 +ATOM 2202 N N7 . DG B 1 1 ? 2.077 -14.635 -0.007 1.00 0.54 ? 1 DG B N7 4 +ATOM 2203 C C5 . DG B 1 1 ? 1.036 -14.595 0.922 1.00 0.41 ? 1 DG B C5 4 +ATOM 2204 C C6 . DG B 1 1 ? 1.075 -14.650 2.340 1.00 0.41 ? 1 DG B C6 4 +ATOM 2205 O O6 . DG B 1 1 ? 2.024 -14.752 3.111 1.00 0.51 ? 1 DG B O6 4 +ATOM 2206 N N1 . DG B 1 1 ? -0.180 -14.578 2.878 1.00 0.37 ? 1 DG B N1 4 +ATOM 2207 C C2 . DG B 1 1 ? -1.341 -14.467 2.166 1.00 0.36 ? 1 DG B C2 4 +ATOM 2208 N N2 . DG B 1 1 ? -2.449 -14.404 2.870 1.00 0.46 ? 1 DG B N2 4 +ATOM 2209 N N3 . DG B 1 1 ? -1.409 -14.414 0.844 1.00 0.34 ? 1 DG B N3 4 +ATOM 2210 C C4 . DG B 1 1 ? -0.181 -14.482 0.289 1.00 0.34 ? 1 DG B C4 4 +ATOM 2211 H "H5'" . DG B 1 1 ? 0.598 -16.355 -5.160 1.00 0.56 ? 1 DG B "H5'" 4 +ATOM 2212 H "H5''" . DG B 1 1 ? 0.206 -15.061 -6.310 1.00 0.64 ? 1 DG B "H5''" 4 +ATOM 2213 H "H4'" . DG B 1 1 ? -1.725 -15.449 -4.740 1.00 0.48 ? 1 DG B "H4'" 4 +ATOM 2214 H "H3'" . DG B 1 1 ? -0.883 -12.997 -5.251 1.00 0.65 ? 1 DG B "H3'" 4 +ATOM 2215 H "H2'" . DG B 1 1 ? 0.459 -13.025 -3.125 1.00 0.54 ? 1 DG B "H2'" 4 +ATOM 2216 H "H2''" . DG B 1 1 ? -1.020 -12.232 -2.488 1.00 0.53 ? 1 DG B "H2''" 4 +ATOM 2217 H "H1'" . DG B 1 1 ? -1.930 -14.398 -1.818 1.00 0.39 ? 1 DG B "H1'" 4 +ATOM 2218 H H8 . DG B 1 1 ? 1.937 -14.553 -2.098 1.00 0.61 ? 1 DG B H8 4 +ATOM 2219 H H1 . DG B 1 1 ? -0.191 -14.617 3.886 1.00 0.40 ? 1 DG B H1 4 +ATOM 2220 H H21 . DG B 1 1 ? -2.393 -14.402 3.881 1.00 0.53 ? 1 DG B H21 4 +ATOM 2221 H H22 . DG B 1 1 ? -3.327 -14.359 2.380 1.00 0.58 ? 1 DG B H22 4 +ATOM 2222 H "HO5'" . DG B 1 1 ? 1.607 -14.653 -3.887 1.00 0.68 ? 1 DG B "HO5'" 4 +ATOM 2223 P P . DA B 1 2 ? -3.514 -12.133 -4.570 1.00 0.58 ? 2 DA B P 4 +ATOM 2224 O OP1 . DA B 1 2 ? -4.411 -12.392 -5.718 1.00 0.70 ? 2 DA B OP1 4 +ATOM 2225 O OP2 . DA B 1 2 ? -2.611 -10.960 -4.584 1.00 0.75 ? 2 DA B OP2 4 +ATOM 2226 O "O5'" . DA B 1 2 ? -4.392 -12.078 -3.222 1.00 0.65 ? 2 DA B "O5'" 4 +ATOM 2227 C "C5'" . DA B 1 2 ? -5.556 -12.895 -3.004 1.00 0.61 ? 2 DA B "C5'" 4 +ATOM 2228 C "C4'" . DA B 1 2 ? -6.442 -12.347 -1.883 1.00 0.54 ? 2 DA B "C4'" 4 +ATOM 2229 O "O4'" . DA B 1 2 ? -5.852 -12.418 -0.574 1.00 0.49 ? 2 DA B "O4'" 4 +ATOM 2230 C "C3'" . DA B 1 2 ? -6.870 -10.904 -2.096 1.00 0.59 ? 2 DA B "C3'" 4 +ATOM 2231 O "O3'" . DA B 1 2 ? -8.210 -10.699 -1.632 1.00 0.59 ? 2 DA B "O3'" 4 +ATOM 2232 C "C2'" . DA B 1 2 ? -5.813 -10.179 -1.295 1.00 0.57 ? 2 DA B "C2'" 4 +ATOM 2233 C "C1'" . DA B 1 2 ? -5.444 -11.105 -0.159 1.00 0.48 ? 2 DA B "C1'" 4 +ATOM 2234 N N9 . DA B 1 2 ? -3.979 -11.193 0.055 1.00 0.46 ? 2 DA B N9 4 +ATOM 2235 C C8 . DA B 1 2 ? -3.001 -11.277 -0.892 1.00 0.51 ? 2 DA B C8 4 +ATOM 2236 N N7 . DA B 1 2 ? -1.781 -11.346 -0.474 1.00 0.50 ? 2 DA B N7 4 +ATOM 2237 C C5 . DA B 1 2 ? -1.952 -11.307 0.905 1.00 0.43 ? 2 DA B C5 4 +ATOM 2238 C C6 . DA B 1 2 ? -1.030 -11.344 1.951 1.00 0.42 ? 2 DA B C6 4 +ATOM 2239 N N6 . DA B 1 2 ? 0.277 -11.418 1.734 1.00 0.47 ? 2 DA B N6 4 +ATOM 2240 N N1 . DA B 1 2 ? -1.500 -11.290 3.202 1.00 0.43 ? 2 DA B N1 4 +ATOM 2241 C C2 . DA B 1 2 ? -2.814 -11.203 3.397 1.00 0.43 ? 2 DA B C2 4 +ATOM 2242 N N3 . DA B 1 2 ? -3.787 -11.158 2.495 1.00 0.43 ? 2 DA B N3 4 +ATOM 2243 C C4 . DA B 1 2 ? -3.279 -11.215 1.244 1.00 0.42 ? 2 DA B C4 4 +ATOM 2244 H "H5'" . DA B 1 2 ? -5.250 -13.906 -2.736 1.00 0.58 ? 2 DA B "H5'" 4 +ATOM 2245 H "H5''" . DA B 1 2 ? -6.164 -12.935 -3.907 1.00 0.69 ? 2 DA B "H5''" 4 +ATOM 2246 H "H4'" . DA B 1 2 ? -7.355 -12.941 -1.867 1.00 0.54 ? 2 DA B "H4'" 4 +ATOM 2247 H "H3'" . DA B 1 2 ? -6.833 -10.632 -3.152 1.00 0.65 ? 2 DA B "H3'" 4 +ATOM 2248 H "H2'" . DA B 1 2 ? -4.984 -9.901 -1.945 1.00 0.61 ? 2 DA B "H2'" 4 +ATOM 2249 H "H2''" . DA B 1 2 ? -6.177 -9.265 -0.826 1.00 0.60 ? 2 DA B "H2''" 4 +ATOM 2250 H "H1'" . DA B 1 2 ? -6.037 -10.685 0.654 1.00 0.50 ? 2 DA B "H1'" 4 +ATOM 2251 H H8 . DA B 1 2 ? -3.216 -11.297 -1.961 1.00 0.55 ? 2 DA B H8 4 +ATOM 2252 H H61 . DA B 1 2 ? 0.937 -11.395 2.500 1.00 0.49 ? 2 DA B H61 4 +ATOM 2253 H H62 . DA B 1 2 ? 0.617 -11.497 0.787 1.00 0.53 ? 2 DA B H62 4 +ATOM 2254 H H2 . DA B 1 2 ? -3.134 -11.164 4.438 1.00 0.47 ? 2 DA B H2 4 +ATOM 2255 P P . DC B 1 3 ? -8.912 -9.249 -1.688 1.00 0.64 ? 3 DC B P 4 +ATOM 2256 O OP1 . DC B 1 3 ? -10.309 -9.386 -1.217 1.00 0.67 ? 3 DC B OP1 4 +ATOM 2257 O OP2 . DC B 1 3 ? -8.629 -8.622 -2.998 1.00 0.74 ? 3 DC B OP2 4 +ATOM 2258 O "O5'" . DC B 1 3 ? -8.048 -8.486 -0.566 1.00 0.58 ? 3 DC B "O5'" 4 +ATOM 2259 C "C5'" . DC B 1 3 ? -8.138 -8.850 0.815 1.00 0.51 ? 3 DC B "C5'" 4 +ATOM 2260 C "C4'" . DC B 1 3 ? -7.167 -8.084 1.688 1.00 0.48 ? 3 DC B "C4'" 4 +ATOM 2261 O "O4'" . DC B 1 3 ? -5.852 -8.613 1.713 1.00 0.40 ? 3 DC B "O4'" 4 +ATOM 2262 C "C3'" . DC B 1 3 ? -7.100 -6.608 1.632 1.00 0.52 ? 3 DC B "C3'" 4 +ATOM 2263 O "O3'" . DC B 1 3 ? -8.117 -5.957 2.406 1.00 0.51 ? 3 DC B "O3'" 4 +ATOM 2264 C "C2'" . DC B 1 3 ? -5.663 -6.283 2.014 1.00 0.50 ? 3 DC B "C2'" 4 +ATOM 2265 C "C1'" . DC B 1 3 ? -5.037 -7.629 2.344 1.00 0.42 ? 3 DC B "C1'" 4 +ATOM 2266 N N1 . DC B 1 3 ? -3.728 -7.841 1.707 1.00 0.38 ? 3 DC B N1 4 +ATOM 2267 C C2 . DC B 1 3 ? -2.651 -8.138 2.513 1.00 0.36 ? 3 DC B C2 4 +ATOM 2268 O O2 . DC B 1 3 ? -2.766 -8.225 3.730 1.00 0.36 ? 3 DC B O2 4 +ATOM 2269 N N3 . DC B 1 3 ? -1.448 -8.348 1.937 1.00 0.36 ? 3 DC B N3 4 +ATOM 2270 C C4 . DC B 1 3 ? -1.308 -8.268 0.615 1.00 0.37 ? 3 DC B C4 4 +ATOM 2271 N N4 . DC B 1 3 ? -0.092 -8.476 0.133 1.00 0.41 ? 3 DC B N4 4 +ATOM 2272 C C5 . DC B 1 3 ? -2.412 -7.962 -0.249 1.00 0.41 ? 3 DC B C5 4 +ATOM 2273 C C6 . DC B 1 3 ? -3.608 -7.754 0.347 1.00 0.40 ? 3 DC B C6 4 +ATOM 2274 H "H5'" . DC B 1 3 ? -7.847 -9.891 0.961 1.00 0.50 ? 3 DC B "H5'" 4 +ATOM 2275 H "H5''" . DC B 1 3 ? -9.158 -8.701 1.171 1.00 0.57 ? 3 DC B "H5''" 4 +ATOM 2276 H "H4'" . DC B 1 3 ? -7.717 -7.920 2.615 1.00 0.52 ? 3 DC B "H4'" 4 +ATOM 2277 H "H3'" . DC B 1 3 ? -7.328 -6.655 0.567 1.00 0.56 ? 3 DC B "H3'" 4 +ATOM 2278 H "H2'" . DC B 1 3 ? -5.149 -5.778 1.195 1.00 0.53 ? 3 DC B "H2'" 4 +ATOM 2279 H "H2''" . DC B 1 3 ? -5.581 -5.624 2.877 1.00 0.53 ? 3 DC B "H2''" 4 +ATOM 2280 H "H1'" . DC B 1 3 ? -5.033 -7.731 3.430 1.00 0.45 ? 3 DC B "H1'" 4 +ATOM 2281 H H41 . DC B 1 3 ? 0.659 -8.606 0.797 1.00 0.42 ? 3 DC B H41 4 +ATOM 2282 H H42 . DC B 1 3 ? 0.069 -8.500 -0.863 1.00 0.49 ? 3 DC B H42 4 +ATOM 2283 H H5 . DC B 1 3 ? -2.270 -7.908 -1.328 1.00 0.45 ? 3 DC B H5 4 +ATOM 2284 H H6 . DC B 1 3 ? -4.517 -7.510 -0.203 1.00 0.45 ? 3 DC B H6 4 +ATOM 2285 P P . DA B 1 4 ? -8.537 -4.416 2.146 1.00 0.52 ? 4 DA B P 4 +ATOM 2286 O OP1 . DA B 1 4 ? -10.006 -4.296 2.305 1.00 0.59 ? 4 DA B OP1 4 +ATOM 2287 O OP2 . DA B 1 4 ? -7.896 -3.950 0.895 1.00 0.60 ? 4 DA B OP2 4 +ATOM 2288 O "O5'" . DA B 1 4 ? -7.823 -3.660 3.370 1.00 0.47 ? 4 DA B "O5'" 4 +ATOM 2289 C "C5'" . DA B 1 4 ? -8.267 -3.876 4.716 1.00 0.45 ? 4 DA B "C5'" 4 +ATOM 2290 C "C4'" . DA B 1 4 ? -7.309 -3.294 5.739 1.00 0.38 ? 4 DA B "C4'" 4 +ATOM 2291 O "O4'" . DA B 1 4 ? -6.025 -3.912 5.576 1.00 0.32 ? 4 DA B "O4'" 4 +ATOM 2292 C "C3'" . DA B 1 4 ? -7.139 -1.785 5.632 1.00 0.40 ? 4 DA B "C3'" 4 +ATOM 2293 O "O3'" . DA B 1 4 ? -8.046 -1.109 6.505 1.00 0.43 ? 4 DA B "O3'" 4 +ATOM 2294 C "C2'" . DA B 1 4 ? -5.704 -1.646 6.138 1.00 0.35 ? 4 DA B "C2'" 4 +ATOM 2295 C "C1'" . DA B 1 4 ? -5.007 -2.925 5.742 1.00 0.30 ? 4 DA B "C1'" 4 +ATOM 2296 N N9 . DA B 1 4 ? -4.189 -2.729 4.540 1.00 0.27 ? 4 DA B N9 4 +ATOM 2297 C C8 . DA B 1 4 ? -4.559 -2.750 3.233 1.00 0.29 ? 4 DA B C8 4 +ATOM 2298 N N7 . DA B 1 4 ? -3.597 -2.533 2.374 1.00 0.29 ? 4 DA B N7 4 +ATOM 2299 C C5 . DA B 1 4 ? -2.486 -2.351 3.208 1.00 0.27 ? 4 DA B C5 4 +ATOM 2300 C C6 . DA B 1 4 ? -1.126 -2.078 2.962 1.00 0.32 ? 4 DA B C6 4 +ATOM 2301 N N6 . DA B 1 4 ? -0.608 -1.919 1.750 1.00 0.37 ? 4 DA B N6 4 +ATOM 2302 N N1 . DA B 1 4 ? -0.308 -1.962 4.022 1.00 0.34 ? 4 DA B N1 4 +ATOM 2303 C C2 . DA B 1 4 ? -0.794 -2.104 5.249 1.00 0.33 ? 4 DA B C2 4 +ATOM 2304 N N3 . DA B 1 4 ? -2.040 -2.356 5.605 1.00 0.29 ? 4 DA B N3 4 +ATOM 2305 C C4 . DA B 1 4 ? -2.844 -2.470 4.524 1.00 0.26 ? 4 DA B C4 4 +ATOM 2306 H "H5'" . DA B 1 4 ? -8.326 -4.948 4.904 1.00 0.48 ? 4 DA B "H5'" 4 +ATOM 2307 H "H5''" . DA B 1 4 ? -9.248 -3.420 4.849 1.00 0.51 ? 4 DA B "H5''" 4 +ATOM 2308 H "H4'" . DA B 1 4 ? -7.707 -3.498 6.734 1.00 0.41 ? 4 DA B "H4'" 4 +ATOM 2309 H "H3'" . DA B 1 4 ? -7.322 -1.501 4.596 1.00 0.44 ? 4 DA B "H3'" 4 +ATOM 2310 H "H2'" . DA B 1 4 ? -5.111 -0.804 5.782 1.00 0.38 ? 4 DA B "H2'" 4 +ATOM 2311 H "H2''" . DA B 1 4 ? -5.714 -1.543 7.223 1.00 0.35 ? 4 DA B "H2''" 4 +ATOM 2312 H "H1'" . DA B 1 4 ? -4.370 -3.250 6.564 1.00 0.30 ? 4 DA B "H1'" 4 +ATOM 2313 H H8 . DA B 1 4 ? -5.599 -2.940 2.969 1.00 0.33 ? 4 DA B H8 4 +ATOM 2314 H H61 . DA B 1 4 ? 0.387 -1.739 1.663 1.00 0.40 ? 4 DA B H61 4 +ATOM 2315 H H62 . DA B 1 4 ? -1.204 -1.974 0.937 1.00 0.42 ? 4 DA B H62 4 +ATOM 2316 H H2 . DA B 1 4 ? -0.077 -2.007 6.065 1.00 0.36 ? 4 DA B H2 4 +ATOM 2317 P P . DT B 1 5 ? -8.295 0.480 6.391 1.00 0.46 ? 5 DT B P 4 +ATOM 2318 O OP1 . DT B 1 5 ? -9.466 0.813 7.234 1.00 0.55 ? 5 DT B OP1 4 +ATOM 2319 O OP2 . DT B 1 5 ? -8.291 0.859 4.959 1.00 0.58 ? 5 DT B OP2 4 +ATOM 2320 O "O5'" . DT B 1 5 ? -6.981 1.131 7.063 1.00 0.38 ? 5 DT B "O5'" 4 +ATOM 2321 C "C5'" . DT B 1 5 ? -6.651 0.932 8.446 1.00 0.36 ? 5 DT B "C5'" 4 +ATOM 2322 C "C4'" . DT B 1 5 ? -5.317 1.567 8.810 1.00 0.39 ? 5 DT B "C4'" 4 +ATOM 2323 O "O4'" . DT B 1 5 ? -4.273 1.017 7.986 1.00 0.42 ? 5 DT B "O4'" 4 +ATOM 2324 C "C3'" . DT B 1 5 ? -5.298 3.088 8.671 1.00 0.36 ? 5 DT B "C3'" 4 +ATOM 2325 O "O3'" . DT B 1 5 ? -4.912 3.669 9.918 1.00 0.35 ? 5 DT B "O3'" 4 +ATOM 2326 C "C2'" . DT B 1 5 ? -4.273 3.322 7.557 1.00 0.37 ? 5 DT B "C2'" 4 +ATOM 2327 C "C1'" . DT B 1 5 ? -3.395 2.066 7.565 1.00 0.38 ? 5 DT B "C1'" 4 +ATOM 2328 N N1 . DT B 1 5 ? -2.949 1.740 6.184 1.00 0.34 ? 5 DT B N1 4 +ATOM 2329 C C2 . DT B 1 5 ? -1.595 1.697 5.901 1.00 0.31 ? 5 DT B C2 4 +ATOM 2330 O O2 . DT B 1 5 ? -0.714 1.899 6.731 1.00 0.34 ? 5 DT B O2 4 +ATOM 2331 N N3 . DT B 1 5 ? -1.263 1.402 4.596 1.00 0.29 ? 5 DT B N3 4 +ATOM 2332 C C4 . DT B 1 5 ? -2.134 1.147 3.567 1.00 0.29 ? 5 DT B C4 4 +ATOM 2333 O O4 . DT B 1 5 ? -1.680 0.911 2.449 1.00 0.30 ? 5 DT B O4 4 +ATOM 2334 C C5 . DT B 1 5 ? -3.528 1.203 3.946 1.00 0.30 ? 5 DT B C5 4 +ATOM 2335 C C7 . DT B 1 5 ? -4.626 0.917 2.920 1.00 0.27 ? 5 DT B C7 4 +ATOM 2336 C C6 . DT B 1 5 ? -3.879 1.494 5.210 1.00 0.32 ? 5 DT B C6 4 +ATOM 2337 H "H5'" . DT B 1 5 ? -6.581 -0.139 8.633 1.00 0.41 ? 5 DT B "H5'" 4 +ATOM 2338 H "H5''" . DT B 1 5 ? -7.415 1.364 9.091 1.00 0.46 ? 5 DT B "H5''" 4 +ATOM 2339 H "H4'" . DT B 1 5 ? -5.103 1.372 9.861 1.00 0.42 ? 5 DT B "H4'" 4 +ATOM 2340 H "H3'" . DT B 1 5 ? -6.314 3.429 8.472 1.00 0.42 ? 5 DT B "H3'" 4 +ATOM 2341 H "H2'" . DT B 1 5 ? -4.780 3.380 6.594 1.00 0.38 ? 5 DT B "H2'" 4 +ATOM 2342 H "H2''" . DT B 1 5 ? -3.689 4.237 7.657 1.00 0.40 ? 5 DT B "H2''" 4 +ATOM 2343 H "H1'" . DT B 1 5 ? -2.588 2.152 8.292 1.00 0.43 ? 5 DT B "H1'" 4 +ATOM 2344 H H3 . DT B 1 5 ? -0.285 1.373 4.353 1.00 0.29 ? 5 DT B H3 4 +ATOM 2345 H H71 . DT B 1 5 ? -4.190 0.779 1.932 1.00 0.32 ? 5 DT B H71 4 +ATOM 2346 H H72 . DT B 1 5 ? -5.149 0.007 3.213 1.00 0.31 ? 5 DT B H72 4 +ATOM 2347 H H73 . DT B 1 5 ? -5.346 1.736 2.903 1.00 0.23 ? 5 DT B H73 4 +ATOM 2348 H H6 . DT B 1 5 ? -4.936 1.545 5.475 1.00 0.34 ? 5 DT B H6 4 +ATOM 2349 P P . DG B 1 6 ? -5.037 5.250 10.208 1.00 0.40 ? 6 DG B P 4 +ATOM 2350 O OP1 . DG B 1 6 ? -5.208 5.426 11.667 1.00 0.52 ? 6 DG B OP1 4 +ATOM 2351 O OP2 . DG B 1 6 ? -6.025 5.828 9.272 1.00 0.46 ? 6 DG B OP2 4 +ATOM 2352 O "O5'" . DG B 1 6 ? -3.588 5.804 9.797 1.00 0.44 ? 6 DG B "O5'" 4 +ATOM 2353 C "C5'" . DG B 1 6 ? -2.446 5.390 10.555 1.00 0.44 ? 6 DG B "C5'" 4 +ATOM 2354 C "C4'" . DG B 1 6 ? -1.214 6.215 10.248 1.00 0.39 ? 6 DG B "C4'" 4 +ATOM 2355 O "O4'" . DG B 1 6 ? -0.819 6.139 8.857 1.00 0.35 ? 6 DG B "O4'" 4 +ATOM 2356 C "C3'" . DG B 1 6 ? -1.413 7.689 10.581 1.00 0.42 ? 6 DG B "C3'" 4 +ATOM 2357 O "O3'" . DG B 1 6 ? -0.280 8.155 11.313 1.00 0.42 ? 6 DG B "O3'" 4 +ATOM 2358 C "C2'" . DG B 1 6 ? -1.559 8.309 9.207 1.00 0.35 ? 6 DG B "C2'" 4 +ATOM 2359 C "C1'" . DG B 1 6 ? -0.688 7.460 8.297 1.00 0.30 ? 6 DG B "C1'" 4 +ATOM 2360 N N9 . DG B 1 6 ? -1.199 7.459 6.901 1.00 0.30 ? 6 DG B N9 4 +ATOM 2361 C C8 . DG B 1 6 ? -2.465 7.254 6.429 1.00 0.35 ? 6 DG B C8 4 +ATOM 2362 N N7 . DG B 1 6 ? -2.614 7.294 5.129 1.00 0.34 ? 6 DG B N7 4 +ATOM 2363 C C5 . DG B 1 6 ? -1.306 7.551 4.693 1.00 0.29 ? 6 DG B C5 4 +ATOM 2364 C C6 . DG B 1 6 ? -0.778 7.711 3.368 1.00 0.29 ? 6 DG B C6 4 +ATOM 2365 O O6 . DG B 1 6 ? -1.330 7.664 2.269 1.00 0.33 ? 6 DG B O6 4 +ATOM 2366 N N1 . DG B 1 6 ? 0.573 7.948 3.392 1.00 0.27 ? 6 DG B N1 4 +ATOM 2367 C C2 . DG B 1 6 ? 1.340 8.033 4.527 1.00 0.24 ? 6 DG B C2 4 +ATOM 2368 N N2 . DG B 1 6 ? 2.621 8.281 4.368 1.00 0.25 ? 6 DG B N2 4 +ATOM 2369 N N3 . DG B 1 6 ? 0.875 7.891 5.760 1.00 0.24 ? 6 DG B N3 4 +ATOM 2370 C C4 . DG B 1 6 ? -0.452 7.651 5.770 1.00 0.26 ? 6 DG B C4 4 +ATOM 2371 H "H5'" . DG B 1 6 ? -2.225 4.347 10.330 1.00 0.48 ? 6 DG B "H5'" 4 +ATOM 2372 H "H5''" . DG B 1 6 ? -2.662 5.486 11.618 1.00 0.48 ? 6 DG B "H5''" 4 +ATOM 2373 H "H4'" . DG B 1 6 ? -0.442 5.820 10.908 1.00 0.42 ? 6 DG B "H4'" 4 +ATOM 2374 H "H3'" . DG B 1 6 ? -2.306 7.812 11.194 1.00 0.53 ? 6 DG B "H3'" 4 +ATOM 2375 H "H2'" . DG B 1 6 ? -2.605 8.221 8.910 1.00 0.39 ? 6 DG B "H2'" 4 +ATOM 2376 H "H2''" . DG B 1 6 ? -1.314 9.370 9.158 1.00 0.36 ? 6 DG B "H2''" 4 +ATOM 2377 H "H1'" . DG B 1 6 ? 0.353 7.780 8.332 1.00 0.34 ? 6 DG B "H1'" 4 +ATOM 2378 H H8 . DG B 1 6 ? -3.295 7.056 7.107 1.00 0.40 ? 6 DG B H8 4 +ATOM 2379 H H1 . DG B 1 6 ? 0.989 8.041 2.476 1.00 0.28 ? 6 DG B H1 4 +ATOM 2380 H H21 . DG B 1 6 ? 3.003 8.285 3.434 1.00 0.31 ? 6 DG B H21 4 +ATOM 2381 H H22 . DG B 1 6 ? 3.195 8.463 5.177 1.00 0.28 ? 6 DG B H22 4 +ATOM 2382 P P . DT B 1 7 ? -0.219 9.583 12.061 1.00 0.50 ? 7 DT B P 4 +ATOM 2383 O OP1 . DT B 1 7 ? 0.412 9.359 13.379 1.00 0.53 ? 7 DT B OP1 4 +ATOM 2384 O OP2 . DT B 1 7 ? -1.536 10.253 11.971 1.00 0.61 ? 7 DT B OP2 4 +ATOM 2385 O "O5'" . DT B 1 7 ? 0.800 10.398 11.128 1.00 0.51 ? 7 DT B "O5'" 4 +ATOM 2386 C "C5'" . DT B 1 7 ? 2.188 10.047 11.041 1.00 0.48 ? 7 DT B "C5'" 4 +ATOM 2387 C "C4'" . DT B 1 7 ? 2.844 10.720 9.847 1.00 0.42 ? 7 DT B "C4'" 4 +ATOM 2388 O "O4'" . DT B 1 7 ? 2.272 10.267 8.602 1.00 0.34 ? 7 DT B "O4'" 4 +ATOM 2389 C "C3'" . DT B 1 7 ? 2.687 12.251 9.914 1.00 0.47 ? 7 DT B "C3'" 4 +ATOM 2390 O "O3'" . DT B 1 7 ? 3.880 12.952 9.573 1.00 0.50 ? 7 DT B "O3'" 4 +ATOM 2391 C "C2'" . DT B 1 7 ? 1.762 12.472 8.755 1.00 0.41 ? 7 DT B "C2'" 4 +ATOM 2392 C "C1'" . DT B 1 7 ? 2.211 11.420 7.769 1.00 0.30 ? 7 DT B "C1'" 4 +ATOM 2393 N N1 . DT B 1 7 ? 1.275 11.248 6.642 1.00 0.29 ? 7 DT B N1 4 +ATOM 2394 C C2 . DT B 1 7 ? 1.816 11.199 5.372 1.00 0.28 ? 7 DT B C2 4 +ATOM 2395 O O2 . DT B 1 7 ? 3.017 11.278 5.135 1.00 0.28 ? 7 DT B O2 4 +ATOM 2396 N N3 . DT B 1 7 ? 0.930 11.051 4.346 1.00 0.37 ? 7 DT B N3 4 +ATOM 2397 C C4 . DT B 1 7 ? -0.430 10.946 4.455 1.00 0.46 ? 7 DT B C4 4 +ATOM 2398 O O4 . DT B 1 7 ? -1.093 10.814 3.434 1.00 0.56 ? 7 DT B O4 4 +ATOM 2399 C C5 . DT B 1 7 ? -0.927 11.001 5.807 1.00 0.47 ? 7 DT B C5 4 +ATOM 2400 C C7 . DT B 1 7 ? -2.426 10.900 6.070 1.00 0.65 ? 7 DT B C7 4 +ATOM 2401 C C6 . DT B 1 7 ? -0.079 11.148 6.839 1.00 0.40 ? 7 DT B C6 4 +ATOM 2402 H "H5'" . DT B 1 7 ? 2.287 8.968 10.927 1.00 0.51 ? 7 DT B "H5'" 4 +ATOM 2403 H "H5''" . DT B 1 7 ? 2.695 10.360 11.954 1.00 0.56 ? 7 DT B "H5''" 4 +ATOM 2404 H "H4'" . DT B 1 7 ? 3.911 10.501 9.806 1.00 0.44 ? 7 DT B "H4'" 4 +ATOM 2405 H "H3'" . DT B 1 7 ? 2.335 12.579 10.891 1.00 0.61 ? 7 DT B "H3'" 4 +ATOM 2406 H "H2'" . DT B 1 7 ? 0.718 12.336 9.036 1.00 0.50 ? 7 DT B "H2'" 4 +ATOM 2407 H "H2''" . DT B 1 7 ? 1.903 13.456 8.309 1.00 0.44 ? 7 DT B "H2''" 4 +ATOM 2408 H "H1'" . DT B 1 7 ? 3.213 11.674 7.423 1.00 0.31 ? 7 DT B "H1'" 4 +ATOM 2409 H H3 . DT B 1 7 ? 1.324 11.008 3.418 1.00 0.39 ? 7 DT B H3 4 +ATOM 2410 H H71 . DT B 1 7 ? -2.760 11.815 6.559 1.00 0.74 ? 7 DT B H71 4 +ATOM 2411 H H72 . DT B 1 7 ? -2.967 10.775 5.132 1.00 0.74 ? 7 DT B H72 4 +ATOM 2412 H H73 . DT B 1 7 ? -2.619 10.046 6.719 1.00 0.72 ? 7 DT B H73 4 +ATOM 2413 H H6 . DT B 1 7 ? -0.488 11.183 7.849 1.00 0.47 ? 7 DT B H6 4 +ATOM 2414 P P . DC B 1 8 ? 5.136 13.051 10.552 1.00 0.75 ? 8 DC B P 4 +ATOM 2415 O OP1 . DC B 1 8 ? 5.762 11.712 10.640 1.00 0.71 ? 8 DC B OP1 4 +ATOM 2416 O OP2 . DC B 1 8 ? 4.728 13.768 11.779 1.00 0.99 ? 8 DC B OP2 4 +ATOM 2417 O "O5'" . DC B 1 8 ? 6.095 14.028 9.707 1.00 0.87 ? 8 DC B "O5'" 4 +ATOM 2418 C "C5'" . DC B 1 8 ? 6.836 13.607 8.555 1.00 0.90 ? 8 DC B "C5'" 4 +ATOM 2419 C "C4'" . DC B 1 8 ? 6.287 14.175 7.239 1.00 0.83 ? 8 DC B "C4'" 4 +ATOM 2420 O "O4'" . DC B 1 8 ? 4.972 13.736 6.846 1.00 0.66 ? 8 DC B "O4'" 4 +ATOM 2421 C "C3'" . DC B 1 8 ? 6.130 15.691 7.297 1.00 0.92 ? 8 DC B "C3'" 4 +ATOM 2422 O "O3'" . DC B 1 8 ? 7.351 16.419 7.186 1.00 1.10 ? 8 DC B "O3'" 4 +ATOM 2423 C "C2'" . DC B 1 8 ? 5.183 15.965 6.126 1.00 0.83 ? 8 DC B "C2'" 4 +ATOM 2424 C "C1'" . DC B 1 8 ? 4.550 14.635 5.794 1.00 0.69 ? 8 DC B "C1'" 4 +ATOM 2425 N N1 . DC B 1 8 ? 3.080 14.718 5.672 1.00 0.58 ? 8 DC B N1 4 +ATOM 2426 C C2 . DC B 1 8 ? 2.494 14.277 4.495 1.00 0.50 ? 8 DC B C2 4 +ATOM 2427 O O2 . DC B 1 8 ? 3.148 13.848 3.550 1.00 0.58 ? 8 DC B O2 4 +ATOM 2428 N N3 . DC B 1 8 ? 1.151 14.340 4.382 1.00 0.41 ? 8 DC B N3 4 +ATOM 2429 C C4 . DC B 1 8 ? 0.405 14.815 5.376 1.00 0.43 ? 8 DC B C4 4 +ATOM 2430 N N4 . DC B 1 8 ? -0.905 14.848 5.196 1.00 0.45 ? 8 DC B N4 4 +ATOM 2431 C C5 . DC B 1 8 ? 0.983 15.277 6.596 1.00 0.52 ? 8 DC B C5 4 +ATOM 2432 C C6 . DC B 1 8 ? 2.327 15.209 6.697 1.00 0.58 ? 8 DC B C6 4 +ATOM 2433 H "H5'" . DC B 1 8 ? 6.870 12.519 8.499 1.00 0.86 ? 8 DC B "H5'" 4 +ATOM 2434 H "H5''" . DC B 1 8 ? 7.857 13.965 8.685 1.00 1.12 ? 8 DC B "H5''" 4 +ATOM 2435 H "H4'" . DC B 1 8 ? 7.040 13.909 6.497 1.00 0.91 ? 8 DC B "H4'" 4 +ATOM 2436 H "H3'" . DC B 1 8 ? 5.657 15.912 8.254 1.00 0.95 ? 8 DC B "H3'" 4 +ATOM 2437 H "HO3'" . DC B 1 8 ? 7.889 16.164 7.938 1.00 1.17 ? 8 DC B "HO3'" 4 +ATOM 2438 H "H2'" . DC B 1 8 ? 4.409 16.684 6.396 1.00 0.82 ? 8 DC B "H2'" 4 +ATOM 2439 H "H2''" . DC B 1 8 ? 5.683 16.264 5.205 1.00 0.91 ? 8 DC B "H2''" 4 +ATOM 2440 H "H1'" . DC B 1 8 ? 4.966 14.400 4.815 1.00 0.74 ? 8 DC B "H1'" 4 +ATOM 2441 H H41 . DC B 1 8 ? -1.264 14.515 4.308 1.00 0.45 ? 8 DC B H41 4 +ATOM 2442 H H42 . DC B 1 8 ? -1.523 15.193 5.915 1.00 0.52 ? 8 DC B H42 4 +ATOM 2443 H H5 . DC B 1 8 ? 0.352 15.666 7.395 1.00 0.60 ? 8 DC B H5 4 +ATOM 2444 H H6 . DC B 1 8 ? 2.832 15.551 7.600 1.00 0.68 ? 8 DC B H6 4 +HETATM 2445 C C1 . MNG C 2 . ? 2.871 -5.147 2.220 1.00 0.24 ? 9 MNG A C1 4 +HETATM 2446 C C2 . MNG C 2 . ? 2.524 -5.284 0.875 1.00 0.29 ? 9 MNG A C2 4 +HETATM 2447 C C3 . MNG C 2 . ? 1.200 -5.431 0.510 1.00 0.27 ? 9 MNG A C3 4 +HETATM 2448 C C4 . MNG C 2 . ? 0.193 -5.445 1.453 1.00 0.27 ? 9 MNG A C4 4 +HETATM 2449 C C5 . MNG C 2 . ? -0.521 -5.329 3.805 1.00 0.26 ? 9 MNG A C5 4 +HETATM 2450 C C6 . MNG C 2 . ? -1.240 -5.220 6.162 1.00 0.28 ? 9 MNG A C6 4 +HETATM 2451 C C7 . MNG C 2 . ? -2.052 -5.118 8.616 1.00 0.35 ? 9 MNG A C7 4 +HETATM 2452 C C8 . MNG C 2 . ? -1.502 -4.729 9.980 1.00 0.40 ? 9 MNG A C8 4 +HETATM 2453 C C9 . MNG C 2 . ? -0.161 -5.356 10.303 1.00 0.41 ? 9 MNG A C9 4 +HETATM 2454 C C10 . MNG C 2 . ? 0.872 -4.797 9.343 1.00 0.32 ? 9 MNG A C10 4 +HETATM 2455 C C11 . MNG C 2 . ? 1.394 -4.924 6.913 1.00 0.24 ? 9 MNG A C11 4 +HETATM 2456 C C12 . MNG C 2 . ? 2.149 -5.028 4.581 1.00 0.19 ? 9 MNG A C12 4 +HETATM 2457 C C16 . MNG C 2 . ? 1.858 -5.159 3.213 1.00 0.21 ? 9 MNG A C16 4 +HETATM 2458 C C17 . MNG C 2 . ? 0.487 -5.313 2.817 1.00 0.24 ? 9 MNG A C17 4 +HETATM 2459 C C18 . MNG C 2 . ? -0.222 -5.200 5.166 1.00 0.24 ? 9 MNG A C18 4 +HETATM 2460 C C19 . MNG C 2 . ? -0.932 -5.093 7.526 1.00 0.29 ? 9 MNG A C19 4 +HETATM 2461 C C20 . MNG C 2 . ? 0.414 -4.944 7.886 1.00 0.27 ? 9 MNG A C20 4 +HETATM 2462 C C21 . MNG C 2 . ? 1.126 -5.048 5.553 1.00 0.22 ? 9 MNG A C21 4 +HETATM 2463 C "C1'" . MNG C 2 . ? 5.247 -5.064 1.596 1.00 0.29 ? 9 MNG A "C1'" 4 +HETATM 2464 C "C2'" . MNG C 2 . ? 5.788 -6.526 1.434 1.00 0.30 ? 9 MNG A "C2'" 4 +HETATM 2465 C "C3'" . MNG C 2 . ? 4.665 -7.435 0.838 1.00 0.31 ? 9 MNG A "C3'" 4 +HETATM 2466 C "C4'" . MNG C 2 . ? 4.034 -6.749 -0.504 1.00 0.34 ? 9 MNG A "C4'" 4 +HETATM 2467 C "C5'" . MNG C 2 . ? 3.640 -5.272 -0.182 1.00 0.31 ? 9 MNG A "C5'" 4 +HETATM 2468 C C5M . MNG C 2 . ? 3.197 -4.543 -1.467 1.00 0.39 ? 9 MNG A C5M 4 +HETATM 2469 C C1M . MNG C 2 . ? 5.565 -9.151 -0.866 1.00 0.56 ? 9 MNG A C1M 4 +HETATM 2470 C C2M . MNG C 2 . ? 4.708 -9.933 1.385 1.00 0.31 ? 9 MNG A C2M 4 +HETATM 2471 C C7M . MNG C 2 . ? -4.293 -4.290 9.099 1.00 0.57 ? 9 MNG A C7M 4 +HETATM 2472 C C9M . MNG C 2 . ? -0.214 -6.882 10.211 1.00 0.45 ? 9 MNG A C9M 4 +HETATM 2473 O O1 . MNG C 2 . ? 4.211 -5.000 2.576 1.00 0.27 ? 9 MNG A O1 4 +HETATM 2474 O O4 . MNG C 2 . ? -1.097 -5.594 1.003 1.00 0.34 ? 9 MNG A O4 4 +HETATM 2475 O O5 . MNG C 2 . ? -1.722 -5.459 3.542 1.00 0.32 ? 9 MNG A O5 4 +HETATM 2476 O O6 . MNG C 2 . ? -2.558 -5.373 5.767 1.00 0.34 ? 9 MNG A O6 4 +HETATM 2477 O O7 . MNG C 2 . ? -3.114 -4.215 8.283 1.00 0.42 ? 9 MNG A O7 4 +HETATM 2478 O O9 . MNG C 2 . ? 0.184 -5.044 11.622 1.00 0.51 ? 9 MNG A O9 4 +HETATM 2479 O O12 . MNG C 2 . ? 3.314 -4.897 4.953 1.00 0.22 ? 9 MNG A O12 4 +HETATM 2480 O "O1'" . MNG C 2 . ? 4.785 -4.577 0.328 1.00 0.33 ? 9 MNG A "O1'" 4 +HETATM 2481 O "O2'" . MNG C 2 . ? 6.230 -7.044 2.682 1.00 0.30 ? 9 MNG A "O2'" 4 +HETATM 2482 O "O4'" . MNG C 2 . ? 2.897 -7.477 -0.959 1.00 0.37 ? 9 MNG A "O4'" 4 +HETATM 2483 N N1 . MNG C 2 . ? 5.186 -8.809 0.532 1.00 0.33 ? 9 MNG A N1 4 +HETATM 2484 H H3 . MNG C 2 . ? 0.963 -5.535 -0.538 1.00 0.30 ? 9 MNG A H3 4 +HETATM 2485 H H7 . MNG C 2 . ? -2.455 -6.135 8.718 1.00 0.37 ? 9 MNG A H7 4 +HETATM 2486 H H81 . MNG C 2 . ? -2.272 -4.991 10.719 1.00 0.47 ? 9 MNG A H81 4 +HETATM 2487 H H82 . MNG C 2 . ? -1.382 -3.637 10.013 1.00 0.43 ? 9 MNG A H82 4 +HETATM 2488 H H101 . MNG C 2 . ? 1.051 -3.730 9.535 1.00 0.33 ? 9 MNG A H101 4 +HETATM 2489 H H102 . MNG C 2 . ? 1.826 -5.311 9.520 1.00 0.35 ? 9 MNG A H102 4 +HETATM 2490 H H11 . MNG C 2 . ? 2.420 -4.806 7.226 1.00 0.27 ? 9 MNG A H11 4 +HETATM 2491 H "H1'" . MNG C 2 . ? 6.117 -4.467 1.904 1.00 0.32 ? 9 MNG A "H1'" 4 +HETATM 2492 H "H2'" . MNG C 2 . ? 6.663 -6.462 0.771 1.00 0.35 ? 9 MNG A "H2'" 4 +HETATM 2493 H "H3'" . MNG C 2 . ? 3.902 -7.514 1.623 1.00 0.31 ? 9 MNG A "H3'" 4 +HETATM 2494 H "H4'" . MNG C 2 . ? 4.741 -6.684 -1.344 1.00 0.37 ? 9 MNG A "H4'" 4 +HETATM 2495 H H5M1 . MNG C 2 . ? 4.025 -4.533 -2.161 1.00 0.42 ? 9 MNG A H5M1 4 +HETATM 2496 H H5M2 . MNG C 2 . ? 2.919 -3.523 -1.248 1.00 0.43 ? 9 MNG A H5M2 4 +HETATM 2497 H H5M3 . MNG C 2 . ? 2.371 -5.049 -1.945 1.00 0.43 ? 9 MNG A H5M3 4 +HETATM 2498 H H1M1 . MNG C 2 . ? 6.146 -10.062 -0.877 1.00 0.61 ? 9 MNG A H1M1 4 +HETATM 2499 H H1M2 . MNG C 2 . ? 6.159 -8.362 -1.303 1.00 0.69 ? 9 MNG A H1M2 4 +HETATM 2500 H H1M3 . MNG C 2 . ? 4.688 -9.298 -1.478 1.00 0.65 ? 9 MNG A H1M3 4 +HETATM 2501 H H2M1 . MNG C 2 . ? 3.703 -10.225 1.120 1.00 0.47 ? 9 MNG A H2M1 4 +HETATM 2502 H H2M2 . MNG C 2 . ? 4.722 -9.649 2.428 1.00 0.34 ? 9 MNG A H2M2 4 +HETATM 2503 H H2M3 . MNG C 2 . ? 5.353 -10.791 1.264 1.00 0.40 ? 9 MNG A H2M3 4 +HETATM 2504 H H7M1 . MNG C 2 . ? -4.712 -5.283 9.047 1.00 0.70 ? 9 MNG A H7M1 4 +HETATM 2505 H H7M2 . MNG C 2 . ? -4.062 -4.042 10.124 1.00 0.71 ? 9 MNG A H7M2 4 +HETATM 2506 H H7M3 . MNG C 2 . ? -5.020 -3.584 8.728 1.00 0.65 ? 9 MNG A H7M3 4 +HETATM 2507 H H9M1 . MNG C 2 . ? 0.752 -7.298 10.456 1.00 0.49 ? 9 MNG A H9M1 4 +HETATM 2508 H H9M2 . MNG C 2 . ? -0.480 -7.227 9.223 1.00 0.43 ? 9 MNG A H9M2 4 +HETATM 2509 H H9M3 . MNG C 2 . ? -0.935 -7.258 10.921 1.00 0.54 ? 9 MNG A H9M3 4 +HETATM 2510 H HO4 . MNG C 2 . ? -1.345 -4.851 0.452 1.00 0.36 ? 9 MNG A HO4 4 +HETATM 2511 H HO6 . MNG C 2 . ? -2.555 -5.522 4.796 1.00 0.36 ? 9 MNG A HO6 4 +HETATM 2512 H HO9 . MNG C 2 . ? 1.026 -5.453 11.833 1.00 0.51 ? 9 MNG A HO9 4 +HETATM 2513 H "HO2'" . MNG C 2 . ? 5.483 -7.210 3.277 1.00 0.30 ? 9 MNG A "HO2'" 4 +HETATM 2514 H "HO4'" . MNG C 2 . ? 2.449 -7.861 -0.202 1.00 0.42 ? 9 MNG A "HO4'" 4 +HETATM 2515 C C1 . MNG D 2 . ? -2.303 4.579 2.860 1.00 0.24 ? 9 MNG B C1 4 +HETATM 2516 C C2 . MNG D 2 . ? -2.480 4.633 1.476 1.00 0.22 ? 9 MNG B C2 4 +HETATM 2517 C C3 . MNG D 2 . ? -1.386 4.750 0.640 1.00 0.23 ? 9 MNG B C3 4 +HETATM 2518 C C4 . MNG D 2 . ? -0.103 4.818 1.142 1.00 0.22 ? 9 MNG B C4 4 +HETATM 2519 C C5 . MNG D 2 . ? 1.431 4.840 3.066 1.00 0.21 ? 9 MNG B C5 4 +HETATM 2520 C C6 . MNG D 2 . ? 2.971 4.871 4.993 1.00 0.24 ? 9 MNG B C6 4 +HETATM 2521 C C7 . MNG D 2 . ? 4.635 4.913 6.976 1.00 0.26 ? 9 MNG B C7 4 +HETATM 2522 C C8 . MNG D 2 . ? 4.634 4.607 8.466 1.00 0.33 ? 9 MNG B C8 4 +HETATM 2523 C C9 . MNG D 2 . ? 3.497 5.259 9.225 1.00 0.38 ? 9 MNG B C9 4 +HETATM 2524 C C10 . MNG D 2 . ? 2.192 4.650 8.749 1.00 0.35 ? 9 MNG B C10 4 +HETATM 2525 C C11 . MNG D 2 . ? 0.807 4.631 6.680 1.00 0.29 ? 9 MNG B C11 4 +HETATM 2526 C C12 . MNG D 2 . ? -0.759 4.599 4.791 1.00 0.25 ? 9 MNG B C12 4 +HETATM 2527 C C16 . MNG D 2 . ? -0.995 4.646 3.407 1.00 0.23 ? 9 MNG B C16 4 +HETATM 2528 C C17 . MNG D 2 . ? 0.131 4.770 2.523 1.00 0.20 ? 9 MNG B C17 4 +HETATM 2529 C C18 . MNG D 2 . ? 1.659 4.795 4.447 1.00 0.22 ? 9 MNG B C18 4 +HETATM 2530 C C19 . MNG D 2 . ? 3.191 4.827 6.380 1.00 0.25 ? 9 MNG B C19 4 +HETATM 2531 C C20 . MNG D 2 . ? 2.077 4.705 7.220 1.00 0.29 ? 9 MNG B C20 4 +HETATM 2532 C C21 . MNG D 2 . ? 0.552 4.674 5.313 1.00 0.25 ? 9 MNG B C21 4 +HETATM 2533 C "C1'" . MNG D 2 . ? -4.739 4.471 3.166 1.00 0.32 ? 9 MNG B "C1'" 4 +HETATM 2534 C "C2'" . MNG D 2 . ? -5.327 5.923 3.131 1.00 0.38 ? 9 MNG B "C2'" 4 +HETATM 2535 C "C3'" . MNG D 2 . ? -4.519 6.789 2.111 1.00 0.34 ? 9 MNG B "C3'" 4 +HETATM 2536 C "C4'" . MNG D 2 . ? -4.418 6.021 0.673 1.00 0.30 ? 9 MNG B "C4'" 4 +HETATM 2537 C "C5'" . MNG D 2 . ? -3.908 4.564 0.911 1.00 0.25 ? 9 MNG B "C5'" 4 +HETATM 2538 C C5M . MNG D 2 . ? -3.961 3.759 -0.405 1.00 0.27 ? 9 MNG B C5M 4 +HETATM 2539 C C1M . MNG D 2 . ? -6.016 8.401 0.765 1.00 0.71 ? 9 MNG B C1M 4 +HETATM 2540 C C2M . MNG D 2 . ? -4.403 9.312 2.493 1.00 0.44 ? 9 MNG B C2M 4 +HETATM 2541 C C7M . MNG D 2 . ? 6.909 4.104 6.641 1.00 0.48 ? 9 MNG B C7M 4 +HETATM 2542 C C9M . MNG D 2 . ? 3.484 6.777 9.035 1.00 0.40 ? 9 MNG B C9M 4 +HETATM 2543 O O1 . MNG D 2 . ? -3.413 4.461 3.695 1.00 0.29 ? 9 MNG B O1 4 +HETATM 2544 O O4 . MNG D 2 . ? 0.928 4.935 0.240 1.00 0.27 ? 9 MNG B O4 4 +HETATM 2545 O O5 . MNG D 2 . ? 2.448 4.948 2.373 1.00 0.24 ? 9 MNG B O5 4 +HETATM 2546 O O6 . MNG D 2 . ? 4.046 4.993 4.130 1.00 0.25 ? 9 MNG B O6 4 +HETATM 2547 O O7 . MNG D 2 . ? 5.513 3.987 6.325 1.00 0.35 ? 9 MNG B O7 4 +HETATM 2548 O O9 . MNG D 2 . ? 3.672 5.027 10.593 1.00 0.53 ? 9 MNG B O9 4 +HETATM 2549 O O12 . MNG D 2 . ? -1.700 4.495 5.574 1.00 0.33 ? 9 MNG B O12 4 +HETATM 2550 O "O1'" . MNG D 2 . ? -4.772 3.908 1.846 1.00 0.29 ? 9 MNG B "O1'" 4 +HETATM 2551 O "O2'" . MNG D 2 . ? -5.285 6.518 4.423 1.00 0.46 ? 9 MNG B "O2'" 4 +HETATM 2552 O "O4'" . MNG D 2 . ? -3.543 6.717 -0.213 1.00 0.34 ? 9 MNG B "O4'" 4 +HETATM 2553 N N1 . MNG D 2 . ? -5.140 8.143 1.940 1.00 0.46 ? 9 MNG B N1 4 +HETATM 2554 H H3 . MNG D 2 . ? -1.555 4.793 -0.426 1.00 0.25 ? 9 MNG B H3 4 +HETATM 2555 H H7 . MNG D 2 . ? 5.027 5.933 6.867 1.00 0.21 ? 9 MNG B H7 4 +HETATM 2556 H H81 . MNG D 2 . ? 5.617 4.909 8.855 1.00 0.34 ? 9 MNG B H81 4 +HETATM 2557 H H82 . MNG D 2 . ? 4.555 3.520 8.602 1.00 0.41 ? 9 MNG B H82 4 +HETATM 2558 H H101 . MNG D 2 . ? 2.119 3.597 9.053 1.00 0.36 ? 9 MNG B H101 4 +HETATM 2559 H H102 . MNG D 2 . ? 1.360 5.178 9.235 1.00 0.39 ? 9 MNG B H102 4 +HETATM 2560 H H11 . MNG D 2 . ? -0.030 4.539 7.357 1.00 0.35 ? 9 MNG B H11 4 +HETATM 2561 H "H1'" . MNG D 2 . ? -5.424 3.899 3.809 1.00 0.37 ? 9 MNG B "H1'" 4 +HETATM 2562 H "H2'" . MNG D 2 . ? -6.383 5.825 2.844 1.00 0.43 ? 9 MNG B "H2'" 4 +HETATM 2563 H "H3'" . MNG D 2 . ? -3.519 6.911 2.551 1.00 0.33 ? 9 MNG B "H3'" 4 +HETATM 2564 H "H4'" . MNG D 2 . ? -5.384 5.910 0.160 1.00 0.31 ? 9 MNG B "H4'" 4 +HETATM 2565 H H5M1 . MNG D 2 . ? -4.986 3.716 -0.742 1.00 0.28 ? 9 MNG B H5M1 4 +HETATM 2566 H H5M2 . MNG D 2 . ? -3.607 2.750 -0.247 1.00 0.31 ? 9 MNG B H5M2 4 +HETATM 2567 H H5M3 . MNG D 2 . ? -3.376 4.232 -1.179 1.00 0.31 ? 9 MNG B H5M3 4 +HETATM 2568 H H1M1 . MNG D 2 . ? -6.574 9.314 0.917 1.00 0.82 ? 9 MNG B H1M1 4 +HETATM 2569 H H1M2 . MNG D 2 . ? -6.718 7.592 0.628 1.00 0.79 ? 9 MNG B H1M2 4 +HETATM 2570 H H1M3 . MNG D 2 . ? -5.429 8.502 -0.137 1.00 0.79 ? 9 MNG B H1M3 4 +HETATM 2571 H H2M1 . MNG D 2 . ? -3.570 9.586 1.862 1.00 0.57 ? 9 MNG B H2M1 4 +HETATM 2572 H H2M2 . MNG D 2 . ? -4.030 9.091 3.481 1.00 0.42 ? 9 MNG B H2M2 4 +HETATM 2573 H H2M3 . MNG D 2 . ? -5.063 10.164 2.570 1.00 0.56 ? 9 MNG B H2M3 4 +HETATM 2574 H H7M1 . MNG D 2 . ? 7.262 5.090 6.382 1.00 0.57 ? 9 MNG B H7M1 4 +HETATM 2575 H H7M2 . MNG D 2 . ? 7.079 3.916 7.691 1.00 0.59 ? 9 MNG B H7M2 4 +HETATM 2576 H H7M3 . MNG D 2 . ? 7.460 3.373 6.066 1.00 0.61 ? 9 MNG B H7M3 4 +HETATM 2577 H H9M1 . MNG D 2 . ? 2.671 7.208 9.599 1.00 0.47 ? 9 MNG B H9M1 4 +HETATM 2578 H H9M2 . MNG D 2 . ? 3.356 7.063 8.001 1.00 0.38 ? 9 MNG B H9M2 4 +HETATM 2579 H H9M3 . MNG D 2 . ? 4.411 7.192 9.403 1.00 0.46 ? 9 MNG B H9M3 4 +HETATM 2580 H HO4 . MNG D 2 . ? 0.973 4.158 -0.320 1.00 0.33 ? 9 MNG B HO4 4 +HETATM 2581 H HO6 . MNG D 2 . ? 3.683 5.078 3.222 1.00 0.27 ? 9 MNG B HO6 4 +HETATM 2582 H HO9 . MNG D 2 . ? 2.962 5.450 11.078 1.00 0.56 ? 9 MNG B HO9 4 +HETATM 2583 H "HO2'" . MNG D 2 . ? -4.373 6.712 4.686 1.00 0.44 ? 9 MNG B "HO2'" 4 +HETATM 2584 H "HO4'" . MNG D 2 . ? -2.852 7.145 0.300 1.00 0.42 ? 9 MNG B "HO4'" 4 +# diff --git a/lib/io/data/2qwo.pdb b/lib/io/data/2qwo.pdb new file mode 100644 index 000000000..afd1253ad --- /dev/null +++ b/lib/io/data/2qwo.pdb @@ -0,0 +1,4820 @@ +HEADER CHAPERONE 10-AUG-07 2QWO +TITLE CRYSTAL STRUCTURE OF DISULFIDE-BOND-CROSSLINKED COMPLEX OF BOVINE +TITLE 2 HSC70 (1-394AA)R171C AND BOVINE AUXILIN (810-910AA)D876C IN THE +TITLE 3 ADP*PI FORM #1 +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: HEAT SHOCK COGNATE 71 KDA PROTEIN; +COMPND 3 CHAIN: A; +COMPND 4 SYNONYM: HEAT SHOCK 70 KDA PROTEIN 8; +COMPND 5 ENGINEERED: YES; +COMPND 6 MUTATION: YES; +COMPND 7 MOL_ID: 2; +COMPND 8 MOLECULE: PUTATIVE TYROSINE-PROTEIN PHOSPHATASE AUXILIN; +COMPND 9 CHAIN: B; +COMPND 10 SYNONYM: DNAJ HOMOLOG SUBFAMILY C MEMBER 6; +COMPND 11 EC: 3.1.3.48; +COMPND 12 ENGINEERED: YES; +COMPND 13 MUTATION: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; +SOURCE 3 ORGANISM_COMMON: CATTLE; +SOURCE 4 ORGANISM_TAXID: 9913; +SOURCE 5 GENE: HSPA8, HSC70; +SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS; +SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PRSET; +SOURCE 11 MOL_ID: 2; +SOURCE 12 ORGANISM_SCIENTIFIC: BOS TAURUS; +SOURCE 13 ORGANISM_COMMON: CATTLE; +SOURCE 14 ORGANISM_TAXID: 9913; +SOURCE 15 GENE: DNAJC6; +SOURCE 16 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); +SOURCE 17 EXPRESSION_SYSTEM_TAXID: 469008; +SOURCE 18 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); +SOURCE 19 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 20 EXPRESSION_SYSTEM_PLASMID: PGEX4T1 +KEYWDS CHAPERONE-COCHAPERONE COMPLEX, ATP-BINDING, NUCLEOTIDE-BINDING, +KEYWDS 2 NUCLEUS, PHOSPHORYLATION, STRESS RESPONSE, HYDROLASE, PROTEIN +KEYWDS 3 PHOSPHATASE, SH3-BINDING, CHAPERONE +EXPDTA X-RAY DIFFRACTION +AUTHOR J.JIANG,E.G.MAES,L.WANG,A.B.TAYLOR,A.P.HINCK,E.M.LAFER,R.SOUSA +REVDAT 5 20-OCT-21 2QWO 1 REMARK SEQADV LINK +REVDAT 4 25-OCT-17 2QWO 1 REMARK +REVDAT 3 13-JUL-11 2QWO 1 VERSN +REVDAT 2 24-FEB-09 2QWO 1 VERSN +REVDAT 1 18-DEC-07 2QWO 0 +JRNL AUTH J.JIANG,E.G.MAES,A.B.TAYLOR,L.WANG,A.P.HINCK,E.M.LAFER, +JRNL AUTH 2 R.SOUSA +JRNL TITL STRUCTURAL BASIS OF J COCHAPERONE BINDING AND REGULATION OF +JRNL TITL 2 HSP70. +JRNL REF MOL.CELL V. 28 422 2007 +JRNL REFN ISSN 1097-2765 +JRNL PMID 17996706 +JRNL DOI 10.1016/J.MOLCEL.2007.08.022 +REMARK 2 +REMARK 2 RESOLUTION. 1.70 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : REFMAC 5.2.0019 +REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +REMARK 3 : NICHOLLS,WINN,LONG,VAGIN +REMARK 3 +REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.69 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : 98.0 +REMARK 3 NUMBER OF REFLECTIONS : 56429 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING + TEST SET) : 0.194 +REMARK 3 R VALUE (WORKING SET) : 0.193 +REMARK 3 FREE R VALUE : 0.222 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 +REMARK 3 FREE R VALUE TEST SET COUNT : 2861 +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : 20 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.70 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.75 +REMARK 3 REFLECTION IN BIN (WORKING SET) : 3192 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 80.33 +REMARK 3 BIN R VALUE (WORKING SET) : 0.2790 +REMARK 3 BIN FREE R VALUE SET COUNT : 177 +REMARK 3 BIN FREE R VALUE : 0.3210 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 3745 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 51 +REMARK 3 SOLVENT ATOMS : 348 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 28.20 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : -0.01000 +REMARK 3 B22 (A**2) : 0.02000 +REMARK 3 B33 (A**2) : -0.01000 +REMARK 3 B12 (A**2) : 0.00000 +REMARK 3 B13 (A**2) : 0.00000 +REMARK 3 B23 (A**2) : 0.00000 +REMARK 3 +REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. +REMARK 3 ESU BASED ON R VALUE (A): 0.113 +REMARK 3 ESU BASED ON FREE R VALUE (A): 0.108 +REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.076 +REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.912 +REMARK 3 +REMARK 3 CORRELATION COEFFICIENTS. +REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.960 +REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.947 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT +REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3857 ; 0.011 ; 0.022 +REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 5214 ; 1.217 ; 1.967 +REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL +REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 477 ; 5.017 ; 5.000 +REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 176 ;35.287 ;24.659 +REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 682 ;14.034 ;15.000 +REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 24 ;14.636 ;15.000 +REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 585 ; 0.082 ; 0.200 +REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2873 ; 0.004 ; 0.020 +REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1792 ; 0.196 ; 0.200 +REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL +REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 2686 ; 0.295 ; 0.200 +REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 306 ; 0.124 ; 0.200 +REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 45 ; 0.209 ; 0.200 +REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 16 ; 0.145 ; 0.200 +REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL +REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 2379 ; 0.534 ; 1.500 +REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 3835 ; 0.948 ; 2.000 +REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1520 ; 1.682 ; 3.000 +REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1379 ; 2.662 ; 4.500 +REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT +REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS STATISTICS +REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : MASK +REMARK 3 PARAMETERS FOR MASK CALCULATION +REMARK 3 VDW PROBE RADIUS : 1.20 +REMARK 3 ION PROBE RADIUS : 0.80 +REMARK 3 SHRINKAGE RADIUS : 0.80 +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING +REMARK 3 POSITIONS +REMARK 4 +REMARK 4 2QWO COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-SEP-07. +REMARK 100 THE DEPOSITION ID IS D_1000044138. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 03-FEB-07 +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : 8.5 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : ALS +REMARK 200 BEAMLINE : 5.0.1 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.00 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : NULL +REMARK 200 DETECTOR MANUFACTURER : NULL +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO, D*TREK +REMARK 200 DATA SCALING SOFTWARE : D*TREK, SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 56529 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 +REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 98.2 +REMARK 200 DATA REDUNDANCY : 6.500 +REMARK 200 R MERGE (I) : 0.06400 +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 12.3000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.76 +REMARK 200 COMPLETENESS FOR SHELL (%) : 84.7 +REMARK 200 DATA REDUNDANCY IN SHELL : 4.00 +REMARK 200 R MERGE FOR SHELL (I) : 0.49600 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: MOLREP +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 48.05 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.37 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: PEG3350, AMMONIUM ACETATE, PH 8.5, +REMARK 280 MICROBATCH UNDER OIL, TEMPERATURE 289K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 19.34900 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 113.11800 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.27150 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 113.11800 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 19.34900 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 29.27150 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 3090 ANGSTROM**2 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 MET A 1 +REMARK 465 SER A 2 +REMARK 465 LYS A 3 +REMARK 465 LEU A 391 +REMARK 465 LEU A 392 +REMARK 465 LEU A 393 +REMARK 465 LEU A 394 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 NE2 GLN A 389 O HOH A 3434 2.05 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION +REMARK 500 ASP A 46 CG ASP A 46 OD2 0.214 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 ASP A 46 CB - CG - OD2 ANGL. DEV. = -6.5 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ASN A 62 57.84 -141.56 +REMARK 500 CYS A 171 146.76 -170.28 +REMARK 500 LYS A 361 11.20 -143.97 +REMARK 500 GLU A 386 -164.60 81.81 +REMARK 500 ASN A 387 -70.79 45.88 +REMARK 500 VAL A 388 -69.15 -169.16 +REMARK 500 GLN A 389 21.37 175.62 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 620 +REMARK 620 METAL COORDINATION +REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 NA A 489 NA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP A 10 OD2 +REMARK 620 2 TYR A 15 O 125.0 +REMARK 620 3 ADP A 487 O3B 115.5 98.4 +REMARK 620 4 HOH A3182 O 98.9 102.5 117.0 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 NA A 490 NA +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ASP A 199 OD1 +REMARK 620 2 THR A 204 OG1 168.7 +REMARK 620 3 ASP A 206 OD2 115.8 73.3 +REMARK 620 4 PO4 A 488 O4 101.9 81.1 104.8 +REMARK 620 N 1 2 3 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 MG A 491 MG +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 ADP A 487 O3B +REMARK 620 2 PO4 A 488 O4 95.8 +REMARK 620 3 HOH A3167 O 90.4 90.8 +REMARK 620 4 HOH A3193 O 85.1 176.7 92.4 +REMARK 620 5 HOH A3433 O 174.0 89.9 87.5 89.4 +REMARK 620 6 HOH A3435 O 89.1 90.6 178.6 86.2 92.8 +REMARK 620 N 1 2 3 4 5 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 488 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 489 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 490 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 491 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ADP A 487 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACY A 1022 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC7 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 3147 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC8 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 3148 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 2QWL RELATED DB: PDB +REMARK 900 RELATED ID: 2QWM RELATED DB: PDB +REMARK 900 RELATED ID: 2QWN RELATED DB: PDB +REMARK 900 RELATED ID: 2QWP RELATED DB: PDB +REMARK 900 RELATED ID: 2QWQ RELATED DB: PDB +REMARK 900 RELATED ID: 2QWR RELATED DB: PDB +DBREF 2QWO A 1 394 UNP P19120 HSP7C_BOVIN 1 394 +DBREF 2QWO B 813 904 UNP Q27974 AUXI_BOVIN 813 904 +SEQADV 2QWO CYS A 171 UNP P19120 ARG 171 ENGINEERED MUTATION +SEQADV 2QWO CYS B 876 UNP Q27974 ASP 876 ENGINEERED MUTATION +SEQRES 1 A 394 MET SER LYS GLY PRO ALA VAL GLY ILE ASP LEU GLY THR +SEQRES 2 A 394 THR TYR SER CYS VAL GLY VAL PHE GLN HIS GLY LYS VAL +SEQRES 3 A 394 GLU ILE ILE ALA ASN ASP GLN GLY ASN ARG THR THR PRO +SEQRES 4 A 394 SER TYR VAL ALA PHE THR ASP THR GLU ARG LEU ILE GLY +SEQRES 5 A 394 ASP ALA ALA LYS ASN GLN VAL ALA MET ASN PRO THR ASN +SEQRES 6 A 394 THR VAL PHE ASP ALA LYS ARG LEU ILE GLY ARG ARG PHE +SEQRES 7 A 394 ASP ASP ALA VAL VAL GLN SER ASP MET LYS HIS TRP PRO +SEQRES 8 A 394 PHE MET VAL VAL ASN ASP ALA GLY ARG PRO LYS VAL GLN +SEQRES 9 A 394 VAL GLU TYR LYS GLY GLU THR LYS SER PHE TYR PRO GLU +SEQRES 10 A 394 GLU VAL SER SER MET VAL LEU THR LYS MET LYS GLU ILE +SEQRES 11 A 394 ALA GLU ALA TYR LEU GLY LYS THR VAL THR ASN ALA VAL +SEQRES 12 A 394 VAL THR VAL PRO ALA TYR PHE ASN ASP SER GLN ARG GLN +SEQRES 13 A 394 ALA THR LYS ASP ALA GLY THR ILE ALA GLY LEU ASN VAL +SEQRES 14 A 394 LEU CYS ILE ILE ASN GLU PRO THR ALA ALA ALA ILE ALA +SEQRES 15 A 394 TYR GLY LEU ASP LYS LYS VAL GLY ALA GLU ARG ASN VAL +SEQRES 16 A 394 LEU ILE PHE ASP LEU GLY GLY GLY THR PHE ASP VAL SER +SEQRES 17 A 394 ILE LEU THR ILE GLU ASP GLY ILE PHE GLU VAL LYS SER +SEQRES 18 A 394 THR ALA GLY ASP THR HIS LEU GLY GLY GLU ASP PHE ASP +SEQRES 19 A 394 ASN ARG MET VAL ASN HIS PHE ILE ALA GLU PHE LYS ARG +SEQRES 20 A 394 LYS HIS LYS LYS ASP ILE SER GLU ASN LYS ARG ALA VAL +SEQRES 21 A 394 ARG ARG LEU ARG THR ALA CYS GLU ARG ALA LYS ARG THR +SEQRES 22 A 394 LEU SER SER SER THR GLN ALA SER ILE GLU ILE ASP SER +SEQRES 23 A 394 LEU TYR GLU GLY ILE ASP PHE TYR THR SER ILE THR ARG +SEQRES 24 A 394 ALA ARG PHE GLU GLU LEU ASN ALA ASP LEU PHE ARG GLY +SEQRES 25 A 394 THR LEU ASP PRO VAL GLU LYS ALA LEU ARG ASP ALA LYS +SEQRES 26 A 394 LEU ASP LYS SER GLN ILE HIS ASP ILE VAL LEU VAL GLY +SEQRES 27 A 394 GLY SER THR ARG ILE PRO LYS ILE GLN LYS LEU LEU GLN +SEQRES 28 A 394 ASP PHE PHE ASN GLY LYS GLU LEU ASN LYS SER ILE ASN +SEQRES 29 A 394 PRO ASP GLU ALA VAL ALA TYR GLY ALA ALA VAL GLN ALA +SEQRES 30 A 394 ALA ILE LEU SER GLY ASP LYS SER GLU ASN VAL GLN ASP +SEQRES 31 A 394 LEU LEU LEU LEU +SEQRES 1 B 92 ASP PRO GLU LYS LEU LYS ILE LEU GLU TRP ILE GLU GLY +SEQRES 2 B 92 LYS GLU ARG ASN ILE ARG ALA LEU LEU SER THR MET HIS +SEQRES 3 B 92 THR VAL LEU TRP ALA GLY GLU THR LYS TRP LYS PRO VAL +SEQRES 4 B 92 GLY MET ALA ASP LEU VAL THR PRO GLU GLN VAL LYS LYS +SEQRES 5 B 92 VAL TYR ARG LYS ALA VAL LEU VAL VAL HIS PRO CYS LYS +SEQRES 6 B 92 ALA THR GLY GLN PRO TYR GLU GLN TYR ALA LYS MET ILE +SEQRES 7 B 92 PHE MET GLU LEU ASN ASP ALA TRP SER GLU PHE GLU ASN +SEQRES 8 B 92 GLN +HET PO4 A 488 5 +HET NA A 489 1 +HET NA A 490 1 +HET MG A 491 1 +HET ADP A 487 27 +HET ACY A1022 4 +HET GOL A3147 6 +HET GOL A3148 6 +HETNAM PO4 PHOSPHATE ION +HETNAM NA SODIUM ION +HETNAM MG MAGNESIUM ION +HETNAM ADP ADENOSINE-5'-DIPHOSPHATE +HETNAM ACY ACETIC ACID +HETNAM GOL GLYCEROL +HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL +FORMUL 3 PO4 O4 P 3- +FORMUL 4 NA 2(NA 1+) +FORMUL 6 MG MG 2+ +FORMUL 7 ADP C10 H15 N5 O10 P2 +FORMUL 8 ACY C2 H4 O2 +FORMUL 9 GOL 2(C3 H8 O3) +FORMUL 11 HOH *348(H2 O) +HELIX 1 1 GLY A 52 GLN A 58 1 7 +HELIX 2 2 ASN A 62 THR A 64 5 3 +HELIX 3 3 ASP A 69 ILE A 74 1 6 +HELIX 4 4 ASP A 80 MET A 87 1 8 +HELIX 5 5 LYS A 88 TRP A 90 5 3 +HELIX 6 6 TYR A 115 GLY A 136 1 22 +HELIX 7 7 ASN A 151 ALA A 165 1 15 +HELIX 8 8 GLU A 175 TYR A 183 1 9 +HELIX 9 9 GLY A 184 LYS A 188 5 5 +HELIX 10 10 GLY A 229 LYS A 250 1 22 +HELIX 11 11 ASN A 256 LEU A 274 1 19 +HELIX 12 12 ARG A 299 ASN A 306 1 8 +HELIX 13 13 ASN A 306 GLY A 312 1 7 +HELIX 14 14 THR A 313 ALA A 324 1 12 +HELIX 15 15 ASP A 327 ILE A 331 5 5 +HELIX 16 16 GLY A 338 ARG A 342 5 5 +HELIX 17 17 ILE A 343 PHE A 354 1 12 +HELIX 18 18 GLU A 367 SER A 381 1 15 +HELIX 19 19 ASP B 813 GLU B 827 1 15 +HELIX 20 20 ASN B 829 MET B 837 1 9 +HELIX 21 21 HIS B 838 VAL B 840 5 3 +HELIX 22 22 GLY B 852 LEU B 856 5 5 +HELIX 23 23 THR B 858 VAL B 873 1 16 +HELIX 24 24 HIS B 874 THR B 879 1 6 +HELIX 25 25 TYR B 883 GLN B 904 1 22 +SHEET 1 A 3 LYS A 25 ILE A 28 0 +SHEET 2 A 3 TYR A 15 GLN A 22 -1 N VAL A 20 O GLU A 27 +SHEET 3 A 3 THR A 38 PRO A 39 -1 O THR A 38 N SER A 16 +SHEET 1 B 5 LYS A 25 ILE A 28 0 +SHEET 2 B 5 TYR A 15 GLN A 22 -1 N VAL A 20 O GLU A 27 +SHEET 3 B 5 VAL A 7 LEU A 11 -1 N ASP A 10 O CYS A 17 +SHEET 4 B 5 ASN A 141 VAL A 146 1 O VAL A 143 N ILE A 9 +SHEET 5 B 5 ASN A 168 ASN A 174 1 O LEU A 170 N ALA A 142 +SHEET 1 C 3 ARG A 49 ILE A 51 0 +SHEET 2 C 3 VAL A 42 PHE A 44 -1 N ALA A 43 O LEU A 50 +SHEET 3 C 3 THR A 66 VAL A 67 -1 O VAL A 67 N VAL A 42 +SHEET 1 D 3 MET A 93 ASP A 97 0 +SHEET 2 D 3 ARG A 100 TYR A 107 -1 O ARG A 100 N ASP A 97 +SHEET 3 D 3 GLU A 110 PHE A 114 -1 O LYS A 112 N VAL A 105 +SHEET 1 E 4 ILE A 216 ASP A 225 0 +SHEET 2 E 4 PHE A 205 GLU A 213 -1 N VAL A 207 O ALA A 223 +SHEET 3 E 4 ARG A 193 LEU A 200 -1 N VAL A 195 O LEU A 210 +SHEET 4 E 4 ASP A 333 VAL A 337 1 O VAL A 335 N LEU A 196 +SHEET 1 F 2 GLN A 279 TYR A 288 0 +SHEET 2 F 2 ILE A 291 THR A 298 -1 O THR A 295 N ILE A 282 +SSBOND 1 CYS A 171 CYS B 876 1555 1555 2.05 +LINK OD2 ASP A 10 NA NA A 489 1555 1555 2.69 +LINK O TYR A 15 NA NA A 489 1555 1555 2.78 +LINK OD1 ASP A 199 NA NA A 490 1555 1555 2.97 +LINK OG1 THR A 204 NA NA A 490 1555 1555 2.84 +LINK OD2 ASP A 206 NA NA A 490 1555 1555 2.98 +LINK O3B ADP A 487 NA NA A 489 1555 1555 2.70 +LINK O3B ADP A 487 MG MG A 491 1555 1555 2.09 +LINK O4 PO4 A 488 NA NA A 490 1555 1555 2.83 +LINK O4 PO4 A 488 MG MG A 491 1555 1555 2.09 +LINK NA NA A 489 O HOH A3182 1555 1555 2.82 +LINK MG MG A 491 O HOH A3167 1555 1555 2.12 +LINK MG MG A 491 O HOH A3193 1555 1555 2.18 +LINK MG MG A 491 O HOH A3433 1555 1555 2.03 +LINK MG MG A 491 O HOH A3435 1555 1555 2.11 +SITE 1 AC1 14 GLY A 12 THR A 13 LYS A 71 PRO A 147 +SITE 2 AC1 14 GLU A 175 THR A 204 ADP A 487 NA A 490 +SITE 3 AC1 14 MG A 491 HOH A3165 HOH A3167 HOH A3174 +SITE 4 AC1 14 HOH A3433 HOH A3435 +SITE 1 AC2 5 ASP A 10 TYR A 15 ADP A 487 HOH A3182 +SITE 2 AC2 5 HOH A3193 +SITE 1 AC3 4 ASP A 199 THR A 204 ASP A 206 PO4 A 488 +SITE 1 AC4 6 ADP A 487 PO4 A 488 HOH A3167 HOH A3193 +SITE 2 AC4 6 HOH A3433 HOH A3435 +SITE 1 AC5 28 THR A 13 THR A 14 TYR A 15 GLY A 201 +SITE 2 AC5 28 GLY A 202 GLY A 230 GLU A 268 LYS A 271 +SITE 3 AC5 28 ARG A 272 SER A 275 GLY A 338 GLY A 339 +SITE 4 AC5 28 SER A 340 ARG A 342 ASP A 366 PO4 A 488 +SITE 5 AC5 28 NA A 489 MG A 491 GOL A3147 HOH A3165 +SITE 6 AC5 28 HOH A3167 HOH A3175 HOH A3182 HOH A3193 +SITE 7 AC5 28 HOH A3194 HOH A3306 HOH A3333 HOH A3435 +SITE 1 AC6 6 ASN A 31 ASP A 32 LYS A 126 ILE A 130 +SITE 2 AC6 6 HOH A3195 HOH A3272 +SITE 1 AC7 10 TYR A 15 TYR A 41 LYS A 56 GLY A 230 +SITE 2 AC7 10 GLU A 231 ASP A 234 GLU A 268 LYS A 271 +SITE 3 AC7 10 ADP A 487 HOH A3228 +SITE 1 AC8 11 THR A 13 LYS A 71 ARG A 72 ARG A 76 +SITE 2 AC8 11 TYR A 149 PHE A 150 GLN A 154 THR A 204 +SITE 3 AC8 11 THR A 226 HOH A3215 HOH A3255 +CRYST1 38.698 58.543 226.236 90.00 90.00 90.00 P 21 21 21 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.025841 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.017081 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.004420 0.00000 +ATOM 1 N GLY A 4 7.291 3.975 -50.874 1.00 36.86 N +ATOM 2 CA GLY A 4 7.025 3.490 -49.481 1.00 35.72 C +ATOM 3 C GLY A 4 8.158 3.805 -48.514 1.00 35.39 C +ATOM 4 O GLY A 4 9.334 3.581 -48.839 1.00 36.00 O +ATOM 5 N PRO A 5 7.814 4.328 -47.316 1.00 34.47 N +ATOM 6 CA PRO A 5 8.804 4.818 -46.353 1.00 33.29 C +ATOM 7 C PRO A 5 9.719 3.784 -45.703 1.00 32.26 C +ATOM 8 O PRO A 5 9.395 2.592 -45.625 1.00 32.80 O +ATOM 9 CB PRO A 5 7.952 5.503 -45.274 1.00 33.40 C +ATOM 10 CG PRO A 5 6.603 4.888 -45.394 1.00 34.14 C +ATOM 11 CD PRO A 5 6.430 4.523 -46.836 1.00 34.25 C +ATOM 12 N ALA A 6 10.866 4.275 -45.253 1.00 30.36 N +ATOM 13 CA ALA A 6 11.761 3.554 -44.379 1.00 28.14 C +ATOM 14 C ALA A 6 11.277 3.734 -42.939 1.00 27.58 C +ATOM 15 O ALA A 6 10.627 4.746 -42.610 1.00 26.64 O +ATOM 16 CB ALA A 6 13.175 4.074 -44.528 1.00 28.28 C +ATOM 17 N VAL A 7 11.570 2.742 -42.108 1.00 26.12 N +ATOM 18 CA VAL A 7 11.115 2.735 -40.711 1.00 25.06 C +ATOM 19 C VAL A 7 12.309 2.792 -39.761 1.00 25.14 C +ATOM 20 O VAL A 7 13.448 2.483 -40.158 1.00 24.81 O +ATOM 21 CB VAL A 7 10.216 1.500 -40.408 1.00 25.40 C +ATOM 22 CG1 VAL A 7 8.984 1.491 -41.343 1.00 24.38 C +ATOM 23 CG2 VAL A 7 11.025 0.193 -40.521 1.00 26.33 C +ATOM 24 N GLY A 8 12.065 3.227 -38.526 1.00 23.94 N +ATOM 25 CA GLY A 8 13.077 3.158 -37.459 1.00 24.68 C +ATOM 26 C GLY A 8 12.687 2.061 -36.478 1.00 25.25 C +ATOM 27 O GLY A 8 11.544 2.026 -36.022 1.00 25.54 O +ATOM 28 N ILE A 9 13.628 1.158 -36.182 1.00 24.93 N +ATOM 29 CA ILE A 9 13.376 0.094 -35.212 1.00 25.18 C +ATOM 30 C ILE A 9 14.335 0.121 -34.027 1.00 24.62 C +ATOM 31 O ILE A 9 15.549 0.024 -34.187 1.00 25.84 O +ATOM 32 CB ILE A 9 13.422 -1.305 -35.874 1.00 24.74 C +ATOM 33 CG1 ILE A 9 12.455 -1.391 -37.077 1.00 25.92 C +ATOM 34 CG2 ILE A 9 13.073 -2.366 -34.811 1.00 26.56 C +ATOM 35 CD1 ILE A 9 12.590 -2.647 -37.928 1.00 25.49 C +ATOM 36 N ASP A 10 13.783 0.218 -32.830 1.00 25.32 N +ATOM 37 CA ASP A 10 14.513 0.056 -31.584 1.00 25.00 C +ATOM 38 C ASP A 10 14.421 -1.433 -31.253 1.00 25.36 C +ATOM 39 O ASP A 10 13.344 -1.900 -30.880 1.00 25.03 O +ATOM 40 CB ASP A 10 13.803 0.878 -30.509 1.00 26.34 C +ATOM 41 CG ASP A 10 14.309 0.610 -29.104 1.00 25.46 C +ATOM 42 OD1 ASP A 10 15.300 -0.131 -28.927 1.00 25.38 O +ATOM 43 OD2 ASP A 10 13.704 1.167 -28.173 1.00 27.76 O +ATOM 44 N LEU A 11 15.537 -2.139 -31.421 1.00 23.34 N +ATOM 45 CA LEU A 11 15.571 -3.604 -31.123 1.00 23.67 C +ATOM 46 C LEU A 11 16.088 -3.756 -29.688 1.00 23.06 C +ATOM 47 O LEU A 11 17.297 -3.849 -29.456 1.00 24.58 O +ATOM 48 CB LEU A 11 16.507 -4.292 -32.117 1.00 24.23 C +ATOM 49 CG LEU A 11 16.752 -5.804 -31.946 1.00 23.56 C +ATOM 50 CD1 LEU A 11 15.436 -6.606 -32.030 1.00 27.16 C +ATOM 51 CD2 LEU A 11 17.786 -6.251 -33.001 1.00 25.37 C +ATOM 52 N GLY A 12 15.186 -3.780 -28.721 1.00 23.60 N +ATOM 53 CA GLY A 12 15.585 -3.620 -27.327 1.00 23.94 C +ATOM 54 C GLY A 12 15.846 -4.916 -26.615 1.00 25.27 C +ATOM 55 O GLY A 12 15.391 -5.975 -27.078 1.00 25.10 O +ATOM 56 N THR A 13 16.559 -4.843 -25.493 1.00 25.21 N +ATOM 57 CA THR A 13 16.844 -6.054 -24.712 1.00 26.03 C +ATOM 58 C THR A 13 15.545 -6.767 -24.308 1.00 26.51 C +ATOM 59 O THR A 13 15.436 -7.997 -24.444 1.00 26.94 O +ATOM 60 CB THR A 13 17.691 -5.758 -23.472 1.00 26.87 C +ATOM 61 OG1 THR A 13 18.932 -5.194 -23.898 1.00 27.30 O +ATOM 62 CG2 THR A 13 17.988 -7.049 -22.681 1.00 27.68 C +ATOM 63 N THR A 14 14.569 -5.995 -23.842 1.00 25.47 N +ATOM 64 CA THR A 14 13.307 -6.561 -23.313 1.00 25.71 C +ATOM 65 C THR A 14 12.085 -6.260 -24.183 1.00 26.35 C +ATOM 66 O THR A 14 11.192 -7.098 -24.313 1.00 25.14 O +ATOM 67 CB THR A 14 13.073 -6.158 -21.826 1.00 25.94 C +ATOM 68 OG1 THR A 14 12.769 -4.750 -21.722 1.00 25.89 O +ATOM 69 CG2 THR A 14 14.330 -6.472 -20.989 1.00 26.81 C +ATOM 70 N TYR A 15 12.055 -5.059 -24.768 1.00 25.70 N +ATOM 71 CA TYR A 15 10.985 -4.638 -25.675 1.00 25.95 C +ATOM 72 C TYR A 15 11.528 -4.020 -26.950 1.00 26.05 C +ATOM 73 O TYR A 15 12.612 -3.402 -26.932 1.00 26.47 O +ATOM 74 CB TYR A 15 10.119 -3.580 -24.998 1.00 26.14 C +ATOM 75 CG TYR A 15 9.106 -4.138 -24.044 1.00 26.61 C +ATOM 76 CD1 TYR A 15 9.455 -4.450 -22.726 1.00 27.37 C +ATOM 77 CD2 TYR A 15 7.790 -4.351 -24.451 1.00 28.15 C +ATOM 78 CE1 TYR A 15 8.497 -4.950 -21.824 1.00 28.12 C +ATOM 79 CE2 TYR A 15 6.838 -4.852 -23.566 1.00 28.71 C +ATOM 80 CZ TYR A 15 7.201 -5.148 -22.263 1.00 29.60 C +ATOM 81 OH TYR A 15 6.260 -5.642 -21.398 1.00 29.91 O +ATOM 82 N SER A 16 10.761 -4.137 -28.040 1.00 25.23 N +ATOM 83 CA SER A 16 11.125 -3.464 -29.285 1.00 24.91 C +ATOM 84 C SER A 16 9.998 -2.512 -29.716 1.00 25.02 C +ATOM 85 O SER A 16 8.862 -2.624 -29.226 1.00 24.87 O +ATOM 86 CB SER A 16 11.454 -4.503 -30.350 1.00 26.37 C +ATOM 87 OG SER A 16 12.635 -5.212 -29.929 1.00 24.80 O +ATOM 88 N CYS A 17 10.312 -1.566 -30.604 1.00 25.24 N +ATOM 89 CA CYS A 17 9.383 -0.483 -30.919 1.00 25.54 C +ATOM 90 C CYS A 17 9.709 -0.022 -32.339 1.00 25.22 C +ATOM 91 O CYS A 17 10.896 0.022 -32.700 1.00 25.51 O +ATOM 92 CB CYS A 17 9.612 0.649 -29.928 1.00 26.11 C +ATOM 93 SG CYS A 17 8.490 2.075 -30.072 1.00 26.82 S +ATOM 94 N VAL A 18 8.680 0.283 -33.138 1.00 25.09 N +ATOM 95 CA VAL A 18 8.887 0.682 -34.529 1.00 24.99 C +ATOM 96 C VAL A 18 8.127 1.978 -34.780 1.00 25.15 C +ATOM 97 O VAL A 18 6.959 2.113 -34.391 1.00 24.59 O +ATOM 98 CB VAL A 18 8.496 -0.456 -35.548 1.00 25.32 C +ATOM 99 CG1 VAL A 18 7.014 -0.833 -35.407 1.00 26.82 C +ATOM 100 CG2 VAL A 18 8.851 -0.078 -37.008 1.00 25.54 C +ATOM 101 N GLY A 19 8.814 2.937 -35.395 1.00 24.97 N +ATOM 102 CA GLY A 19 8.176 4.182 -35.848 1.00 24.53 C +ATOM 103 C GLY A 19 8.404 4.446 -37.330 1.00 24.40 C +ATOM 104 O GLY A 19 9.296 3.852 -37.962 1.00 24.92 O +ATOM 105 N VAL A 20 7.583 5.336 -37.878 1.00 24.61 N +ATOM 106 CA VAL A 20 7.713 5.785 -39.257 1.00 24.36 C +ATOM 107 C VAL A 20 7.421 7.276 -39.309 1.00 24.35 C +ATOM 108 O VAL A 20 6.461 7.743 -38.695 1.00 24.21 O +ATOM 109 CB VAL A 20 6.761 5.015 -40.205 1.00 24.65 C +ATOM 110 CG1 VAL A 20 5.265 5.247 -39.858 1.00 25.74 C +ATOM 111 CG2 VAL A 20 7.027 5.364 -41.671 1.00 24.62 C +ATOM 112 N PHE A 21 8.264 7.999 -40.044 1.00 23.93 N +ATOM 113 CA PHE A 21 8.032 9.401 -40.349 1.00 23.85 C +ATOM 114 C PHE A 21 7.262 9.463 -41.669 1.00 24.33 C +ATOM 115 O PHE A 21 7.752 9.013 -42.718 1.00 26.17 O +ATOM 116 CB PHE A 21 9.372 10.131 -40.455 1.00 23.48 C +ATOM 117 CG PHE A 21 9.228 11.577 -40.774 1.00 24.39 C +ATOM 118 CD1 PHE A 21 8.927 12.490 -39.767 1.00 24.53 C +ATOM 119 CD2 PHE A 21 9.363 12.013 -42.075 1.00 23.92 C +ATOM 120 CE1 PHE A 21 8.781 13.851 -40.073 1.00 25.15 C +ATOM 121 CE2 PHE A 21 9.230 13.356 -42.385 1.00 25.66 C +ATOM 122 CZ PHE A 21 8.929 14.267 -41.382 1.00 27.83 C +ATOM 123 N GLN A 22 6.043 9.986 -41.612 1.00 24.43 N +ATOM 124 CA GLN A 22 5.154 10.046 -42.770 1.00 25.17 C +ATOM 125 C GLN A 22 4.278 11.282 -42.597 1.00 24.85 C +ATOM 126 O GLN A 22 3.860 11.584 -41.477 1.00 24.83 O +ATOM 127 CB GLN A 22 4.272 8.794 -42.792 1.00 25.23 C +ATOM 128 CG GLN A 22 3.726 8.422 -44.154 1.00 30.02 C +ATOM 129 CD GLN A 22 2.924 7.128 -44.153 1.00 32.77 C +ATOM 130 OE1 GLN A 22 2.904 6.416 -45.160 1.00 37.19 O +ATOM 131 NE2 GLN A 22 2.226 6.837 -43.048 1.00 31.00 N +ATOM 132 N HIS A 23 4.005 12.003 -43.685 1.00 24.63 N +ATOM 133 CA HIS A 23 3.107 13.162 -43.626 1.00 25.35 C +ATOM 134 C HIS A 23 3.531 14.173 -42.558 1.00 25.43 C +ATOM 135 O HIS A 23 2.693 14.780 -41.886 1.00 25.20 O +ATOM 136 CB HIS A 23 1.664 12.698 -43.403 1.00 25.15 C +ATOM 137 CG HIS A 23 1.227 11.636 -44.363 1.00 26.23 C +ATOM 138 ND1 HIS A 23 0.799 10.389 -43.954 1.00 27.58 N +ATOM 139 CD2 HIS A 23 1.203 11.619 -45.715 1.00 26.59 C +ATOM 140 CE1 HIS A 23 0.499 9.664 -45.017 1.00 26.07 C +ATOM 141 NE2 HIS A 23 0.745 10.382 -46.096 1.00 29.54 N +ATOM 142 N GLY A 24 4.845 14.317 -42.396 1.00 25.87 N +ATOM 143 CA GLY A 24 5.421 15.351 -41.549 1.00 26.61 C +ATOM 144 C GLY A 24 5.449 15.053 -40.061 1.00 27.15 C +ATOM 145 O GLY A 24 5.802 15.925 -39.265 1.00 27.44 O +ATOM 146 N LYS A 25 5.084 13.829 -39.664 1.00 26.60 N +ATOM 147 CA LYS A 25 5.025 13.485 -38.243 1.00 26.18 C +ATOM 148 C LYS A 25 5.539 12.060 -38.057 1.00 25.91 C +ATOM 149 O LYS A 25 5.417 11.238 -38.958 1.00 25.17 O +ATOM 150 CB LYS A 25 3.580 13.577 -37.703 1.00 26.47 C +ATOM 151 CG LYS A 25 2.988 14.986 -37.643 1.00 30.94 C +ATOM 152 CD LYS A 25 1.546 14.971 -37.152 1.00 33.56 C +ATOM 153 CE LYS A 25 0.883 16.339 -37.301 1.00 35.32 C +ATOM 154 NZ LYS A 25 -0.556 16.307 -36.883 1.00 36.68 N +ATOM 155 N VAL A 26 6.126 11.792 -36.901 1.00 25.45 N +ATOM 156 CA VAL A 26 6.505 10.414 -36.563 1.00 25.18 C +ATOM 157 C VAL A 26 5.314 9.702 -35.940 1.00 25.66 C +ATOM 158 O VAL A 26 4.713 10.207 -34.997 1.00 26.98 O +ATOM 159 CB VAL A 26 7.721 10.343 -35.593 1.00 25.84 C +ATOM 160 CG1 VAL A 26 7.899 8.913 -35.101 1.00 26.88 C +ATOM 161 CG2 VAL A 26 9.004 10.840 -36.268 1.00 26.89 C +ATOM 162 N GLU A 27 4.949 8.534 -36.472 1.00 26.37 N +ATOM 163 CA GLU A 27 3.968 7.688 -35.812 1.00 26.91 C +ATOM 164 C GLU A 27 4.718 6.538 -35.173 1.00 26.70 C +ATOM 165 O GLU A 27 5.479 5.854 -35.864 1.00 25.44 O +ATOM 166 CB GLU A 27 2.957 7.128 -36.817 1.00 27.67 C +ATOM 167 CG GLU A 27 1.995 6.053 -36.247 1.00 29.06 C +ATOM 168 CD GLU A 27 0.822 6.612 -35.442 1.00 33.52 C +ATOM 169 OE1 GLU A 27 0.602 7.849 -35.449 1.00 33.71 O +ATOM 170 OE2 GLU A 27 0.085 5.792 -34.829 1.00 33.08 O +ATOM 171 N ILE A 28 4.527 6.350 -33.862 1.00 26.26 N +ATOM 172 CA ILE A 28 4.990 5.126 -33.200 1.00 25.78 C +ATOM 173 C ILE A 28 3.869 4.112 -33.377 1.00 25.88 C +ATOM 174 O ILE A 28 2.716 4.366 -32.999 1.00 27.03 O +ATOM 175 CB ILE A 28 5.342 5.334 -31.703 1.00 25.26 C +ATOM 176 CG1 ILE A 28 6.467 6.357 -31.524 1.00 27.00 C +ATOM 177 CG2 ILE A 28 5.724 3.977 -31.044 1.00 25.06 C +ATOM 178 CD1 ILE A 28 7.779 6.012 -32.218 1.00 26.47 C +ATOM 179 N ILE A 29 4.199 2.955 -33.945 1.00 25.17 N +ATOM 180 CA ILE A 29 3.157 2.105 -34.522 1.00 25.27 C +ATOM 181 C ILE A 29 2.694 1.058 -33.520 1.00 24.48 C +ATOM 182 O ILE A 29 3.520 0.302 -32.983 1.00 25.11 O +ATOM 183 CB ILE A 29 3.612 1.445 -35.858 1.00 24.99 C +ATOM 184 CG1 ILE A 29 3.955 2.515 -36.915 1.00 25.49 C +ATOM 185 CG2 ILE A 29 2.507 0.557 -36.427 1.00 25.57 C +ATOM 186 CD1 ILE A 29 4.704 1.945 -38.147 1.00 26.81 C +ATOM 187 N ALA A 30 1.379 1.017 -33.288 1.00 24.57 N +ATOM 188 CA ALA A 30 0.804 0.024 -32.375 1.00 23.77 C +ATOM 189 C ALA A 30 0.714 -1.337 -33.079 1.00 24.24 C +ATOM 190 O ALA A 30 0.351 -1.406 -34.272 1.00 24.04 O +ATOM 191 CB ALA A 30 -0.594 0.476 -31.910 1.00 23.56 C +ATOM 192 N ASN A 31 1.046 -2.407 -32.354 1.00 24.32 N +ATOM 193 CA ASN A 31 0.834 -3.764 -32.891 1.00 24.71 C +ATOM 194 C ASN A 31 -0.652 -4.171 -32.880 1.00 24.34 C +ATOM 195 O ASN A 31 -1.514 -3.378 -32.481 1.00 25.03 O +ATOM 196 CB ASN A 31 1.727 -4.800 -32.185 1.00 24.42 C +ATOM 197 CG ASN A 31 1.378 -5.001 -30.696 1.00 24.31 C +ATOM 198 OD1 ASN A 31 0.238 -4.826 -30.278 1.00 23.06 O +ATOM 199 ND2 ASN A 31 2.371 -5.419 -29.909 1.00 24.72 N +ATOM 200 N ASP A 32 -0.975 -5.395 -33.317 1.00 23.67 N +ATOM 201 CA ASP A 32 -2.390 -5.757 -33.455 1.00 23.92 C +ATOM 202 C ASP A 32 -3.092 -6.060 -32.123 1.00 23.02 C +ATOM 203 O ASP A 32 -4.324 -6.284 -32.078 1.00 22.02 O +ATOM 204 CB ASP A 32 -2.616 -6.831 -34.516 1.00 24.30 C +ATOM 205 CG ASP A 32 -2.025 -8.184 -34.130 1.00 28.55 C +ATOM 206 OD1 ASP A 32 -1.730 -8.406 -32.932 1.00 27.15 O +ATOM 207 OD2 ASP A 32 -1.846 -9.011 -35.048 1.00 31.20 O +ATOM 208 N GLN A 33 -2.319 -5.998 -31.039 1.00 22.99 N +ATOM 209 CA GLN A 33 -2.872 -6.094 -29.683 1.00 23.76 C +ATOM 210 C GLN A 33 -3.038 -4.713 -29.033 1.00 23.35 C +ATOM 211 O GLN A 33 -3.510 -4.609 -27.896 1.00 24.07 O +ATOM 212 CB GLN A 33 -2.019 -7.022 -28.805 1.00 24.53 C +ATOM 213 CG GLN A 33 -1.868 -8.441 -29.378 1.00 26.11 C +ATOM 214 CD GLN A 33 -3.201 -9.153 -29.571 1.00 28.37 C +ATOM 215 OE1 GLN A 33 -3.565 -9.545 -30.691 1.00 30.39 O +ATOM 216 NE2 GLN A 33 -3.950 -9.311 -28.484 1.00 24.58 N +ATOM 217 N GLY A 34 -2.672 -3.663 -29.773 1.00 23.01 N +ATOM 218 CA GLY A 34 -2.836 -2.292 -29.304 1.00 23.21 C +ATOM 219 C GLY A 34 -1.643 -1.699 -28.574 1.00 24.14 C +ATOM 220 O GLY A 34 -1.715 -0.573 -28.075 1.00 24.15 O +ATOM 221 N ASN A 35 -0.535 -2.435 -28.544 1.00 24.43 N +ATOM 222 CA ASN A 35 0.675 -2.023 -27.814 1.00 25.26 C +ATOM 223 C ASN A 35 1.698 -1.341 -28.699 1.00 25.34 C +ATOM 224 O ASN A 35 2.094 -1.874 -29.740 1.00 25.73 O +ATOM 225 CB ASN A 35 1.291 -3.238 -27.078 1.00 25.08 C +ATOM 226 CG ASN A 35 0.266 -3.941 -26.166 1.00 25.84 C +ATOM 227 OD1 ASN A 35 -0.493 -3.290 -25.437 1.00 26.21 O +ATOM 228 ND2 ASN A 35 0.211 -5.270 -26.248 1.00 28.50 N +ATOM 229 N ARG A 36 2.155 -0.165 -28.256 1.00 25.16 N +ATOM 230 CA ARG A 36 3.166 0.596 -28.977 1.00 26.16 C +ATOM 231 C ARG A 36 4.597 0.072 -28.750 1.00 25.92 C +ATOM 232 O ARG A 36 5.538 0.531 -29.402 1.00 25.94 O +ATOM 233 CB ARG A 36 3.072 2.067 -28.621 1.00 26.43 C +ATOM 234 CG ARG A 36 1.948 2.785 -29.383 1.00 30.73 C +ATOM 235 CD ARG A 36 1.753 4.200 -28.884 1.00 36.91 C +ATOM 236 NE ARG A 36 1.585 5.107 -30.019 1.00 43.94 N +ATOM 237 CZ ARG A 36 0.448 5.291 -30.691 1.00 46.03 C +ATOM 238 NH1 ARG A 36 -0.664 4.639 -30.353 1.00 47.42 N +ATOM 239 NH2 ARG A 36 0.424 6.141 -31.712 1.00 48.85 N +ATOM 240 N THR A 37 4.745 -0.887 -27.837 1.00 26.02 N +ATOM 241 CA THR A 37 6.001 -1.626 -27.701 1.00 25.92 C +ATOM 242 C THR A 37 5.650 -3.102 -27.687 1.00 25.13 C +ATOM 243 O THR A 37 4.533 -3.480 -27.290 1.00 25.21 O +ATOM 244 CB THR A 37 6.747 -1.287 -26.398 1.00 25.82 C +ATOM 245 OG1 THR A 37 5.936 -1.682 -25.288 1.00 28.35 O +ATOM 246 CG2 THR A 37 7.059 0.237 -26.318 1.00 28.33 C +ATOM 247 N THR A 38 6.602 -3.912 -28.133 1.00 25.52 N +ATOM 248 CA THR A 38 6.395 -5.360 -28.314 1.00 25.13 C +ATOM 249 C THR A 38 7.520 -6.144 -27.602 1.00 25.67 C +ATOM 250 O THR A 38 8.697 -5.862 -27.842 1.00 26.36 O +ATOM 251 CB THR A 38 6.379 -5.675 -29.823 1.00 25.07 C +ATOM 252 OG1 THR A 38 5.262 -5.032 -30.453 1.00 25.09 O +ATOM 253 CG2 THR A 38 6.304 -7.178 -30.068 1.00 26.05 C +ATOM 254 N PRO A 39 7.184 -7.110 -26.709 1.00 25.96 N +ATOM 255 CA PRO A 39 8.273 -7.906 -26.057 1.00 25.67 C +ATOM 256 C PRO A 39 9.254 -8.569 -27.047 1.00 25.69 C +ATOM 257 O PRO A 39 8.824 -9.126 -28.072 1.00 26.67 O +ATOM 258 CB PRO A 39 7.514 -8.964 -25.234 1.00 25.63 C +ATOM 259 CG PRO A 39 6.126 -8.366 -25.023 1.00 26.83 C +ATOM 260 CD PRO A 39 5.842 -7.495 -26.230 1.00 26.21 C +ATOM 261 N SER A 40 10.554 -8.488 -26.744 1.00 23.88 N +ATOM 262 CA SER A 40 11.589 -9.109 -27.565 1.00 23.89 C +ATOM 263 C SER A 40 11.711 -10.606 -27.215 1.00 24.09 C +ATOM 264 O SER A 40 12.789 -11.096 -26.831 1.00 24.34 O +ATOM 265 CB SER A 40 12.928 -8.387 -27.402 1.00 24.44 C +ATOM 266 OG SER A 40 12.804 -6.985 -27.646 1.00 22.92 O +ATOM 267 N TYR A 41 10.585 -11.305 -27.378 1.00 22.90 N +ATOM 268 CA TYR A 41 10.387 -12.693 -26.941 1.00 23.49 C +ATOM 269 C TYR A 41 10.014 -13.565 -28.119 1.00 22.86 C +ATOM 270 O TYR A 41 9.214 -13.166 -28.965 1.00 22.57 O +ATOM 271 CB TYR A 41 9.255 -12.755 -25.905 1.00 23.06 C +ATOM 272 CG TYR A 41 9.699 -12.498 -24.486 1.00 24.14 C +ATOM 273 CD1 TYR A 41 10.225 -11.259 -24.106 1.00 25.86 C +ATOM 274 CD2 TYR A 41 9.611 -13.508 -23.515 1.00 26.07 C +ATOM 275 CE1 TYR A 41 10.646 -11.026 -22.800 1.00 25.58 C +ATOM 276 CE2 TYR A 41 10.024 -13.285 -22.212 1.00 27.32 C +ATOM 277 CZ TYR A 41 10.546 -12.042 -21.864 1.00 28.55 C +ATOM 278 OH TYR A 41 10.970 -11.821 -20.575 1.00 28.72 O +ATOM 279 N VAL A 42 10.573 -14.770 -28.175 1.00 23.59 N +ATOM 280 CA VAL A 42 10.212 -15.707 -29.223 1.00 22.83 C +ATOM 281 C VAL A 42 9.948 -17.059 -28.546 1.00 23.11 C +ATOM 282 O VAL A 42 10.815 -17.559 -27.832 1.00 23.20 O +ATOM 283 CB VAL A 42 11.333 -15.859 -30.285 1.00 23.66 C +ATOM 284 CG1 VAL A 42 10.882 -16.828 -31.388 1.00 24.03 C +ATOM 285 CG2 VAL A 42 11.743 -14.465 -30.887 1.00 24.01 C +ATOM 286 N ALA A 43 8.749 -17.597 -28.753 1.00 22.58 N +ATOM 287 CA ALA A 43 8.372 -18.906 -28.191 1.00 23.26 C +ATOM 288 C ALA A 43 8.190 -19.953 -29.259 1.00 23.57 C +ATOM 289 O ALA A 43 7.584 -19.708 -30.306 1.00 23.12 O +ATOM 290 CB ALA A 43 7.112 -18.802 -27.352 1.00 23.03 C +ATOM 291 N PHE A 44 8.676 -21.155 -28.956 1.00 24.47 N +ATOM 292 CA PHE A 44 8.526 -22.292 -29.849 1.00 25.36 C +ATOM 293 C PHE A 44 7.662 -23.340 -29.159 1.00 25.80 C +ATOM 294 O PHE A 44 7.881 -23.649 -27.990 1.00 25.91 O +ATOM 295 CB PHE A 44 9.904 -22.855 -30.201 1.00 25.32 C +ATOM 296 CG PHE A 44 10.822 -21.854 -30.847 1.00 25.92 C +ATOM 297 CD1 PHE A 44 10.869 -21.731 -32.237 1.00 26.62 C +ATOM 298 CD2 PHE A 44 11.640 -21.029 -30.066 1.00 24.28 C +ATOM 299 CE1 PHE A 44 11.729 -20.816 -32.837 1.00 25.80 C +ATOM 300 CE2 PHE A 44 12.512 -20.099 -30.664 1.00 26.83 C +ATOM 301 CZ PHE A 44 12.545 -19.995 -32.046 1.00 26.31 C +ATOM 302 N THR A 45 6.666 -23.847 -29.882 1.00 26.12 N +ATOM 303 CA THR A 45 5.656 -24.742 -29.321 1.00 26.74 C +ATOM 304 C THR A 45 5.474 -25.988 -30.211 1.00 27.16 C +ATOM 305 O THR A 45 6.163 -26.146 -31.229 1.00 27.00 O +ATOM 306 CB THR A 45 4.284 -24.019 -29.126 1.00 26.40 C +ATOM 307 OG1 THR A 45 3.532 -24.074 -30.343 1.00 27.55 O +ATOM 308 CG2 THR A 45 4.449 -22.543 -28.688 1.00 27.58 C +ATOM 309 N ASP A 46 4.543 -26.862 -29.827 1.00 28.03 N +ATOM 310 CA ASP A 46 4.216 -28.061 -30.618 1.00 28.44 C +ATOM 311 C ASP A 46 3.782 -27.721 -32.056 1.00 28.74 C +ATOM 312 O ASP A 46 4.008 -28.507 -32.983 1.00 28.88 O +ATOM 313 CB ASP A 46 3.096 -28.882 -29.949 1.00 29.01 C +ATOM 314 CG ASP A 46 3.569 -29.674 -28.717 1.00 28.91 C +ATOM 315 OD1 ASP A 46 4.769 -30.128 -28.735 1.00 30.62 O +ATOM 316 OD2 ASP A 46 2.578 -29.648 -27.641 1.00 31.73 O +ATOM 317 N THR A 47 3.159 -26.553 -32.234 1.00 28.89 N +ATOM 318 CA THR A 47 2.482 -26.215 -33.494 1.00 29.11 C +ATOM 319 C THR A 47 2.923 -24.911 -34.160 1.00 29.36 C +ATOM 320 O THR A 47 2.753 -24.746 -35.374 1.00 29.53 O +ATOM 321 CB THR A 47 0.947 -26.165 -33.312 1.00 29.20 C +ATOM 322 OG1 THR A 47 0.628 -25.494 -32.085 1.00 29.39 O +ATOM 323 CG2 THR A 47 0.364 -27.569 -33.283 1.00 28.58 C +ATOM 324 N GLU A 48 3.476 -23.991 -33.375 1.00 29.47 N +ATOM 325 CA GLU A 48 3.769 -22.642 -33.879 1.00 29.28 C +ATOM 326 C GLU A 48 5.009 -21.977 -33.286 1.00 29.16 C +ATOM 327 O GLU A 48 5.566 -22.425 -32.276 1.00 29.16 O +ATOM 328 CB GLU A 48 2.541 -21.730 -33.716 1.00 29.46 C +ATOM 329 CG GLU A 48 1.850 -21.834 -32.363 1.00 30.81 C +ATOM 330 CD GLU A 48 0.478 -21.162 -32.315 1.00 32.24 C +ATOM 331 OE1 GLU A 48 0.098 -20.470 -33.286 1.00 33.74 O +ATOM 332 OE2 GLU A 48 -0.222 -21.314 -31.289 1.00 31.86 O +ATOM 333 N ARG A 49 5.441 -20.916 -33.966 1.00 28.65 N +ATOM 334 CA ARG A 49 6.422 -19.973 -33.469 1.00 28.30 C +ATOM 335 C ARG A 49 5.635 -18.707 -33.110 1.00 27.47 C +ATOM 336 O ARG A 49 4.907 -18.178 -33.958 1.00 27.69 O +ATOM 337 CB ARG A 49 7.433 -19.670 -34.585 1.00 28.96 C +ATOM 338 CG ARG A 49 8.744 -19.072 -34.142 1.00 30.98 C +ATOM 339 CD ARG A 49 9.633 -18.697 -35.360 1.00 34.93 C +ATOM 340 NE ARG A 49 9.073 -17.585 -36.140 1.00 37.44 N +ATOM 341 CZ ARG A 49 9.619 -17.065 -37.241 1.00 38.49 C +ATOM 342 NH1 ARG A 49 10.755 -17.552 -37.741 1.00 36.97 N +ATOM 343 NH2 ARG A 49 9.016 -16.051 -37.854 1.00 39.51 N +ATOM 344 N LEU A 50 5.745 -18.245 -31.863 1.00 25.63 N +ATOM 345 CA LEU A 50 5.035 -17.051 -31.413 1.00 24.79 C +ATOM 346 C LEU A 50 6.044 -15.947 -31.160 1.00 24.04 C +ATOM 347 O LEU A 50 7.134 -16.224 -30.688 1.00 23.61 O +ATOM 348 CB LEU A 50 4.265 -17.315 -30.118 1.00 24.73 C +ATOM 349 CG LEU A 50 3.166 -18.391 -30.099 1.00 24.42 C +ATOM 350 CD1 LEU A 50 2.662 -18.567 -28.671 1.00 25.91 C +ATOM 351 CD2 LEU A 50 2.010 -18.065 -31.042 1.00 25.47 C +ATOM 352 N ILE A 51 5.682 -14.703 -31.468 1.00 24.58 N +ATOM 353 CA ILE A 51 6.601 -13.575 -31.288 1.00 24.70 C +ATOM 354 C ILE A 51 5.886 -12.374 -30.625 1.00 24.87 C +ATOM 355 O ILE A 51 4.755 -12.026 -30.991 1.00 24.56 O +ATOM 356 CB ILE A 51 7.238 -13.118 -32.631 1.00 25.36 C +ATOM 357 CG1 ILE A 51 7.929 -14.290 -33.325 1.00 25.61 C +ATOM 358 CG2 ILE A 51 8.261 -12.011 -32.399 1.00 24.18 C +ATOM 359 CD1 ILE A 51 8.202 -14.042 -34.766 1.00 27.71 C +ATOM 360 N GLY A 52 6.564 -11.749 -29.660 1.00 24.28 N +ATOM 361 CA GLY A 52 6.028 -10.579 -28.988 1.00 23.93 C +ATOM 362 C GLY A 52 5.057 -10.893 -27.876 1.00 23.68 C +ATOM 363 O GLY A 52 5.354 -11.692 -26.995 1.00 23.57 O +ATOM 364 N ASP A 53 3.884 -10.262 -27.912 1.00 23.76 N +ATOM 365 CA ASP A 53 2.958 -10.351 -26.787 1.00 23.78 C +ATOM 366 C ASP A 53 2.525 -11.783 -26.525 1.00 23.56 C +ATOM 367 O ASP A 53 2.591 -12.242 -25.389 1.00 24.37 O +ATOM 368 CB ASP A 53 1.743 -9.442 -26.972 1.00 24.03 C +ATOM 369 CG ASP A 53 2.084 -7.967 -26.801 1.00 25.02 C +ATOM 370 OD1 ASP A 53 2.602 -7.572 -25.716 1.00 24.24 O +ATOM 371 OD2 ASP A 53 1.817 -7.217 -27.770 1.00 24.41 O +ATOM 372 N ALA A 54 2.117 -12.486 -27.583 1.00 23.34 N +ATOM 373 CA ALA A 54 1.727 -13.896 -27.474 1.00 23.42 C +ATOM 374 C ALA A 54 2.837 -14.786 -26.915 1.00 23.42 C +ATOM 375 O ALA A 54 2.535 -15.753 -26.197 1.00 23.53 O +ATOM 376 CB ALA A 54 1.254 -14.434 -28.816 1.00 23.17 C +ATOM 377 N ALA A 55 4.097 -14.488 -27.250 1.00 24.22 N +ATOM 378 CA ALA A 55 5.236 -15.254 -26.717 1.00 24.46 C +ATOM 379 C ALA A 55 5.412 -15.000 -25.220 1.00 24.95 C +ATOM 380 O ALA A 55 5.488 -15.930 -24.421 1.00 25.01 O +ATOM 381 CB ALA A 55 6.531 -14.925 -27.474 1.00 24.65 C +ATOM 382 N LYS A 56 5.459 -13.731 -24.833 1.00 25.22 N +ATOM 383 CA LYS A 56 5.654 -13.391 -23.430 1.00 25.47 C +ATOM 384 C LYS A 56 4.483 -13.898 -22.604 1.00 25.34 C +ATOM 385 O LYS A 56 4.665 -14.356 -21.468 1.00 24.74 O +ATOM 386 CB LYS A 56 5.838 -11.876 -23.253 1.00 25.71 C +ATOM 387 CG LYS A 56 6.201 -11.438 -21.822 1.00 27.05 C +ATOM 388 CD LYS A 56 6.402 -9.923 -21.709 1.00 28.66 C +ATOM 389 CE LYS A 56 6.486 -9.487 -20.242 1.00 29.91 C +ATOM 390 NZ LYS A 56 6.872 -8.036 -20.099 1.00 31.14 N +ATOM 391 N ASN A 57 3.281 -13.853 -23.186 1.00 24.87 N +ATOM 392 CA ASN A 57 2.077 -14.191 -22.435 1.00 25.38 C +ATOM 393 C ASN A 57 2.001 -15.661 -21.993 1.00 25.28 C +ATOM 394 O ASN A 57 1.362 -15.950 -20.991 1.00 25.39 O +ATOM 395 CB ASN A 57 0.806 -13.762 -23.189 1.00 25.38 C +ATOM 396 CG ASN A 57 0.618 -12.239 -23.224 1.00 27.61 C +ATOM 397 OD1 ASN A 57 1.393 -11.474 -22.634 1.00 30.31 O +ATOM 398 ND2 ASN A 57 -0.404 -11.792 -23.952 1.00 28.84 N +ATOM 399 N GLN A 58 2.661 -16.565 -22.729 1.00 25.56 N +ATOM 400 CA GLN A 58 2.672 -18.006 -22.392 1.00 26.53 C +ATOM 401 C GLN A 58 3.973 -18.513 -21.744 1.00 26.81 C +ATOM 402 O GLN A 58 4.183 -19.723 -21.662 1.00 26.85 O +ATOM 403 CB GLN A 58 2.305 -18.889 -23.609 1.00 26.22 C +ATOM 404 CG GLN A 58 3.176 -18.706 -24.875 1.00 26.94 C +ATOM 405 CD GLN A 58 4.552 -19.385 -24.811 1.00 25.60 C +ATOM 406 OE1 GLN A 58 5.581 -18.727 -24.566 1.00 27.85 O +ATOM 407 NE2 GLN A 58 4.583 -20.685 -25.070 1.00 23.68 N +ATOM 408 N VAL A 59 4.835 -17.593 -21.301 1.00 27.71 N +ATOM 409 CA VAL A 59 6.125 -17.951 -20.680 1.00 28.23 C +ATOM 410 C VAL A 59 5.998 -18.947 -19.504 1.00 28.38 C +ATOM 411 O VAL A 59 6.789 -19.894 -19.388 1.00 28.19 O +ATOM 412 CB VAL A 59 6.962 -16.670 -20.307 1.00 29.07 C +ATOM 413 CG1 VAL A 59 6.279 -15.840 -19.219 1.00 30.05 C +ATOM 414 CG2 VAL A 59 8.393 -17.034 -19.907 1.00 30.30 C +ATOM 415 N ALA A 60 4.978 -18.752 -18.666 1.00 27.59 N +ATOM 416 CA ALA A 60 4.763 -19.591 -17.487 1.00 27.48 C +ATOM 417 C ALA A 60 4.494 -21.055 -17.852 1.00 27.29 C +ATOM 418 O ALA A 60 4.928 -21.966 -17.134 1.00 27.60 O +ATOM 419 CB ALA A 60 3.641 -19.029 -16.633 1.00 27.32 C +ATOM 420 N MET A 61 3.799 -21.276 -18.970 1.00 27.14 N +ATOM 421 CA MET A 61 3.457 -22.631 -19.440 1.00 27.47 C +ATOM 422 C MET A 61 4.581 -23.335 -20.214 1.00 26.69 C +ATOM 423 O MET A 61 4.617 -24.566 -20.278 1.00 26.80 O +ATOM 424 CB MET A 61 2.187 -22.615 -20.310 1.00 27.83 C +ATOM 425 CG MET A 61 0.871 -22.450 -19.561 1.00 30.33 C +ATOM 426 SD MET A 61 0.588 -23.687 -18.277 1.00 36.52 S +ATOM 427 CE MET A 61 0.183 -25.165 -19.222 1.00 35.91 C +ATOM 428 N ASN A 62 5.486 -22.557 -20.797 1.00 26.06 N +ATOM 429 CA ASN A 62 6.494 -23.064 -21.725 1.00 25.19 C +ATOM 430 C ASN A 62 7.849 -22.352 -21.518 1.00 24.71 C +ATOM 431 O ASN A 62 8.397 -21.777 -22.464 1.00 24.43 O +ATOM 432 CB ASN A 62 5.973 -22.869 -23.164 1.00 24.82 C +ATOM 433 CG ASN A 62 6.866 -23.492 -24.225 1.00 24.62 C +ATOM 434 OD1 ASN A 62 7.413 -24.587 -24.045 1.00 22.17 O +ATOM 435 ND2 ASN A 62 7.003 -22.798 -25.353 1.00 23.84 N +ATOM 436 N PRO A 63 8.408 -22.422 -20.285 1.00 24.03 N +ATOM 437 CA PRO A 63 9.585 -21.593 -19.993 1.00 23.61 C +ATOM 438 C PRO A 63 10.872 -21.991 -20.719 1.00 23.17 C +ATOM 439 O PRO A 63 11.687 -21.138 -21.007 1.00 22.53 O +ATOM 440 CB PRO A 63 9.764 -21.752 -18.482 1.00 23.53 C +ATOM 441 CG PRO A 63 9.192 -23.113 -18.174 1.00 23.60 C +ATOM 442 CD PRO A 63 8.012 -23.246 -19.121 1.00 24.30 C +ATOM 443 N THR A 64 11.076 -23.279 -20.986 1.00 22.19 N +ATOM 444 CA THR A 64 12.357 -23.700 -21.556 1.00 21.62 C +ATOM 445 C THR A 64 12.463 -23.483 -23.070 1.00 21.60 C +ATOM 446 O THR A 64 13.554 -23.547 -23.638 1.00 21.40 O +ATOM 447 CB THR A 64 12.673 -25.155 -21.185 1.00 21.50 C +ATOM 448 OG1 THR A 64 11.683 -26.012 -21.768 1.00 23.31 O +ATOM 449 CG2 THR A 64 12.652 -25.285 -19.675 1.00 20.25 C +ATOM 450 N ASN A 65 11.332 -23.222 -23.715 1.00 22.05 N +ATOM 451 CA ASN A 65 11.304 -22.996 -25.154 1.00 22.84 C +ATOM 452 C ASN A 65 10.884 -21.576 -25.509 1.00 23.39 C +ATOM 453 O ASN A 65 10.520 -21.293 -26.662 1.00 23.13 O +ATOM 454 CB ASN A 65 10.380 -23.999 -25.825 1.00 22.65 C +ATOM 455 CG ASN A 65 10.799 -25.430 -25.556 1.00 23.05 C +ATOM 456 OD1 ASN A 65 11.987 -25.752 -25.608 1.00 24.85 O +ATOM 457 ND2 ASN A 65 9.838 -26.284 -25.254 1.00 22.41 N +ATOM 458 N THR A 66 10.922 -20.697 -24.507 1.00 24.07 N +ATOM 459 CA THR A 66 10.660 -19.270 -24.712 1.00 24.66 C +ATOM 460 C THR A 66 11.953 -18.495 -24.486 1.00 24.93 C +ATOM 461 O THR A 66 12.478 -18.438 -23.356 1.00 24.92 O +ATOM 462 CB THR A 66 9.512 -18.779 -23.790 1.00 25.05 C +ATOM 463 OG1 THR A 66 8.354 -19.596 -24.011 1.00 23.50 O +ATOM 464 CG2 THR A 66 9.141 -17.340 -24.071 1.00 25.56 C +ATOM 465 N VAL A 67 12.444 -17.918 -25.588 1.00 24.52 N +ATOM 466 CA VAL A 67 13.726 -17.222 -25.680 1.00 24.63 C +ATOM 467 C VAL A 67 13.520 -15.707 -25.554 1.00 23.82 C +ATOM 468 O VAL A 67 12.623 -15.132 -26.179 1.00 24.09 O +ATOM 469 CB VAL A 67 14.470 -17.571 -27.017 1.00 24.10 C +ATOM 470 CG1 VAL A 67 15.831 -16.904 -27.082 1.00 25.28 C +ATOM 471 CG2 VAL A 67 14.603 -19.102 -27.190 1.00 25.45 C +ATOM 472 N PHE A 68 14.365 -15.090 -24.734 1.00 24.75 N +ATOM 473 CA PHE A 68 14.461 -13.639 -24.554 1.00 24.70 C +ATOM 474 C PHE A 68 15.935 -13.343 -24.311 1.00 24.62 C +ATOM 475 O PHE A 68 16.763 -14.267 -24.271 1.00 24.20 O +ATOM 476 CB PHE A 68 13.619 -13.190 -23.347 1.00 25.02 C +ATOM 477 CG PHE A 68 13.966 -13.905 -22.063 1.00 25.64 C +ATOM 478 CD1 PHE A 68 14.834 -13.320 -21.138 1.00 25.35 C +ATOM 479 CD2 PHE A 68 13.456 -15.178 -21.784 1.00 25.97 C +ATOM 480 CE1 PHE A 68 15.179 -13.975 -19.954 1.00 24.99 C +ATOM 481 CE2 PHE A 68 13.793 -15.836 -20.597 1.00 26.08 C +ATOM 482 CZ PHE A 68 14.653 -15.244 -19.688 1.00 24.29 C +ATOM 483 N ASP A 69 16.289 -12.070 -24.158 1.00 24.24 N +ATOM 484 CA ASP A 69 17.701 -11.708 -23.892 1.00 24.39 C +ATOM 485 C ASP A 69 18.696 -12.098 -25.030 1.00 24.04 C +ATOM 486 O ASP A 69 19.911 -12.171 -24.807 1.00 23.35 O +ATOM 487 CB ASP A 69 18.181 -12.275 -22.530 1.00 24.66 C +ATOM 488 CG ASP A 69 17.930 -11.336 -21.338 1.00 25.80 C +ATOM 489 OD1 ASP A 69 17.262 -10.274 -21.465 1.00 24.88 O +ATOM 490 OD2 ASP A 69 18.409 -11.700 -20.227 1.00 25.60 O +ATOM 491 N ALA A 70 18.206 -12.299 -26.253 1.00 23.51 N +ATOM 492 CA ALA A 70 19.104 -12.584 -27.387 1.00 22.89 C +ATOM 493 C ALA A 70 20.153 -11.459 -27.564 1.00 22.96 C +ATOM 494 O ALA A 70 21.299 -11.706 -27.994 1.00 21.56 O +ATOM 495 CB ALA A 70 18.315 -12.790 -28.663 1.00 22.91 C +ATOM 496 N LYS A 71 19.763 -10.228 -27.218 1.00 22.70 N +ATOM 497 CA LYS A 71 20.666 -9.076 -27.375 1.00 23.23 C +ATOM 498 C LYS A 71 21.929 -9.184 -26.500 1.00 23.37 C +ATOM 499 O LYS A 71 22.969 -8.556 -26.802 1.00 24.20 O +ATOM 500 CB LYS A 71 19.908 -7.789 -27.066 1.00 21.48 C +ATOM 501 CG LYS A 71 20.676 -6.458 -27.414 1.00 21.06 C +ATOM 502 CD LYS A 71 19.698 -5.306 -27.303 1.00 19.38 C +ATOM 503 CE LYS A 71 20.388 -3.972 -27.534 1.00 19.83 C +ATOM 504 NZ LYS A 71 19.338 -2.884 -27.630 1.00 20.08 N +ATOM 505 N ARG A 72 21.827 -9.962 -25.413 1.00 23.93 N +ATOM 506 CA ARG A 72 22.972 -10.227 -24.542 1.00 23.08 C +ATOM 507 C ARG A 72 23.996 -11.179 -25.170 1.00 22.80 C +ATOM 508 O ARG A 72 25.154 -11.181 -24.754 1.00 22.05 O +ATOM 509 CB ARG A 72 22.530 -10.768 -23.163 1.00 23.57 C +ATOM 510 CG ARG A 72 21.716 -9.749 -22.345 1.00 21.30 C +ATOM 511 CD ARG A 72 21.411 -10.246 -20.924 1.00 23.01 C +ATOM 512 NE ARG A 72 20.543 -9.308 -20.203 1.00 23.58 N +ATOM 513 CZ ARG A 72 20.966 -8.215 -19.568 1.00 22.58 C +ATOM 514 NH1 ARG A 72 22.257 -7.902 -19.553 1.00 21.91 N +ATOM 515 NH2 ARG A 72 20.095 -7.428 -18.946 1.00 22.30 N +ATOM 516 N LEU A 73 23.550 -12.001 -26.127 1.00 22.76 N +ATOM 517 CA LEU A 73 24.409 -12.931 -26.844 1.00 22.48 C +ATOM 518 C LEU A 73 24.911 -12.419 -28.178 1.00 22.25 C +ATOM 519 O LEU A 73 25.903 -12.927 -28.703 1.00 21.72 O +ATOM 520 CB LEU A 73 23.666 -14.254 -27.107 1.00 22.20 C +ATOM 521 CG LEU A 73 23.195 -15.044 -25.896 1.00 24.49 C +ATOM 522 CD1 LEU A 73 22.257 -16.148 -26.387 1.00 24.59 C +ATOM 523 CD2 LEU A 73 24.387 -15.622 -25.121 1.00 23.67 C +ATOM 524 N ILE A 74 24.252 -11.395 -28.742 1.00 22.46 N +ATOM 525 CA ILE A 74 24.503 -11.079 -30.135 1.00 22.44 C +ATOM 526 C ILE A 74 25.951 -10.548 -30.328 1.00 22.48 C +ATOM 527 O ILE A 74 26.453 -9.754 -29.515 1.00 20.92 O +ATOM 528 CB ILE A 74 23.386 -10.112 -30.691 1.00 22.85 C +ATOM 529 CG1 ILE A 74 23.316 -10.193 -32.226 1.00 24.50 C +ATOM 530 CG2 ILE A 74 23.584 -8.698 -30.144 1.00 24.73 C +ATOM 531 CD1 ILE A 74 21.984 -9.713 -32.829 1.00 24.80 C +ATOM 532 N GLY A 75 26.630 -11.030 -31.369 1.00 21.92 N +ATOM 533 CA GLY A 75 28.010 -10.626 -31.655 1.00 23.18 C +ATOM 534 C GLY A 75 29.096 -11.090 -30.686 1.00 23.52 C +ATOM 535 O GLY A 75 30.235 -10.598 -30.741 1.00 23.45 O +ATOM 536 N ARG A 76 28.764 -12.047 -29.818 1.00 24.01 N +ATOM 537 CA ARG A 76 29.712 -12.571 -28.839 1.00 24.20 C +ATOM 538 C ARG A 76 30.114 -14.003 -29.163 1.00 23.92 C +ATOM 539 O ARG A 76 29.420 -14.683 -29.921 1.00 23.98 O +ATOM 540 CB ARG A 76 29.111 -12.539 -27.438 1.00 23.87 C +ATOM 541 CG ARG A 76 28.622 -11.155 -27.032 1.00 27.21 C +ATOM 542 CD ARG A 76 28.503 -11.073 -25.559 1.00 29.75 C +ATOM 543 NE ARG A 76 28.162 -9.732 -25.105 1.00 30.29 N +ATOM 544 CZ ARG A 76 29.040 -8.800 -24.737 1.00 31.93 C +ATOM 545 NH1 ARG A 76 30.350 -9.036 -24.771 1.00 32.70 N +ATOM 546 NH2 ARG A 76 28.600 -7.630 -24.302 1.00 30.25 N +ATOM 547 N ARG A 77 31.256 -14.398 -28.599 1.00 23.82 N +ATOM 548 CA ARG A 77 31.776 -15.778 -28.609 1.00 23.84 C +ATOM 549 C ARG A 77 31.223 -16.560 -27.419 1.00 23.66 C +ATOM 550 O ARG A 77 30.990 -16.008 -26.346 1.00 24.21 O +ATOM 551 CB ARG A 77 33.303 -15.763 -28.499 1.00 23.86 C +ATOM 552 CG ARG A 77 34.074 -15.415 -29.782 1.00 25.02 C +ATOM 553 CD ARG A 77 35.596 -15.325 -29.516 1.00 26.24 C +ATOM 554 NE ARG A 77 36.227 -16.579 -29.060 1.00 26.07 N +ATOM 555 CZ ARG A 77 36.686 -17.532 -29.870 1.00 28.02 C +ATOM 556 NH1 ARG A 77 36.580 -17.403 -31.189 1.00 28.67 N +ATOM 557 NH2 ARG A 77 37.254 -18.628 -29.367 1.00 26.21 N +ATOM 558 N PHE A 78 31.034 -17.860 -27.598 1.00 23.21 N +ATOM 559 CA PHE A 78 30.540 -18.707 -26.518 1.00 22.84 C +ATOM 560 C PHE A 78 31.404 -18.571 -25.254 1.00 23.42 C +ATOM 561 O PHE A 78 30.874 -18.456 -24.139 1.00 23.66 O +ATOM 562 CB PHE A 78 30.531 -20.167 -26.962 1.00 22.70 C +ATOM 563 CG PHE A 78 29.990 -21.100 -25.926 1.00 21.07 C +ATOM 564 CD1 PHE A 78 30.848 -21.889 -25.160 1.00 22.52 C +ATOM 565 CD2 PHE A 78 28.619 -21.194 -25.707 1.00 20.36 C +ATOM 566 CE1 PHE A 78 30.345 -22.752 -24.198 1.00 21.11 C +ATOM 567 CE2 PHE A 78 28.104 -22.051 -24.744 1.00 21.50 C +ATOM 568 CZ PHE A 78 28.971 -22.840 -23.987 1.00 21.30 C +ATOM 569 N ASP A 79 32.725 -18.576 -25.442 1.00 23.97 N +ATOM 570 CA ASP A 79 33.683 -18.544 -24.329 1.00 25.27 C +ATOM 571 C ASP A 79 33.837 -17.162 -23.686 1.00 25.18 C +ATOM 572 O ASP A 79 34.619 -17.004 -22.745 1.00 24.93 O +ATOM 573 CB ASP A 79 35.062 -19.073 -24.763 1.00 25.57 C +ATOM 574 CG ASP A 79 35.096 -20.587 -24.945 1.00 28.88 C +ATOM 575 OD1 ASP A 79 34.069 -21.267 -24.688 1.00 32.55 O +ATOM 576 OD2 ASP A 79 36.176 -21.103 -25.335 1.00 31.55 O +ATOM 577 N ASP A 80 33.104 -16.163 -24.184 1.00 25.70 N +ATOM 578 CA ASP A 80 33.137 -14.837 -23.565 1.00 26.38 C +ATOM 579 C ASP A 80 32.653 -14.896 -22.124 1.00 26.14 C +ATOM 580 O ASP A 80 31.663 -15.563 -21.825 1.00 26.21 O +ATOM 581 CB ASP A 80 32.309 -13.819 -24.357 1.00 26.95 C +ATOM 582 CG ASP A 80 32.991 -13.380 -25.641 1.00 28.97 C +ATOM 583 OD1 ASP A 80 34.189 -13.708 -25.841 1.00 29.08 O +ATOM 584 OD2 ASP A 80 32.320 -12.693 -26.446 1.00 29.76 O +ATOM 585 N ALA A 81 33.370 -14.207 -21.241 1.00 26.16 N +ATOM 586 CA ALA A 81 33.007 -14.119 -19.826 1.00 26.28 C +ATOM 587 C ALA A 81 31.544 -13.694 -19.598 1.00 26.38 C +ATOM 588 O ALA A 81 30.861 -14.260 -18.730 1.00 26.50 O +ATOM 589 CB ALA A 81 33.964 -13.184 -19.094 1.00 26.30 C +ATOM 590 N VAL A 82 31.070 -12.724 -20.386 1.00 26.55 N +ATOM 591 CA VAL A 82 29.683 -12.235 -20.283 1.00 26.79 C +ATOM 592 C VAL A 82 28.671 -13.358 -20.529 1.00 26.17 C +ATOM 593 O VAL A 82 27.727 -13.527 -19.758 1.00 26.73 O +ATOM 594 CB VAL A 82 29.414 -11.013 -21.224 1.00 26.99 C +ATOM 595 CG1 VAL A 82 27.970 -10.602 -21.170 1.00 27.89 C +ATOM 596 CG2 VAL A 82 30.297 -9.834 -20.812 1.00 28.93 C +ATOM 597 N VAL A 83 28.905 -14.144 -21.580 1.00 25.78 N +ATOM 598 CA VAL A 83 28.006 -15.234 -21.975 1.00 25.26 C +ATOM 599 C VAL A 83 27.974 -16.321 -20.902 1.00 25.56 C +ATOM 600 O VAL A 83 26.904 -16.772 -20.491 1.00 24.48 O +ATOM 601 CB VAL A 83 28.421 -15.841 -23.343 1.00 25.66 C +ATOM 602 CG1 VAL A 83 27.541 -17.019 -23.711 1.00 24.58 C +ATOM 603 CG2 VAL A 83 28.367 -14.784 -24.449 1.00 24.98 C +ATOM 604 N GLN A 84 29.157 -16.730 -20.443 1.00 25.69 N +ATOM 605 CA GLN A 84 29.248 -17.754 -19.397 1.00 26.54 C +ATOM 606 C GLN A 84 28.506 -17.340 -18.129 1.00 26.90 C +ATOM 607 O GLN A 84 27.816 -18.152 -17.517 1.00 26.89 O +ATOM 608 CB GLN A 84 30.710 -18.115 -19.116 1.00 26.50 C +ATOM 609 CG GLN A 84 31.384 -18.812 -20.301 1.00 26.76 C +ATOM 610 CD GLN A 84 30.621 -20.054 -20.741 1.00 28.30 C +ATOM 611 OE1 GLN A 84 30.353 -20.945 -19.932 1.00 28.84 O +ATOM 612 NE2 GLN A 84 30.268 -20.117 -22.018 1.00 26.91 N +ATOM 613 N SER A 85 28.620 -16.063 -17.769 1.00 27.25 N +ATOM 614 CA SER A 85 27.929 -15.519 -16.600 1.00 27.69 C +ATOM 615 C SER A 85 26.413 -15.471 -16.803 1.00 28.03 C +ATOM 616 O SER A 85 25.657 -15.963 -15.966 1.00 27.82 O +ATOM 617 CB SER A 85 28.462 -14.120 -16.272 1.00 28.04 C +ATOM 618 OG SER A 85 27.930 -13.641 -15.049 1.00 27.53 O +ATOM 619 N ASP A 86 25.976 -14.892 -17.925 1.00 28.06 N +ATOM 620 CA ASP A 86 24.544 -14.705 -18.188 1.00 28.82 C +ATOM 621 C ASP A 86 23.773 -16.016 -18.287 1.00 28.97 C +ATOM 622 O ASP A 86 22.602 -16.071 -17.927 1.00 29.09 O +ATOM 623 CB ASP A 86 24.310 -13.897 -19.471 1.00 28.61 C +ATOM 624 CG ASP A 86 24.617 -12.413 -19.309 1.00 29.62 C +ATOM 625 OD1 ASP A 86 24.684 -11.916 -18.157 1.00 30.47 O +ATOM 626 OD2 ASP A 86 24.779 -11.738 -20.348 1.00 28.77 O +ATOM 627 N MET A 87 24.419 -17.059 -18.795 1.00 29.65 N +ATOM 628 CA MET A 87 23.741 -18.337 -19.029 1.00 30.65 C +ATOM 629 C MET A 87 23.028 -18.895 -17.799 1.00 31.10 C +ATOM 630 O MET A 87 22.042 -19.625 -17.939 1.00 30.89 O +ATOM 631 CB MET A 87 24.722 -19.377 -19.570 1.00 31.21 C +ATOM 632 CG MET A 87 24.877 -19.332 -21.077 1.00 32.49 C +ATOM 633 SD MET A 87 26.347 -20.211 -21.648 1.00 34.92 S +ATOM 634 CE MET A 87 25.919 -21.918 -21.273 1.00 32.57 C +ATOM 635 N LYS A 88 23.520 -18.551 -16.606 1.00 31.67 N +ATOM 636 CA LYS A 88 22.968 -19.096 -15.354 1.00 32.58 C +ATOM 637 C LYS A 88 21.543 -18.614 -15.050 1.00 32.88 C +ATOM 638 O LYS A 88 20.791 -19.290 -14.343 1.00 33.08 O +ATOM 639 CB LYS A 88 23.892 -18.810 -14.159 1.00 32.61 C +ATOM 640 CG LYS A 88 23.875 -17.367 -13.647 1.00 33.76 C +ATOM 641 CD LYS A 88 23.982 -17.279 -12.122 1.00 36.44 C +ATOM 642 CE LYS A 88 22.611 -17.329 -11.441 1.00 37.21 C +ATOM 643 NZ LYS A 88 22.703 -17.100 -9.971 1.00 38.70 N +ATOM 644 N HIS A 89 21.193 -17.447 -15.579 1.00 33.20 N +ATOM 645 CA HIS A 89 19.896 -16.823 -15.334 1.00 33.43 C +ATOM 646 C HIS A 89 18.790 -17.315 -16.279 1.00 32.42 C +ATOM 647 O HIS A 89 17.605 -17.163 -15.975 1.00 33.02 O +ATOM 648 CB HIS A 89 20.002 -15.299 -15.472 1.00 34.07 C +ATOM 649 CG HIS A 89 21.142 -14.693 -14.715 1.00 36.87 C +ATOM 650 ND1 HIS A 89 21.253 -14.772 -13.344 1.00 39.30 N +ATOM 651 CD2 HIS A 89 22.209 -13.973 -15.139 1.00 39.11 C +ATOM 652 CE1 HIS A 89 22.349 -14.143 -12.955 1.00 40.24 C +ATOM 653 NE2 HIS A 89 22.947 -13.649 -14.026 1.00 40.47 N +ATOM 654 N TRP A 90 19.170 -17.887 -17.417 1.00 30.32 N +ATOM 655 CA TRP A 90 18.192 -18.267 -18.443 1.00 28.95 C +ATOM 656 C TRP A 90 17.668 -19.688 -18.282 1.00 28.86 C +ATOM 657 O TRP A 90 18.456 -20.597 -18.030 1.00 28.73 O +ATOM 658 CB TRP A 90 18.785 -18.120 -19.839 1.00 28.18 C +ATOM 659 CG TRP A 90 19.240 -16.730 -20.137 1.00 27.62 C +ATOM 660 CD1 TRP A 90 18.621 -15.565 -19.772 1.00 27.86 C +ATOM 661 CD2 TRP A 90 20.407 -16.357 -20.875 1.00 27.12 C +ATOM 662 NE1 TRP A 90 19.341 -14.484 -20.233 1.00 25.08 N +ATOM 663 CE2 TRP A 90 20.437 -14.940 -20.923 1.00 27.11 C +ATOM 664 CE3 TRP A 90 21.426 -17.079 -21.516 1.00 26.32 C +ATOM 665 CZ2 TRP A 90 21.461 -14.233 -21.575 1.00 26.33 C +ATOM 666 CZ3 TRP A 90 22.447 -16.381 -22.157 1.00 27.78 C +ATOM 667 CH2 TRP A 90 22.453 -14.964 -22.188 1.00 25.55 C +ATOM 668 N PRO A 91 16.340 -19.877 -18.450 1.00 28.44 N +ATOM 669 CA PRO A 91 15.706 -21.200 -18.408 1.00 28.53 C +ATOM 670 C PRO A 91 15.851 -21.975 -19.717 1.00 28.44 C +ATOM 671 O PRO A 91 15.558 -23.173 -19.752 1.00 27.91 O +ATOM 672 CB PRO A 91 14.231 -20.872 -18.165 1.00 28.55 C +ATOM 673 CG PRO A 91 14.048 -19.514 -18.777 1.00 28.65 C +ATOM 674 CD PRO A 91 15.356 -18.796 -18.670 1.00 28.65 C +ATOM 675 N PHE A 92 16.268 -21.290 -20.782 1.00 28.11 N +ATOM 676 CA PHE A 92 16.540 -21.945 -22.059 1.00 28.11 C +ATOM 677 C PHE A 92 18.017 -22.339 -22.193 1.00 28.24 C +ATOM 678 O PHE A 92 18.894 -21.757 -21.545 1.00 29.02 O +ATOM 679 CB PHE A 92 16.098 -21.067 -23.236 1.00 27.95 C +ATOM 680 CG PHE A 92 16.712 -19.702 -23.232 1.00 25.92 C +ATOM 681 CD1 PHE A 92 17.975 -19.491 -23.777 1.00 24.34 C +ATOM 682 CD2 PHE A 92 16.021 -18.624 -22.677 1.00 27.23 C +ATOM 683 CE1 PHE A 92 18.546 -18.201 -23.775 1.00 25.79 C +ATOM 684 CE2 PHE A 92 16.583 -17.343 -22.664 1.00 25.25 C +ATOM 685 CZ PHE A 92 17.847 -17.140 -23.207 1.00 25.00 C +ATOM 686 N MET A 93 18.280 -23.315 -23.055 1.00 27.96 N +ATOM 687 CA MET A 93 19.625 -23.841 -23.271 1.00 27.85 C +ATOM 688 C MET A 93 20.465 -22.964 -24.207 1.00 27.16 C +ATOM 689 O MET A 93 19.955 -22.479 -25.217 1.00 27.26 O +ATOM 690 CB MET A 93 19.489 -25.248 -23.850 1.00 28.72 C +ATOM 691 CG MET A 93 20.707 -26.134 -23.758 1.00 31.19 C +ATOM 692 SD MET A 93 20.270 -27.875 -23.494 1.00 37.04 S +ATOM 693 CE MET A 93 18.600 -27.989 -24.161 1.00 34.57 C +ATOM 694 N VAL A 94 21.729 -22.741 -23.848 1.00 26.07 N +ATOM 695 CA VAL A 94 22.709 -22.132 -24.755 1.00 25.75 C +ATOM 696 C VAL A 94 23.866 -23.115 -24.969 1.00 25.95 C +ATOM 697 O VAL A 94 24.452 -23.648 -24.010 1.00 25.58 O +ATOM 698 CB VAL A 94 23.221 -20.722 -24.278 1.00 25.69 C +ATOM 699 CG1 VAL A 94 24.224 -20.116 -25.290 1.00 24.42 C +ATOM 700 CG2 VAL A 94 22.049 -19.781 -24.040 1.00 25.83 C +ATOM 701 N VAL A 95 24.158 -23.378 -26.238 1.00 25.88 N +ATOM 702 CA VAL A 95 25.182 -24.344 -26.617 1.00 25.65 C +ATOM 703 C VAL A 95 26.263 -23.709 -27.496 1.00 26.16 C +ATOM 704 O VAL A 95 26.069 -22.615 -28.038 1.00 25.51 O +ATOM 705 CB VAL A 95 24.543 -25.582 -27.306 1.00 25.69 C +ATOM 706 CG1 VAL A 95 23.524 -26.231 -26.374 1.00 25.49 C +ATOM 707 CG2 VAL A 95 23.895 -25.196 -28.647 1.00 24.42 C +ATOM 708 N ASN A 96 27.400 -24.392 -27.606 1.00 26.31 N +ATOM 709 CA ASN A 96 28.570 -23.911 -28.353 1.00 27.00 C +ATOM 710 C ASN A 96 28.623 -24.559 -29.731 1.00 27.59 C +ATOM 711 O ASN A 96 28.679 -25.779 -29.833 1.00 27.38 O +ATOM 712 CB ASN A 96 29.846 -24.268 -27.563 1.00 26.81 C +ATOM 713 CG ASN A 96 31.128 -23.718 -28.191 1.00 27.53 C +ATOM 714 OD1 ASN A 96 31.123 -23.133 -29.275 1.00 29.06 O +ATOM 715 ND2 ASN A 96 32.241 -23.909 -27.493 1.00 27.99 N +ATOM 716 N ASP A 97 28.611 -23.751 -30.788 1.00 28.03 N +ATOM 717 CA ASP A 97 28.791 -24.286 -32.141 1.00 28.90 C +ATOM 718 C ASP A 97 30.042 -23.688 -32.790 1.00 28.82 C +ATOM 719 O ASP A 97 30.003 -22.566 -33.301 1.00 29.46 O +ATOM 720 CB ASP A 97 27.545 -24.023 -32.998 1.00 29.56 C +ATOM 721 CG ASP A 97 27.526 -24.842 -34.289 1.00 30.23 C +ATOM 722 OD1 ASP A 97 28.597 -25.258 -34.777 1.00 31.85 O +ATOM 723 OD2 ASP A 97 26.422 -25.064 -34.828 1.00 31.43 O +ATOM 724 N ALA A 98 31.150 -24.435 -32.751 1.00 28.57 N +ATOM 725 CA ALA A 98 32.435 -23.970 -33.305 1.00 28.23 C +ATOM 726 C ALA A 98 32.846 -22.587 -32.773 1.00 28.00 C +ATOM 727 O ALA A 98 33.352 -21.745 -33.522 1.00 28.21 O +ATOM 728 CB ALA A 98 32.403 -23.977 -34.845 1.00 27.93 C +ATOM 729 N GLY A 99 32.613 -22.360 -31.482 1.00 27.56 N +ATOM 730 CA GLY A 99 32.995 -21.108 -30.831 1.00 27.32 C +ATOM 731 C GLY A 99 31.889 -20.068 -30.750 1.00 26.99 C +ATOM 732 O GLY A 99 32.029 -19.071 -30.045 1.00 27.14 O +ATOM 733 N ARG A 100 30.781 -20.313 -31.450 1.00 26.70 N +ATOM 734 CA ARG A 100 29.645 -19.380 -31.499 1.00 27.04 C +ATOM 735 C ARG A 100 28.487 -19.845 -30.620 1.00 25.95 C +ATOM 736 O ARG A 100 28.155 -21.043 -30.632 1.00 24.92 O +ATOM 737 CB ARG A 100 29.170 -19.221 -32.945 1.00 27.39 C +ATOM 738 CG ARG A 100 30.187 -18.497 -33.828 1.00 30.65 C +ATOM 739 CD ARG A 100 29.788 -18.511 -35.288 1.00 34.86 C +ATOM 740 NE ARG A 100 28.558 -17.764 -35.532 1.00 38.31 N +ATOM 741 CZ ARG A 100 27.895 -17.774 -36.687 1.00 39.39 C +ATOM 742 NH1 ARG A 100 28.332 -18.501 -37.715 1.00 39.62 N +ATOM 743 NH2 ARG A 100 26.783 -17.064 -36.805 1.00 41.02 N +ATOM 744 N PRO A 101 27.846 -18.911 -29.875 1.00 24.72 N +ATOM 745 CA PRO A 101 26.737 -19.385 -29.031 1.00 24.28 C +ATOM 746 C PRO A 101 25.460 -19.638 -29.839 1.00 24.14 C +ATOM 747 O PRO A 101 25.184 -18.909 -30.793 1.00 23.88 O +ATOM 748 CB PRO A 101 26.519 -18.229 -28.042 1.00 24.52 C +ATOM 749 CG PRO A 101 26.932 -16.989 -28.822 1.00 23.93 C +ATOM 750 CD PRO A 101 28.032 -17.440 -29.774 1.00 24.91 C +ATOM 751 N LYS A 102 24.706 -20.680 -29.484 1.00 23.34 N +ATOM 752 CA LYS A 102 23.381 -20.902 -30.083 1.00 22.84 C +ATOM 753 C LYS A 102 22.364 -21.198 -28.996 1.00 22.93 C +ATOM 754 O LYS A 102 22.691 -21.862 -28.009 1.00 23.76 O +ATOM 755 CB LYS A 102 23.392 -22.081 -31.079 1.00 22.36 C +ATOM 756 CG LYS A 102 24.324 -21.905 -32.273 1.00 22.15 C +ATOM 757 CD LYS A 102 24.014 -22.878 -33.397 1.00 23.11 C +ATOM 758 CE LYS A 102 22.825 -22.435 -34.244 1.00 21.10 C +ATOM 759 NZ LYS A 102 22.524 -23.453 -35.315 1.00 16.85 N +ATOM 760 N VAL A 103 21.135 -20.710 -29.164 1.00 22.90 N +ATOM 761 CA VAL A 103 20.037 -21.123 -28.279 1.00 22.52 C +ATOM 762 C VAL A 103 19.481 -22.416 -28.820 1.00 22.73 C +ATOM 763 O VAL A 103 19.327 -22.557 -30.026 1.00 22.04 O +ATOM 764 CB VAL A 103 18.890 -20.081 -28.184 1.00 23.40 C +ATOM 765 CG1 VAL A 103 19.439 -18.774 -27.687 1.00 24.61 C +ATOM 766 CG2 VAL A 103 18.148 -19.943 -29.526 1.00 23.24 C +ATOM 767 N GLN A 104 19.224 -23.363 -27.925 1.00 22.44 N +ATOM 768 CA GLN A 104 18.654 -24.640 -28.315 1.00 23.08 C +ATOM 769 C GLN A 104 17.264 -24.789 -27.711 1.00 23.31 C +ATOM 770 O GLN A 104 17.064 -24.555 -26.509 1.00 23.87 O +ATOM 771 CB GLN A 104 19.568 -25.769 -27.885 1.00 22.41 C +ATOM 772 CG GLN A 104 19.095 -27.137 -28.337 1.00 22.83 C +ATOM 773 CD GLN A 104 20.157 -28.186 -28.131 1.00 23.13 C +ATOM 774 OE1 GLN A 104 20.979 -28.450 -29.019 1.00 22.83 O +ATOM 775 NE2 GLN A 104 20.165 -28.778 -26.953 1.00 23.82 N +ATOM 776 N VAL A 105 16.307 -25.171 -28.559 1.00 23.24 N +ATOM 777 CA VAL A 105 14.899 -25.244 -28.173 1.00 23.24 C +ATOM 778 C VAL A 105 14.256 -26.497 -28.739 1.00 23.61 C +ATOM 779 O VAL A 105 14.814 -27.143 -29.630 1.00 22.63 O +ATOM 780 CB VAL A 105 14.083 -24.005 -28.663 1.00 23.72 C +ATOM 781 CG1 VAL A 105 14.513 -22.764 -27.920 1.00 22.74 C +ATOM 782 CG2 VAL A 105 14.185 -23.810 -30.191 1.00 22.94 C +ATOM 783 N GLU A 106 13.071 -26.810 -28.219 1.00 24.43 N +ATOM 784 CA GLU A 106 12.218 -27.838 -28.777 1.00 25.97 C +ATOM 785 C GLU A 106 11.153 -27.130 -29.590 1.00 26.60 C +ATOM 786 O GLU A 106 10.458 -26.251 -29.083 1.00 27.20 O +ATOM 787 CB GLU A 106 11.572 -28.658 -27.661 1.00 25.19 C +ATOM 788 CG GLU A 106 12.545 -29.560 -26.903 1.00 26.99 C +ATOM 789 CD GLU A 106 13.197 -30.634 -27.791 1.00 27.36 C +ATOM 790 OE1 GLU A 106 12.435 -31.321 -28.565 1.00 29.22 O +ATOM 791 OE2 GLU A 106 14.483 -30.806 -27.701 1.00 28.45 O +ATOM 792 N TYR A 107 11.034 -27.504 -30.857 1.00 27.69 N +ATOM 793 CA TYR A 107 10.074 -26.872 -31.743 1.00 28.85 C +ATOM 794 C TYR A 107 9.432 -27.931 -32.625 1.00 29.27 C +ATOM 795 O TYR A 107 10.121 -28.612 -33.385 1.00 29.24 O +ATOM 796 CB TYR A 107 10.747 -25.772 -32.583 1.00 29.65 C +ATOM 797 CG TYR A 107 9.827 -25.060 -33.556 1.00 30.36 C +ATOM 798 CD1 TYR A 107 8.484 -24.836 -33.246 1.00 32.40 C +ATOM 799 CD2 TYR A 107 10.307 -24.593 -34.779 1.00 32.21 C +ATOM 800 CE1 TYR A 107 7.636 -24.188 -34.132 1.00 34.00 C +ATOM 801 CE2 TYR A 107 9.467 -23.933 -35.678 1.00 33.51 C +ATOM 802 CZ TYR A 107 8.131 -23.735 -35.345 1.00 34.76 C +ATOM 803 OH TYR A 107 7.280 -23.089 -36.223 1.00 34.47 O +ATOM 804 N LYS A 108 8.111 -28.055 -32.497 1.00 29.74 N +ATOM 805 CA LYS A 108 7.296 -29.040 -33.228 1.00 30.30 C +ATOM 806 C LYS A 108 7.739 -30.484 -32.994 1.00 30.32 C +ATOM 807 O LYS A 108 7.668 -31.337 -33.893 1.00 30.66 O +ATOM 808 CB LYS A 108 7.214 -28.706 -34.723 1.00 30.54 C +ATOM 809 CG LYS A 108 6.417 -27.436 -35.009 1.00 31.29 C +ATOM 810 CD LYS A 108 6.404 -27.109 -36.486 1.00 33.08 C +ATOM 811 CE LYS A 108 5.578 -25.865 -36.747 1.00 34.52 C +ATOM 812 NZ LYS A 108 6.009 -25.173 -37.996 1.00 35.53 N +ATOM 813 N GLY A 109 8.179 -30.754 -31.769 1.00 30.21 N +ATOM 814 CA GLY A 109 8.659 -32.083 -31.403 1.00 29.64 C +ATOM 815 C GLY A 109 10.083 -32.324 -31.887 1.00 29.48 C +ATOM 816 O GLY A 109 10.555 -33.455 -31.892 1.00 29.45 O +ATOM 817 N GLU A 110 10.782 -31.255 -32.279 1.00 29.17 N +ATOM 818 CA GLU A 110 12.154 -31.386 -32.768 1.00 28.86 C +ATOM 819 C GLU A 110 13.124 -30.468 -32.034 1.00 28.28 C +ATOM 820 O GLU A 110 12.767 -29.343 -31.661 1.00 28.19 O +ATOM 821 CB GLU A 110 12.214 -31.116 -34.277 1.00 29.28 C +ATOM 822 CG GLU A 110 11.696 -32.280 -35.149 1.00 30.18 C +ATOM 823 CD GLU A 110 11.829 -32.010 -36.650 1.00 31.27 C +ATOM 824 OE1 GLU A 110 12.092 -30.851 -37.052 1.00 31.56 O +ATOM 825 OE2 GLU A 110 11.660 -32.967 -37.435 1.00 31.63 O +ATOM 826 N THR A 111 14.350 -30.951 -31.820 1.00 27.38 N +ATOM 827 CA THR A 111 15.401 -30.123 -31.230 1.00 27.02 C +ATOM 828 C THR A 111 15.950 -29.188 -32.308 1.00 26.26 C +ATOM 829 O THR A 111 16.406 -29.642 -33.366 1.00 26.40 O +ATOM 830 CB THR A 111 16.534 -30.985 -30.610 1.00 26.99 C +ATOM 831 OG1 THR A 111 15.998 -31.797 -29.558 1.00 28.20 O +ATOM 832 CG2 THR A 111 17.650 -30.124 -30.036 1.00 27.86 C +ATOM 833 N LYS A 112 15.881 -27.887 -32.044 1.00 25.64 N +ATOM 834 CA LYS A 112 16.385 -26.884 -32.974 1.00 24.63 C +ATOM 835 C LYS A 112 17.254 -25.875 -32.246 1.00 24.03 C +ATOM 836 O LYS A 112 17.013 -25.576 -31.076 1.00 23.87 O +ATOM 837 CB LYS A 112 15.228 -26.158 -33.664 1.00 24.98 C +ATOM 838 CG LYS A 112 14.395 -27.016 -34.614 1.00 25.58 C +ATOM 839 CD LYS A 112 15.233 -27.535 -35.793 1.00 27.64 C +ATOM 840 CE LYS A 112 14.437 -28.487 -36.676 1.00 30.89 C +ATOM 841 NZ LYS A 112 13.254 -27.792 -37.262 1.00 33.12 N +ATOM 842 N SER A 113 18.259 -25.354 -32.943 1.00 22.87 N +ATOM 843 CA SER A 113 19.132 -24.324 -32.372 1.00 22.22 C +ATOM 844 C SER A 113 19.239 -23.143 -33.332 1.00 21.44 C +ATOM 845 O SER A 113 19.259 -23.350 -34.550 1.00 21.00 O +ATOM 846 CB SER A 113 20.516 -24.919 -32.095 1.00 21.48 C +ATOM 847 OG SER A 113 21.148 -25.299 -33.297 1.00 22.25 O +ATOM 848 N PHE A 114 19.299 -21.922 -32.779 1.00 21.80 N +ATOM 849 CA PHE A 114 19.409 -20.687 -33.566 1.00 21.51 C +ATOM 850 C PHE A 114 20.541 -19.793 -33.064 1.00 21.69 C +ATOM 851 O PHE A 114 20.798 -19.734 -31.864 1.00 21.77 O +ATOM 852 CB PHE A 114 18.081 -19.906 -33.525 1.00 21.74 C +ATOM 853 CG PHE A 114 16.915 -20.682 -34.100 1.00 21.86 C +ATOM 854 CD1 PHE A 114 16.029 -21.355 -33.263 1.00 23.49 C +ATOM 855 CD2 PHE A 114 16.739 -20.777 -35.481 1.00 22.76 C +ATOM 856 CE1 PHE A 114 14.968 -22.094 -33.794 1.00 22.10 C +ATOM 857 CE2 PHE A 114 15.681 -21.505 -36.023 1.00 22.76 C +ATOM 858 CZ PHE A 114 14.795 -22.169 -35.176 1.00 23.62 C +ATOM 859 N TYR A 115 21.219 -19.113 -33.985 1.00 21.98 N +ATOM 860 CA TYR A 115 22.229 -18.109 -33.601 1.00 22.15 C +ATOM 861 C TYR A 115 21.492 -16.901 -33.027 1.00 23.42 C +ATOM 862 O TYR A 115 20.318 -16.697 -33.348 1.00 23.62 O +ATOM 863 CB TYR A 115 23.080 -17.690 -34.804 1.00 22.03 C +ATOM 864 CG TYR A 115 23.961 -18.790 -35.346 1.00 21.42 C +ATOM 865 CD1 TYR A 115 25.129 -19.178 -34.674 1.00 20.51 C +ATOM 866 CD2 TYR A 115 23.628 -19.456 -36.527 1.00 21.08 C +ATOM 867 CE1 TYR A 115 25.942 -20.216 -35.172 1.00 20.54 C +ATOM 868 CE2 TYR A 115 24.431 -20.477 -37.028 1.00 20.70 C +ATOM 869 CZ TYR A 115 25.586 -20.848 -36.349 1.00 21.08 C +ATOM 870 OH TYR A 115 26.376 -21.864 -36.846 1.00 19.74 O +ATOM 871 N PRO A 116 22.157 -16.117 -32.152 1.00 24.20 N +ATOM 872 CA PRO A 116 21.549 -14.892 -31.581 1.00 25.55 C +ATOM 873 C PRO A 116 20.961 -13.991 -32.666 1.00 25.03 C +ATOM 874 O PRO A 116 19.842 -13.496 -32.500 1.00 25.82 O +ATOM 875 CB PRO A 116 22.743 -14.198 -30.919 1.00 25.51 C +ATOM 876 CG PRO A 116 23.602 -15.334 -30.479 1.00 25.49 C +ATOM 877 CD PRO A 116 23.514 -16.336 -31.621 1.00 24.58 C +ATOM 878 N GLU A 117 21.682 -13.805 -33.773 1.00 26.65 N +ATOM 879 CA GLU A 117 21.156 -12.945 -34.850 1.00 25.99 C +ATOM 880 C GLU A 117 19.924 -13.561 -35.531 1.00 25.48 C +ATOM 881 O GLU A 117 19.071 -12.838 -36.045 1.00 25.38 O +ATOM 882 CB GLU A 117 22.235 -12.526 -35.857 1.00 27.42 C +ATOM 883 CG GLU A 117 22.862 -13.670 -36.614 1.00 27.49 C +ATOM 884 CD GLU A 117 24.084 -14.288 -35.928 1.00 31.93 C +ATOM 885 OE1 GLU A 117 24.219 -14.229 -34.685 1.00 31.27 O +ATOM 886 OE2 GLU A 117 24.911 -14.859 -36.668 1.00 34.16 O +ATOM 887 N GLU A 118 19.802 -14.902 -35.523 1.00 23.94 N +ATOM 888 CA GLU A 118 18.582 -15.509 -36.033 1.00 23.69 C +ATOM 889 C GLU A 118 17.357 -15.255 -35.122 1.00 23.98 C +ATOM 890 O GLU A 118 16.263 -14.935 -35.613 1.00 23.92 O +ATOM 891 CB GLU A 118 18.795 -17.026 -36.286 1.00 23.27 C +ATOM 892 CG GLU A 118 19.778 -17.292 -37.445 1.00 23.49 C +ATOM 893 CD GLU A 118 20.070 -18.768 -37.665 1.00 26.40 C +ATOM 894 OE1 GLU A 118 20.180 -19.522 -36.664 1.00 24.09 O +ATOM 895 OE2 GLU A 118 20.223 -19.161 -38.842 1.00 26.17 O +ATOM 896 N VAL A 119 17.526 -15.383 -33.802 1.00 23.72 N +ATOM 897 CA VAL A 119 16.456 -15.030 -32.864 1.00 23.88 C +ATOM 898 C VAL A 119 16.064 -13.548 -33.014 1.00 24.17 C +ATOM 899 O VAL A 119 14.877 -13.236 -33.127 1.00 24.40 O +ATOM 900 CB VAL A 119 16.850 -15.310 -31.414 1.00 23.97 C +ATOM 901 CG1 VAL A 119 15.742 -14.888 -30.453 1.00 24.80 C +ATOM 902 CG2 VAL A 119 17.123 -16.828 -31.253 1.00 23.68 C +ATOM 903 N SER A 120 17.065 -12.674 -33.031 1.00 25.65 N +ATOM 904 CA SER A 120 16.783 -11.238 -33.187 1.00 25.49 C +ATOM 905 C SER A 120 16.117 -10.926 -34.538 1.00 25.46 C +ATOM 906 O SER A 120 15.297 -9.983 -34.622 1.00 25.32 O +ATOM 907 CB SER A 120 18.033 -10.366 -32.931 1.00 26.18 C +ATOM 908 OG SER A 120 18.378 -10.405 -31.544 1.00 25.34 O +ATOM 909 N SER A 121 16.434 -11.701 -35.581 1.00 24.76 N +ATOM 910 CA SER A 121 15.754 -11.510 -36.875 1.00 24.49 C +ATOM 911 C SER A 121 14.235 -11.757 -36.727 1.00 25.15 C +ATOM 912 O SER A 121 13.433 -11.107 -37.399 1.00 25.16 O +ATOM 913 CB SER A 121 16.362 -12.372 -38.001 1.00 24.45 C +ATOM 914 OG SER A 121 15.861 -13.714 -37.957 1.00 24.02 O +ATOM 915 N MET A 122 13.849 -12.701 -35.852 1.00 24.83 N +ATOM 916 CA MET A 122 12.433 -13.042 -35.659 1.00 25.52 C +ATOM 917 C MET A 122 11.681 -11.865 -35.003 1.00 25.76 C +ATOM 918 O MET A 122 10.550 -11.508 -35.416 1.00 26.02 O +ATOM 919 CB MET A 122 12.304 -14.366 -34.870 1.00 25.61 C +ATOM 920 CG MET A 122 13.037 -15.533 -35.516 1.00 26.69 C +ATOM 921 SD MET A 122 13.098 -17.009 -34.452 1.00 27.47 S +ATOM 922 CE MET A 122 14.045 -18.128 -35.483 1.00 23.48 C +ATOM 923 N VAL A 123 12.344 -11.217 -34.035 1.00 25.64 N +ATOM 924 CA VAL A 123 11.842 -9.977 -33.428 1.00 26.36 C +ATOM 925 C VAL A 123 11.735 -8.874 -34.492 1.00 26.61 C +ATOM 926 O VAL A 123 10.687 -8.216 -34.614 1.00 26.86 O +ATOM 927 CB VAL A 123 12.694 -9.559 -32.199 1.00 26.02 C +ATOM 928 CG1 VAL A 123 12.146 -8.289 -31.545 1.00 26.39 C +ATOM 929 CG2 VAL A 123 12.630 -10.666 -31.142 1.00 24.44 C +ATOM 930 N LEU A 124 12.781 -8.704 -35.299 1.00 26.67 N +ATOM 931 CA LEU A 124 12.756 -7.676 -36.367 1.00 26.12 C +ATOM 932 C LEU A 124 11.675 -7.968 -37.411 1.00 26.53 C +ATOM 933 O LEU A 124 10.993 -7.064 -37.873 1.00 25.58 O +ATOM 934 CB LEU A 124 14.130 -7.554 -37.049 1.00 26.52 C +ATOM 935 CG LEU A 124 15.230 -6.957 -36.169 1.00 25.23 C +ATOM 936 CD1 LEU A 124 16.566 -6.981 -36.911 1.00 26.49 C +ATOM 937 CD2 LEU A 124 14.860 -5.484 -35.790 1.00 26.25 C +ATOM 938 N THR A 125 11.482 -9.244 -37.752 1.00 24.73 N +ATOM 939 CA THR A 125 10.418 -9.630 -38.662 1.00 25.64 C +ATOM 940 C THR A 125 9.049 -9.191 -38.112 1.00 24.98 C +ATOM 941 O THR A 125 8.226 -8.633 -38.849 1.00 25.82 O +ATOM 942 CB THR A 125 10.448 -11.191 -38.933 1.00 24.88 C +ATOM 943 OG1 THR A 125 11.570 -11.498 -39.766 1.00 28.64 O +ATOM 944 CG2 THR A 125 9.180 -11.682 -39.617 1.00 28.46 C +ATOM 945 N LYS A 126 8.828 -9.396 -36.812 1.00 24.76 N +ATOM 946 CA LYS A 126 7.555 -8.998 -36.199 1.00 25.41 C +ATOM 947 C LYS A 126 7.386 -7.484 -36.278 1.00 25.04 C +ATOM 948 O LYS A 126 6.315 -6.986 -36.596 1.00 25.22 O +ATOM 949 CB LYS A 126 7.494 -9.439 -34.743 1.00 24.98 C +ATOM 950 CG LYS A 126 6.241 -9.013 -33.995 1.00 26.22 C +ATOM 951 CD LYS A 126 5.005 -9.689 -34.538 1.00 30.46 C +ATOM 952 CE LYS A 126 3.911 -9.659 -33.486 1.00 32.84 C +ATOM 953 NZ LYS A 126 2.674 -10.211 -34.074 1.00 31.57 N +ATOM 954 N MET A 127 8.448 -6.752 -35.981 1.00 24.72 N +ATOM 955 CA MET A 127 8.360 -5.272 -36.044 1.00 24.18 C +ATOM 956 C MET A 127 8.086 -4.775 -37.481 1.00 25.37 C +ATOM 957 O MET A 127 7.314 -3.822 -37.675 1.00 24.43 O +ATOM 958 CB MET A 127 9.616 -4.614 -35.455 1.00 23.79 C +ATOM 959 CG MET A 127 9.979 -5.050 -34.007 1.00 24.14 C +ATOM 960 SD MET A 127 8.594 -5.111 -32.830 1.00 26.32 S +ATOM 961 CE MET A 127 8.107 -3.350 -32.848 1.00 23.74 C +ATOM 962 N LYS A 128 8.725 -5.425 -38.461 1.00 24.71 N +ATOM 963 CA LYS A 128 8.484 -5.193 -39.892 1.00 25.10 C +ATOM 964 C LYS A 128 6.995 -5.410 -40.200 1.00 25.46 C +ATOM 965 O LYS A 128 6.336 -4.549 -40.786 1.00 24.96 O +ATOM 966 CB LYS A 128 9.363 -6.162 -40.699 1.00 24.71 C +ATOM 967 CG LYS A 128 9.317 -6.057 -42.207 1.00 26.58 C +ATOM 968 CD LYS A 128 10.169 -7.225 -42.741 1.00 28.89 C +ATOM 969 CE LYS A 128 10.576 -7.043 -44.180 1.00 33.46 C +ATOM 970 NZ LYS A 128 9.417 -7.102 -45.110 1.00 32.83 N +ATOM 971 N GLU A 129 6.448 -6.531 -39.755 1.00 25.74 N +ATOM 972 CA GLU A 129 5.039 -6.839 -39.980 1.00 26.02 C +ATOM 973 C GLU A 129 4.090 -5.820 -39.322 1.00 25.49 C +ATOM 974 O GLU A 129 3.061 -5.438 -39.913 1.00 26.51 O +ATOM 975 CB GLU A 129 4.732 -8.258 -39.514 1.00 26.25 C +ATOM 976 CG GLU A 129 5.348 -9.309 -40.428 1.00 28.84 C +ATOM 977 CD GLU A 129 5.241 -10.700 -39.869 1.00 34.12 C +ATOM 978 OE1 GLU A 129 4.692 -10.857 -38.761 1.00 36.68 O +ATOM 979 OE2 GLU A 129 5.730 -11.624 -40.544 1.00 35.44 O +ATOM 980 N ILE A 130 4.454 -5.363 -38.120 1.00 25.07 N +ATOM 981 CA ILE A 130 3.689 -4.330 -37.397 1.00 24.68 C +ATOM 982 C ILE A 130 3.585 -3.054 -38.266 1.00 25.06 C +ATOM 983 O ILE A 130 2.483 -2.517 -38.486 1.00 25.00 O +ATOM 984 CB ILE A 130 4.312 -4.030 -36.001 1.00 24.74 C +ATOM 985 CG1 ILE A 130 3.976 -5.160 -35.019 1.00 25.20 C +ATOM 986 CG2 ILE A 130 3.730 -2.744 -35.403 1.00 24.67 C +ATOM 987 CD1 ILE A 130 4.901 -5.214 -33.784 1.00 24.81 C +ATOM 988 N ALA A 131 4.732 -2.619 -38.782 1.00 24.70 N +ATOM 989 CA ALA A 131 4.799 -1.463 -39.682 1.00 24.68 C +ATOM 990 C ALA A 131 4.036 -1.686 -40.999 1.00 24.71 C +ATOM 991 O ALA A 131 3.322 -0.786 -41.456 1.00 24.33 O +ATOM 992 CB ALA A 131 6.265 -1.093 -39.951 1.00 25.50 C +ATOM 993 N GLU A 132 4.149 -2.888 -41.581 1.00 24.93 N +ATOM 994 CA GLU A 132 3.450 -3.198 -42.846 1.00 25.38 C +ATOM 995 C GLU A 132 1.916 -3.177 -42.704 1.00 25.66 C +ATOM 996 O GLU A 132 1.202 -2.674 -43.592 1.00 24.66 O +ATOM 997 CB GLU A 132 3.939 -4.527 -43.423 1.00 25.78 C +ATOM 998 CG GLU A 132 5.399 -4.466 -43.904 1.00 26.63 C +ATOM 999 CD GLU A 132 5.968 -5.809 -44.371 1.00 31.41 C +ATOM 1000 OE1 GLU A 132 5.472 -6.884 -43.962 1.00 32.21 O +ATOM 1001 OE2 GLU A 132 6.955 -5.786 -45.135 1.00 31.66 O +ATOM 1002 N ALA A 133 1.421 -3.725 -41.589 1.00 25.72 N +ATOM 1003 CA ALA A 133 -0.013 -3.638 -41.227 1.00 26.30 C +ATOM 1004 C ALA A 133 -0.529 -2.202 -41.245 1.00 26.39 C +ATOM 1005 O ALA A 133 -1.609 -1.919 -41.781 1.00 26.48 O +ATOM 1006 CB ALA A 133 -0.245 -4.243 -39.837 1.00 26.58 C +ATOM 1007 N TYR A 134 0.234 -1.315 -40.617 1.00 26.45 N +ATOM 1008 CA TYR A 134 -0.108 0.100 -40.509 1.00 26.67 C +ATOM 1009 C TYR A 134 -0.023 0.828 -41.859 1.00 26.75 C +ATOM 1010 O TYR A 134 -0.904 1.620 -42.216 1.00 26.89 O +ATOM 1011 CB TYR A 134 0.819 0.777 -39.478 1.00 26.93 C +ATOM 1012 CG TYR A 134 0.603 2.270 -39.367 1.00 27.14 C +ATOM 1013 CD1 TYR A 134 -0.514 2.781 -38.708 1.00 28.71 C +ATOM 1014 CD2 TYR A 134 1.504 3.171 -39.936 1.00 27.45 C +ATOM 1015 CE1 TYR A 134 -0.730 4.153 -38.616 1.00 28.88 C +ATOM 1016 CE2 TYR A 134 1.297 4.553 -39.852 1.00 29.15 C +ATOM 1017 CZ TYR A 134 0.179 5.031 -39.190 1.00 28.82 C +ATOM 1018 OH TYR A 134 -0.041 6.380 -39.089 1.00 29.29 O +ATOM 1019 N LEU A 135 1.028 0.537 -42.618 1.00 26.72 N +ATOM 1020 CA LEU A 135 1.290 1.243 -43.874 1.00 26.72 C +ATOM 1021 C LEU A 135 0.499 0.699 -45.059 1.00 27.45 C +ATOM 1022 O LEU A 135 0.296 1.403 -46.062 1.00 27.53 O +ATOM 1023 CB LEU A 135 2.803 1.220 -44.167 1.00 26.64 C +ATOM 1024 CG LEU A 135 3.710 1.947 -43.163 1.00 25.36 C +ATOM 1025 CD1 LEU A 135 5.167 1.623 -43.412 1.00 25.82 C +ATOM 1026 CD2 LEU A 135 3.509 3.482 -43.238 1.00 26.20 C +ATOM 1027 N GLY A 136 0.054 -0.553 -44.938 1.00 27.68 N +ATOM 1028 CA GLY A 136 -0.601 -1.262 -46.032 1.00 28.88 C +ATOM 1029 C GLY A 136 0.316 -1.472 -47.222 1.00 29.57 C +ATOM 1030 O GLY A 136 -0.142 -1.546 -48.362 1.00 29.88 O +ATOM 1031 N LYS A 137 1.617 -1.562 -46.957 1.00 30.35 N +ATOM 1032 CA LYS A 137 2.596 -1.843 -47.995 1.00 30.69 C +ATOM 1033 C LYS A 137 3.831 -2.468 -47.370 1.00 30.54 C +ATOM 1034 O LYS A 137 4.023 -2.385 -46.159 1.00 29.97 O +ATOM 1035 CB LYS A 137 2.958 -0.578 -48.776 1.00 31.80 C +ATOM 1036 CG LYS A 137 3.658 0.502 -47.975 1.00 33.03 C +ATOM 1037 CD LYS A 137 3.878 1.757 -48.823 1.00 37.44 C +ATOM 1038 CE LYS A 137 2.817 2.812 -48.564 1.00 39.88 C +ATOM 1039 NZ LYS A 137 2.949 4.005 -49.460 1.00 41.02 N +ATOM 1040 N THR A 138 4.651 -3.099 -48.204 1.00 30.14 N +ATOM 1041 CA THR A 138 5.852 -3.766 -47.715 1.00 29.86 C +ATOM 1042 C THR A 138 6.891 -2.752 -47.228 1.00 28.90 C +ATOM 1043 O THR A 138 7.002 -1.628 -47.743 1.00 29.03 O +ATOM 1044 CB THR A 138 6.490 -4.677 -48.783 1.00 29.98 C +ATOM 1045 OG1 THR A 138 6.870 -3.884 -49.906 1.00 31.90 O +ATOM 1046 CG2 THR A 138 5.492 -5.735 -49.251 1.00 31.36 C +ATOM 1047 N VAL A 139 7.631 -3.178 -46.220 1.00 27.35 N +ATOM 1048 CA VAL A 139 8.694 -2.395 -45.633 1.00 27.59 C +ATOM 1049 C VAL A 139 9.996 -3.129 -45.900 1.00 28.01 C +ATOM 1050 O VAL A 139 10.112 -4.310 -45.585 1.00 28.27 O +ATOM 1051 CB VAL A 139 8.463 -2.234 -44.106 1.00 27.44 C +ATOM 1052 CG1 VAL A 139 9.710 -1.669 -43.394 1.00 28.85 C +ATOM 1053 CG2 VAL A 139 7.206 -1.365 -43.855 1.00 27.72 C +ATOM 1054 N THR A 140 10.974 -2.433 -46.467 1.00 27.93 N +ATOM 1055 CA THR A 140 12.267 -3.075 -46.694 1.00 28.18 C +ATOM 1056 C THR A 140 13.386 -2.330 -45.985 1.00 28.05 C +ATOM 1057 O THR A 140 14.197 -2.941 -45.290 1.00 28.96 O +ATOM 1058 CB THR A 140 12.560 -3.286 -48.200 1.00 28.92 C +ATOM 1059 OG1 THR A 140 11.536 -4.110 -48.764 1.00 29.23 O +ATOM 1060 CG2 THR A 140 13.911 -3.991 -48.415 1.00 28.94 C +ATOM 1061 N ASN A 141 13.401 -1.007 -46.138 1.00 26.06 N +ATOM 1062 CA ASN A 141 14.460 -0.183 -45.564 1.00 25.39 C +ATOM 1063 C ASN A 141 14.231 0.203 -44.108 1.00 24.75 C +ATOM 1064 O ASN A 141 13.126 0.600 -43.721 1.00 24.60 O +ATOM 1065 CB ASN A 141 14.667 1.067 -46.428 1.00 25.85 C +ATOM 1066 CG ASN A 141 15.118 0.722 -47.839 1.00 27.89 C +ATOM 1067 OD1 ASN A 141 16.045 -0.062 -48.019 1.00 30.79 O +ATOM 1068 ND2 ASN A 141 14.480 1.315 -48.838 1.00 31.67 N +ATOM 1069 N ALA A 142 15.274 0.100 -43.297 1.00 24.07 N +ATOM 1070 CA ALA A 142 15.173 0.475 -41.882 1.00 24.00 C +ATOM 1071 C ALA A 142 16.472 1.029 -41.305 1.00 24.65 C +ATOM 1072 O ALA A 142 17.564 0.647 -41.747 1.00 25.18 O +ATOM 1073 CB ALA A 142 14.717 -0.738 -41.044 1.00 24.47 C +ATOM 1074 N VAL A 143 16.340 1.925 -40.323 1.00 23.33 N +ATOM 1075 CA VAL A 143 17.429 2.239 -39.385 1.00 24.24 C +ATOM 1076 C VAL A 143 17.188 1.418 -38.111 1.00 25.51 C +ATOM 1077 O VAL A 143 16.086 1.408 -37.578 1.00 26.06 O +ATOM 1078 CB VAL A 143 17.511 3.783 -39.069 1.00 24.79 C +ATOM 1079 CG1 VAL A 143 18.424 4.066 -37.857 1.00 25.26 C +ATOM 1080 CG2 VAL A 143 17.997 4.539 -40.285 1.00 24.46 C +ATOM 1081 N VAL A 144 18.212 0.709 -37.644 1.00 25.80 N +ATOM 1082 CA VAL A 144 18.121 -0.077 -36.419 1.00 25.42 C +ATOM 1083 C VAL A 144 19.137 0.488 -35.429 1.00 25.51 C +ATOM 1084 O VAL A 144 20.266 0.803 -35.800 1.00 25.62 O +ATOM 1085 CB VAL A 144 18.403 -1.584 -36.689 1.00 25.92 C +ATOM 1086 CG1 VAL A 144 18.206 -2.416 -35.407 1.00 25.67 C +ATOM 1087 CG2 VAL A 144 17.496 -2.103 -37.799 1.00 27.34 C +ATOM 1088 N THR A 145 18.711 0.617 -34.182 1.00 24.78 N +ATOM 1089 CA THR A 145 19.525 1.175 -33.089 1.00 25.28 C +ATOM 1090 C THR A 145 20.224 0.115 -32.244 1.00 25.93 C +ATOM 1091 O THR A 145 19.773 -1.045 -32.199 1.00 25.75 O +ATOM 1092 CB THR A 145 18.680 2.087 -32.161 1.00 26.74 C +ATOM 1093 OG1 THR A 145 17.583 1.349 -31.611 1.00 26.27 O +ATOM 1094 CG2 THR A 145 18.140 3.300 -32.932 1.00 26.97 C +ATOM 1095 N VAL A 146 21.332 0.512 -31.603 1.00 25.79 N +ATOM 1096 CA VAL A 146 22.105 -0.348 -30.679 1.00 26.00 C +ATOM 1097 C VAL A 146 22.654 0.498 -29.522 1.00 25.92 C +ATOM 1098 O VAL A 146 22.724 1.725 -29.656 1.00 26.11 O +ATOM 1099 CB VAL A 146 23.324 -0.987 -31.393 1.00 25.99 C +ATOM 1100 CG1 VAL A 146 22.879 -2.061 -32.416 1.00 27.80 C +ATOM 1101 CG2 VAL A 146 24.231 0.062 -32.031 1.00 27.83 C +ATOM 1102 N PRO A 147 23.080 -0.139 -28.413 1.00 25.57 N +ATOM 1103 CA PRO A 147 23.745 0.617 -27.355 1.00 25.65 C +ATOM 1104 C PRO A 147 25.041 1.284 -27.821 1.00 24.95 C +ATOM 1105 O PRO A 147 25.758 0.774 -28.688 1.00 25.57 O +ATOM 1106 CB PRO A 147 24.039 -0.452 -26.283 1.00 25.89 C +ATOM 1107 CG PRO A 147 23.008 -1.532 -26.542 1.00 26.86 C +ATOM 1108 CD PRO A 147 22.937 -1.564 -28.046 1.00 25.09 C +ATOM 1109 N ALA A 148 25.330 2.450 -27.245 1.00 24.59 N +ATOM 1110 CA ALA A 148 26.521 3.207 -27.624 1.00 24.36 C +ATOM 1111 C ALA A 148 27.824 2.423 -27.439 1.00 25.24 C +ATOM 1112 O ALA A 148 28.786 2.629 -28.179 1.00 26.11 O +ATOM 1113 CB ALA A 148 26.586 4.524 -26.798 1.00 24.98 C +ATOM 1114 N TYR A 149 27.829 1.515 -26.463 1.00 24.70 N +ATOM 1115 CA TYR A 149 29.016 0.744 -26.120 1.00 25.55 C +ATOM 1116 C TYR A 149 29.168 -0.530 -26.996 1.00 25.23 C +ATOM 1117 O TYR A 149 30.177 -1.257 -26.876 1.00 26.65 O +ATOM 1118 CB TYR A 149 28.967 0.368 -24.630 1.00 24.98 C +ATOM 1119 CG TYR A 149 27.751 -0.467 -24.251 1.00 25.42 C +ATOM 1120 CD1 TYR A 149 27.689 -1.835 -24.545 1.00 25.64 C +ATOM 1121 CD2 TYR A 149 26.660 0.117 -23.595 1.00 26.18 C +ATOM 1122 CE1 TYR A 149 26.567 -2.600 -24.206 1.00 28.07 C +ATOM 1123 CE2 TYR A 149 25.533 -0.640 -23.237 1.00 26.41 C +ATOM 1124 CZ TYR A 149 25.497 -2.001 -23.545 1.00 27.00 C +ATOM 1125 OH TYR A 149 24.390 -2.743 -23.193 1.00 25.63 O +ATOM 1126 N PHE A 150 28.212 -0.805 -27.884 1.00 25.58 N +ATOM 1127 CA PHE A 150 28.344 -1.982 -28.795 1.00 24.94 C +ATOM 1128 C PHE A 150 29.598 -1.844 -29.659 1.00 24.81 C +ATOM 1129 O PHE A 150 29.941 -0.740 -30.118 1.00 25.18 O +ATOM 1130 CB PHE A 150 27.130 -2.129 -29.726 1.00 24.56 C +ATOM 1131 CG PHE A 150 26.119 -3.195 -29.302 1.00 25.33 C +ATOM 1132 CD1 PHE A 150 25.964 -3.574 -27.966 1.00 26.57 C +ATOM 1133 CD2 PHE A 150 25.268 -3.744 -30.261 1.00 26.21 C +ATOM 1134 CE1 PHE A 150 25.005 -4.553 -27.601 1.00 27.85 C +ATOM 1135 CE2 PHE A 150 24.288 -4.672 -29.909 1.00 28.33 C +ATOM 1136 CZ PHE A 150 24.172 -5.087 -28.581 1.00 27.72 C +ATOM 1137 N ASN A 151 30.306 -2.953 -29.845 1.00 24.78 N +ATOM 1138 CA ASN A 151 31.489 -3.010 -30.704 1.00 23.76 C +ATOM 1139 C ASN A 151 31.132 -3.434 -32.144 1.00 24.06 C +ATOM 1140 O ASN A 151 29.950 -3.665 -32.441 1.00 23.91 O +ATOM 1141 CB ASN A 151 32.529 -3.947 -30.076 1.00 24.99 C +ATOM 1142 CG ASN A 151 32.018 -5.356 -29.950 1.00 24.02 C +ATOM 1143 OD1 ASN A 151 31.302 -5.834 -30.829 1.00 25.07 O +ATOM 1144 ND2 ASN A 151 32.390 -6.039 -28.872 1.00 24.53 N +ATOM 1145 N ASP A 152 32.135 -3.516 -33.024 1.00 24.13 N +ATOM 1146 CA ASP A 152 31.881 -3.799 -34.447 1.00 24.43 C +ATOM 1147 C ASP A 152 31.225 -5.176 -34.627 1.00 24.19 C +ATOM 1148 O ASP A 152 30.357 -5.365 -35.487 1.00 23.81 O +ATOM 1149 CB ASP A 152 33.179 -3.712 -35.261 1.00 24.71 C +ATOM 1150 CG ASP A 152 33.630 -2.266 -35.507 1.00 26.59 C +ATOM 1151 OD1 ASP A 152 32.814 -1.324 -35.334 1.00 28.57 O +ATOM 1152 OD2 ASP A 152 34.798 -2.102 -35.891 1.00 30.73 O +ATOM 1153 N SER A 153 31.660 -6.143 -33.823 1.00 24.06 N +ATOM 1154 CA SER A 153 31.076 -7.497 -33.896 1.00 23.86 C +ATOM 1155 C SER A 153 29.564 -7.492 -33.601 1.00 24.27 C +ATOM 1156 O SER A 153 28.748 -8.110 -34.324 1.00 24.21 O +ATOM 1157 CB SER A 153 31.847 -8.436 -32.944 1.00 23.41 C +ATOM 1158 OG SER A 153 33.235 -8.506 -33.287 1.00 25.42 O +ATOM 1159 N GLN A 154 29.191 -6.767 -32.549 1.00 23.91 N +ATOM 1160 CA GLN A 154 27.801 -6.666 -32.119 1.00 24.80 C +ATOM 1161 C GLN A 154 27.006 -5.843 -33.129 1.00 25.57 C +ATOM 1162 O GLN A 154 25.860 -6.184 -33.427 1.00 25.97 O +ATOM 1163 CB GLN A 154 27.716 -6.059 -30.727 1.00 24.89 C +ATOM 1164 CG GLN A 154 28.317 -6.941 -29.622 1.00 25.02 C +ATOM 1165 CD GLN A 154 28.397 -6.215 -28.294 1.00 24.84 C +ATOM 1166 OE1 GLN A 154 27.748 -6.605 -27.300 1.00 29.17 O +ATOM 1167 NE2 GLN A 154 29.172 -5.153 -28.261 1.00 24.28 N +ATOM 1168 N ARG A 155 27.585 -4.742 -33.631 1.00 25.20 N +ATOM 1169 CA ARG A 155 26.913 -3.994 -34.708 1.00 25.15 C +ATOM 1170 C ARG A 155 26.664 -4.804 -35.990 1.00 25.34 C +ATOM 1171 O ARG A 155 25.546 -4.757 -36.549 1.00 25.84 O +ATOM 1172 CB ARG A 155 27.671 -2.694 -35.032 1.00 25.17 C +ATOM 1173 CG ARG A 155 27.717 -1.789 -33.844 1.00 24.48 C +ATOM 1174 CD ARG A 155 28.663 -0.570 -34.051 1.00 24.51 C +ATOM 1175 NE ARG A 155 28.798 0.058 -32.751 1.00 25.66 N +ATOM 1176 CZ ARG A 155 28.026 1.049 -32.295 1.00 27.48 C +ATOM 1177 NH1 ARG A 155 27.089 1.606 -33.080 1.00 26.59 N +ATOM 1178 NH2 ARG A 155 28.192 1.469 -31.044 1.00 27.10 N +ATOM 1179 N GLN A 156 27.678 -5.547 -36.445 1.00 24.89 N +ATOM 1180 CA GLN A 156 27.564 -6.343 -37.666 1.00 25.37 C +ATOM 1181 C GLN A 156 26.523 -7.477 -37.463 1.00 24.95 C +ATOM 1182 O GLN A 156 25.724 -7.753 -38.359 1.00 24.39 O +ATOM 1183 CB GLN A 156 28.914 -6.962 -38.064 1.00 24.97 C +ATOM 1184 CG GLN A 156 28.863 -7.751 -39.391 1.00 28.16 C +ATOM 1185 CD GLN A 156 28.438 -6.884 -40.581 1.00 32.03 C +ATOM 1186 OE1 GLN A 156 29.108 -5.908 -40.914 1.00 34.05 O +ATOM 1187 NE2 GLN A 156 27.324 -7.247 -41.225 1.00 31.48 N +ATOM 1188 N ALA A 157 26.512 -8.080 -36.272 1.00 25.57 N +ATOM 1189 CA ALA A 157 25.546 -9.151 -35.968 1.00 25.56 C +ATOM 1190 C ALA A 157 24.107 -8.627 -35.980 1.00 25.69 C +ATOM 1191 O ALA A 157 23.182 -9.314 -36.397 1.00 24.98 O +ATOM 1192 CB ALA A 157 25.861 -9.792 -34.623 1.00 25.95 C +ATOM 1193 N THR A 158 23.941 -7.398 -35.505 1.00 25.07 N +ATOM 1194 CA THR A 158 22.637 -6.713 -35.502 1.00 25.82 C +ATOM 1195 C THR A 158 22.197 -6.415 -36.939 1.00 24.87 C +ATOM 1196 O THR A 158 21.021 -6.638 -37.297 1.00 25.28 O +ATOM 1197 CB THR A 158 22.692 -5.447 -34.611 1.00 25.54 C +ATOM 1198 OG1 THR A 158 22.966 -5.839 -33.259 1.00 25.92 O +ATOM 1199 CG2 THR A 158 21.333 -4.703 -34.612 1.00 25.47 C +ATOM 1200 N LYS A 159 23.131 -5.964 -37.772 1.00 25.14 N +ATOM 1201 CA LYS A 159 22.835 -5.725 -39.183 1.00 25.19 C +ATOM 1202 C LYS A 159 22.403 -7.024 -39.841 1.00 26.42 C +ATOM 1203 O LYS A 159 21.441 -7.059 -40.612 1.00 25.68 O +ATOM 1204 CB LYS A 159 24.035 -5.162 -39.936 1.00 26.43 C +ATOM 1205 CG LYS A 159 23.667 -4.817 -41.386 1.00 28.85 C +ATOM 1206 CD LYS A 159 24.790 -4.191 -42.147 1.00 35.97 C +ATOM 1207 CE LYS A 159 24.380 -4.108 -43.613 1.00 38.37 C +ATOM 1208 NZ LYS A 159 25.553 -4.183 -44.507 1.00 41.95 N +ATOM 1209 N ASP A 160 23.143 -8.086 -39.525 1.00 25.33 N +ATOM 1210 CA ASP A 160 22.877 -9.412 -40.093 1.00 26.44 C +ATOM 1211 C ASP A 160 21.471 -9.910 -39.723 1.00 25.73 C +ATOM 1212 O ASP A 160 20.781 -10.519 -40.564 1.00 26.13 O +ATOM 1213 CB ASP A 160 23.941 -10.410 -39.622 1.00 25.98 C +ATOM 1214 CG ASP A 160 25.314 -10.162 -40.247 1.00 28.28 C +ATOM 1215 OD1 ASP A 160 25.452 -9.341 -41.198 1.00 28.75 O +ATOM 1216 OD2 ASP A 160 26.283 -10.810 -39.782 1.00 30.31 O +ATOM 1217 N ALA A 161 21.058 -9.650 -38.482 1.00 25.35 N +ATOM 1218 CA ALA A 161 19.683 -9.901 -38.011 1.00 25.26 C +ATOM 1219 C ALA A 161 18.666 -9.200 -38.908 1.00 25.66 C +ATOM 1220 O ALA A 161 17.664 -9.799 -39.316 1.00 25.05 O +ATOM 1221 CB ALA A 161 19.512 -9.442 -36.563 1.00 24.80 C +ATOM 1222 N GLY A 162 18.939 -7.936 -39.233 1.00 24.84 N +ATOM 1223 CA GLY A 162 18.100 -7.210 -40.188 1.00 24.15 C +ATOM 1224 C GLY A 162 18.021 -7.900 -41.547 1.00 24.07 C +ATOM 1225 O GLY A 162 16.930 -8.074 -42.097 1.00 23.61 O +ATOM 1226 N THR A 163 19.168 -8.306 -42.090 1.00 22.89 N +ATOM 1227 CA THR A 163 19.208 -8.923 -43.415 1.00 24.05 C +ATOM 1228 C THR A 163 18.378 -10.211 -43.412 1.00 23.52 C +ATOM 1229 O THR A 163 17.648 -10.496 -44.357 1.00 24.24 O +ATOM 1230 CB THR A 163 20.663 -9.258 -43.861 1.00 24.09 C +ATOM 1231 OG1 THR A 163 21.438 -8.040 -43.847 1.00 25.40 O +ATOM 1232 CG2 THR A 163 20.667 -9.867 -45.268 1.00 24.46 C +ATOM 1233 N ILE A 164 18.472 -10.953 -42.315 1.00 24.01 N +ATOM 1234 CA ILE A 164 17.756 -12.239 -42.193 1.00 23.96 C +ATOM 1235 C ILE A 164 16.235 -12.013 -42.078 1.00 24.62 C +ATOM 1236 O ILE A 164 15.422 -12.892 -42.426 1.00 24.64 O +ATOM 1237 CB ILE A 164 18.307 -13.070 -40.991 1.00 24.58 C +ATOM 1238 CG1 ILE A 164 19.776 -13.415 -41.252 1.00 24.50 C +ATOM 1239 CG2 ILE A 164 17.443 -14.345 -40.749 1.00 25.60 C +ATOM 1240 CD1 ILE A 164 20.565 -13.843 -40.030 1.00 26.32 C +ATOM 1241 N ALA A 165 15.864 -10.830 -41.591 1.00 24.29 N +ATOM 1242 CA ALA A 165 14.461 -10.417 -41.477 1.00 24.46 C +ATOM 1243 C ALA A 165 13.954 -9.790 -42.796 1.00 25.13 C +ATOM 1244 O ALA A 165 12.803 -9.313 -42.867 1.00 25.95 O +ATOM 1245 CB ALA A 165 14.316 -9.439 -40.296 1.00 24.43 C +ATOM 1246 N GLY A 166 14.803 -9.805 -43.832 1.00 25.01 N +ATOM 1247 CA GLY A 166 14.441 -9.324 -45.166 1.00 25.60 C +ATOM 1248 C GLY A 166 14.451 -7.795 -45.225 1.00 25.43 C +ATOM 1249 O GLY A 166 13.790 -7.186 -46.073 1.00 26.42 O +ATOM 1250 N LEU A 167 15.218 -7.190 -44.324 1.00 25.58 N +ATOM 1251 CA LEU A 167 15.404 -5.734 -44.316 1.00 26.44 C +ATOM 1252 C LEU A 167 16.742 -5.321 -44.897 1.00 27.48 C +ATOM 1253 O LEU A 167 17.725 -6.069 -44.801 1.00 27.85 O +ATOM 1254 CB LEU A 167 15.295 -5.181 -42.898 1.00 26.23 C +ATOM 1255 CG LEU A 167 13.999 -5.398 -42.102 1.00 27.01 C +ATOM 1256 CD1 LEU A 167 14.262 -5.107 -40.629 1.00 27.61 C +ATOM 1257 CD2 LEU A 167 12.872 -4.541 -42.643 1.00 29.09 C +ATOM 1258 N ASN A 168 16.752 -4.130 -45.510 1.00 27.63 N +ATOM 1259 CA ASN A 168 17.957 -3.435 -45.919 1.00 28.19 C +ATOM 1260 C ASN A 168 18.266 -2.385 -44.858 1.00 28.11 C +ATOM 1261 O ASN A 168 17.531 -1.401 -44.720 1.00 27.29 O +ATOM 1262 CB ASN A 168 17.707 -2.745 -47.251 1.00 28.86 C +ATOM 1263 CG ASN A 168 18.930 -2.072 -47.802 1.00 32.92 C +ATOM 1264 OD1 ASN A 168 18.890 -0.893 -48.188 1.00 37.08 O +ATOM 1265 ND2 ASN A 168 20.033 -2.810 -47.866 1.00 36.10 N +ATOM 1266 N VAL A 169 19.332 -2.603 -44.100 1.00 27.50 N +ATOM 1267 CA VAL A 169 19.646 -1.715 -42.977 1.00 27.79 C +ATOM 1268 C VAL A 169 20.430 -0.520 -43.499 1.00 27.44 C +ATOM 1269 O VAL A 169 21.599 -0.630 -43.919 1.00 27.41 O +ATOM 1270 CB VAL A 169 20.411 -2.449 -41.837 1.00 27.69 C +ATOM 1271 CG1 VAL A 169 20.819 -1.482 -40.728 1.00 27.73 C +ATOM 1272 CG2 VAL A 169 19.576 -3.601 -41.274 1.00 29.36 C +ATOM 1273 N LEU A 170 19.764 0.630 -43.484 1.00 26.66 N +ATOM 1274 CA LEU A 170 20.337 1.877 -43.991 1.00 26.75 C +ATOM 1275 C LEU A 170 21.503 2.345 -43.140 1.00 26.30 C +ATOM 1276 O LEU A 170 22.473 2.902 -43.659 1.00 26.87 O +ATOM 1277 CB LEU A 170 19.266 2.953 -44.032 1.00 27.60 C +ATOM 1278 CG LEU A 170 18.051 2.655 -44.920 1.00 28.14 C +ATOM 1279 CD1 LEU A 170 17.138 3.883 -44.989 1.00 30.73 C +ATOM 1280 CD2 LEU A 170 18.470 2.223 -46.333 1.00 30.83 C +ATOM 1281 N CYS A 171 21.384 2.115 -41.833 1.00 26.14 N +ATOM 1282 CA CYS A 171 22.409 2.468 -40.855 1.00 25.83 C +ATOM 1283 C CYS A 171 22.086 1.868 -39.497 1.00 25.98 C +ATOM 1284 O CYS A 171 20.907 1.736 -39.122 1.00 25.64 O +ATOM 1285 CB CYS A 171 22.536 3.998 -40.709 1.00 25.92 C +ATOM 1286 SG CYS A 171 24.158 4.518 -40.070 1.00 28.25 S +ATOM 1287 N ILE A 172 23.149 1.512 -38.770 1.00 25.67 N +ATOM 1288 CA ILE A 172 23.085 1.183 -37.345 1.00 25.76 C +ATOM 1289 C ILE A 172 23.525 2.436 -36.572 1.00 25.13 C +ATOM 1290 O ILE A 172 24.679 2.871 -36.709 1.00 25.16 O +ATOM 1291 CB ILE A 172 24.036 -0.001 -36.973 1.00 26.46 C +ATOM 1292 CG1 ILE A 172 23.637 -1.278 -37.720 1.00 27.43 C +ATOM 1293 CG2 ILE A 172 24.049 -0.237 -35.461 1.00 27.46 C +ATOM 1294 CD1 ILE A 172 22.290 -1.893 -37.299 1.00 29.94 C +ATOM 1295 N ILE A 173 22.617 2.981 -35.767 1.00 25.57 N +ATOM 1296 CA ILE A 173 22.932 4.163 -34.964 1.00 25.96 C +ATOM 1297 C ILE A 173 22.769 3.885 -33.453 1.00 26.54 C +ATOM 1298 O ILE A 173 22.108 2.913 -33.030 1.00 26.17 O +ATOM 1299 CB ILE A 173 22.105 5.416 -35.413 1.00 26.04 C +ATOM 1300 CG1 ILE A 173 20.644 5.296 -34.960 1.00 27.10 C +ATOM 1301 CG2 ILE A 173 22.169 5.605 -36.953 1.00 26.56 C +ATOM 1302 CD1 ILE A 173 19.821 6.557 -35.220 1.00 26.92 C +ATOM 1303 N ASN A 174 23.361 4.749 -32.643 1.00 25.70 N +ATOM 1304 CA ASN A 174 23.337 4.566 -31.182 1.00 25.79 C +ATOM 1305 C ASN A 174 22.025 4.996 -30.548 1.00 25.73 C +ATOM 1306 O ASN A 174 21.443 6.025 -30.929 1.00 25.29 O +ATOM 1307 CB ASN A 174 24.487 5.313 -30.520 1.00 26.80 C +ATOM 1308 CG ASN A 174 25.840 4.752 -30.898 1.00 26.48 C +ATOM 1309 OD1 ASN A 174 25.989 3.547 -31.136 1.00 28.31 O +ATOM 1310 ND2 ASN A 174 26.839 5.614 -30.940 1.00 28.20 N +ATOM 1311 N GLU A 175 21.579 4.202 -29.570 1.00 24.72 N +ATOM 1312 CA GLU A 175 20.343 4.467 -28.816 1.00 25.16 C +ATOM 1313 C GLU A 175 20.285 5.882 -28.211 1.00 24.97 C +ATOM 1314 O GLU A 175 19.294 6.585 -28.442 1.00 25.87 O +ATOM 1315 CB GLU A 175 20.121 3.405 -27.740 1.00 25.44 C +ATOM 1316 CG GLU A 175 19.655 2.068 -28.380 1.00 26.72 C +ATOM 1317 CD GLU A 175 19.820 0.861 -27.476 1.00 27.74 C +ATOM 1318 OE1 GLU A 175 19.840 1.018 -26.226 1.00 26.01 O +ATOM 1319 OE2 GLU A 175 19.910 -0.270 -28.049 1.00 27.24 O +ATOM 1320 N PRO A 176 21.316 6.294 -27.436 1.00 25.58 N +ATOM 1321 CA PRO A 176 21.238 7.671 -26.890 1.00 24.94 C +ATOM 1322 C PRO A 176 21.209 8.769 -27.968 1.00 25.41 C +ATOM 1323 O PRO A 176 20.498 9.761 -27.808 1.00 25.14 O +ATOM 1324 CB PRO A 176 22.492 7.770 -25.994 1.00 25.74 C +ATOM 1325 CG PRO A 176 23.444 6.729 -26.559 1.00 26.60 C +ATOM 1326 CD PRO A 176 22.536 5.602 -26.956 1.00 25.86 C +ATOM 1327 N THR A 177 21.959 8.586 -29.045 1.00 24.78 N +ATOM 1328 CA THR A 177 21.965 9.502 -30.190 1.00 25.23 C +ATOM 1329 C THR A 177 20.567 9.541 -30.837 1.00 25.05 C +ATOM 1330 O THR A 177 20.044 10.600 -31.105 1.00 24.36 O +ATOM 1331 CB THR A 177 23.061 9.091 -31.177 1.00 25.18 C +ATOM 1332 OG1 THR A 177 24.313 9.065 -30.474 1.00 26.12 O +ATOM 1333 CG2 THR A 177 23.146 10.027 -32.374 1.00 27.61 C +ATOM 1334 N ALA A 178 19.958 8.376 -31.077 1.00 23.96 N +ATOM 1335 CA ALA A 178 18.566 8.357 -31.562 1.00 23.72 C +ATOM 1336 C ALA A 178 17.609 9.215 -30.698 1.00 23.74 C +ATOM 1337 O ALA A 178 16.822 10.007 -31.233 1.00 24.30 O +ATOM 1338 CB ALA A 178 18.069 6.932 -31.634 1.00 24.07 C +ATOM 1339 N ALA A 179 17.708 9.094 -29.370 1.00 23.11 N +ATOM 1340 CA ALA A 179 16.836 9.859 -28.462 1.00 22.58 C +ATOM 1341 C ALA A 179 17.061 11.371 -28.605 1.00 22.48 C +ATOM 1342 O ALA A 179 16.110 12.129 -28.556 1.00 22.37 O +ATOM 1343 CB ALA A 179 17.082 9.446 -27.043 1.00 23.16 C +ATOM 1344 N ALA A 180 18.315 11.772 -28.786 1.00 23.09 N +ATOM 1345 CA ALA A 180 18.663 13.193 -28.985 1.00 22.52 C +ATOM 1346 C ALA A 180 18.053 13.707 -30.296 1.00 22.93 C +ATOM 1347 O ALA A 180 17.478 14.810 -30.338 1.00 22.60 O +ATOM 1348 CB ALA A 180 20.173 13.389 -28.977 1.00 22.05 C +ATOM 1349 N ILE A 181 18.170 12.908 -31.357 1.00 23.13 N +ATOM 1350 CA ILE A 181 17.563 13.181 -32.671 1.00 23.64 C +ATOM 1351 C ILE A 181 16.024 13.346 -32.558 1.00 23.13 C +ATOM 1352 O ILE A 181 15.432 14.269 -33.155 1.00 23.61 O +ATOM 1353 CB ILE A 181 17.982 12.070 -33.710 1.00 22.58 C +ATOM 1354 CG1 ILE A 181 19.476 12.205 -34.069 1.00 23.96 C +ATOM 1355 CG2 ILE A 181 17.105 12.095 -34.986 1.00 22.36 C +ATOM 1356 CD1 ILE A 181 20.043 10.985 -34.795 1.00 27.26 C +ATOM 1357 N ALA A 182 15.390 12.524 -31.719 1.00 23.29 N +ATOM 1358 CA ALA A 182 13.935 12.574 -31.521 1.00 23.11 C +ATOM 1359 C ALA A 182 13.513 13.961 -31.035 1.00 23.67 C +ATOM 1360 O ALA A 182 12.454 14.464 -31.417 1.00 23.15 O +ATOM 1361 CB ALA A 182 13.496 11.523 -30.515 1.00 24.32 C +ATOM 1362 N TYR A 183 14.348 14.544 -30.176 1.00 23.81 N +ATOM 1363 CA TYR A 183 14.069 15.847 -29.582 1.00 23.51 C +ATOM 1364 C TYR A 183 14.613 16.992 -30.428 1.00 23.68 C +ATOM 1365 O TYR A 183 14.519 18.159 -30.028 1.00 24.13 O +ATOM 1366 CB TYR A 183 14.608 15.920 -28.145 1.00 24.32 C +ATOM 1367 CG TYR A 183 13.703 15.246 -27.124 1.00 24.74 C +ATOM 1368 CD1 TYR A 183 12.631 15.930 -26.559 1.00 26.73 C +ATOM 1369 CD2 TYR A 183 13.913 13.909 -26.735 1.00 21.88 C +ATOM 1370 CE1 TYR A 183 11.790 15.336 -25.633 1.00 26.08 C +ATOM 1371 CE2 TYR A 183 13.066 13.299 -25.792 1.00 23.85 C +ATOM 1372 CZ TYR A 183 12.002 14.017 -25.257 1.00 26.10 C +ATOM 1373 OH TYR A 183 11.142 13.465 -24.333 1.00 26.16 O +ATOM 1374 N GLY A 184 15.166 16.675 -31.596 1.00 23.23 N +ATOM 1375 CA GLY A 184 15.671 17.715 -32.516 1.00 24.19 C +ATOM 1376 C GLY A 184 16.887 18.448 -31.970 1.00 24.40 C +ATOM 1377 O GLY A 184 17.160 19.582 -32.362 1.00 24.48 O +ATOM 1378 N LEU A 185 17.652 17.784 -31.102 1.00 24.74 N +ATOM 1379 CA LEU A 185 18.788 18.430 -30.435 1.00 25.80 C +ATOM 1380 C LEU A 185 19.948 18.659 -31.401 1.00 26.29 C +ATOM 1381 O LEU A 185 20.736 19.581 -31.207 1.00 26.68 O +ATOM 1382 CB LEU A 185 19.241 17.649 -29.182 1.00 25.40 C +ATOM 1383 CG LEU A 185 18.221 17.508 -28.041 1.00 26.37 C +ATOM 1384 CD1 LEU A 185 18.835 16.777 -26.858 1.00 26.32 C +ATOM 1385 CD2 LEU A 185 17.669 18.859 -27.583 1.00 27.48 C +ATOM 1386 N ASP A 186 20.025 17.838 -32.454 1.00 26.22 N +ATOM 1387 CA ASP A 186 21.051 18.004 -33.490 1.00 27.12 C +ATOM 1388 C ASP A 186 20.733 19.072 -34.544 1.00 27.81 C +ATOM 1389 O ASP A 186 21.491 19.230 -35.508 1.00 27.51 O +ATOM 1390 CB ASP A 186 21.401 16.661 -34.158 1.00 27.22 C +ATOM 1391 CG ASP A 186 20.204 15.988 -34.825 1.00 27.77 C +ATOM 1392 OD1 ASP A 186 19.045 16.209 -34.420 1.00 26.32 O +ATOM 1393 OD2 ASP A 186 20.435 15.192 -35.763 1.00 28.58 O +ATOM 1394 N LYS A 187 19.628 19.804 -34.346 1.00 28.25 N +ATOM 1395 CA LYS A 187 19.189 20.869 -35.254 1.00 29.68 C +ATOM 1396 C LYS A 187 19.644 22.232 -34.759 1.00 29.78 C +ATOM 1397 O LYS A 187 19.517 23.239 -35.466 1.00 29.81 O +ATOM 1398 CB LYS A 187 17.662 20.859 -35.395 1.00 30.00 C +ATOM 1399 CG LYS A 187 17.135 19.684 -36.186 1.00 31.45 C +ATOM 1400 CD LYS A 187 15.617 19.614 -36.131 1.00 36.04 C +ATOM 1401 CE LYS A 187 15.046 19.048 -37.421 1.00 38.21 C +ATOM 1402 NZ LYS A 187 15.396 19.895 -38.616 1.00 39.94 N +ATOM 1403 N LYS A 188 20.177 22.262 -33.543 1.00 30.05 N +ATOM 1404 CA LYS A 188 20.676 23.508 -32.959 1.00 30.49 C +ATOM 1405 C LYS A 188 22.016 23.916 -33.564 1.00 30.53 C +ATOM 1406 O LYS A 188 22.770 23.073 -34.058 1.00 30.92 O +ATOM 1407 CB LYS A 188 20.751 23.387 -31.435 1.00 30.76 C +ATOM 1408 CG LYS A 188 19.370 23.441 -30.776 1.00 32.26 C +ATOM 1409 CD LYS A 188 19.368 22.878 -29.360 1.00 34.02 C +ATOM 1410 CE LYS A 188 17.969 23.016 -28.746 1.00 34.57 C +ATOM 1411 NZ LYS A 188 17.899 22.524 -27.339 1.00 36.81 N +ATOM 1412 N VAL A 189 22.294 25.220 -33.517 1.00 30.14 N +ATOM 1413 CA VAL A 189 23.473 25.819 -34.153 1.00 29.99 C +ATOM 1414 C VAL A 189 24.247 26.680 -33.135 1.00 29.57 C +ATOM 1415 O VAL A 189 23.699 27.099 -32.108 1.00 29.25 O +ATOM 1416 CB VAL A 189 23.049 26.686 -35.388 1.00 30.20 C +ATOM 1417 CG1 VAL A 189 24.246 27.419 -36.025 1.00 30.62 C +ATOM 1418 CG2 VAL A 189 22.331 25.831 -36.431 1.00 30.31 C +ATOM 1419 N GLY A 190 25.524 26.923 -33.414 1.00 29.12 N +ATOM 1420 CA GLY A 190 26.337 27.792 -32.556 1.00 28.89 C +ATOM 1421 C GLY A 190 27.205 26.983 -31.601 1.00 28.61 C +ATOM 1422 O GLY A 190 27.658 25.886 -31.949 1.00 28.31 O +ATOM 1423 N ALA A 191 27.448 27.531 -30.398 1.00 28.07 N +ATOM 1424 CA ALA A 191 28.283 26.850 -29.395 1.00 28.21 C +ATOM 1425 C ALA A 191 27.842 25.400 -29.190 1.00 27.53 C +ATOM 1426 O ALA A 191 26.648 25.073 -29.248 1.00 28.20 O +ATOM 1427 CB ALA A 191 28.234 27.583 -28.074 1.00 28.03 C +ATOM 1428 N GLU A 192 28.807 24.526 -28.958 1.00 27.52 N +ATOM 1429 CA GLU A 192 28.512 23.118 -28.639 1.00 26.67 C +ATOM 1430 C GLU A 192 27.637 22.965 -27.383 1.00 26.27 C +ATOM 1431 O GLU A 192 27.716 23.779 -26.454 1.00 25.43 O +ATOM 1432 CB GLU A 192 29.807 22.300 -28.459 1.00 27.04 C +ATOM 1433 CG GLU A 192 30.646 22.700 -27.203 1.00 28.28 C +ATOM 1434 CD GLU A 192 31.760 21.706 -26.850 1.00 30.36 C +ATOM 1435 OE1 GLU A 192 32.083 21.583 -25.646 1.00 31.78 O +ATOM 1436 OE2 GLU A 192 32.313 21.054 -27.760 1.00 31.64 O +ATOM 1437 N ARG A 193 26.812 21.912 -27.350 1.00 25.34 N +ATOM 1438 CA ARG A 193 25.918 21.673 -26.212 1.00 25.53 C +ATOM 1439 C ARG A 193 26.131 20.254 -25.694 1.00 25.19 C +ATOM 1440 O ARG A 193 26.377 19.351 -26.481 1.00 25.13 O +ATOM 1441 CB ARG A 193 24.446 21.883 -26.607 1.00 25.81 C +ATOM 1442 CG ARG A 193 24.096 23.311 -27.057 1.00 27.97 C +ATOM 1443 CD ARG A 193 22.589 23.472 -27.292 1.00 31.08 C +ATOM 1444 NE ARG A 193 21.863 23.647 -26.034 1.00 32.59 N +ATOM 1445 CZ ARG A 193 21.711 24.817 -25.412 1.00 34.40 C +ATOM 1446 NH1 ARG A 193 22.225 25.926 -25.930 1.00 34.26 N +ATOM 1447 NH2 ARG A 193 21.041 24.882 -24.268 1.00 34.91 N +ATOM 1448 N ASN A 194 26.073 20.098 -24.371 1.00 25.11 N +ATOM 1449 CA ASN A 194 26.252 18.823 -23.680 1.00 24.49 C +ATOM 1450 C ASN A 194 24.901 18.234 -23.314 1.00 24.54 C +ATOM 1451 O ASN A 194 24.069 18.895 -22.701 1.00 24.64 O +ATOM 1452 CB ASN A 194 27.086 19.024 -22.406 1.00 24.76 C +ATOM 1453 CG ASN A 194 28.419 19.691 -22.674 1.00 24.47 C +ATOM 1454 OD1 ASN A 194 28.755 20.712 -22.054 1.00 24.74 O +ATOM 1455 ND2 ASN A 194 29.192 19.125 -23.593 1.00 22.54 N +ATOM 1456 N VAL A 195 24.679 16.978 -23.697 1.00 24.32 N +ATOM 1457 CA VAL A 195 23.392 16.333 -23.488 1.00 24.14 C +ATOM 1458 C VAL A 195 23.619 15.054 -22.681 1.00 24.41 C +ATOM 1459 O VAL A 195 24.528 14.284 -22.998 1.00 24.36 O +ATOM 1460 CB VAL A 195 22.708 16.024 -24.850 1.00 24.05 C +ATOM 1461 CG1 VAL A 195 21.435 15.222 -24.653 1.00 24.29 C +ATOM 1462 CG2 VAL A 195 22.420 17.339 -25.619 1.00 24.62 C +ATOM 1463 N LEU A 196 22.822 14.850 -21.630 1.00 24.57 N +ATOM 1464 CA LEU A 196 22.876 13.617 -20.842 1.00 24.88 C +ATOM 1465 C LEU A 196 21.612 12.788 -21.055 1.00 25.00 C +ATOM 1466 O LEU A 196 20.496 13.269 -20.850 1.00 25.13 O +ATOM 1467 CB LEU A 196 23.095 13.888 -19.343 1.00 24.95 C +ATOM 1468 CG LEU A 196 23.273 12.644 -18.448 1.00 25.13 C +ATOM 1469 CD1 LEU A 196 24.275 12.946 -17.323 1.00 24.14 C +ATOM 1470 CD2 LEU A 196 21.953 12.120 -17.869 1.00 24.61 C +ATOM 1471 N ILE A 197 21.818 11.537 -21.458 1.00 24.56 N +ATOM 1472 CA ILE A 197 20.740 10.572 -21.667 1.00 24.68 C +ATOM 1473 C ILE A 197 20.694 9.621 -20.477 1.00 24.49 C +ATOM 1474 O ILE A 197 21.683 8.965 -20.161 1.00 24.42 O +ATOM 1475 CB ILE A 197 20.954 9.727 -22.966 1.00 24.42 C +ATOM 1476 CG1 ILE A 197 21.286 10.611 -24.184 1.00 24.64 C +ATOM 1477 CG2 ILE A 197 19.771 8.753 -23.200 1.00 24.45 C +ATOM 1478 CD1 ILE A 197 20.204 11.645 -24.571 1.00 25.23 C +ATOM 1479 N PHE A 198 19.543 9.569 -19.821 1.00 24.49 N +ATOM 1480 CA PHE A 198 19.336 8.727 -18.648 1.00 24.61 C +ATOM 1481 C PHE A 198 18.324 7.682 -19.072 1.00 24.54 C +ATOM 1482 O PHE A 198 17.139 7.987 -19.227 1.00 23.60 O +ATOM 1483 CB PHE A 198 18.801 9.575 -17.478 1.00 25.24 C +ATOM 1484 CG PHE A 198 18.622 8.817 -16.182 1.00 25.68 C +ATOM 1485 CD1 PHE A 198 17.484 8.034 -15.957 1.00 26.51 C +ATOM 1486 CD2 PHE A 198 19.574 8.927 -15.158 1.00 26.91 C +ATOM 1487 CE1 PHE A 198 17.310 7.345 -14.744 1.00 26.58 C +ATOM 1488 CE2 PHE A 198 19.404 8.257 -13.941 1.00 27.27 C +ATOM 1489 CZ PHE A 198 18.265 7.463 -13.733 1.00 29.04 C +ATOM 1490 N ASP A 199 18.809 6.460 -19.284 1.00 24.40 N +ATOM 1491 CA ASP A 199 18.031 5.406 -19.963 1.00 24.61 C +ATOM 1492 C ASP A 199 17.889 4.173 -19.075 1.00 25.09 C +ATOM 1493 O ASP A 199 18.811 3.343 -18.968 1.00 25.59 O +ATOM 1494 CB ASP A 199 18.687 5.068 -21.313 1.00 24.35 C +ATOM 1495 CG ASP A 199 17.877 4.095 -22.140 1.00 24.93 C +ATOM 1496 OD1 ASP A 199 17.067 3.334 -21.550 1.00 27.37 O +ATOM 1497 OD2 ASP A 199 18.072 4.082 -23.383 1.00 26.45 O +ATOM 1498 N LEU A 200 16.744 4.077 -18.400 1.00 25.11 N +ATOM 1499 CA LEU A 200 16.484 2.965 -17.510 1.00 24.97 C +ATOM 1500 C LEU A 200 15.386 2.109 -18.129 1.00 24.87 C +ATOM 1501 O LEU A 200 14.226 2.520 -18.226 1.00 24.11 O +ATOM 1502 CB LEU A 200 16.120 3.465 -16.107 1.00 25.31 C +ATOM 1503 CG LEU A 200 15.958 2.472 -14.961 1.00 26.27 C +ATOM 1504 CD1 LEU A 200 17.278 1.765 -14.646 1.00 26.16 C +ATOM 1505 CD2 LEU A 200 15.414 3.220 -13.741 1.00 27.31 C +ATOM 1506 N GLY A 201 15.775 0.932 -18.597 1.00 24.56 N +ATOM 1507 CA GLY A 201 14.855 0.092 -19.364 1.00 24.86 C +ATOM 1508 C GLY A 201 14.354 -1.094 -18.559 1.00 25.36 C +ATOM 1509 O GLY A 201 14.207 -1.023 -17.329 1.00 26.13 O +ATOM 1510 N GLY A 202 14.102 -2.194 -19.256 1.00 25.22 N +ATOM 1511 CA GLY A 202 13.638 -3.404 -18.609 1.00 25.19 C +ATOM 1512 C GLY A 202 14.721 -4.300 -18.039 1.00 25.16 C +ATOM 1513 O GLY A 202 14.461 -5.065 -17.102 1.00 26.28 O +ATOM 1514 N GLY A 203 15.918 -4.240 -18.630 1.00 25.06 N +ATOM 1515 CA GLY A 203 17.044 -5.079 -18.195 1.00 24.32 C +ATOM 1516 C GLY A 203 18.360 -4.347 -17.958 1.00 24.19 C +ATOM 1517 O GLY A 203 19.245 -4.849 -17.231 1.00 23.69 O +ATOM 1518 N THR A 204 18.502 -3.157 -18.553 1.00 23.65 N +ATOM 1519 CA THR A 204 19.774 -2.422 -18.518 1.00 23.92 C +ATOM 1520 C THR A 204 19.560 -0.949 -18.181 1.00 24.01 C +ATOM 1521 O THR A 204 18.489 -0.394 -18.456 1.00 24.19 O +ATOM 1522 CB THR A 204 20.518 -2.463 -19.880 1.00 23.52 C +ATOM 1523 OG1 THR A 204 19.767 -1.736 -20.855 1.00 23.53 O +ATOM 1524 CG2 THR A 204 20.757 -3.885 -20.366 1.00 22.93 C +ATOM 1525 N PHE A 205 20.600 -0.338 -17.618 1.00 24.12 N +ATOM 1526 CA PHE A 205 20.597 1.078 -17.258 1.00 24.80 C +ATOM 1527 C PHE A 205 21.800 1.719 -17.944 1.00 24.62 C +ATOM 1528 O PHE A 205 22.948 1.312 -17.704 1.00 24.62 O +ATOM 1529 CB PHE A 205 20.692 1.215 -15.731 1.00 24.55 C +ATOM 1530 CG PHE A 205 20.900 2.633 -15.255 1.00 25.86 C +ATOM 1531 CD1 PHE A 205 20.123 3.678 -15.769 1.00 26.53 C +ATOM 1532 CD2 PHE A 205 21.863 2.913 -14.291 1.00 26.25 C +ATOM 1533 CE1 PHE A 205 20.313 4.993 -15.309 1.00 26.88 C +ATOM 1534 CE2 PHE A 205 22.060 4.217 -13.842 1.00 27.32 C +ATOM 1535 CZ PHE A 205 21.274 5.256 -14.356 1.00 28.05 C +ATOM 1536 N ASP A 206 21.545 2.695 -18.808 1.00 25.09 N +ATOM 1537 CA ASP A 206 22.611 3.358 -19.553 1.00 24.90 C +ATOM 1538 C ASP A 206 22.588 4.843 -19.330 1.00 25.26 C +ATOM 1539 O ASP A 206 21.542 5.468 -19.499 1.00 25.36 O +ATOM 1540 CB ASP A 206 22.455 3.084 -21.047 1.00 24.75 C +ATOM 1541 CG ASP A 206 22.557 1.631 -21.355 1.00 24.84 C +ATOM 1542 OD1 ASP A 206 23.643 1.069 -21.086 1.00 25.08 O +ATOM 1543 OD2 ASP A 206 21.563 1.072 -21.850 1.00 24.45 O +ATOM 1544 N VAL A 207 23.738 5.392 -18.942 1.00 25.91 N +ATOM 1545 CA VAL A 207 23.928 6.844 -18.918 1.00 25.68 C +ATOM 1546 C VAL A 207 24.950 7.238 -19.986 1.00 25.02 C +ATOM 1547 O VAL A 207 26.060 6.715 -20.007 1.00 25.24 O +ATOM 1548 CB VAL A 207 24.388 7.348 -17.527 1.00 26.15 C +ATOM 1549 CG1 VAL A 207 24.602 8.849 -17.552 1.00 26.72 C +ATOM 1550 CG2 VAL A 207 23.373 6.957 -16.454 1.00 26.47 C +ATOM 1551 N SER A 208 24.583 8.158 -20.875 1.00 24.63 N +ATOM 1552 CA SER A 208 25.502 8.603 -21.928 1.00 24.30 C +ATOM 1553 C SER A 208 25.556 10.117 -21.925 1.00 23.76 C +ATOM 1554 O SER A 208 24.510 10.765 -21.790 1.00 24.07 O +ATOM 1555 CB SER A 208 25.012 8.142 -23.305 1.00 24.87 C +ATOM 1556 OG SER A 208 24.710 6.756 -23.313 1.00 24.81 O +ATOM 1557 N ILE A 209 26.757 10.665 -22.099 1.00 23.51 N +ATOM 1558 CA ILE A 209 26.931 12.112 -22.281 1.00 23.25 C +ATOM 1559 C ILE A 209 27.394 12.362 -23.710 1.00 23.00 C +ATOM 1560 O ILE A 209 28.430 11.845 -24.151 1.00 23.39 O +ATOM 1561 CB ILE A 209 27.867 12.745 -21.224 1.00 23.25 C +ATOM 1562 CG1 ILE A 209 27.220 12.625 -19.838 1.00 23.44 C +ATOM 1563 CG2 ILE A 209 28.182 14.229 -21.584 1.00 23.50 C +ATOM 1564 CD1 ILE A 209 28.069 13.147 -18.680 1.00 25.36 C +ATOM 1565 N LEU A 210 26.575 13.117 -24.436 1.00 23.42 N +ATOM 1566 CA LEU A 210 26.837 13.474 -25.820 1.00 23.23 C +ATOM 1567 C LEU A 210 27.181 14.955 -25.889 1.00 24.10 C +ATOM 1568 O LEU A 210 26.584 15.757 -25.188 1.00 23.39 O +ATOM 1569 CB LEU A 210 25.603 13.230 -26.690 1.00 23.65 C +ATOM 1570 CG LEU A 210 24.803 11.917 -26.565 1.00 23.83 C +ATOM 1571 CD1 LEU A 210 23.627 11.966 -27.531 1.00 24.88 C +ATOM 1572 CD2 LEU A 210 25.661 10.689 -26.800 1.00 24.00 C +ATOM 1573 N THR A 211 28.151 15.287 -26.726 1.00 24.27 N +ATOM 1574 CA THR A 211 28.354 16.665 -27.141 1.00 24.82 C +ATOM 1575 C THR A 211 27.877 16.794 -28.584 1.00 24.76 C +ATOM 1576 O THR A 211 28.201 15.963 -29.440 1.00 26.06 O +ATOM 1577 CB THR A 211 29.812 17.104 -26.969 1.00 24.69 C +ATOM 1578 OG1 THR A 211 30.218 16.859 -25.613 1.00 25.76 O +ATOM 1579 CG2 THR A 211 29.941 18.593 -27.256 1.00 24.13 C +ATOM 1580 N ILE A 212 27.066 17.812 -28.837 1.00 24.77 N +ATOM 1581 CA ILE A 212 26.508 18.044 -30.159 1.00 24.19 C +ATOM 1582 C ILE A 212 26.887 19.446 -30.613 1.00 23.91 C +ATOM 1583 O ILE A 212 26.704 20.420 -29.872 1.00 23.22 O +ATOM 1584 CB ILE A 212 24.953 17.840 -30.189 1.00 24.20 C +ATOM 1585 CG1 ILE A 212 24.535 16.613 -29.357 1.00 24.61 C +ATOM 1586 CG2 ILE A 212 24.453 17.743 -31.635 1.00 25.52 C +ATOM 1587 CD1 ILE A 212 23.045 16.532 -29.027 1.00 22.64 C +ATOM 1588 N GLU A 213 27.450 19.533 -31.817 1.00 23.30 N +ATOM 1589 CA GLU A 213 27.809 20.829 -32.414 1.00 23.52 C +ATOM 1590 C GLU A 213 27.574 20.765 -33.910 1.00 23.49 C +ATOM 1591 O GLU A 213 28.184 19.946 -34.610 1.00 23.58 O +ATOM 1592 CB GLU A 213 29.273 21.160 -32.142 1.00 23.49 C +ATOM 1593 CG GLU A 213 29.632 22.626 -32.358 1.00 24.13 C +ATOM 1594 CD GLU A 213 31.116 22.887 -32.217 1.00 25.36 C +ATOM 1595 OE1 GLU A 213 31.869 21.942 -31.891 1.00 26.75 O +ATOM 1596 OE2 GLU A 213 31.531 24.043 -32.427 1.00 26.72 O +ATOM 1597 N ASP A 214 26.676 21.620 -34.395 1.00 24.22 N +ATOM 1598 CA ASP A 214 26.354 21.695 -35.821 1.00 24.43 C +ATOM 1599 C ASP A 214 25.848 20.337 -36.338 1.00 24.11 C +ATOM 1600 O ASP A 214 26.165 19.927 -37.454 1.00 24.29 O +ATOM 1601 CB ASP A 214 27.571 22.164 -36.621 1.00 24.76 C +ATOM 1602 CG ASP A 214 27.958 23.620 -36.321 1.00 25.54 C +ATOM 1603 OD1 ASP A 214 27.209 24.319 -35.595 1.00 26.10 O +ATOM 1604 OD2 ASP A 214 29.014 24.062 -36.821 1.00 27.44 O +ATOM 1605 N GLY A 215 25.075 19.650 -35.511 1.00 24.58 N +ATOM 1606 CA GLY A 215 24.522 18.352 -35.880 1.00 24.05 C +ATOM 1607 C GLY A 215 25.495 17.187 -35.862 1.00 24.22 C +ATOM 1608 O GLY A 215 25.129 16.078 -36.240 1.00 24.28 O +ATOM 1609 N ILE A 216 26.728 17.428 -35.419 1.00 23.79 N +ATOM 1610 CA ILE A 216 27.721 16.360 -35.274 1.00 23.77 C +ATOM 1611 C ILE A 216 27.777 15.874 -33.828 1.00 23.79 C +ATOM 1612 O ILE A 216 27.935 16.670 -32.896 1.00 23.03 O +ATOM 1613 CB ILE A 216 29.148 16.808 -35.716 1.00 23.89 C +ATOM 1614 CG1 ILE A 216 29.133 17.474 -37.108 1.00 24.57 C +ATOM 1615 CG2 ILE A 216 30.140 15.623 -35.626 1.00 23.58 C +ATOM 1616 CD1 ILE A 216 28.714 16.565 -38.256 1.00 26.29 C +ATOM 1617 N PHE A 217 27.660 14.556 -33.648 1.00 23.50 N +ATOM 1618 CA PHE A 217 27.659 13.959 -32.322 1.00 24.53 C +ATOM 1619 C PHE A 217 29.028 13.480 -31.885 1.00 25.33 C +ATOM 1620 O PHE A 217 29.841 13.041 -32.697 1.00 26.69 O +ATOM 1621 CB PHE A 217 26.721 12.750 -32.268 1.00 24.06 C +ATOM 1622 CG PHE A 217 25.278 13.102 -32.195 1.00 23.66 C +ATOM 1623 CD1 PHE A 217 24.557 13.370 -33.358 1.00 23.22 C +ATOM 1624 CD2 PHE A 217 24.627 13.165 -30.969 1.00 22.36 C +ATOM 1625 CE1 PHE A 217 23.201 13.685 -33.302 1.00 23.99 C +ATOM 1626 CE2 PHE A 217 23.262 13.480 -30.908 1.00 23.55 C +ATOM 1627 CZ PHE A 217 22.556 13.756 -32.083 1.00 22.93 C +ATOM 1628 N GLU A 218 29.266 13.547 -30.587 1.00 26.12 N +ATOM 1629 CA GLU A 218 30.409 12.873 -29.998 1.00 26.79 C +ATOM 1630 C GLU A 218 29.965 12.235 -28.700 1.00 26.46 C +ATOM 1631 O GLU A 218 29.384 12.893 -27.842 1.00 25.97 O +ATOM 1632 CB GLU A 218 31.566 13.849 -29.772 1.00 27.21 C +ATOM 1633 CG GLU A 218 32.865 13.163 -29.353 1.00 30.28 C +ATOM 1634 CD GLU A 218 33.951 14.128 -28.894 1.00 33.66 C +ATOM 1635 OE1 GLU A 218 33.928 15.317 -29.285 1.00 35.43 O +ATOM 1636 OE2 GLU A 218 34.838 13.692 -28.126 1.00 35.75 O +ATOM 1637 N VAL A 219 30.203 10.934 -28.566 1.00 26.64 N +ATOM 1638 CA VAL A 219 29.886 10.268 -27.317 1.00 26.97 C +ATOM 1639 C VAL A 219 31.087 10.498 -26.408 1.00 27.43 C +ATOM 1640 O VAL A 219 32.176 9.961 -26.648 1.00 27.93 O +ATOM 1641 CB VAL A 219 29.611 8.767 -27.504 1.00 27.13 C +ATOM 1642 CG1 VAL A 219 29.306 8.133 -26.155 1.00 27.76 C +ATOM 1643 CG2 VAL A 219 28.441 8.560 -28.457 1.00 27.12 C +ATOM 1644 N LYS A 220 30.889 11.319 -25.381 1.00 27.69 N +ATOM 1645 CA LYS A 220 31.976 11.717 -24.486 1.00 27.97 C +ATOM 1646 C LYS A 220 32.259 10.691 -23.392 1.00 27.64 C +ATOM 1647 O LYS A 220 33.423 10.423 -23.071 1.00 27.96 O +ATOM 1648 CB LYS A 220 31.708 13.104 -23.879 1.00 28.28 C +ATOM 1649 CG LYS A 220 31.792 14.253 -24.871 1.00 29.50 C +ATOM 1650 CD LYS A 220 33.237 14.545 -25.277 1.00 31.62 C +ATOM 1651 CE LYS A 220 33.394 15.913 -25.942 1.00 33.25 C +ATOM 1652 NZ LYS A 220 33.005 17.023 -25.030 1.00 33.06 N +ATOM 1653 N SER A 221 31.200 10.131 -22.813 1.00 26.90 N +ATOM 1654 CA SER A 221 31.326 9.095 -21.789 1.00 26.25 C +ATOM 1655 C SER A 221 30.081 8.221 -21.765 1.00 25.99 C +ATOM 1656 O SER A 221 29.011 8.636 -22.221 1.00 25.60 O +ATOM 1657 CB SER A 221 31.606 9.700 -20.395 1.00 26.29 C +ATOM 1658 OG SER A 221 30.498 10.412 -19.860 1.00 25.93 O +ATOM 1659 N THR A 222 30.252 6.992 -21.280 1.00 26.17 N +ATOM 1660 CA THR A 222 29.129 6.102 -21.004 1.00 26.49 C +ATOM 1661 C THR A 222 29.310 5.459 -19.631 1.00 26.54 C +ATOM 1662 O THR A 222 30.440 5.203 -19.191 1.00 25.77 O +ATOM 1663 CB THR A 222 28.930 5.011 -22.106 1.00 26.49 C +ATOM 1664 OG1 THR A 222 30.092 4.187 -22.195 1.00 26.82 O +ATOM 1665 CG2 THR A 222 28.674 5.655 -23.487 1.00 26.19 C +ATOM 1666 N ALA A 223 28.192 5.238 -18.947 1.00 26.62 N +ATOM 1667 CA ALA A 223 28.181 4.552 -17.656 1.00 26.58 C +ATOM 1668 C ALA A 223 26.878 3.786 -17.511 1.00 26.66 C +ATOM 1669 O ALA A 223 26.009 3.863 -18.382 1.00 26.44 O +ATOM 1670 CB ALA A 223 28.359 5.542 -16.512 1.00 26.58 C +ATOM 1671 N GLY A 224 26.746 3.052 -16.410 1.00 26.65 N +ATOM 1672 CA GLY A 224 25.507 2.348 -16.127 1.00 26.36 C +ATOM 1673 C GLY A 224 25.719 0.968 -15.548 1.00 26.39 C +ATOM 1674 O GLY A 224 26.740 0.698 -14.901 1.00 26.55 O +ATOM 1675 N ASP A 225 24.735 0.102 -15.775 1.00 26.26 N +ATOM 1676 CA ASP A 225 24.719 -1.247 -15.221 1.00 26.48 C +ATOM 1677 C ASP A 225 23.929 -2.105 -16.196 1.00 26.46 C +ATOM 1678 O ASP A 225 22.735 -1.883 -16.391 1.00 25.86 O +ATOM 1679 CB ASP A 225 24.025 -1.236 -13.853 1.00 26.73 C +ATOM 1680 CG ASP A 225 24.158 -2.555 -13.097 1.00 27.76 C +ATOM 1681 OD1 ASP A 225 24.330 -3.623 -13.730 1.00 27.84 O +ATOM 1682 OD2 ASP A 225 24.088 -2.519 -11.842 1.00 28.89 O +ATOM 1683 N THR A 226 24.601 -3.065 -16.822 1.00 26.29 N +ATOM 1684 CA THR A 226 23.953 -3.943 -17.816 1.00 26.05 C +ATOM 1685 C THR A 226 22.968 -4.946 -17.176 1.00 26.34 C +ATOM 1686 O THR A 226 22.261 -5.677 -17.888 1.00 25.65 O +ATOM 1687 CB THR A 226 24.995 -4.708 -18.674 1.00 27.02 C +ATOM 1688 OG1 THR A 226 25.817 -5.518 -17.826 1.00 25.81 O +ATOM 1689 CG2 THR A 226 25.866 -3.744 -19.460 1.00 27.50 C +ATOM 1690 N HIS A 227 22.930 -4.978 -15.843 1.00 25.50 N +ATOM 1691 CA HIS A 227 22.052 -5.889 -15.099 1.00 26.45 C +ATOM 1692 C HIS A 227 21.195 -5.182 -14.052 1.00 26.57 C +ATOM 1693 O HIS A 227 20.987 -5.685 -12.942 1.00 26.31 O +ATOM 1694 CB HIS A 227 22.864 -7.035 -14.477 1.00 26.66 C +ATOM 1695 CG HIS A 227 23.446 -7.969 -15.490 1.00 28.81 C +ATOM 1696 ND1 HIS A 227 22.730 -9.018 -16.026 1.00 31.31 N +ATOM 1697 CD2 HIS A 227 24.655 -7.992 -16.095 1.00 31.91 C +ATOM 1698 CE1 HIS A 227 23.485 -9.666 -16.894 1.00 32.40 C +ATOM 1699 NE2 HIS A 227 24.659 -9.065 -16.955 1.00 32.19 N +ATOM 1700 N LEU A 228 20.695 -4.006 -14.429 1.00 26.34 N +ATOM 1701 CA LEU A 228 19.736 -3.254 -13.623 1.00 26.48 C +ATOM 1702 C LEU A 228 18.636 -2.739 -14.537 1.00 25.67 C +ATOM 1703 O LEU A 228 18.909 -2.084 -15.542 1.00 25.58 O +ATOM 1704 CB LEU A 228 20.436 -2.071 -12.959 1.00 26.92 C +ATOM 1705 CG LEU A 228 19.881 -1.310 -11.737 1.00 29.85 C +ATOM 1706 CD1 LEU A 228 19.408 0.055 -12.122 1.00 32.61 C +ATOM 1707 CD2 LEU A 228 18.840 -2.042 -10.873 1.00 29.17 C +ATOM 1708 N GLY A 229 17.393 -3.054 -14.212 1.00 25.13 N +ATOM 1709 CA GLY A 229 16.266 -2.545 -14.993 1.00 25.11 C +ATOM 1710 C GLY A 229 14.961 -2.864 -14.308 1.00 25.07 C +ATOM 1711 O GLY A 229 14.957 -3.302 -13.159 1.00 25.49 O +ATOM 1712 N GLY A 230 13.865 -2.661 -15.034 1.00 24.61 N +ATOM 1713 CA GLY A 230 12.505 -2.891 -14.531 1.00 24.35 C +ATOM 1714 C GLY A 230 12.259 -4.278 -13.960 1.00 24.42 C +ATOM 1715 O GLY A 230 11.505 -4.424 -12.988 1.00 24.61 O +ATOM 1716 N GLU A 231 12.891 -5.287 -14.561 1.00 24.37 N +ATOM 1717 CA GLU A 231 12.763 -6.676 -14.109 1.00 24.80 C +ATOM 1718 C GLU A 231 13.149 -6.794 -12.630 1.00 24.62 C +ATOM 1719 O GLU A 231 12.524 -7.539 -11.864 1.00 24.36 O +ATOM 1720 CB GLU A 231 13.609 -7.616 -14.981 1.00 25.55 C +ATOM 1721 CG GLU A 231 13.734 -9.053 -14.438 1.00 28.52 C +ATOM 1722 CD GLU A 231 12.755 -10.070 -15.047 1.00 33.28 C +ATOM 1723 OE1 GLU A 231 12.862 -11.271 -14.683 1.00 34.63 O +ATOM 1724 OE2 GLU A 231 11.898 -9.701 -15.884 1.00 34.14 O +ATOM 1725 N ASP A 232 14.159 -6.031 -12.233 1.00 23.98 N +ATOM 1726 CA ASP A 232 14.634 -6.056 -10.856 1.00 24.32 C +ATOM 1727 C ASP A 232 13.639 -5.443 -9.878 1.00 24.45 C +ATOM 1728 O ASP A 232 13.522 -5.901 -8.736 1.00 24.68 O +ATOM 1729 CB ASP A 232 16.003 -5.393 -10.775 1.00 24.02 C +ATOM 1730 CG ASP A 232 17.025 -6.082 -11.679 1.00 24.83 C +ATOM 1731 OD1 ASP A 232 17.470 -5.460 -12.659 1.00 24.66 O +ATOM 1732 OD2 ASP A 232 17.345 -7.270 -11.439 1.00 25.26 O +ATOM 1733 N PHE A 233 12.919 -4.418 -10.329 1.00 24.81 N +ATOM 1734 CA PHE A 233 11.852 -3.812 -9.529 1.00 25.24 C +ATOM 1735 C PHE A 233 10.667 -4.759 -9.391 1.00 25.37 C +ATOM 1736 O PHE A 233 10.075 -4.844 -8.312 1.00 26.09 O +ATOM 1737 CB PHE A 233 11.421 -2.451 -10.102 1.00 25.26 C +ATOM 1738 CG PHE A 233 12.571 -1.570 -10.509 1.00 25.87 C +ATOM 1739 CD1 PHE A 233 13.755 -1.555 -9.767 1.00 28.23 C +ATOM 1740 CD2 PHE A 233 12.466 -0.744 -11.632 1.00 28.57 C +ATOM 1741 CE1 PHE A 233 14.828 -0.749 -10.151 1.00 28.47 C +ATOM 1742 CE2 PHE A 233 13.529 0.073 -12.031 1.00 28.33 C +ATOM 1743 CZ PHE A 233 14.713 0.073 -11.277 1.00 29.41 C +ATOM 1744 N ASP A 234 10.349 -5.484 -10.466 1.00 25.08 N +ATOM 1745 CA ASP A 234 9.325 -6.537 -10.441 1.00 24.77 C +ATOM 1746 C ASP A 234 9.696 -7.579 -9.391 1.00 24.49 C +ATOM 1747 O ASP A 234 8.858 -7.979 -8.586 1.00 25.03 O +ATOM 1748 CB ASP A 234 9.198 -7.255 -11.796 1.00 24.21 C +ATOM 1749 CG ASP A 234 8.838 -6.320 -12.952 1.00 24.20 C +ATOM 1750 OD1 ASP A 234 8.384 -5.181 -12.711 1.00 24.19 O +ATOM 1751 OD2 ASP A 234 8.991 -6.764 -14.109 1.00 24.04 O +ATOM 1752 N ASN A 235 10.959 -8.007 -9.403 1.00 24.65 N +ATOM 1753 CA ASN A 235 11.424 -9.055 -8.491 1.00 24.55 C +ATOM 1754 C ASN A 235 11.319 -8.675 -7.015 1.00 24.61 C +ATOM 1755 O ASN A 235 11.013 -9.523 -6.163 1.00 23.66 O +ATOM 1756 CB ASN A 235 12.849 -9.493 -8.851 1.00 25.09 C +ATOM 1757 CG ASN A 235 12.882 -10.457 -10.032 1.00 26.64 C +ATOM 1758 OD1 ASN A 235 11.892 -11.133 -10.331 1.00 29.86 O +ATOM 1759 ND2 ASN A 235 14.029 -10.551 -10.684 1.00 28.88 N +ATOM 1760 N ARG A 236 11.561 -7.403 -6.709 1.00 24.00 N +ATOM 1761 CA ARG A 236 11.408 -6.922 -5.334 1.00 24.61 C +ATOM 1762 C ARG A 236 9.955 -7.027 -4.858 1.00 24.79 C +ATOM 1763 O ARG A 236 9.695 -7.340 -3.688 1.00 24.53 O +ATOM 1764 CB ARG A 236 11.934 -5.490 -5.194 1.00 24.66 C +ATOM 1765 CG ARG A 236 13.468 -5.345 -5.340 1.00 24.44 C +ATOM 1766 CD ARG A 236 14.214 -5.943 -4.148 1.00 24.08 C +ATOM 1767 NE ARG A 236 15.666 -5.766 -4.221 1.00 24.13 N +ATOM 1768 CZ ARG A 236 16.327 -4.689 -3.802 1.00 24.09 C +ATOM 1769 NH1 ARG A 236 15.674 -3.650 -3.299 1.00 26.19 N +ATOM 1770 NH2 ARG A 236 17.648 -4.641 -3.902 1.00 23.95 N +ATOM 1771 N MET A 237 9.017 -6.779 -5.774 1.00 25.54 N +ATOM 1772 CA MET A 237 7.592 -6.948 -5.504 1.00 25.82 C +ATOM 1773 C MET A 237 7.226 -8.422 -5.347 1.00 25.88 C +ATOM 1774 O MET A 237 6.454 -8.788 -4.455 1.00 26.22 O +ATOM 1775 CB MET A 237 6.763 -6.351 -6.637 1.00 26.06 C +ATOM 1776 CG MET A 237 6.999 -4.873 -6.893 1.00 27.00 C +ATOM 1777 SD MET A 237 6.040 -4.329 -8.330 1.00 29.64 S +ATOM 1778 CE MET A 237 4.366 -4.439 -7.667 1.00 25.04 C +ATOM 1779 N VAL A 238 7.773 -9.260 -6.223 1.00 25.57 N +ATOM 1780 CA VAL A 238 7.535 -10.711 -6.178 1.00 25.84 C +ATOM 1781 C VAL A 238 7.870 -11.308 -4.806 1.00 25.94 C +ATOM 1782 O VAL A 238 7.050 -12.024 -4.214 1.00 25.73 O +ATOM 1783 CB VAL A 238 8.299 -11.456 -7.310 1.00 25.36 C +ATOM 1784 CG1 VAL A 238 8.353 -12.968 -7.054 1.00 26.45 C +ATOM 1785 CG2 VAL A 238 7.654 -11.161 -8.661 1.00 25.16 C +ATOM 1786 N ASN A 239 9.063 -11.005 -4.299 1.00 26.30 N +ATOM 1787 CA ASN A 239 9.492 -11.541 -3.009 1.00 26.70 C +ATOM 1788 C ASN A 239 8.590 -11.081 -1.865 1.00 26.85 C +ATOM 1789 O ASN A 239 8.270 -11.862 -0.969 1.00 26.49 O +ATOM 1790 CB ASN A 239 10.955 -11.189 -2.742 1.00 26.79 C +ATOM 1791 CG ASN A 239 11.909 -11.896 -3.698 1.00 27.30 C +ATOM 1792 OD1 ASN A 239 12.790 -11.272 -4.284 1.00 29.75 O +ATOM 1793 ND2 ASN A 239 11.725 -13.203 -3.870 1.00 28.53 N +ATOM 1794 N HIS A 240 8.169 -9.818 -1.931 1.00 27.23 N +ATOM 1795 CA HIS A 240 7.193 -9.228 -1.000 1.00 27.41 C +ATOM 1796 C HIS A 240 5.890 -10.031 -0.929 1.00 27.22 C +ATOM 1797 O HIS A 240 5.391 -10.315 0.167 1.00 27.00 O +ATOM 1798 CB HIS A 240 6.909 -7.787 -1.429 1.00 27.64 C +ATOM 1799 CG HIS A 240 5.960 -7.048 -0.538 1.00 28.53 C +ATOM 1800 ND1 HIS A 240 6.215 -6.810 0.796 1.00 28.43 N +ATOM 1801 CD2 HIS A 240 4.769 -6.461 -0.804 1.00 28.63 C +ATOM 1802 CE1 HIS A 240 5.213 -6.123 1.316 1.00 29.54 C +ATOM 1803 NE2 HIS A 240 4.324 -5.896 0.365 1.00 28.34 N +ATOM 1804 N PHE A 241 5.353 -10.404 -2.088 1.00 27.01 N +ATOM 1805 CA PHE A 241 4.084 -11.138 -2.154 1.00 26.78 C +ATOM 1806 C PHE A 241 4.210 -12.644 -1.876 1.00 26.65 C +ATOM 1807 O PHE A 241 3.246 -13.273 -1.432 1.00 26.20 O +ATOM 1808 CB PHE A 241 3.343 -10.849 -3.475 1.00 26.65 C +ATOM 1809 CG PHE A 241 2.853 -9.421 -3.595 1.00 27.26 C +ATOM 1810 CD1 PHE A 241 2.099 -8.833 -2.579 1.00 28.91 C +ATOM 1811 CD2 PHE A 241 3.141 -8.666 -4.731 1.00 28.26 C +ATOM 1812 CE1 PHE A 241 1.653 -7.513 -2.685 1.00 29.07 C +ATOM 1813 CE2 PHE A 241 2.701 -7.350 -4.847 1.00 28.84 C +ATOM 1814 CZ PHE A 241 1.950 -6.772 -3.830 1.00 29.39 C +ATOM 1815 N ILE A 242 5.394 -13.216 -2.115 1.00 26.71 N +ATOM 1816 CA ILE A 242 5.691 -14.602 -1.681 1.00 26.75 C +ATOM 1817 C ILE A 242 5.636 -14.740 -0.151 1.00 27.57 C +ATOM 1818 O ILE A 242 5.147 -15.772 0.391 1.00 26.62 O +ATOM 1819 CB ILE A 242 7.068 -15.110 -2.225 1.00 26.83 C +ATOM 1820 CG1 ILE A 242 6.998 -15.360 -3.737 1.00 26.58 C +ATOM 1821 CG2 ILE A 242 7.529 -16.390 -1.489 1.00 26.58 C +ATOM 1822 CD1 ILE A 242 8.334 -15.798 -4.364 1.00 25.55 C +ATOM 1823 N ALA A 243 6.137 -13.708 0.543 1.00 26.95 N +ATOM 1824 CA ALA A 243 6.081 -13.663 1.991 1.00 26.66 C +ATOM 1825 C ALA A 243 4.626 -13.572 2.443 1.00 26.57 C +ATOM 1826 O ALA A 243 4.187 -14.355 3.288 1.00 25.96 O +ATOM 1827 CB ALA A 243 6.904 -12.495 2.532 1.00 26.46 C +ATOM 1828 N GLU A 244 3.884 -12.643 1.830 1.00 26.61 N +ATOM 1829 CA GLU A 244 2.468 -12.414 2.126 1.00 26.79 C +ATOM 1830 C GLU A 244 1.623 -13.677 1.969 1.00 26.69 C +ATOM 1831 O GLU A 244 0.774 -13.957 2.810 1.00 26.84 O +ATOM 1832 CB GLU A 244 1.906 -11.293 1.243 1.00 26.66 C +ATOM 1833 CG GLU A 244 0.526 -10.776 1.683 1.00 27.72 C +ATOM 1834 CD GLU A 244 0.056 -9.564 0.881 1.00 29.74 C +ATOM 1835 OE1 GLU A 244 0.737 -8.516 0.908 1.00 29.54 O +ATOM 1836 OE2 GLU A 244 -1.008 -9.662 0.233 1.00 30.58 O +ATOM 1837 N PHE A 245 1.866 -14.428 0.894 1.00 26.68 N +ATOM 1838 CA PHE A 245 1.120 -15.653 0.592 1.00 26.98 C +ATOM 1839 C PHE A 245 1.435 -16.748 1.615 1.00 27.48 C +ATOM 1840 O PHE A 245 0.529 -17.448 2.079 1.00 27.18 O +ATOM 1841 CB PHE A 245 1.416 -16.123 -0.843 1.00 26.90 C +ATOM 1842 CG PHE A 245 0.456 -17.167 -1.369 1.00 27.11 C +ATOM 1843 CD1 PHE A 245 -0.594 -16.803 -2.214 1.00 27.05 C +ATOM 1844 CD2 PHE A 245 0.617 -18.517 -1.046 1.00 27.21 C +ATOM 1845 CE1 PHE A 245 -1.478 -17.766 -2.719 1.00 26.49 C +ATOM 1846 CE2 PHE A 245 -0.261 -19.486 -1.544 1.00 27.20 C +ATOM 1847 CZ PHE A 245 -1.308 -19.106 -2.383 1.00 26.74 C +ATOM 1848 N LYS A 246 2.712 -16.875 1.978 1.00 27.75 N +ATOM 1849 CA LYS A 246 3.144 -17.870 2.963 1.00 28.43 C +ATOM 1850 C LYS A 246 2.519 -17.620 4.339 1.00 28.56 C +ATOM 1851 O LYS A 246 2.151 -18.570 5.041 1.00 28.38 O +ATOM 1852 CB LYS A 246 4.671 -17.917 3.068 1.00 28.52 C +ATOM 1853 CG LYS A 246 5.216 -19.241 3.606 1.00 29.68 C +ATOM 1854 CD LYS A 246 6.651 -19.132 4.118 1.00 31.08 C +ATOM 1855 CE LYS A 246 6.690 -18.921 5.629 1.00 32.38 C +ATOM 1856 NZ LYS A 246 7.988 -19.330 6.243 1.00 32.40 N +ATOM 1857 N ARG A 247 2.392 -16.345 4.709 1.00 28.60 N +ATOM 1858 CA ARG A 247 1.813 -15.957 6.003 1.00 28.68 C +ATOM 1859 C ARG A 247 0.298 -16.131 6.054 1.00 28.24 C +ATOM 1860 O ARG A 247 -0.239 -16.615 7.053 1.00 28.08 O +ATOM 1861 CB ARG A 247 2.181 -14.515 6.345 1.00 28.90 C +ATOM 1862 CG ARG A 247 3.486 -14.380 7.106 1.00 30.44 C +ATOM 1863 CD ARG A 247 4.240 -13.131 6.688 1.00 32.07 C +ATOM 1864 NE ARG A 247 3.332 -12.036 6.359 1.00 33.76 N +ATOM 1865 CZ ARG A 247 3.577 -11.114 5.432 1.00 33.45 C +ATOM 1866 NH1 ARG A 247 4.709 -11.141 4.742 1.00 31.88 N +ATOM 1867 NH2 ARG A 247 2.684 -10.162 5.197 1.00 34.90 N +ATOM 1868 N LYS A 248 -0.379 -15.732 4.981 1.00 27.76 N +ATOM 1869 CA LYS A 248 -1.826 -15.903 4.863 1.00 27.62 C +ATOM 1870 C LYS A 248 -2.241 -17.375 4.797 1.00 27.17 C +ATOM 1871 O LYS A 248 -3.191 -17.788 5.481 1.00 26.73 O +ATOM 1872 CB LYS A 248 -2.363 -15.159 3.629 1.00 27.92 C +ATOM 1873 CG LYS A 248 -2.716 -13.692 3.854 1.00 29.11 C +ATOM 1874 CD LYS A 248 -4.084 -13.542 4.527 1.00 31.74 C +ATOM 1875 CE LYS A 248 -4.593 -12.102 4.477 1.00 32.68 C +ATOM 1876 NZ LYS A 248 -4.973 -11.692 3.092 1.00 33.91 N +ATOM 1877 N HIS A 249 -1.526 -18.166 3.989 1.00 26.57 N +ATOM 1878 CA HIS A 249 -2.008 -19.502 3.633 1.00 26.26 C +ATOM 1879 C HIS A 249 -1.216 -20.725 4.154 1.00 26.25 C +ATOM 1880 O HIS A 249 -1.626 -21.863 3.901 1.00 25.93 O +ATOM 1881 CB HIS A 249 -2.224 -19.595 2.113 1.00 25.88 C +ATOM 1882 CG HIS A 249 -3.139 -18.539 1.567 1.00 25.74 C +ATOM 1883 ND1 HIS A 249 -2.685 -17.470 0.819 1.00 25.18 N +ATOM 1884 CD2 HIS A 249 -4.481 -18.384 1.661 1.00 24.38 C +ATOM 1885 CE1 HIS A 249 -3.707 -16.705 0.477 1.00 25.14 C +ATOM 1886 NE2 HIS A 249 -4.809 -17.236 0.976 1.00 25.69 N +ATOM 1887 N LYS A 250 -0.115 -20.504 4.905 1.00 26.38 N +ATOM 1888 CA LYS A 250 0.785 -21.610 5.298 1.00 26.11 C +ATOM 1889 C LYS A 250 1.245 -22.488 4.106 1.00 26.69 C +ATOM 1890 O LYS A 250 1.333 -23.726 4.216 1.00 26.24 O +ATOM 1891 CB LYS A 250 0.178 -22.456 6.437 1.00 26.24 C +ATOM 1892 CG LYS A 250 0.616 -21.990 7.815 1.00 25.51 C +ATOM 1893 CD LYS A 250 -0.031 -22.898 8.891 1.00 24.66 C +ATOM 1894 CE LYS A 250 0.995 -23.270 9.957 1.00 25.74 C +ATOM 1895 NZ LYS A 250 1.966 -24.347 9.495 1.00 26.50 N +ATOM 1896 N LYS A 251 1.535 -21.822 2.980 1.00 26.62 N +ATOM 1897 CA LYS A 251 2.042 -22.457 1.752 1.00 27.21 C +ATOM 1898 C LYS A 251 3.187 -21.634 1.164 1.00 27.52 C +ATOM 1899 O LYS A 251 3.098 -20.409 1.095 1.00 27.78 O +ATOM 1900 CB LYS A 251 0.948 -22.549 0.682 1.00 26.89 C +ATOM 1901 CG LYS A 251 -0.087 -23.649 0.880 1.00 26.25 C +ATOM 1902 CD LYS A 251 -1.090 -23.629 -0.277 1.00 24.58 C +ATOM 1903 CE LYS A 251 -2.340 -24.440 0.054 1.00 23.88 C +ATOM 1904 NZ LYS A 251 -2.092 -25.900 0.020 1.00 22.90 N +ATOM 1905 N ASP A 252 4.247 -22.306 0.706 1.00 28.19 N +ATOM 1906 CA ASP A 252 5.358 -21.617 0.042 1.00 28.86 C +ATOM 1907 C ASP A 252 5.343 -21.872 -1.462 1.00 29.12 C +ATOM 1908 O ASP A 252 5.479 -23.016 -1.907 1.00 29.17 O +ATOM 1909 CB ASP A 252 6.698 -22.044 0.642 1.00 29.03 C +ATOM 1910 CG ASP A 252 7.867 -21.218 0.121 1.00 29.54 C +ATOM 1911 OD1 ASP A 252 7.655 -20.230 -0.617 1.00 28.53 O +ATOM 1912 OD2 ASP A 252 9.014 -21.556 0.470 1.00 31.13 O +ATOM 1913 N ILE A 253 5.176 -20.795 -2.233 1.00 29.35 N +ATOM 1914 CA ILE A 253 5.102 -20.875 -3.697 1.00 29.73 C +ATOM 1915 C ILE A 253 6.469 -20.781 -4.390 1.00 29.84 C +ATOM 1916 O ILE A 253 6.558 -21.007 -5.598 1.00 29.90 O +ATOM 1917 CB ILE A 253 4.123 -19.816 -4.294 1.00 29.78 C +ATOM 1918 CG1 ILE A 253 4.704 -18.399 -4.202 1.00 29.79 C +ATOM 1919 CG2 ILE A 253 2.766 -19.899 -3.599 1.00 29.97 C +ATOM 1920 CD1 ILE A 253 3.884 -17.338 -4.942 1.00 31.00 C +ATOM 1921 N SER A 254 7.517 -20.472 -3.617 1.00 30.21 N +ATOM 1922 CA SER A 254 8.870 -20.177 -4.145 1.00 30.47 C +ATOM 1923 C SER A 254 9.412 -21.192 -5.147 1.00 30.35 C +ATOM 1924 O SER A 254 10.076 -20.814 -6.116 1.00 30.53 O +ATOM 1925 CB SER A 254 9.889 -20.030 -3.008 1.00 30.59 C +ATOM 1926 OG SER A 254 9.590 -18.933 -2.165 1.00 31.85 O +ATOM 1927 N GLU A 255 9.137 -22.471 -4.899 1.00 30.10 N +ATOM 1928 CA GLU A 255 9.678 -23.554 -5.714 1.00 30.00 C +ATOM 1929 C GLU A 255 8.741 -23.995 -6.840 1.00 29.39 C +ATOM 1930 O GLU A 255 9.103 -24.846 -7.654 1.00 29.34 O +ATOM 1931 CB GLU A 255 10.073 -24.747 -4.831 1.00 30.25 C +ATOM 1932 CG GLU A 255 11.191 -24.441 -3.842 1.00 31.97 C +ATOM 1933 CD GLU A 255 12.567 -24.441 -4.492 1.00 34.15 C +ATOM 1934 OE1 GLU A 255 13.059 -23.345 -4.846 1.00 34.29 O +ATOM 1935 OE2 GLU A 255 13.149 -25.539 -4.649 1.00 35.08 O +ATOM 1936 N ASN A 256 7.537 -23.426 -6.884 1.00 28.82 N +ATOM 1937 CA ASN A 256 6.665 -23.622 -8.036 1.00 27.93 C +ATOM 1938 C ASN A 256 6.961 -22.533 -9.064 1.00 27.57 C +ATOM 1939 O ASN A 256 6.567 -21.378 -8.888 1.00 27.18 O +ATOM 1940 CB ASN A 256 5.190 -23.624 -7.636 1.00 27.85 C +ATOM 1941 CG ASN A 256 4.297 -24.215 -8.714 1.00 27.77 C +ATOM 1942 OD1 ASN A 256 4.017 -23.579 -9.730 1.00 26.52 O +ATOM 1943 ND2 ASN A 256 3.844 -25.440 -8.495 1.00 27.38 N +ATOM 1944 N LYS A 257 7.675 -22.914 -10.120 1.00 27.23 N +ATOM 1945 CA LYS A 257 8.148 -21.962 -11.126 1.00 26.89 C +ATOM 1946 C LYS A 257 7.003 -21.259 -11.860 1.00 26.64 C +ATOM 1947 O LYS A 257 7.083 -20.063 -12.126 1.00 26.41 O +ATOM 1948 CB LYS A 257 9.091 -22.638 -12.126 1.00 27.17 C +ATOM 1949 CG LYS A 257 10.415 -23.119 -11.530 1.00 28.20 C +ATOM 1950 CD LYS A 257 11.407 -23.463 -12.638 1.00 29.75 C +ATOM 1951 CE LYS A 257 12.729 -23.980 -12.090 1.00 30.90 C +ATOM 1952 NZ LYS A 257 12.618 -25.397 -11.618 1.00 30.77 N +ATOM 1953 N ARG A 258 5.941 -21.996 -12.176 1.00 26.14 N +ATOM 1954 CA ARG A 258 4.775 -21.411 -12.843 1.00 26.27 C +ATOM 1955 C ARG A 258 4.088 -20.344 -11.980 1.00 25.91 C +ATOM 1956 O ARG A 258 3.747 -19.270 -12.479 1.00 25.75 O +ATOM 1957 CB ARG A 258 3.784 -22.505 -13.263 1.00 26.63 C +ATOM 1958 CG ARG A 258 2.548 -21.989 -13.976 1.00 27.60 C +ATOM 1959 CD ARG A 258 1.780 -23.100 -14.676 1.00 31.08 C +ATOM 1960 NE ARG A 258 0.596 -22.563 -15.351 1.00 34.72 N +ATOM 1961 CZ ARG A 258 -0.615 -22.463 -14.801 1.00 35.75 C +ATOM 1962 NH1 ARG A 258 -0.828 -22.871 -13.555 1.00 36.36 N +ATOM 1963 NH2 ARG A 258 -1.621 -21.951 -15.503 1.00 36.38 N +ATOM 1964 N ALA A 259 3.891 -20.638 -10.692 1.00 25.54 N +ATOM 1965 CA ALA A 259 3.251 -19.688 -9.772 1.00 24.98 C +ATOM 1966 C ALA A 259 4.078 -18.403 -9.630 1.00 25.00 C +ATOM 1967 O ALA A 259 3.529 -17.296 -9.655 1.00 25.18 O +ATOM 1968 CB ALA A 259 2.995 -20.340 -8.402 1.00 25.06 C +ATOM 1969 N VAL A 260 5.397 -18.551 -9.517 1.00 24.45 N +ATOM 1970 CA VAL A 260 6.305 -17.405 -9.391 1.00 24.26 C +ATOM 1971 C VAL A 260 6.260 -16.501 -10.640 1.00 23.98 C +ATOM 1972 O VAL A 260 6.255 -15.273 -10.516 1.00 23.62 O +ATOM 1973 CB VAL A 260 7.767 -17.854 -9.096 1.00 24.27 C +ATOM 1974 CG1 VAL A 260 8.731 -16.667 -9.107 1.00 24.03 C +ATOM 1975 CG2 VAL A 260 7.847 -18.564 -7.757 1.00 24.55 C +ATOM 1976 N ARG A 261 6.219 -17.120 -11.821 1.00 24.17 N +ATOM 1977 CA ARG A 261 6.150 -16.382 -13.093 1.00 24.38 C +ATOM 1978 C ARG A 261 4.800 -15.697 -13.261 1.00 24.77 C +ATOM 1979 O ARG A 261 4.734 -14.539 -13.689 1.00 24.77 O +ATOM 1980 CB ARG A 261 6.449 -17.290 -14.288 1.00 24.88 C +ATOM 1981 CG ARG A 261 7.898 -17.754 -14.371 1.00 26.26 C +ATOM 1982 CD ARG A 261 8.129 -18.609 -15.599 1.00 29.75 C +ATOM 1983 NE ARG A 261 8.773 -19.877 -15.258 1.00 32.55 N +ATOM 1984 CZ ARG A 261 10.083 -20.105 -15.298 1.00 33.80 C +ATOM 1985 NH1 ARG A 261 10.932 -19.148 -15.660 1.00 34.64 N +ATOM 1986 NH2 ARG A 261 10.548 -21.301 -14.971 1.00 34.07 N +ATOM 1987 N ARG A 262 3.728 -16.406 -12.907 1.00 24.34 N +ATOM 1988 CA ARG A 262 2.388 -15.827 -12.920 1.00 24.51 C +ATOM 1989 C ARG A 262 2.291 -14.622 -11.975 1.00 24.30 C +ATOM 1990 O ARG A 262 1.680 -13.606 -12.322 1.00 24.50 O +ATOM 1991 CB ARG A 262 1.333 -16.887 -12.585 1.00 24.31 C +ATOM 1992 CG ARG A 262 1.055 -17.847 -13.745 1.00 24.47 C +ATOM 1993 CD ARG A 262 -0.097 -18.783 -13.427 1.00 24.99 C +ATOM 1994 NE ARG A 262 -1.382 -18.095 -13.510 1.00 25.25 N +ATOM 1995 CZ ARG A 262 -2.439 -18.364 -12.744 1.00 25.12 C +ATOM 1996 NH1 ARG A 262 -2.381 -19.306 -11.813 1.00 25.22 N +ATOM 1997 NH2 ARG A 262 -3.561 -17.675 -12.906 1.00 25.42 N +ATOM 1998 N LEU A 263 2.919 -14.726 -10.805 1.00 24.02 N +ATOM 1999 CA LEU A 263 2.960 -13.612 -9.852 1.00 23.75 C +ATOM 2000 C LEU A 263 3.767 -12.422 -10.385 1.00 24.23 C +ATOM 2001 O LEU A 263 3.352 -11.263 -10.230 1.00 23.77 O +ATOM 2002 CB LEU A 263 3.498 -14.065 -8.490 1.00 24.24 C +ATOM 2003 CG LEU A 263 3.703 -13.021 -7.386 1.00 23.07 C +ATOM 2004 CD1 LEU A 263 2.420 -12.268 -7.031 1.00 24.02 C +ATOM 2005 CD2 LEU A 263 4.280 -13.721 -6.158 1.00 21.90 C +ATOM 2006 N ARG A 264 4.905 -12.712 -11.014 1.00 24.23 N +ATOM 2007 CA ARG A 264 5.756 -11.662 -11.571 1.00 24.58 C +ATOM 2008 C ARG A 264 5.001 -10.842 -12.621 1.00 24.59 C +ATOM 2009 O ARG A 264 5.079 -9.614 -12.619 1.00 24.68 O +ATOM 2010 CB ARG A 264 7.051 -12.245 -12.143 1.00 24.75 C +ATOM 2011 CG ARG A 264 8.038 -11.188 -12.670 1.00 26.66 C +ATOM 2012 CD ARG A 264 9.329 -11.814 -13.236 1.00 29.33 C +ATOM 2013 NE ARG A 264 10.154 -12.398 -12.183 1.00 30.10 N +ATOM 2014 CZ ARG A 264 10.364 -13.704 -12.012 1.00 32.17 C +ATOM 2015 NH1 ARG A 264 9.830 -14.593 -12.841 1.00 33.33 N +ATOM 2016 NH2 ARG A 264 11.120 -14.124 -11.006 1.00 32.19 N +ATOM 2017 N THR A 265 4.257 -11.524 -13.489 1.00 24.95 N +ATOM 2018 CA THR A 265 3.448 -10.849 -14.514 1.00 24.99 C +ATOM 2019 C THR A 265 2.485 -9.857 -13.872 1.00 25.20 C +ATOM 2020 O THR A 265 2.369 -8.709 -14.318 1.00 25.77 O +ATOM 2021 CB THR A 265 2.670 -11.844 -15.398 1.00 25.41 C +ATOM 2022 OG1 THR A 265 3.588 -12.733 -16.050 1.00 24.82 O +ATOM 2023 CG2 THR A 265 1.864 -11.089 -16.479 1.00 25.15 C +ATOM 2024 N ALA A 266 1.807 -10.299 -12.812 1.00 25.03 N +ATOM 2025 CA ALA A 266 0.871 -9.447 -12.091 1.00 24.99 C +ATOM 2026 C ALA A 266 1.573 -8.237 -11.450 1.00 24.75 C +ATOM 2027 O ALA A 266 1.036 -7.128 -11.476 1.00 24.94 O +ATOM 2028 CB ALA A 266 0.112 -10.257 -11.050 1.00 24.67 C +ATOM 2029 N CYS A 267 2.774 -8.457 -10.906 1.00 24.78 N +ATOM 2030 CA CYS A 267 3.586 -7.381 -10.310 1.00 24.76 C +ATOM 2031 C CYS A 267 4.024 -6.313 -11.326 1.00 24.67 C +ATOM 2032 O CYS A 267 4.004 -5.112 -11.025 1.00 24.28 O +ATOM 2033 CB CYS A 267 4.819 -7.957 -9.610 1.00 24.96 C +ATOM 2034 SG CYS A 267 4.437 -8.830 -8.076 1.00 25.69 S +ATOM 2035 N GLU A 268 4.404 -6.746 -12.526 1.00 25.00 N +ATOM 2036 CA GLU A 268 4.823 -5.788 -13.553 1.00 25.27 C +ATOM 2037 C GLU A 268 3.650 -4.864 -13.929 1.00 24.93 C +ATOM 2038 O GLU A 268 3.828 -3.651 -14.080 1.00 24.91 O +ATOM 2039 CB GLU A 268 5.379 -6.497 -14.788 1.00 25.33 C +ATOM 2040 CG GLU A 268 6.183 -5.562 -15.692 1.00 27.71 C +ATOM 2041 CD GLU A 268 6.277 -6.031 -17.136 1.00 29.57 C +ATOM 2042 OE1 GLU A 268 6.024 -7.224 -17.434 1.00 31.02 O +ATOM 2043 OE2 GLU A 268 6.623 -5.190 -17.990 1.00 30.42 O +ATOM 2044 N ARG A 269 2.457 -5.445 -14.046 1.00 24.56 N +ATOM 2045 CA ARG A 269 1.240 -4.687 -14.356 1.00 25.15 C +ATOM 2046 C ARG A 269 0.910 -3.659 -13.262 1.00 24.47 C +ATOM 2047 O ARG A 269 0.590 -2.500 -13.570 1.00 23.86 O +ATOM 2048 CB ARG A 269 0.069 -5.646 -14.570 1.00 25.97 C +ATOM 2049 CG ARG A 269 -1.263 -4.975 -14.912 1.00 28.92 C +ATOM 2050 CD ARG A 269 -2.284 -5.986 -15.468 1.00 35.42 C +ATOM 2051 NE ARG A 269 -1.709 -6.762 -16.574 1.00 40.11 N +ATOM 2052 CZ ARG A 269 -1.395 -8.059 -16.518 1.00 41.68 C +ATOM 2053 NH1 ARG A 269 -1.631 -8.765 -15.415 1.00 42.51 N +ATOM 2054 NH2 ARG A 269 -0.860 -8.655 -17.579 1.00 42.08 N +ATOM 2055 N ALA A 270 0.987 -4.086 -11.998 1.00 24.24 N +ATOM 2056 CA ALA A 270 0.758 -3.195 -10.856 1.00 24.29 C +ATOM 2057 C ALA A 270 1.769 -2.052 -10.812 1.00 24.09 C +ATOM 2058 O ALA A 270 1.403 -0.896 -10.578 1.00 24.60 O +ATOM 2059 CB ALA A 270 0.762 -3.982 -9.523 1.00 24.52 C +ATOM 2060 N LYS A 271 3.035 -2.374 -11.067 1.00 24.07 N +ATOM 2061 CA LYS A 271 4.093 -1.374 -11.126 1.00 23.88 C +ATOM 2062 C LYS A 271 3.761 -0.253 -12.122 1.00 23.84 C +ATOM 2063 O LYS A 271 3.898 0.935 -11.811 1.00 23.62 O +ATOM 2064 CB LYS A 271 5.402 -2.044 -11.533 1.00 24.03 C +ATOM 2065 CG LYS A 271 6.563 -1.079 -11.720 1.00 25.26 C +ATOM 2066 CD LYS A 271 7.783 -1.771 -12.338 1.00 22.33 C +ATOM 2067 CE LYS A 271 7.566 -2.187 -13.809 1.00 21.63 C +ATOM 2068 NZ LYS A 271 8.778 -2.926 -14.334 1.00 23.96 N +ATOM 2069 N ARG A 272 3.330 -0.639 -13.317 1.00 23.95 N +ATOM 2070 CA ARG A 272 2.987 0.339 -14.348 1.00 23.64 C +ATOM 2071 C ARG A 272 1.868 1.257 -13.848 1.00 24.48 C +ATOM 2072 O ARG A 272 1.950 2.471 -13.994 1.00 24.61 O +ATOM 2073 CB ARG A 272 2.589 -0.351 -15.651 1.00 24.11 C +ATOM 2074 CG ARG A 272 3.733 -1.114 -16.313 1.00 24.37 C +ATOM 2075 CD ARG A 272 3.221 -1.665 -17.607 1.00 27.87 C +ATOM 2076 NE ARG A 272 4.176 -2.542 -18.263 1.00 29.30 N +ATOM 2077 CZ ARG A 272 4.690 -2.317 -19.467 1.00 28.71 C +ATOM 2078 NH1 ARG A 272 4.353 -1.227 -20.144 1.00 27.76 N +ATOM 2079 NH2 ARG A 272 5.543 -3.188 -19.988 1.00 27.62 N +ATOM 2080 N THR A 273 0.846 0.660 -13.243 1.00 24.48 N +ATOM 2081 CA THR A 273 -0.282 1.405 -12.672 1.00 25.10 C +ATOM 2082 C THR A 273 0.233 2.414 -11.645 1.00 25.13 C +ATOM 2083 O THR A 273 -0.230 3.559 -11.615 1.00 25.76 O +ATOM 2084 CB THR A 273 -1.333 0.446 -12.070 1.00 24.75 C +ATOM 2085 OG1 THR A 273 -1.941 -0.306 -13.130 1.00 25.43 O +ATOM 2086 CG2 THR A 273 -2.425 1.198 -11.305 1.00 24.51 C +ATOM 2087 N LEU A 274 1.218 2.002 -10.846 1.00 25.43 N +ATOM 2088 CA LEU A 274 1.765 2.860 -9.780 1.00 25.64 C +ATOM 2089 C LEU A 274 2.538 4.090 -10.280 1.00 25.90 C +ATOM 2090 O LEU A 274 2.862 4.971 -9.490 1.00 25.74 O +ATOM 2091 CB LEU A 274 2.613 2.047 -8.786 1.00 25.82 C +ATOM 2092 CG LEU A 274 1.914 1.032 -7.873 1.00 25.29 C +ATOM 2093 CD1 LEU A 274 2.931 0.177 -7.129 1.00 26.73 C +ATOM 2094 CD2 LEU A 274 0.981 1.722 -6.874 1.00 26.28 C +ATOM 2095 N SER A 275 2.820 4.162 -11.583 1.00 26.56 N +ATOM 2096 CA SER A 275 3.428 5.369 -12.159 1.00 26.87 C +ATOM 2097 C SER A 275 2.433 6.522 -12.335 1.00 27.75 C +ATOM 2098 O SER A 275 2.833 7.679 -12.479 1.00 28.07 O +ATOM 2099 CB SER A 275 4.124 5.058 -13.487 1.00 26.96 C +ATOM 2100 OG SER A 275 5.305 4.318 -13.249 1.00 25.90 O +ATOM 2101 N SER A 276 1.142 6.197 -12.313 1.00 28.03 N +ATOM 2102 CA SER A 276 0.091 7.185 -12.521 1.00 28.21 C +ATOM 2103 C SER A 276 -0.934 7.221 -11.374 1.00 28.00 C +ATOM 2104 O SER A 276 -1.589 8.241 -11.174 1.00 28.31 O +ATOM 2105 CB SER A 276 -0.595 6.952 -13.869 1.00 28.30 C +ATOM 2106 OG SER A 276 -1.201 5.667 -13.921 1.00 30.10 O +ATOM 2107 N SER A 277 -1.073 6.109 -10.648 1.00 27.68 N +ATOM 2108 CA SER A 277 -1.892 6.031 -9.427 1.00 27.61 C +ATOM 2109 C SER A 277 -1.028 5.781 -8.190 1.00 27.44 C +ATOM 2110 O SER A 277 0.126 5.385 -8.315 1.00 27.32 O +ATOM 2111 CB SER A 277 -2.930 4.919 -9.549 1.00 27.59 C +ATOM 2112 OG SER A 277 -3.861 5.202 -10.575 1.00 28.44 O +ATOM 2113 N THR A 278 -1.594 6.003 -7.001 1.00 27.65 N +ATOM 2114 CA THR A 278 -0.848 5.813 -5.744 1.00 27.73 C +ATOM 2115 C THR A 278 -1.091 4.452 -5.076 1.00 27.86 C +ATOM 2116 O THR A 278 -0.512 4.147 -4.026 1.00 27.54 O +ATOM 2117 CB THR A 278 -1.070 6.981 -4.736 1.00 27.83 C +ATOM 2118 OG1 THR A 278 -2.469 7.225 -4.567 1.00 27.06 O +ATOM 2119 CG2 THR A 278 -0.395 8.256 -5.226 1.00 28.18 C +ATOM 2120 N GLN A 279 -1.946 3.639 -5.690 1.00 28.13 N +ATOM 2121 CA GLN A 279 -2.140 2.245 -5.281 1.00 28.99 C +ATOM 2122 C GLN A 279 -2.531 1.377 -6.469 1.00 29.13 C +ATOM 2123 O GLN A 279 -3.027 1.879 -7.485 1.00 29.06 O +ATOM 2124 CB GLN A 279 -3.188 2.113 -4.167 1.00 29.11 C +ATOM 2125 CG GLN A 279 -4.410 2.972 -4.363 1.00 31.12 C +ATOM 2126 CD GLN A 279 -4.381 4.211 -3.491 1.00 34.20 C +ATOM 2127 OE1 GLN A 279 -3.940 5.279 -3.919 1.00 35.53 O +ATOM 2128 NE2 GLN A 279 -4.836 4.068 -2.248 1.00 34.34 N +ATOM 2129 N ALA A 280 -2.298 0.075 -6.332 1.00 29.54 N +ATOM 2130 CA ALA A 280 -2.613 -0.896 -7.370 1.00 29.99 C +ATOM 2131 C ALA A 280 -3.082 -2.204 -6.743 1.00 30.31 C +ATOM 2132 O ALA A 280 -2.575 -2.611 -5.701 1.00 30.53 O +ATOM 2133 CB ALA A 280 -1.388 -1.132 -8.269 1.00 29.89 C +ATOM 2134 N SER A 281 -4.051 -2.850 -7.385 1.00 30.97 N +ATOM 2135 CA SER A 281 -4.616 -4.102 -6.898 1.00 31.64 C +ATOM 2136 C SER A 281 -4.204 -5.285 -7.765 1.00 31.80 C +ATOM 2137 O SER A 281 -4.107 -5.162 -8.988 1.00 32.15 O +ATOM 2138 CB SER A 281 -6.136 -4.008 -6.847 1.00 31.75 C +ATOM 2139 OG SER A 281 -6.549 -3.048 -5.891 1.00 33.01 O +ATOM 2140 N ILE A 282 -3.973 -6.426 -7.120 1.00 31.62 N +ATOM 2141 CA ILE A 282 -3.575 -7.652 -7.811 1.00 31.44 C +ATOM 2142 C ILE A 282 -4.610 -8.757 -7.606 1.00 31.42 C +ATOM 2143 O ILE A 282 -5.045 -9.005 -6.483 1.00 31.66 O +ATOM 2144 CB ILE A 282 -2.146 -8.092 -7.392 1.00 31.35 C +ATOM 2145 CG1 ILE A 282 -1.120 -7.143 -8.027 1.00 31.28 C +ATOM 2146 CG2 ILE A 282 -1.857 -9.549 -7.792 1.00 30.76 C +ATOM 2147 CD1 ILE A 282 0.270 -7.224 -7.459 1.00 29.80 C +ATOM 2148 N GLU A 283 -5.012 -9.393 -8.705 1.00 31.46 N +ATOM 2149 CA GLU A 283 -5.980 -10.491 -8.679 1.00 31.60 C +ATOM 2150 C GLU A 283 -5.489 -11.671 -9.530 1.00 30.97 C +ATOM 2151 O GLU A 283 -5.407 -11.557 -10.757 1.00 30.82 O +ATOM 2152 CB GLU A 283 -7.364 -10.024 -9.179 1.00 31.89 C +ATOM 2153 CG GLU A 283 -8.120 -9.063 -8.246 1.00 33.82 C +ATOM 2154 CD GLU A 283 -8.328 -7.649 -8.817 1.00 35.98 C +ATOM 2155 OE1 GLU A 283 -7.899 -7.360 -9.962 1.00 37.16 O +ATOM 2156 OE2 GLU A 283 -8.947 -6.819 -8.107 1.00 36.65 O +ATOM 2157 N ILE A 284 -5.157 -12.790 -8.881 1.00 30.19 N +ATOM 2158 CA ILE A 284 -4.720 -14.005 -9.592 1.00 29.47 C +ATOM 2159 C ILE A 284 -5.605 -15.210 -9.257 1.00 29.23 C +ATOM 2160 O ILE A 284 -5.721 -15.589 -8.093 1.00 28.89 O +ATOM 2161 CB ILE A 284 -3.222 -14.362 -9.310 1.00 29.45 C +ATOM 2162 CG1 ILE A 284 -2.305 -13.162 -9.583 1.00 29.27 C +ATOM 2163 CG2 ILE A 284 -2.790 -15.558 -10.159 1.00 29.21 C +ATOM 2164 CD1 ILE A 284 -0.913 -13.267 -8.963 1.00 29.69 C +ATOM 2165 N ASP A 285 -6.227 -15.803 -10.281 1.00 29.03 N +ATOM 2166 CA ASP A 285 -7.043 -17.010 -10.098 1.00 28.80 C +ATOM 2167 C ASP A 285 -6.148 -18.231 -9.875 1.00 28.33 C +ATOM 2168 O ASP A 285 -5.257 -18.512 -10.685 1.00 28.24 O +ATOM 2169 CB ASP A 285 -7.943 -17.271 -11.316 1.00 29.20 C +ATOM 2170 CG ASP A 285 -8.917 -16.126 -11.611 1.00 30.17 C +ATOM 2171 OD1 ASP A 285 -9.255 -15.346 -10.692 1.00 31.73 O +ATOM 2172 OD2 ASP A 285 -9.363 -16.027 -12.777 1.00 30.56 O +ATOM 2173 N SER A 286 -6.389 -18.945 -8.774 1.00 28.05 N +ATOM 2174 CA SER A 286 -5.740 -20.225 -8.492 1.00 27.40 C +ATOM 2175 C SER A 286 -4.223 -20.153 -8.675 1.00 27.28 C +ATOM 2176 O SER A 286 -3.649 -20.860 -9.521 1.00 26.90 O +ATOM 2177 CB SER A 286 -6.352 -21.327 -9.369 1.00 27.63 C +ATOM 2178 OG SER A 286 -5.951 -22.618 -8.940 1.00 28.45 O +ATOM 2179 N LEU A 287 -3.586 -19.284 -7.889 1.00 26.52 N +ATOM 2180 CA LEU A 287 -2.147 -19.034 -8.013 1.00 26.54 C +ATOM 2181 C LEU A 287 -1.353 -20.276 -7.635 1.00 26.20 C +ATOM 2182 O LEU A 287 -0.395 -20.637 -8.318 1.00 25.95 O +ATOM 2183 CB LEU A 287 -1.709 -17.838 -7.153 1.00 26.32 C +ATOM 2184 CG LEU A 287 -0.206 -17.499 -7.123 1.00 27.11 C +ATOM 2185 CD1 LEU A 287 0.309 -17.118 -8.509 1.00 27.17 C +ATOM 2186 CD2 LEU A 287 0.106 -16.408 -6.103 1.00 26.80 C +ATOM 2187 N TYR A 288 -1.772 -20.931 -6.552 1.00 26.02 N +ATOM 2188 CA TYR A 288 -1.051 -22.083 -6.028 1.00 25.88 C +ATOM 2189 C TYR A 288 -1.966 -23.001 -5.223 1.00 25.78 C +ATOM 2190 O TYR A 288 -2.599 -22.565 -4.258 1.00 25.23 O +ATOM 2191 CB TYR A 288 0.120 -21.613 -5.160 1.00 26.14 C +ATOM 2192 CG TYR A 288 1.035 -22.722 -4.694 1.00 26.44 C +ATOM 2193 CD1 TYR A 288 1.833 -23.423 -5.602 1.00 26.71 C +ATOM 2194 CD2 TYR A 288 1.112 -23.064 -3.342 1.00 27.40 C +ATOM 2195 CE1 TYR A 288 2.672 -24.442 -5.179 1.00 27.05 C +ATOM 2196 CE2 TYR A 288 1.953 -24.079 -2.906 1.00 27.28 C +ATOM 2197 CZ TYR A 288 2.732 -24.762 -3.831 1.00 27.53 C +ATOM 2198 OH TYR A 288 3.568 -25.768 -3.409 1.00 27.48 O +ATOM 2199 N GLU A 289 -2.011 -24.268 -5.635 1.00 25.56 N +ATOM 2200 CA GLU A 289 -2.843 -25.303 -5.007 1.00 26.00 C +ATOM 2201 C GLU A 289 -4.287 -24.847 -4.729 1.00 25.87 C +ATOM 2202 O GLU A 289 -4.774 -24.918 -3.595 1.00 25.78 O +ATOM 2203 CB GLU A 289 -2.160 -25.857 -3.746 1.00 26.03 C +ATOM 2204 CG GLU A 289 -0.813 -26.528 -4.029 1.00 26.53 C +ATOM 2205 CD GLU A 289 -0.078 -26.970 -2.771 1.00 27.01 C +ATOM 2206 OE1 GLU A 289 -0.610 -26.787 -1.656 1.00 26.49 O +ATOM 2207 OE2 GLU A 289 1.046 -27.499 -2.901 1.00 27.57 O +ATOM 2208 N GLY A 290 -4.946 -24.356 -5.778 1.00 26.01 N +ATOM 2209 CA GLY A 290 -6.354 -23.951 -5.716 1.00 25.99 C +ATOM 2210 C GLY A 290 -6.670 -22.619 -5.049 1.00 25.98 C +ATOM 2211 O GLY A 290 -7.837 -22.216 -4.995 1.00 26.02 O +ATOM 2212 N ILE A 291 -5.645 -21.931 -4.548 1.00 25.99 N +ATOM 2213 CA ILE A 291 -5.848 -20.688 -3.801 1.00 26.25 C +ATOM 2214 C ILE A 291 -5.762 -19.448 -4.686 1.00 26.58 C +ATOM 2215 O ILE A 291 -4.737 -19.201 -5.321 1.00 26.85 O +ATOM 2216 CB ILE A 291 -4.863 -20.559 -2.607 1.00 26.13 C +ATOM 2217 CG1 ILE A 291 -5.065 -21.722 -1.629 1.00 25.96 C +ATOM 2218 CG2 ILE A 291 -5.030 -19.208 -1.904 1.00 26.16 C +ATOM 2219 CD1 ILE A 291 -4.327 -21.592 -0.298 1.00 26.47 C +ATOM 2220 N ASP A 292 -6.848 -18.678 -4.718 1.00 26.99 N +ATOM 2221 CA ASP A 292 -6.872 -17.374 -5.378 1.00 27.73 C +ATOM 2222 C ASP A 292 -6.063 -16.349 -4.566 1.00 28.35 C +ATOM 2223 O ASP A 292 -6.150 -16.315 -3.339 1.00 28.29 O +ATOM 2224 CB ASP A 292 -8.318 -16.887 -5.551 1.00 27.38 C +ATOM 2225 CG ASP A 292 -9.154 -17.789 -6.467 1.00 27.51 C +ATOM 2226 OD1 ASP A 292 -8.613 -18.381 -7.422 1.00 26.13 O +ATOM 2227 OD2 ASP A 292 -10.377 -17.901 -6.228 1.00 29.43 O +ATOM 2228 N PHE A 293 -5.271 -15.525 -5.250 1.00 29.39 N +ATOM 2229 CA PHE A 293 -4.480 -14.491 -4.574 1.00 30.33 C +ATOM 2230 C PHE A 293 -4.999 -13.104 -4.919 1.00 31.02 C +ATOM 2231 O PHE A 293 -4.980 -12.691 -6.079 1.00 30.80 O +ATOM 2232 CB PHE A 293 -2.987 -14.608 -4.926 1.00 30.48 C +ATOM 2233 CG PHE A 293 -2.095 -13.640 -4.169 1.00 30.69 C +ATOM 2234 CD1 PHE A 293 -2.122 -13.580 -2.772 1.00 30.74 C +ATOM 2235 CD2 PHE A 293 -1.213 -12.803 -4.856 1.00 31.16 C +ATOM 2236 CE1 PHE A 293 -1.296 -12.690 -2.072 1.00 30.18 C +ATOM 2237 CE2 PHE A 293 -0.379 -11.914 -4.162 1.00 30.53 C +ATOM 2238 CZ PHE A 293 -0.420 -11.860 -2.776 1.00 30.49 C +ATOM 2239 N TYR A 294 -5.473 -12.398 -3.898 1.00 31.67 N +ATOM 2240 CA TYR A 294 -5.930 -11.021 -4.056 1.00 32.34 C +ATOM 2241 C TYR A 294 -5.214 -10.132 -3.049 1.00 32.10 C +ATOM 2242 O TYR A 294 -5.107 -10.480 -1.872 1.00 32.18 O +ATOM 2243 CB TYR A 294 -7.452 -10.927 -3.882 1.00 33.05 C +ATOM 2244 CG TYR A 294 -8.222 -11.893 -4.757 1.00 34.13 C +ATOM 2245 CD1 TYR A 294 -8.120 -11.829 -6.146 1.00 35.55 C +ATOM 2246 CD2 TYR A 294 -9.049 -12.870 -4.198 1.00 36.35 C +ATOM 2247 CE1 TYR A 294 -8.812 -12.707 -6.965 1.00 36.88 C +ATOM 2248 CE2 TYR A 294 -9.762 -13.761 -5.010 1.00 37.24 C +ATOM 2249 CZ TYR A 294 -9.631 -13.670 -6.396 1.00 37.36 C +ATOM 2250 OH TYR A 294 -10.318 -14.532 -7.225 1.00 37.33 O +ATOM 2251 N THR A 295 -4.712 -8.993 -3.519 1.00 31.70 N +ATOM 2252 CA THR A 295 -4.007 -8.057 -2.650 1.00 31.28 C +ATOM 2253 C THR A 295 -3.885 -6.666 -3.267 1.00 31.20 C +ATOM 2254 O THR A 295 -4.304 -6.435 -4.406 1.00 30.87 O +ATOM 2255 CB THR A 295 -2.600 -8.582 -2.262 1.00 31.51 C +ATOM 2256 OG1 THR A 295 -2.048 -7.760 -1.224 1.00 31.28 O +ATOM 2257 CG2 THR A 295 -1.660 -8.604 -3.467 1.00 31.71 C +ATOM 2258 N SER A 296 -3.301 -5.757 -2.492 1.00 30.92 N +ATOM 2259 CA SER A 296 -3.109 -4.371 -2.876 1.00 31.23 C +ATOM 2260 C SER A 296 -1.682 -3.953 -2.527 1.00 30.77 C +ATOM 2261 O SER A 296 -1.061 -4.546 -1.643 1.00 31.15 O +ATOM 2262 CB SER A 296 -4.118 -3.491 -2.130 1.00 31.44 C +ATOM 2263 OG SER A 296 -4.053 -2.141 -2.564 1.00 33.41 O +ATOM 2264 N ILE A 297 -1.159 -2.956 -3.240 1.00 29.89 N +ATOM 2265 CA ILE A 297 0.125 -2.339 -2.895 1.00 28.98 C +ATOM 2266 C ILE A 297 0.102 -0.839 -3.202 1.00 28.53 C +ATOM 2267 O ILE A 297 -0.495 -0.413 -4.196 1.00 28.44 O +ATOM 2268 CB ILE A 297 1.335 -3.052 -3.589 1.00 29.11 C +ATOM 2269 CG1 ILE A 297 2.668 -2.535 -3.021 1.00 29.20 C +ATOM 2270 CG2 ILE A 297 1.260 -2.928 -5.117 1.00 28.88 C +ATOM 2271 CD1 ILE A 297 3.895 -3.352 -3.426 1.00 29.31 C +ATOM 2272 N THR A 298 0.740 -0.049 -2.339 1.00 27.86 N +ATOM 2273 CA THR A 298 0.799 1.404 -2.498 1.00 27.56 C +ATOM 2274 C THR A 298 2.068 1.828 -3.232 1.00 27.78 C +ATOM 2275 O THR A 298 3.050 1.070 -3.275 1.00 27.54 O +ATOM 2276 CB THR A 298 0.748 2.135 -1.138 1.00 27.62 C +ATOM 2277 OG1 THR A 298 1.926 1.823 -0.381 1.00 27.10 O +ATOM 2278 CG2 THR A 298 -0.510 1.749 -0.344 1.00 27.48 C +ATOM 2279 N ARG A 299 2.049 3.034 -3.806 1.00 27.61 N +ATOM 2280 CA ARG A 299 3.238 3.601 -4.443 1.00 27.97 C +ATOM 2281 C ARG A 299 4.363 3.716 -3.414 1.00 27.97 C +ATOM 2282 O ARG A 299 5.520 3.405 -3.714 1.00 28.10 O +ATOM 2283 CB ARG A 299 2.950 4.965 -5.090 1.00 27.74 C +ATOM 2284 CG ARG A 299 4.164 5.586 -5.794 1.00 28.53 C +ATOM 2285 CD ARG A 299 3.888 6.984 -6.341 1.00 28.06 C +ATOM 2286 NE ARG A 299 2.921 6.988 -7.440 1.00 26.22 N +ATOM 2287 CZ ARG A 299 2.475 8.090 -8.040 1.00 27.98 C +ATOM 2288 NH1 ARG A 299 2.917 9.283 -7.658 1.00 26.94 N +ATOM 2289 NH2 ARG A 299 1.589 8.003 -9.030 1.00 25.59 N +ATOM 2290 N ALA A 300 4.007 4.156 -2.206 1.00 28.07 N +ATOM 2291 CA ALA A 300 4.949 4.261 -1.089 1.00 27.89 C +ATOM 2292 C ALA A 300 5.678 2.941 -0.831 1.00 27.72 C +ATOM 2293 O ALA A 300 6.905 2.916 -0.742 1.00 27.94 O +ATOM 2294 CB ALA A 300 4.230 4.741 0.175 1.00 27.93 C +ATOM 2295 N ARG A 301 4.919 1.849 -0.740 1.00 27.64 N +ATOM 2296 CA ARG A 301 5.479 0.530 -0.454 1.00 27.65 C +ATOM 2297 C ARG A 301 6.378 0.030 -1.590 1.00 27.47 C +ATOM 2298 O ARG A 301 7.428 -0.556 -1.335 1.00 27.00 O +ATOM 2299 CB ARG A 301 4.366 -0.478 -0.161 1.00 27.87 C +ATOM 2300 CG ARG A 301 4.838 -1.771 0.487 1.00 29.14 C +ATOM 2301 CD ARG A 301 5.107 -1.585 1.976 1.00 31.93 C +ATOM 2302 NE ARG A 301 5.811 -2.735 2.539 1.00 33.91 N +ATOM 2303 CZ ARG A 301 7.129 -2.814 2.697 1.00 34.85 C +ATOM 2304 NH1 ARG A 301 7.915 -1.802 2.347 1.00 35.98 N +ATOM 2305 NH2 ARG A 301 7.664 -3.912 3.212 1.00 35.12 N +ATOM 2306 N PHE A 302 5.962 0.265 -2.834 1.00 27.31 N +ATOM 2307 CA PHE A 302 6.771 -0.071 -4.005 1.00 27.79 C +ATOM 2308 C PHE A 302 8.126 0.652 -3.997 1.00 27.78 C +ATOM 2309 O PHE A 302 9.171 0.031 -4.217 1.00 28.13 O +ATOM 2310 CB PHE A 302 5.998 0.259 -5.283 1.00 27.27 C +ATOM 2311 CG PHE A 302 6.824 0.163 -6.542 1.00 27.81 C +ATOM 2312 CD1 PHE A 302 7.240 -1.077 -7.024 1.00 27.88 C +ATOM 2313 CD2 PHE A 302 7.181 1.314 -7.245 1.00 28.10 C +ATOM 2314 CE1 PHE A 302 8.000 -1.172 -8.200 1.00 28.95 C +ATOM 2315 CE2 PHE A 302 7.939 1.227 -8.416 1.00 27.24 C +ATOM 2316 CZ PHE A 302 8.357 -0.022 -8.885 1.00 28.66 C +ATOM 2317 N GLU A 303 8.093 1.961 -3.743 1.00 27.90 N +ATOM 2318 CA GLU A 303 9.305 2.777 -3.642 1.00 27.85 C +ATOM 2319 C GLU A 303 10.253 2.294 -2.548 1.00 28.08 C +ATOM 2320 O GLU A 303 11.471 2.260 -2.741 1.00 28.56 O +ATOM 2321 CB GLU A 303 8.945 4.240 -3.397 1.00 27.67 C +ATOM 2322 CG GLU A 303 8.329 4.938 -4.597 1.00 27.44 C +ATOM 2323 CD GLU A 303 7.611 6.221 -4.222 1.00 27.87 C +ATOM 2324 OE1 GLU A 303 7.369 6.445 -3.013 1.00 28.93 O +ATOM 2325 OE2 GLU A 303 7.286 6.997 -5.144 1.00 27.36 O +ATOM 2326 N GLU A 304 9.686 1.924 -1.405 1.00 27.93 N +ATOM 2327 CA GLU A 304 10.462 1.404 -0.280 1.00 28.29 C +ATOM 2328 C GLU A 304 11.170 0.102 -0.636 1.00 28.01 C +ATOM 2329 O GLU A 304 12.353 -0.076 -0.313 1.00 27.56 O +ATOM 2330 CB GLU A 304 9.548 1.183 0.925 1.00 28.28 C +ATOM 2331 CG GLU A 304 9.080 2.470 1.580 1.00 29.84 C +ATOM 2332 CD GLU A 304 7.838 2.295 2.436 1.00 30.47 C +ATOM 2333 OE1 GLU A 304 7.498 1.144 2.804 1.00 30.48 O +ATOM 2334 OE2 GLU A 304 7.198 3.325 2.741 1.00 30.72 O +ATOM 2335 N LEU A 305 10.436 -0.799 -1.291 1.00 27.62 N +ATOM 2336 CA LEU A 305 10.957 -2.117 -1.666 1.00 27.31 C +ATOM 2337 C LEU A 305 12.160 -2.006 -2.608 1.00 27.27 C +ATOM 2338 O LEU A 305 12.997 -2.908 -2.651 1.00 27.04 O +ATOM 2339 CB LEU A 305 9.849 -2.991 -2.290 1.00 27.25 C +ATOM 2340 CG LEU A 305 8.731 -3.524 -1.374 1.00 26.57 C +ATOM 2341 CD1 LEU A 305 7.580 -4.075 -2.187 1.00 26.84 C +ATOM 2342 CD2 LEU A 305 9.239 -4.592 -0.404 1.00 25.39 C +ATOM 2343 N ASN A 306 12.238 -0.876 -3.317 1.00 27.19 N +ATOM 2344 CA ASN A 306 13.251 -0.604 -4.348 1.00 27.00 C +ATOM 2345 C ASN A 306 14.161 0.591 -4.033 1.00 26.74 C +ATOM 2346 O ASN A 306 14.867 1.089 -4.919 1.00 27.18 O +ATOM 2347 CB ASN A 306 12.554 -0.350 -5.698 1.00 26.99 C +ATOM 2348 CG ASN A 306 11.865 -1.585 -6.252 1.00 28.26 C +ATOM 2349 OD1 ASN A 306 10.628 -1.651 -6.330 1.00 29.30 O +ATOM 2350 ND2 ASN A 306 12.655 -2.564 -6.649 1.00 26.09 N +ATOM 2351 N ALA A 307 14.135 1.046 -2.780 1.00 26.88 N +ATOM 2352 CA ALA A 307 14.814 2.279 -2.358 1.00 26.73 C +ATOM 2353 C ALA A 307 16.300 2.350 -2.734 1.00 26.60 C +ATOM 2354 O ALA A 307 16.755 3.350 -3.302 1.00 26.71 O +ATOM 2355 CB ALA A 307 14.627 2.496 -0.854 1.00 26.59 C +ATOM 2356 N ASP A 308 17.036 1.284 -2.423 1.00 26.24 N +ATOM 2357 CA ASP A 308 18.463 1.176 -2.748 1.00 26.42 C +ATOM 2358 C ASP A 308 18.749 1.220 -4.249 1.00 26.43 C +ATOM 2359 O ASP A 308 19.616 1.980 -4.695 1.00 25.97 O +ATOM 2360 CB ASP A 308 19.069 -0.091 -2.121 1.00 26.95 C +ATOM 2361 CG ASP A 308 18.275 -1.355 -2.437 1.00 27.90 C +ATOM 2362 OD1 ASP A 308 17.083 -1.271 -2.812 1.00 29.56 O +ATOM 2363 OD2 ASP A 308 18.857 -2.449 -2.309 1.00 28.96 O +ATOM 2364 N LEU A 309 18.009 0.415 -5.014 1.00 26.06 N +ATOM 2365 CA LEU A 309 18.156 0.365 -6.473 1.00 26.39 C +ATOM 2366 C LEU A 309 17.874 1.722 -7.128 1.00 26.74 C +ATOM 2367 O LEU A 309 18.589 2.110 -8.048 1.00 27.25 O +ATOM 2368 CB LEU A 309 17.289 -0.752 -7.083 1.00 26.29 C +ATOM 2369 CG LEU A 309 17.523 -2.175 -6.537 1.00 26.86 C +ATOM 2370 CD1 LEU A 309 16.524 -3.169 -7.145 1.00 26.34 C +ATOM 2371 CD2 LEU A 309 18.970 -2.671 -6.742 1.00 26.84 C +ATOM 2372 N PHE A 310 16.865 2.454 -6.637 1.00 26.90 N +ATOM 2373 CA PHE A 310 16.517 3.763 -7.227 1.00 27.16 C +ATOM 2374 C PHE A 310 17.603 4.823 -6.983 1.00 27.23 C +ATOM 2375 O PHE A 310 18.074 5.450 -7.923 1.00 27.48 O +ATOM 2376 CB PHE A 310 15.152 4.303 -6.743 1.00 27.17 C +ATOM 2377 CG PHE A 310 13.938 3.535 -7.239 1.00 27.06 C +ATOM 2378 CD1 PHE A 310 14.030 2.584 -8.253 1.00 26.87 C +ATOM 2379 CD2 PHE A 310 12.684 3.807 -6.690 1.00 27.76 C +ATOM 2380 CE1 PHE A 310 12.894 1.895 -8.699 1.00 28.18 C +ATOM 2381 CE2 PHE A 310 11.539 3.137 -7.127 1.00 27.81 C +ATOM 2382 CZ PHE A 310 11.647 2.171 -8.136 1.00 26.12 C +ATOM 2383 N ARG A 311 17.996 5.029 -5.725 1.00 28.08 N +ATOM 2384 CA ARG A 311 19.022 6.038 -5.420 1.00 27.99 C +ATOM 2385 C ARG A 311 20.383 5.687 -6.038 1.00 27.90 C +ATOM 2386 O ARG A 311 21.155 6.579 -6.384 1.00 27.53 O +ATOM 2387 CB ARG A 311 19.132 6.327 -3.911 1.00 28.62 C +ATOM 2388 CG ARG A 311 19.459 5.142 -3.026 1.00 29.98 C +ATOM 2389 CD ARG A 311 19.569 5.579 -1.553 1.00 32.80 C +ATOM 2390 NE ARG A 311 19.507 4.438 -0.642 1.00 34.44 N +ATOM 2391 CZ ARG A 311 18.430 4.087 0.056 1.00 36.03 C +ATOM 2392 NH1 ARG A 311 17.310 4.799 -0.027 1.00 36.21 N +ATOM 2393 NH2 ARG A 311 18.477 3.026 0.854 1.00 36.75 N +ATOM 2394 N GLY A 312 20.647 4.387 -6.192 1.00 27.68 N +ATOM 2395 CA GLY A 312 21.875 3.890 -6.818 1.00 27.89 C +ATOM 2396 C GLY A 312 22.077 4.299 -8.271 1.00 27.98 C +ATOM 2397 O GLY A 312 23.205 4.267 -8.768 1.00 27.78 O +ATOM 2398 N THR A 313 20.992 4.687 -8.951 1.00 27.56 N +ATOM 2399 CA THR A 313 21.058 5.124 -10.352 1.00 27.95 C +ATOM 2400 C THR A 313 21.859 6.417 -10.497 1.00 27.76 C +ATOM 2401 O THR A 313 22.310 6.744 -11.587 1.00 28.12 O +ATOM 2402 CB THR A 313 19.647 5.317 -11.020 1.00 27.50 C +ATOM 2403 OG1 THR A 313 18.927 6.388 -10.384 1.00 28.11 O +ATOM 2404 CG2 THR A 313 18.819 4.031 -10.993 1.00 27.01 C +ATOM 2405 N LEU A 314 22.032 7.150 -9.400 1.00 28.13 N +ATOM 2406 CA LEU A 314 22.758 8.425 -9.449 1.00 28.02 C +ATOM 2407 C LEU A 314 24.284 8.264 -9.528 1.00 28.21 C +ATOM 2408 O LEU A 314 24.983 9.160 -10.006 1.00 27.71 O +ATOM 2409 CB LEU A 314 22.346 9.344 -8.287 1.00 28.27 C +ATOM 2410 CG LEU A 314 20.856 9.717 -8.228 1.00 28.17 C +ATOM 2411 CD1 LEU A 314 20.545 10.566 -6.993 1.00 29.26 C +ATOM 2412 CD2 LEU A 314 20.392 10.426 -9.510 1.00 29.59 C +ATOM 2413 N ASP A 315 24.793 7.115 -9.092 1.00 28.42 N +ATOM 2414 CA ASP A 315 26.240 6.869 -9.134 1.00 28.73 C +ATOM 2415 C ASP A 315 26.788 6.818 -10.568 1.00 28.32 C +ATOM 2416 O ASP A 315 27.768 7.502 -10.859 1.00 28.06 O +ATOM 2417 CB ASP A 315 26.631 5.623 -8.323 1.00 28.97 C +ATOM 2418 CG ASP A 315 26.253 5.735 -6.853 1.00 31.66 C +ATOM 2419 OD1 ASP A 315 26.496 6.798 -6.238 1.00 34.02 O +ATOM 2420 OD2 ASP A 315 25.722 4.747 -6.302 1.00 35.51 O +ATOM 2421 N PRO A 316 26.173 6.010 -11.468 1.00 28.13 N +ATOM 2422 CA PRO A 316 26.612 6.092 -12.868 1.00 28.11 C +ATOM 2423 C PRO A 316 26.482 7.487 -13.487 1.00 28.07 C +ATOM 2424 O PRO A 316 27.267 7.831 -14.363 1.00 28.46 O +ATOM 2425 CB PRO A 316 25.710 5.072 -13.573 1.00 28.69 C +ATOM 2426 CG PRO A 316 25.444 4.057 -12.490 1.00 28.46 C +ATOM 2427 CD PRO A 316 25.163 4.949 -11.305 1.00 28.26 C +ATOM 2428 N VAL A 317 25.524 8.289 -13.027 1.00 27.62 N +ATOM 2429 CA VAL A 317 25.420 9.686 -13.480 1.00 27.37 C +ATOM 2430 C VAL A 317 26.683 10.486 -13.089 1.00 27.30 C +ATOM 2431 O VAL A 317 27.293 11.168 -13.920 1.00 26.67 O +ATOM 2432 CB VAL A 317 24.137 10.389 -12.937 1.00 27.61 C +ATOM 2433 CG1 VAL A 317 24.174 11.889 -13.230 1.00 26.81 C +ATOM 2434 CG2 VAL A 317 22.867 9.744 -13.519 1.00 27.63 C +ATOM 2435 N GLU A 318 27.071 10.380 -11.823 1.00 27.19 N +ATOM 2436 CA GLU A 318 28.308 11.000 -11.332 1.00 27.37 C +ATOM 2437 C GLU A 318 29.549 10.518 -12.089 1.00 27.22 C +ATOM 2438 O GLU A 318 30.412 11.319 -12.458 1.00 27.14 O +ATOM 2439 CB GLU A 318 28.483 10.721 -9.844 1.00 27.60 C +ATOM 2440 CG GLU A 318 27.446 11.389 -8.969 1.00 29.59 C +ATOM 2441 CD GLU A 318 27.813 11.352 -7.502 1.00 31.73 C +ATOM 2442 OE1 GLU A 318 28.188 10.267 -6.997 1.00 32.71 O +ATOM 2443 OE2 GLU A 318 27.728 12.416 -6.849 1.00 33.38 O +ATOM 2444 N LYS A 319 29.635 9.206 -12.297 1.00 27.11 N +ATOM 2445 CA LYS A 319 30.750 8.595 -13.022 1.00 27.41 C +ATOM 2446 C LYS A 319 30.838 9.092 -14.467 1.00 27.02 C +ATOM 2447 O LYS A 319 31.925 9.431 -14.938 1.00 26.77 O +ATOM 2448 CB LYS A 319 30.668 7.065 -12.971 1.00 27.70 C +ATOM 2449 CG LYS A 319 31.878 6.351 -13.564 1.00 29.09 C +ATOM 2450 CD LYS A 319 32.120 5.001 -12.898 1.00 32.45 C +ATOM 2451 CE LYS A 319 33.519 4.452 -13.225 1.00 33.37 C +ATOM 2452 NZ LYS A 319 33.662 3.979 -14.631 1.00 34.66 N +ATOM 2453 N ALA A 320 29.697 9.145 -15.157 1.00 27.12 N +ATOM 2454 CA ALA A 320 29.655 9.670 -16.522 1.00 26.99 C +ATOM 2455 C ALA A 320 30.135 11.121 -16.580 1.00 27.11 C +ATOM 2456 O ALA A 320 30.897 11.493 -17.474 1.00 26.79 O +ATOM 2457 CB ALA A 320 28.257 9.540 -17.109 1.00 27.29 C +ATOM 2458 N LEU A 321 29.680 11.930 -15.625 1.00 27.03 N +ATOM 2459 CA LEU A 321 30.041 13.350 -15.553 1.00 27.76 C +ATOM 2460 C LEU A 321 31.538 13.585 -15.364 1.00 28.18 C +ATOM 2461 O LEU A 321 32.113 14.494 -15.976 1.00 28.18 O +ATOM 2462 CB LEU A 321 29.241 14.063 -14.456 1.00 27.67 C +ATOM 2463 CG LEU A 321 27.783 14.428 -14.779 1.00 27.95 C +ATOM 2464 CD1 LEU A 321 27.041 14.882 -13.530 1.00 27.33 C +ATOM 2465 CD2 LEU A 321 27.691 15.491 -15.870 1.00 28.56 C +ATOM 2466 N ARG A 322 32.175 12.775 -14.524 1.00 28.77 N +ATOM 2467 CA ARG A 322 33.609 12.951 -14.294 1.00 29.13 C +ATOM 2468 C ARG A 322 34.456 12.438 -15.465 1.00 29.11 C +ATOM 2469 O ARG A 322 35.458 13.060 -15.817 1.00 29.02 O +ATOM 2470 CB ARG A 322 34.055 12.404 -12.927 1.00 29.82 C +ATOM 2471 CG ARG A 322 34.414 10.922 -12.846 1.00 30.87 C +ATOM 2472 CD ARG A 322 34.958 10.591 -11.449 1.00 32.42 C +ATOM 2473 NE ARG A 322 33.872 10.441 -10.482 1.00 34.61 N +ATOM 2474 CZ ARG A 322 33.266 9.289 -10.203 1.00 35.19 C +ATOM 2475 NH1 ARG A 322 33.648 8.169 -10.804 1.00 35.33 N +ATOM 2476 NH2 ARG A 322 32.280 9.255 -9.315 1.00 35.04 N +ATOM 2477 N ASP A 323 34.022 11.338 -16.088 1.00 28.79 N +ATOM 2478 CA ASP A 323 34.675 10.816 -17.289 1.00 28.76 C +ATOM 2479 C ASP A 323 34.585 11.778 -18.468 1.00 28.57 C +ATOM 2480 O ASP A 323 35.523 11.876 -19.264 1.00 28.20 O +ATOM 2481 CB ASP A 323 34.124 9.438 -17.663 1.00 29.29 C +ATOM 2482 CG ASP A 323 34.516 8.366 -16.664 1.00 30.16 C +ATOM 2483 OD1 ASP A 323 35.242 8.681 -15.694 1.00 31.53 O +ATOM 2484 OD2 ASP A 323 34.100 7.204 -16.852 1.00 31.59 O +ATOM 2485 N ALA A 324 33.469 12.498 -18.561 1.00 28.51 N +ATOM 2486 CA ALA A 324 33.284 13.529 -19.588 1.00 28.76 C +ATOM 2487 C ALA A 324 33.970 14.846 -19.200 1.00 28.97 C +ATOM 2488 O ALA A 324 34.038 15.789 -20.006 1.00 28.82 O +ATOM 2489 CB ALA A 324 31.807 13.749 -19.853 1.00 28.51 C +ATOM 2490 N LYS A 325 34.480 14.894 -17.967 1.00 29.18 N +ATOM 2491 CA LYS A 325 35.159 16.072 -17.411 1.00 29.45 C +ATOM 2492 C LYS A 325 34.237 17.291 -17.361 1.00 29.54 C +ATOM 2493 O LYS A 325 34.632 18.408 -17.708 1.00 29.83 O +ATOM 2494 CB LYS A 325 36.448 16.381 -18.181 1.00 29.65 C +ATOM 2495 CG LYS A 325 37.447 15.244 -18.208 1.00 30.19 C +ATOM 2496 CD LYS A 325 38.676 15.638 -19.006 1.00 32.08 C +ATOM 2497 CE LYS A 325 39.713 14.532 -19.000 1.00 33.01 C +ATOM 2498 NZ LYS A 325 41.012 15.021 -19.544 1.00 33.91 N +ATOM 2499 N LEU A 326 33.010 17.062 -16.910 1.00 29.50 N +ATOM 2500 CA LEU A 326 31.993 18.097 -16.842 1.00 29.73 C +ATOM 2501 C LEU A 326 31.384 18.164 -15.451 1.00 30.05 C +ATOM 2502 O LEU A 326 31.192 17.134 -14.799 1.00 30.42 O +ATOM 2503 CB LEU A 326 30.877 17.806 -17.852 1.00 29.69 C +ATOM 2504 CG LEU A 326 31.150 17.894 -19.354 1.00 29.05 C +ATOM 2505 CD1 LEU A 326 30.010 17.229 -20.121 1.00 28.98 C +ATOM 2506 CD2 LEU A 326 31.320 19.348 -19.788 1.00 28.36 C +ATOM 2507 N ASP A 327 31.072 19.379 -15.009 1.00 30.21 N +ATOM 2508 CA ASP A 327 30.253 19.584 -13.824 1.00 30.75 C +ATOM 2509 C ASP A 327 28.785 19.394 -14.203 1.00 30.75 C +ATOM 2510 O ASP A 327 28.425 19.515 -15.382 1.00 30.84 O +ATOM 2511 CB ASP A 327 30.470 20.985 -13.245 1.00 30.92 C +ATOM 2512 CG ASP A 327 29.744 21.186 -11.924 1.00 32.40 C +ATOM 2513 OD1 ASP A 327 30.034 20.427 -10.965 1.00 34.39 O +ATOM 2514 OD2 ASP A 327 28.885 22.100 -11.843 1.00 33.25 O +ATOM 2515 N LYS A 328 27.934 19.101 -13.214 1.00 30.91 N +ATOM 2516 CA LYS A 328 26.489 18.973 -13.469 1.00 31.33 C +ATOM 2517 C LYS A 328 25.831 20.260 -13.903 1.00 31.13 C +ATOM 2518 O LYS A 328 24.789 20.184 -14.550 1.00 31.90 O +ATOM 2519 CB LYS A 328 25.773 18.330 -12.260 1.00 31.37 C +ATOM 2520 CG LYS A 328 25.761 19.175 -10.989 1.00 31.58 C +ATOM 2521 CD LYS A 328 24.882 18.571 -9.905 1.00 32.86 C +ATOM 2522 CE LYS A 328 25.648 17.606 -9.012 1.00 33.48 C +ATOM 2523 NZ LYS A 328 24.926 17.369 -7.710 1.00 34.33 N +ATOM 2524 N SER A 329 26.440 21.457 -13.547 1.00 31.62 N +ATOM 2525 CA SER A 329 25.943 22.702 -14.017 1.00 30.89 C +ATOM 2526 C SER A 329 26.261 23.014 -15.497 1.00 30.92 C +ATOM 2527 O SER A 329 25.738 23.948 -16.129 1.00 30.90 O +ATOM 2528 CB SER A 329 26.473 23.883 -13.125 1.00 31.61 C +ATOM 2529 OG SER A 329 27.879 24.032 -13.252 1.00 30.58 O +ATOM 2530 N GLN A 330 27.099 22.147 -16.067 1.00 30.55 N +ATOM 2531 CA GLN A 330 27.538 22.262 -17.460 1.00 30.26 C +ATOM 2532 C GLN A 330 26.686 21.476 -18.488 1.00 29.01 C +ATOM 2533 O GLN A 330 26.947 21.526 -19.698 1.00 29.62 O +ATOM 2534 CB GLN A 330 29.031 21.909 -17.596 1.00 29.99 C +ATOM 2535 CG GLN A 330 29.989 22.955 -16.988 1.00 31.54 C +ATOM 2536 CD GLN A 330 31.454 22.580 -17.157 1.00 31.61 C +ATOM 2537 OE1 GLN A 330 31.958 21.675 -16.485 1.00 32.93 O +ATOM 2538 NE2 GLN A 330 32.149 23.292 -18.065 1.00 30.00 N +ATOM 2539 N ILE A 331 25.670 20.725 -18.018 1.00 28.66 N +ATOM 2540 CA ILE A 331 24.763 19.917 -18.897 1.00 27.27 C +ATOM 2541 C ILE A 331 23.565 20.741 -19.440 1.00 26.63 C +ATOM 2542 O ILE A 331 22.757 21.284 -18.667 1.00 26.42 O +ATOM 2543 CB ILE A 331 24.187 18.636 -18.152 1.00 27.50 C +ATOM 2544 CG1 ILE A 331 25.281 17.608 -17.815 1.00 26.99 C +ATOM 2545 CG2 ILE A 331 23.044 17.976 -18.942 1.00 27.37 C +ATOM 2546 CD1 ILE A 331 26.106 17.094 -19.034 1.00 26.84 C +ATOM 2547 N HIS A 332 23.427 20.809 -20.765 1.00 25.77 N +ATOM 2548 CA HIS A 332 22.384 21.628 -21.405 1.00 25.11 C +ATOM 2549 C HIS A 332 20.988 20.987 -21.456 1.00 25.31 C +ATOM 2550 O HIS A 332 19.978 21.659 -21.197 1.00 25.06 O +ATOM 2551 CB HIS A 332 22.825 22.089 -22.803 1.00 24.79 C +ATOM 2552 CG HIS A 332 23.996 23.030 -22.790 1.00 23.70 C +ATOM 2553 ND1 HIS A 332 25.304 22.594 -22.836 1.00 22.85 N +ATOM 2554 CD2 HIS A 332 24.055 24.386 -22.730 1.00 23.19 C +ATOM 2555 CE1 HIS A 332 26.119 23.635 -22.807 1.00 23.42 C +ATOM 2556 NE2 HIS A 332 25.387 24.736 -22.743 1.00 22.60 N +ATOM 2557 N ASP A 333 20.927 19.705 -21.807 1.00 25.55 N +ATOM 2558 CA ASP A 333 19.657 18.996 -21.847 1.00 26.13 C +ATOM 2559 C ASP A 333 19.794 17.636 -21.168 1.00 25.90 C +ATOM 2560 O ASP A 333 20.835 16.987 -21.280 1.00 26.16 O +ATOM 2561 CB ASP A 333 19.186 18.825 -23.298 1.00 26.33 C +ATOM 2562 CG ASP A 333 18.909 20.150 -23.981 1.00 27.85 C +ATOM 2563 OD1 ASP A 333 17.936 20.839 -23.596 1.00 28.74 O +ATOM 2564 OD2 ASP A 333 19.675 20.506 -24.901 1.00 29.17 O +ATOM 2565 N ILE A 334 18.756 17.237 -20.436 1.00 25.85 N +ATOM 2566 CA ILE A 334 18.672 15.894 -19.839 1.00 25.34 C +ATOM 2567 C ILE A 334 17.500 15.163 -20.479 1.00 25.50 C +ATOM 2568 O ILE A 334 16.385 15.680 -20.507 1.00 25.15 O +ATOM 2569 CB ILE A 334 18.471 15.953 -18.296 1.00 25.69 C +ATOM 2570 CG1 ILE A 334 19.646 16.654 -17.619 1.00 24.93 C +ATOM 2571 CG2 ILE A 334 18.301 14.570 -17.691 1.00 25.37 C +ATOM 2572 CD1 ILE A 334 19.251 17.901 -16.894 1.00 26.76 C +ATOM 2573 N VAL A 335 17.736 13.949 -20.979 1.00 25.18 N +ATOM 2574 CA VAL A 335 16.673 13.236 -21.690 1.00 25.39 C +ATOM 2575 C VAL A 335 16.346 11.932 -20.980 1.00 25.41 C +ATOM 2576 O VAL A 335 17.253 11.144 -20.721 1.00 24.69 O +ATOM 2577 CB VAL A 335 17.072 12.944 -23.158 1.00 25.82 C +ATOM 2578 CG1 VAL A 335 15.895 12.348 -23.924 1.00 25.79 C +ATOM 2579 CG2 VAL A 335 17.563 14.231 -23.852 1.00 26.71 C +ATOM 2580 N LEU A 336 15.065 11.732 -20.648 1.00 24.96 N +ATOM 2581 CA LEU A 336 14.592 10.451 -20.086 1.00 26.07 C +ATOM 2582 C LEU A 336 14.274 9.440 -21.188 1.00 25.64 C +ATOM 2583 O LEU A 336 13.498 9.718 -22.102 1.00 26.58 O +ATOM 2584 CB LEU A 336 13.357 10.658 -19.199 1.00 26.01 C +ATOM 2585 CG LEU A 336 13.513 11.501 -17.931 1.00 27.14 C +ATOM 2586 CD1 LEU A 336 12.189 11.565 -17.210 1.00 26.10 C +ATOM 2587 CD2 LEU A 336 14.587 10.911 -17.016 1.00 27.19 C +ATOM 2588 N VAL A 337 14.874 8.261 -21.098 1.00 25.42 N +ATOM 2589 CA VAL A 337 14.636 7.219 -22.087 1.00 24.97 C +ATOM 2590 C VAL A 337 14.390 5.944 -21.302 1.00 24.68 C +ATOM 2591 O VAL A 337 14.907 5.795 -20.191 1.00 25.04 O +ATOM 2592 CB VAL A 337 15.865 7.026 -23.016 1.00 25.09 C +ATOM 2593 CG1 VAL A 337 15.573 6.001 -24.121 1.00 25.51 C +ATOM 2594 CG2 VAL A 337 16.250 8.337 -23.662 1.00 24.73 C +ATOM 2595 N GLY A 338 13.603 5.035 -21.861 1.00 24.89 N +ATOM 2596 CA GLY A 338 13.388 3.756 -21.192 1.00 25.00 C +ATOM 2597 C GLY A 338 12.113 3.756 -20.370 1.00 25.35 C +ATOM 2598 O GLY A 338 11.806 4.731 -19.667 1.00 25.37 O +ATOM 2599 N GLY A 339 11.380 2.643 -20.440 1.00 25.05 N +ATOM 2600 CA GLY A 339 10.099 2.498 -19.747 1.00 24.95 C +ATOM 2601 C GLY A 339 10.154 2.815 -18.263 1.00 25.09 C +ATOM 2602 O GLY A 339 9.212 3.424 -17.724 1.00 25.10 O +ATOM 2603 N SER A 340 11.252 2.434 -17.598 1.00 24.25 N +ATOM 2604 CA SER A 340 11.355 2.616 -16.146 1.00 24.90 C +ATOM 2605 C SER A 340 11.467 4.077 -15.698 1.00 25.00 C +ATOM 2606 O SER A 340 11.222 4.372 -14.525 1.00 25.22 O +ATOM 2607 CB SER A 340 12.501 1.795 -15.544 1.00 25.25 C +ATOM 2608 OG SER A 340 12.320 0.405 -15.769 1.00 26.18 O +ATOM 2609 N THR A 341 11.826 4.976 -16.613 1.00 24.96 N +ATOM 2610 CA THR A 341 11.939 6.404 -16.263 1.00 25.69 C +ATOM 2611 C THR A 341 10.577 7.059 -16.136 1.00 26.03 C +ATOM 2612 O THR A 341 10.487 8.248 -15.810 1.00 26.72 O +ATOM 2613 CB THR A 341 12.805 7.226 -17.235 1.00 25.66 C +ATOM 2614 OG1 THR A 341 12.196 7.251 -18.538 1.00 26.25 O +ATOM 2615 CG2 THR A 341 14.229 6.665 -17.304 1.00 25.39 C +ATOM 2616 N ARG A 342 9.519 6.290 -16.396 1.00 26.01 N +ATOM 2617 CA ARG A 342 8.155 6.728 -16.080 1.00 26.47 C +ATOM 2618 C ARG A 342 7.852 6.720 -14.568 1.00 26.37 C +ATOM 2619 O ARG A 342 6.872 7.332 -14.127 1.00 26.22 O +ATOM 2620 CB ARG A 342 7.138 5.875 -16.837 1.00 26.48 C +ATOM 2621 CG ARG A 342 7.217 5.996 -18.360 1.00 28.51 C +ATOM 2622 CD ARG A 342 6.275 4.978 -18.973 1.00 32.59 C +ATOM 2623 NE ARG A 342 6.120 5.097 -20.419 1.00 35.02 N +ATOM 2624 CZ ARG A 342 5.029 5.568 -21.020 1.00 36.18 C +ATOM 2625 NH1 ARG A 342 3.984 5.982 -20.306 1.00 36.94 N +ATOM 2626 NH2 ARG A 342 4.975 5.622 -22.344 1.00 36.30 N +ATOM 2627 N ILE A 343 8.706 6.047 -13.785 1.00 26.54 N +ATOM 2628 CA ILE A 343 8.562 5.954 -12.326 1.00 25.88 C +ATOM 2629 C ILE A 343 8.779 7.342 -11.698 1.00 26.06 C +ATOM 2630 O ILE A 343 9.871 7.897 -11.825 1.00 26.10 O +ATOM 2631 CB ILE A 343 9.542 4.902 -11.699 1.00 25.69 C +ATOM 2632 CG1 ILE A 343 9.211 3.481 -12.178 1.00 25.27 C +ATOM 2633 CG2 ILE A 343 9.487 4.959 -10.174 1.00 25.38 C +ATOM 2634 CD1 ILE A 343 10.333 2.446 -11.928 1.00 24.86 C +ATOM 2635 N PRO A 344 7.738 7.913 -11.044 1.00 26.09 N +ATOM 2636 CA PRO A 344 7.859 9.259 -10.453 1.00 26.29 C +ATOM 2637 C PRO A 344 9.071 9.445 -9.535 1.00 26.28 C +ATOM 2638 O PRO A 344 9.738 10.490 -9.606 1.00 26.00 O +ATOM 2639 CB PRO A 344 6.551 9.414 -9.668 1.00 26.26 C +ATOM 2640 CG PRO A 344 5.584 8.574 -10.421 1.00 26.97 C +ATOM 2641 CD PRO A 344 6.384 7.363 -10.818 1.00 26.15 C +ATOM 2642 N LYS A 345 9.359 8.440 -8.703 1.00 26.36 N +ATOM 2643 CA LYS A 345 10.474 8.520 -7.749 1.00 26.92 C +ATOM 2644 C LYS A 345 11.828 8.624 -8.453 1.00 26.99 C +ATOM 2645 O LYS A 345 12.721 9.341 -7.988 1.00 26.85 O +ATOM 2646 CB LYS A 345 10.451 7.348 -6.758 1.00 27.33 C +ATOM 2647 CG LYS A 345 11.517 7.410 -5.647 1.00 27.38 C +ATOM 2648 CD LYS A 345 11.293 8.592 -4.698 1.00 29.56 C +ATOM 2649 CE LYS A 345 12.420 8.732 -3.684 1.00 30.87 C +ATOM 2650 NZ LYS A 345 12.234 9.912 -2.782 1.00 31.13 N +ATOM 2651 N ILE A 346 11.970 7.910 -9.570 1.00 27.06 N +ATOM 2652 CA ILE A 346 13.154 8.027 -10.428 1.00 27.55 C +ATOM 2653 C ILE A 346 13.293 9.460 -10.968 1.00 27.28 C +ATOM 2654 O ILE A 346 14.377 10.054 -10.910 1.00 27.42 O +ATOM 2655 CB ILE A 346 13.125 6.980 -11.578 1.00 27.73 C +ATOM 2656 CG1 ILE A 346 13.255 5.558 -11.009 1.00 28.77 C +ATOM 2657 CG2 ILE A 346 14.210 7.264 -12.639 1.00 28.22 C +ATOM 2658 CD1 ILE A 346 14.643 5.188 -10.506 1.00 29.20 C +ATOM 2659 N GLN A 347 12.187 10.021 -11.452 1.00 26.41 N +ATOM 2660 CA GLN A 347 12.214 11.350 -12.049 1.00 26.42 C +ATOM 2661 C GLN A 347 12.600 12.398 -11.007 1.00 26.19 C +ATOM 2662 O GLN A 347 13.388 13.307 -11.297 1.00 26.75 O +ATOM 2663 CB GLN A 347 10.863 11.693 -12.661 1.00 26.28 C +ATOM 2664 CG GLN A 347 10.474 10.797 -13.832 1.00 27.17 C +ATOM 2665 CD GLN A 347 9.289 11.346 -14.607 1.00 28.19 C +ATOM 2666 OE1 GLN A 347 8.766 12.425 -14.296 1.00 26.80 O +ATOM 2667 NE2 GLN A 347 8.854 10.604 -15.620 1.00 29.10 N +ATOM 2668 N LYS A 348 12.051 12.243 -9.803 1.00 25.78 N +ATOM 2669 CA LYS A 348 12.314 13.145 -8.673 1.00 25.59 C +ATOM 2670 C LYS A 348 13.780 13.089 -8.253 1.00 25.59 C +ATOM 2671 O LYS A 348 14.406 14.125 -8.043 1.00 25.00 O +ATOM 2672 CB LYS A 348 11.402 12.795 -7.487 1.00 25.56 C +ATOM 2673 CG LYS A 348 11.739 13.512 -6.177 1.00 26.28 C +ATOM 2674 CD LYS A 348 11.272 14.947 -6.176 1.00 28.13 C +ATOM 2675 CE LYS A 348 11.503 15.578 -4.803 1.00 27.97 C +ATOM 2676 NZ LYS A 348 11.074 17.003 -4.746 1.00 29.11 N +ATOM 2677 N LEU A 349 14.317 11.873 -8.140 1.00 25.44 N +ATOM 2678 CA LEU A 349 15.722 11.665 -7.778 1.00 26.03 C +ATOM 2679 C LEU A 349 16.694 12.353 -8.747 1.00 25.83 C +ATOM 2680 O LEU A 349 17.675 12.977 -8.310 1.00 25.49 O +ATOM 2681 CB LEU A 349 16.047 10.163 -7.695 1.00 25.83 C +ATOM 2682 CG LEU A 349 15.650 9.406 -6.422 1.00 26.90 C +ATOM 2683 CD1 LEU A 349 15.620 7.919 -6.707 1.00 28.52 C +ATOM 2684 CD2 LEU A 349 16.575 9.710 -5.245 1.00 28.31 C +ATOM 2685 N LEU A 350 16.415 12.236 -10.047 1.00 26.12 N +ATOM 2686 CA LEU A 350 17.281 12.800 -11.087 1.00 26.20 C +ATOM 2687 C LEU A 350 17.191 14.325 -11.156 1.00 26.71 C +ATOM 2688 O LEU A 350 18.208 15.006 -11.318 1.00 26.71 O +ATOM 2689 CB LEU A 350 16.976 12.181 -12.455 1.00 26.33 C +ATOM 2690 CG LEU A 350 17.919 12.536 -13.605 1.00 25.31 C +ATOM 2691 CD1 LEU A 350 19.369 12.096 -13.312 1.00 25.89 C +ATOM 2692 CD2 LEU A 350 17.421 11.921 -14.904 1.00 25.57 C +ATOM 2693 N GLN A 351 15.978 14.858 -11.030 1.00 26.97 N +ATOM 2694 CA GLN A 351 15.770 16.303 -11.082 1.00 27.24 C +ATOM 2695 C GLN A 351 16.377 17.001 -9.861 1.00 27.00 C +ATOM 2696 O GLN A 351 16.951 18.090 -9.990 1.00 26.83 O +ATOM 2697 CB GLN A 351 14.283 16.622 -11.222 1.00 27.22 C +ATOM 2698 CG GLN A 351 13.974 18.094 -11.442 1.00 29.97 C +ATOM 2699 CD GLN A 351 12.542 18.315 -11.855 1.00 31.22 C +ATOM 2700 OE1 GLN A 351 12.245 18.473 -13.039 1.00 33.16 O +ATOM 2701 NE2 GLN A 351 11.640 18.285 -10.889 1.00 32.70 N +ATOM 2702 N ASP A 352 16.251 16.371 -8.689 1.00 26.85 N +ATOM 2703 CA ASP A 352 16.862 16.875 -7.453 1.00 26.87 C +ATOM 2704 C ASP A 352 18.379 16.913 -7.589 1.00 26.79 C +ATOM 2705 O ASP A 352 19.017 17.887 -7.184 1.00 26.25 O +ATOM 2706 CB ASP A 352 16.476 16.010 -6.251 1.00 26.92 C +ATOM 2707 CG ASP A 352 15.065 16.274 -5.761 1.00 27.65 C +ATOM 2708 OD1 ASP A 352 14.361 17.130 -6.338 1.00 28.82 O +ATOM 2709 OD2 ASP A 352 14.660 15.623 -4.776 1.00 29.27 O +ATOM 2710 N PHE A 353 18.941 15.852 -8.171 1.00 26.75 N +ATOM 2711 CA PHE A 353 20.371 15.783 -8.460 1.00 26.88 C +ATOM 2712 C PHE A 353 20.825 16.979 -9.299 1.00 26.64 C +ATOM 2713 O PHE A 353 21.882 17.562 -9.041 1.00 26.42 O +ATOM 2714 CB PHE A 353 20.737 14.461 -9.158 1.00 27.27 C +ATOM 2715 CG PHE A 353 22.219 14.280 -9.363 1.00 28.30 C +ATOM 2716 CD1 PHE A 353 23.026 13.806 -8.331 1.00 29.52 C +ATOM 2717 CD2 PHE A 353 22.812 14.612 -10.580 1.00 28.83 C +ATOM 2718 CE1 PHE A 353 24.406 13.652 -8.514 1.00 30.67 C +ATOM 2719 CE2 PHE A 353 24.184 14.467 -10.769 1.00 29.62 C +ATOM 2720 CZ PHE A 353 24.982 13.980 -9.736 1.00 29.90 C +ATOM 2721 N PHE A 354 20.019 17.344 -10.292 1.00 26.54 N +ATOM 2722 CA PHE A 354 20.345 18.453 -11.183 1.00 26.61 C +ATOM 2723 C PHE A 354 19.766 19.785 -10.684 1.00 26.77 C +ATOM 2724 O PHE A 354 19.582 20.724 -11.464 1.00 26.59 O +ATOM 2725 CB PHE A 354 19.895 18.144 -12.617 1.00 26.77 C +ATOM 2726 CG PHE A 354 20.899 17.344 -13.408 1.00 26.24 C +ATOM 2727 CD1 PHE A 354 21.980 17.979 -14.028 1.00 26.06 C +ATOM 2728 CD2 PHE A 354 20.770 15.959 -13.534 1.00 26.41 C +ATOM 2729 CE1 PHE A 354 22.918 17.254 -14.762 1.00 26.11 C +ATOM 2730 CE2 PHE A 354 21.699 15.219 -14.270 1.00 26.28 C +ATOM 2731 CZ PHE A 354 22.774 15.862 -14.887 1.00 25.75 C +ATOM 2732 N ASN A 355 19.496 19.846 -9.379 1.00 26.81 N +ATOM 2733 CA ASN A 355 19.024 21.059 -8.699 1.00 27.15 C +ATOM 2734 C ASN A 355 17.785 21.689 -9.347 1.00 27.24 C +ATOM 2735 O ASN A 355 17.747 22.897 -9.594 1.00 26.97 O +ATOM 2736 CB ASN A 355 20.161 22.088 -8.552 1.00 27.09 C +ATOM 2737 CG ASN A 355 21.362 21.535 -7.790 1.00 27.60 C +ATOM 2738 OD1 ASN A 355 22.542 21.633 -8.331 1.00 29.12 O +ATOM 2739 ND2 ASN A 355 21.069 20.942 -6.537 1.00 28.30 N +ATOM 2740 N GLY A 356 16.790 20.849 -9.641 1.00 27.29 N +ATOM 2741 CA GLY A 356 15.485 21.320 -10.107 1.00 27.61 C +ATOM 2742 C GLY A 356 15.321 21.552 -11.601 1.00 27.96 C +ATOM 2743 O GLY A 356 14.205 21.990 -12.044 1.00 27.87 O +ATOM 2744 N LYS A 357 16.422 21.281 -12.372 1.00 28.01 N +ATOM 2745 CA LYS A 357 16.404 21.496 -13.833 1.00 28.69 C +ATOM 2746 C LYS A 357 15.339 20.618 -14.490 1.00 29.01 C +ATOM 2747 O LYS A 357 15.108 19.491 -14.050 1.00 28.87 O +ATOM 2748 CB LYS A 357 17.786 21.191 -14.444 1.00 28.78 C +ATOM 2749 CG LYS A 357 17.899 21.418 -15.957 1.00 28.83 C +ATOM 2750 CD LYS A 357 19.355 21.468 -16.421 1.00 28.07 C +ATOM 2751 CE LYS A 357 19.484 21.365 -17.944 1.00 27.53 C +ATOM 2752 NZ LYS A 357 18.783 22.446 -18.695 1.00 26.28 N +ATOM 2753 N GLU A 358 14.692 21.144 -15.529 1.00 29.35 N +ATOM 2754 CA GLU A 358 13.618 20.423 -16.208 1.00 29.59 C +ATOM 2755 C GLU A 358 14.159 19.251 -17.022 1.00 29.32 C +ATOM 2756 O GLU A 358 15.215 19.356 -17.649 1.00 29.12 O +ATOM 2757 CB GLU A 358 12.821 21.347 -17.123 1.00 30.07 C +ATOM 2758 CG GLU A 358 11.314 21.214 -16.954 1.00 32.28 C +ATOM 2759 CD GLU A 358 10.799 21.997 -15.754 1.00 35.28 C +ATOM 2760 OE1 GLU A 358 10.923 23.242 -15.760 1.00 36.30 O +ATOM 2761 OE2 GLU A 358 10.264 21.372 -14.808 1.00 36.84 O +ATOM 2762 N LEU A 359 13.407 18.155 -17.005 1.00 29.09 N +ATOM 2763 CA LEU A 359 13.753 16.926 -17.723 1.00 29.18 C +ATOM 2764 C LEU A 359 13.029 16.894 -19.063 1.00 29.31 C +ATOM 2765 O LEU A 359 11.888 17.353 -19.161 1.00 28.94 O +ATOM 2766 CB LEU A 359 13.340 15.712 -16.885 1.00 29.47 C +ATOM 2767 CG LEU A 359 14.247 15.109 -15.801 1.00 29.66 C +ATOM 2768 CD1 LEU A 359 15.362 16.024 -15.326 1.00 29.83 C +ATOM 2769 CD2 LEU A 359 13.425 14.571 -14.628 1.00 29.61 C +ATOM 2770 N ASN A 360 13.693 16.373 -20.097 1.00 29.00 N +ATOM 2771 CA ASN A 360 13.045 16.143 -21.386 1.00 28.86 C +ATOM 2772 C ASN A 360 12.322 14.794 -21.357 1.00 29.10 C +ATOM 2773 O ASN A 360 12.960 13.734 -21.367 1.00 28.30 O +ATOM 2774 CB ASN A 360 14.052 16.207 -22.539 1.00 29.07 C +ATOM 2775 CG ASN A 360 14.417 17.632 -22.918 1.00 29.03 C +ATOM 2776 OD1 ASN A 360 13.623 18.342 -23.524 1.00 30.51 O +ATOM 2777 ND2 ASN A 360 15.632 18.047 -22.582 1.00 29.51 N +ATOM 2778 N LYS A 361 10.994 14.850 -21.285 1.00 29.20 N +ATOM 2779 CA LYS A 361 10.162 13.659 -21.148 1.00 29.35 C +ATOM 2780 C LYS A 361 8.836 13.753 -21.910 1.00 28.85 C +ATOM 2781 O LYS A 361 7.959 12.916 -21.733 1.00 29.47 O +ATOM 2782 CB LYS A 361 9.918 13.343 -19.665 1.00 29.81 C +ATOM 2783 CG LYS A 361 9.207 14.467 -18.891 1.00 32.54 C +ATOM 2784 CD LYS A 361 8.755 13.980 -17.527 1.00 36.45 C +ATOM 2785 CE LYS A 361 7.728 14.922 -16.919 1.00 38.88 C +ATOM 2786 NZ LYS A 361 8.356 16.213 -16.558 1.00 40.93 N +ATOM 2787 N SER A 362 8.684 14.757 -22.769 1.00 28.30 N +ATOM 2788 CA SER A 362 7.432 14.910 -23.526 1.00 27.87 C +ATOM 2789 C SER A 362 7.185 13.773 -24.524 1.00 27.26 C +ATOM 2790 O SER A 362 6.040 13.491 -24.888 1.00 27.94 O +ATOM 2791 CB SER A 362 7.388 16.253 -24.251 1.00 27.85 C +ATOM 2792 OG SER A 362 8.398 16.337 -25.241 1.00 29.74 O +ATOM 2793 N ILE A 363 8.267 13.151 -24.992 1.00 26.04 N +ATOM 2794 CA ILE A 363 8.162 11.968 -25.843 1.00 24.77 C +ATOM 2795 C ILE A 363 8.173 10.744 -24.925 1.00 24.09 C +ATOM 2796 O ILE A 363 9.040 10.641 -24.060 1.00 24.25 O +ATOM 2797 CB ILE A 363 9.325 11.897 -26.871 1.00 24.71 C +ATOM 2798 CG1 ILE A 363 9.293 13.108 -27.833 1.00 24.66 C +ATOM 2799 CG2 ILE A 363 9.263 10.561 -27.657 1.00 22.56 C +ATOM 2800 CD1 ILE A 363 10.336 13.076 -28.961 1.00 27.89 C +ATOM 2801 N ASN A 364 7.202 9.842 -25.075 1.00 23.09 N +ATOM 2802 CA ASN A 364 7.133 8.659 -24.228 1.00 22.79 C +ATOM 2803 C ASN A 364 8.536 8.024 -24.157 1.00 21.87 C +ATOM 2804 O ASN A 364 9.104 7.710 -25.197 1.00 20.99 O +ATOM 2805 CB ASN A 364 6.120 7.660 -24.789 1.00 23.73 C +ATOM 2806 CG ASN A 364 4.664 8.107 -24.588 1.00 26.50 C +ATOM 2807 OD1 ASN A 364 4.356 8.896 -23.693 1.00 29.58 O +ATOM 2808 ND2 ASN A 364 3.771 7.602 -25.429 1.00 28.74 N +ATOM 2809 N PRO A 365 9.120 7.911 -22.945 1.00 21.73 N +ATOM 2810 CA PRO A 365 10.521 7.500 -22.864 1.00 21.29 C +ATOM 2811 C PRO A 365 10.795 6.126 -23.474 1.00 20.81 C +ATOM 2812 O PRO A 365 11.888 5.927 -24.007 1.00 20.53 O +ATOM 2813 CB PRO A 365 10.831 7.555 -21.356 1.00 22.11 C +ATOM 2814 CG PRO A 365 9.842 8.509 -20.810 1.00 23.39 C +ATOM 2815 CD PRO A 365 8.583 8.243 -21.615 1.00 21.67 C +ATOM 2816 N ASP A 366 9.820 5.210 -23.429 1.00 20.32 N +ATOM 2817 CA ASP A 366 9.996 3.892 -24.065 1.00 19.22 C +ATOM 2818 C ASP A 366 9.850 3.914 -25.588 1.00 18.47 C +ATOM 2819 O ASP A 366 10.051 2.899 -26.245 1.00 17.89 O +ATOM 2820 CB ASP A 366 9.108 2.801 -23.422 1.00 19.27 C +ATOM 2821 CG ASP A 366 7.630 3.197 -23.300 1.00 22.60 C +ATOM 2822 OD1 ASP A 366 7.270 4.377 -23.469 1.00 23.73 O +ATOM 2823 OD2 ASP A 366 6.818 2.307 -23.012 1.00 22.69 O +ATOM 2824 N GLU A 367 9.509 5.083 -26.145 1.00 16.99 N +ATOM 2825 CA GLU A 367 9.316 5.256 -27.577 1.00 16.58 C +ATOM 2826 C GLU A 367 10.382 6.154 -28.231 1.00 16.63 C +ATOM 2827 O GLU A 367 10.484 6.174 -29.456 1.00 16.68 O +ATOM 2828 CB GLU A 367 7.901 5.821 -27.851 1.00 17.41 C +ATOM 2829 CG GLU A 367 6.771 4.957 -27.272 1.00 19.04 C +ATOM 2830 CD GLU A 367 5.388 5.544 -27.508 1.00 20.98 C +ATOM 2831 OE1 GLU A 367 5.289 6.577 -28.210 1.00 22.04 O +ATOM 2832 OE2 GLU A 367 4.418 4.954 -26.978 1.00 23.26 O +ATOM 2833 N ALA A 368 11.158 6.872 -27.407 1.00 17.09 N +ATOM 2834 CA ALA A 368 12.101 7.916 -27.868 1.00 17.13 C +ATOM 2835 C ALA A 368 13.164 7.414 -28.846 1.00 16.91 C +ATOM 2836 O ALA A 368 13.477 8.071 -29.856 1.00 16.57 O +ATOM 2837 CB ALA A 368 12.748 8.610 -26.666 1.00 16.91 C +ATOM 2838 N VAL A 369 13.708 6.233 -28.554 1.00 16.23 N +ATOM 2839 CA VAL A 369 14.724 5.639 -29.428 1.00 15.25 C +ATOM 2840 C VAL A 369 14.149 5.325 -30.816 1.00 14.88 C +ATOM 2841 O VAL A 369 14.741 5.693 -31.849 1.00 14.06 O +ATOM 2842 CB VAL A 369 15.370 4.384 -28.748 1.00 14.96 C +ATOM 2843 CG1 VAL A 369 16.257 3.659 -29.743 1.00 14.61 C +ATOM 2844 CG2 VAL A 369 16.166 4.797 -27.465 1.00 15.69 C +ATOM 2845 N ALA A 370 13.010 4.612 -30.867 1.00 14.37 N +ATOM 2846 CA ALA A 370 12.340 4.356 -32.142 1.00 14.53 C +ATOM 2847 C ALA A 370 11.987 5.663 -32.886 1.00 14.86 C +ATOM 2848 O ALA A 370 12.108 5.746 -34.112 1.00 14.79 O +ATOM 2849 CB ALA A 370 11.075 3.518 -31.917 1.00 14.37 C +ATOM 2850 N TYR A 371 11.577 6.666 -32.127 1.00 15.51 N +ATOM 2851 CA TYR A 371 11.161 7.964 -32.696 1.00 16.71 C +ATOM 2852 C TYR A 371 12.339 8.560 -33.478 1.00 16.72 C +ATOM 2853 O TYR A 371 12.201 8.871 -34.660 1.00 17.03 O +ATOM 2854 CB TYR A 371 10.693 8.879 -31.562 1.00 17.97 C +ATOM 2855 CG TYR A 371 9.992 10.158 -31.964 1.00 18.74 C +ATOM 2856 CD1 TYR A 371 10.692 11.190 -32.596 1.00 22.46 C +ATOM 2857 CD2 TYR A 371 8.649 10.372 -31.629 1.00 21.98 C +ATOM 2858 CE1 TYR A 371 10.049 12.391 -32.947 1.00 23.89 C +ATOM 2859 CE2 TYR A 371 8.003 11.567 -31.973 1.00 23.04 C +ATOM 2860 CZ TYR A 371 8.713 12.560 -32.627 1.00 24.30 C +ATOM 2861 OH TYR A 371 8.078 13.756 -32.954 1.00 26.50 O +ATOM 2862 N GLY A 372 13.503 8.653 -32.835 1.00 16.87 N +ATOM 2863 CA GLY A 372 14.716 9.183 -33.473 1.00 16.73 C +ATOM 2864 C GLY A 372 15.192 8.346 -34.647 1.00 16.44 C +ATOM 2865 O GLY A 372 15.616 8.869 -35.686 1.00 16.06 O +ATOM 2866 N ALA A 373 15.125 7.017 -34.498 1.00 16.35 N +ATOM 2867 CA ALA A 373 15.446 6.127 -35.598 1.00 15.39 C +ATOM 2868 C ALA A 373 14.568 6.372 -36.829 1.00 15.39 C +ATOM 2869 O ALA A 373 15.020 6.263 -37.957 1.00 14.83 O +ATOM 2870 CB ALA A 373 15.324 4.640 -35.133 1.00 15.81 C +ATOM 2871 N ALA A 374 13.302 6.723 -36.591 1.00 15.31 N +ATOM 2872 CA ALA A 374 12.339 6.952 -37.663 1.00 15.29 C +ATOM 2873 C ALA A 374 12.691 8.227 -38.420 1.00 16.22 C +ATOM 2874 O ALA A 374 12.717 8.237 -39.655 1.00 17.28 O +ATOM 2875 CB ALA A 374 10.922 7.028 -37.089 1.00 15.93 C +ATOM 2876 N VAL A 375 12.988 9.272 -37.655 1.00 16.80 N +ATOM 2877 CA VAL A 375 13.479 10.529 -38.239 1.00 17.53 C +ATOM 2878 C VAL A 375 14.705 10.255 -39.110 1.00 17.26 C +ATOM 2879 O VAL A 375 14.762 10.639 -40.291 1.00 16.79 O +ATOM 2880 CB VAL A 375 13.772 11.558 -37.120 1.00 17.63 C +ATOM 2881 CG1 VAL A 375 14.459 12.810 -37.684 1.00 20.50 C +ATOM 2882 CG2 VAL A 375 12.480 11.914 -36.394 1.00 18.88 C +ATOM 2883 N GLN A 376 15.672 9.537 -38.537 1.00 16.90 N +ATOM 2884 CA GLN A 376 16.921 9.293 -39.226 1.00 17.80 C +ATOM 2885 C GLN A 376 16.698 8.457 -40.482 1.00 17.50 C +ATOM 2886 O GLN A 376 17.315 8.698 -41.518 1.00 18.34 O +ATOM 2887 CB GLN A 376 17.935 8.633 -38.289 1.00 18.10 C +ATOM 2888 CG GLN A 376 19.345 8.723 -38.822 1.00 20.54 C +ATOM 2889 CD GLN A 376 19.883 10.172 -38.835 1.00 23.14 C +ATOM 2890 OE1 GLN A 376 20.929 10.431 -39.426 1.00 28.58 O +ATOM 2891 NE2 GLN A 376 19.198 11.090 -38.153 1.00 21.85 N +ATOM 2892 N ALA A 377 15.797 7.472 -40.409 1.00 17.26 N +ATOM 2893 CA ALA A 377 15.509 6.644 -41.565 1.00 17.03 C +ATOM 2894 C ALA A 377 14.945 7.465 -42.743 1.00 17.52 C +ATOM 2895 O ALA A 377 15.322 7.242 -43.882 1.00 17.61 O +ATOM 2896 CB ALA A 377 14.590 5.446 -41.200 1.00 16.51 C +ATOM 2897 N ALA A 378 14.101 8.448 -42.434 1.00 18.30 N +ATOM 2898 CA ALA A 378 13.513 9.311 -43.459 1.00 19.28 C +ATOM 2899 C ALA A 378 14.609 10.168 -44.114 1.00 19.71 C +ATOM 2900 O ALA A 378 14.671 10.271 -45.354 1.00 20.17 O +ATOM 2901 CB ALA A 378 12.442 10.182 -42.845 1.00 19.09 C +ATOM 2902 N ILE A 379 15.486 10.735 -43.288 1.00 20.70 N +ATOM 2903 CA ILE A 379 16.633 11.532 -43.770 1.00 21.51 C +ATOM 2904 C ILE A 379 17.502 10.715 -44.731 1.00 22.03 C +ATOM 2905 O ILE A 379 17.791 11.131 -45.860 1.00 22.18 O +ATOM 2906 CB ILE A 379 17.485 12.089 -42.597 1.00 21.70 C +ATOM 2907 CG1 ILE A 379 16.661 13.043 -41.725 1.00 21.97 C +ATOM 2908 CG2 ILE A 379 18.781 12.756 -43.125 1.00 21.89 C +ATOM 2909 CD1 ILE A 379 17.331 13.438 -40.412 1.00 23.52 C +ATOM 2910 N LEU A 380 17.879 9.506 -44.314 1.00 22.07 N +ATOM 2911 CA LEU A 380 18.762 8.681 -45.130 1.00 22.87 C +ATOM 2912 C LEU A 380 18.111 8.159 -46.411 1.00 24.36 C +ATOM 2913 O LEU A 380 18.804 7.693 -47.334 1.00 24.25 O +ATOM 2914 CB LEU A 380 19.324 7.528 -44.289 1.00 22.18 C +ATOM 2915 CG LEU A 380 20.225 7.944 -43.131 1.00 20.08 C +ATOM 2916 CD1 LEU A 380 20.663 6.688 -42.354 1.00 21.29 C +ATOM 2917 CD2 LEU A 380 21.471 8.735 -43.568 1.00 20.52 C +ATOM 2918 N SER A 381 16.779 8.235 -46.460 1.00 25.53 N +ATOM 2919 CA SER A 381 16.021 7.778 -47.621 1.00 28.31 C +ATOM 2920 C SER A 381 15.718 8.891 -48.624 1.00 29.62 C +ATOM 2921 O SER A 381 15.120 8.629 -49.677 1.00 30.62 O +ATOM 2922 CB SER A 381 14.702 7.135 -47.188 1.00 27.91 C +ATOM 2923 OG SER A 381 14.954 5.898 -46.541 1.00 30.24 O +ATOM 2924 N GLY A 382 16.113 10.118 -48.302 1.00 31.48 N +ATOM 2925 CA GLY A 382 15.743 11.278 -49.121 1.00 33.68 C +ATOM 2926 C GLY A 382 14.315 11.777 -48.904 1.00 35.19 C +ATOM 2927 O GLY A 382 13.782 12.531 -49.728 1.00 35.26 O +ATOM 2928 N ASP A 383 13.703 11.371 -47.789 1.00 36.34 N +ATOM 2929 CA ASP A 383 12.295 11.684 -47.489 1.00 38.18 C +ATOM 2930 C ASP A 383 12.106 12.723 -46.371 1.00 39.32 C +ATOM 2931 O ASP A 383 11.022 12.829 -45.785 1.00 39.06 O +ATOM 2932 CB ASP A 383 11.525 10.394 -47.152 1.00 37.89 C +ATOM 2933 CG ASP A 383 11.462 9.430 -48.325 1.00 39.00 C +ATOM 2934 OD1 ASP A 383 11.537 9.904 -49.484 1.00 39.24 O +ATOM 2935 OD2 ASP A 383 11.334 8.199 -48.099 1.00 38.84 O +ATOM 2936 N LYS A 384 13.162 13.483 -46.087 1.00 41.02 N +ATOM 2937 CA LYS A 384 13.110 14.571 -45.109 1.00 43.36 C +ATOM 2938 C LYS A 384 14.101 15.680 -45.490 1.00 45.22 C +ATOM 2939 O LYS A 384 15.026 16.006 -44.736 1.00 45.29 O +ATOM 2940 CB LYS A 384 13.353 14.038 -43.686 1.00 43.11 C +ATOM 2941 CG LYS A 384 12.967 14.993 -42.559 1.00 43.00 C +ATOM 2942 CD LYS A 384 12.684 14.227 -41.272 1.00 43.50 C +ATOM 2943 CE LYS A 384 13.030 15.035 -40.023 1.00 44.76 C +ATOM 2944 NZ LYS A 384 12.454 16.406 -39.975 1.00 43.75 N +ATOM 2945 N SER A 385 13.890 16.244 -46.679 1.00 47.56 N +ATOM 2946 CA SER A 385 14.676 17.376 -47.191 1.00 50.12 C +ATOM 2947 C SER A 385 14.405 18.695 -46.433 1.00 52.12 C +ATOM 2948 O SER A 385 13.473 18.780 -45.630 1.00 52.48 O +ATOM 2949 CB SER A 385 14.402 17.551 -48.691 1.00 49.91 C +ATOM 2950 OG SER A 385 14.979 18.748 -49.189 1.00 49.36 O +ATOM 2951 N GLU A 386 15.227 19.710 -46.712 1.00 54.80 N +ATOM 2952 CA GLU A 386 15.147 21.054 -46.099 1.00 57.31 C +ATOM 2953 C GLU A 386 15.812 21.136 -44.720 1.00 58.77 C +ATOM 2954 O GLU A 386 16.575 20.238 -44.352 1.00 59.25 O +ATOM 2955 CB GLU A 386 13.712 21.614 -46.079 1.00 57.47 C +ATOM 2956 CG GLU A 386 13.383 22.582 -47.221 1.00 58.79 C +ATOM 2957 CD GLU A 386 13.172 21.893 -48.566 1.00 60.39 C +ATOM 2958 OE1 GLU A 386 12.030 21.929 -49.081 1.00 60.68 O +ATOM 2959 OE2 GLU A 386 14.142 21.318 -49.109 1.00 60.84 O +ATOM 2960 N ASN A 387 15.511 22.205 -43.973 1.00 60.49 N +ATOM 2961 CA ASN A 387 16.189 22.558 -42.701 1.00 62.03 C +ATOM 2962 C ASN A 387 17.729 22.478 -42.725 1.00 62.91 C +ATOM 2963 O ASN A 387 18.407 23.513 -42.681 1.00 63.02 O +ATOM 2964 CB ASN A 387 15.572 21.854 -41.463 1.00 62.17 C +ATOM 2965 CG ASN A 387 15.146 20.411 -41.730 1.00 62.84 C +ATOM 2966 OD1 ASN A 387 13.953 20.103 -41.773 1.00 63.88 O +ATOM 2967 ND2 ASN A 387 16.120 19.520 -41.889 1.00 63.14 N +ATOM 2968 N VAL A 388 18.256 21.253 -42.784 1.00 63.97 N +ATOM 2969 CA VAL A 388 19.678 20.971 -43.034 1.00 64.88 C +ATOM 2970 C VAL A 388 19.869 19.472 -43.300 1.00 65.41 C +ATOM 2971 O VAL A 388 20.136 19.058 -44.437 1.00 65.85 O +ATOM 2972 CB VAL A 388 20.633 21.472 -41.880 1.00 64.89 C +ATOM 2973 CG1 VAL A 388 20.128 21.049 -40.485 1.00 65.21 C +ATOM 2974 CG2 VAL A 388 22.085 21.016 -42.114 1.00 64.95 C +ATOM 2975 N GLN A 389 19.676 18.684 -42.243 1.00 65.82 N +ATOM 2976 CA GLN A 389 20.056 17.276 -42.153 1.00 66.04 C +ATOM 2977 C GLN A 389 19.744 16.813 -40.730 1.00 66.42 C +ATOM 2978 O GLN A 389 20.296 15.813 -40.244 1.00 66.46 O +ATOM 2979 CB GLN A 389 21.558 17.117 -42.421 1.00 65.91 C +ATOM 2980 CG GLN A 389 21.903 16.377 -43.695 1.00 65.00 C +ATOM 2981 CD GLN A 389 21.849 14.866 -43.535 1.00 64.52 C +ATOM 2982 OE1 GLN A 389 22.098 14.117 -44.476 1.00 62.95 O +ATOM 2983 NE2 GLN A 389 21.527 14.413 -42.331 1.00 65.72 N +ATOM 2984 N ASP A 390 18.844 17.558 -40.081 1.00 66.80 N +ATOM 2985 CA ASP A 390 18.601 17.488 -38.636 1.00 67.00 C +ATOM 2986 C ASP A 390 19.907 17.610 -37.848 1.00 67.10 C +ATOM 2987 O ASP A 390 20.858 18.263 -38.292 1.00 67.10 O +ATOM 2988 CB ASP A 390 17.830 16.216 -38.240 1.00 67.13 C +ATOM 2989 CG ASP A 390 16.348 16.269 -38.615 1.00 67.49 C +ATOM 2990 OD1 ASP A 390 15.519 15.879 -37.764 1.00 67.76 O +ATOM 2991 OD2 ASP A 390 16.003 16.695 -39.745 1.00 67.20 O +TER 2992 ASP A 390 +ATOM 2993 N ASP B 813 33.974 27.842 -42.992 1.00 37.09 N +ATOM 2994 CA ASP B 813 35.286 27.244 -43.382 1.00 36.84 C +ATOM 2995 C ASP B 813 35.377 27.054 -44.903 1.00 36.53 C +ATOM 2996 O ASP B 813 34.345 26.920 -45.568 1.00 36.40 O +ATOM 2997 CB ASP B 813 35.555 25.944 -42.595 1.00 36.99 C +ATOM 2998 CG ASP B 813 34.802 24.739 -43.137 1.00 37.02 C +ATOM 2999 OD1 ASP B 813 33.764 24.353 -42.548 1.00 36.09 O +ATOM 3000 OD2 ASP B 813 35.271 24.146 -44.132 1.00 37.94 O +ATOM 3001 N PRO B 814 36.610 27.066 -45.459 1.00 36.13 N +ATOM 3002 CA PRO B 814 36.805 27.014 -46.913 1.00 35.98 C +ATOM 3003 C PRO B 814 36.174 25.813 -47.616 1.00 35.60 C +ATOM 3004 O PRO B 814 35.670 25.965 -48.730 1.00 35.49 O +ATOM 3005 CB PRO B 814 38.332 26.997 -47.065 1.00 36.24 C +ATOM 3006 CG PRO B 814 38.838 27.647 -45.814 1.00 36.26 C +ATOM 3007 CD PRO B 814 37.899 27.157 -44.746 1.00 36.25 C +ATOM 3008 N GLU B 815 36.201 24.642 -46.975 1.00 35.31 N +ATOM 3009 CA GLU B 815 35.580 23.432 -47.529 1.00 35.11 C +ATOM 3010 C GLU B 815 34.065 23.562 -47.603 1.00 34.15 C +ATOM 3011 O GLU B 815 33.451 23.113 -48.571 1.00 33.65 O +ATOM 3012 CB GLU B 815 35.954 22.179 -46.721 1.00 35.46 C +ATOM 3013 CG GLU B 815 37.215 21.466 -47.207 1.00 38.11 C +ATOM 3014 CD GLU B 815 37.234 19.977 -46.861 1.00 40.20 C +ATOM 3015 OE1 GLU B 815 38.171 19.544 -46.159 1.00 42.84 O +ATOM 3016 OE2 GLU B 815 36.324 19.234 -47.290 1.00 41.96 O +ATOM 3017 N LYS B 816 33.471 24.176 -46.580 1.00 33.26 N +ATOM 3018 CA LYS B 816 32.029 24.419 -46.556 1.00 32.67 C +ATOM 3019 C LYS B 816 31.644 25.444 -47.633 1.00 32.26 C +ATOM 3020 O LYS B 816 30.701 25.221 -48.404 1.00 31.63 O +ATOM 3021 CB LYS B 816 31.574 24.872 -45.163 1.00 32.84 C +ATOM 3022 CG LYS B 816 30.062 24.935 -44.977 1.00 33.40 C +ATOM 3023 CD LYS B 816 29.687 25.486 -43.612 1.00 34.96 C +ATOM 3024 CE LYS B 816 28.187 25.717 -43.505 1.00 36.36 C +ATOM 3025 NZ LYS B 816 27.788 26.273 -42.176 1.00 37.55 N +ATOM 3026 N LEU B 817 32.387 26.551 -47.690 1.00 31.79 N +ATOM 3027 CA LEU B 817 32.186 27.568 -48.725 1.00 31.67 C +ATOM 3028 C LEU B 817 32.283 26.999 -50.143 1.00 31.29 C +ATOM 3029 O LEU B 817 31.457 27.322 -51.003 1.00 31.37 O +ATOM 3030 CB LEU B 817 33.164 28.735 -48.548 1.00 31.69 C +ATOM 3031 CG LEU B 817 32.556 30.062 -48.096 1.00 33.00 C +ATOM 3032 CD1 LEU B 817 32.431 30.140 -46.573 1.00 34.01 C +ATOM 3033 CD2 LEU B 817 33.409 31.204 -48.619 1.00 33.05 C +ATOM 3034 N LYS B 818 33.278 26.142 -50.371 1.00 30.73 N +ATOM 3035 CA LYS B 818 33.456 25.477 -51.666 1.00 30.46 C +ATOM 3036 C LYS B 818 32.207 24.698 -52.086 1.00 29.49 C +ATOM 3037 O LYS B 818 31.829 24.707 -53.259 1.00 29.06 O +ATOM 3038 CB LYS B 818 34.658 24.534 -51.614 1.00 31.05 C +ATOM 3039 CG LYS B 818 35.249 24.180 -52.984 1.00 32.88 C +ATOM 3040 CD LYS B 818 36.152 22.946 -52.866 1.00 36.15 C +ATOM 3041 CE LYS B 818 37.428 23.072 -53.688 1.00 37.33 C +ATOM 3042 NZ LYS B 818 37.185 23.062 -55.155 1.00 38.76 N +ATOM 3043 N ILE B 819 31.575 24.032 -51.121 1.00 28.47 N +ATOM 3044 CA ILE B 819 30.395 23.209 -51.397 1.00 27.56 C +ATOM 3045 C ILE B 819 29.175 24.093 -51.625 1.00 27.27 C +ATOM 3046 O ILE B 819 28.389 23.832 -52.536 1.00 26.98 O +ATOM 3047 CB ILE B 819 30.156 22.148 -50.302 1.00 27.73 C +ATOM 3048 CG1 ILE B 819 31.282 21.120 -50.354 1.00 27.87 C +ATOM 3049 CG2 ILE B 819 28.825 21.401 -50.512 1.00 26.35 C +ATOM 3050 CD1 ILE B 819 31.454 20.343 -49.111 1.00 28.23 C +ATOM 3051 N LEU B 820 29.046 25.153 -50.824 1.00 26.30 N +ATOM 3052 CA LEU B 820 27.943 26.107 -50.985 1.00 26.22 C +ATOM 3053 C LEU B 820 27.935 26.765 -52.375 1.00 26.45 C +ATOM 3054 O LEU B 820 26.872 26.946 -52.981 1.00 26.36 O +ATOM 3055 CB LEU B 820 27.977 27.186 -49.886 1.00 25.79 C +ATOM 3056 CG LEU B 820 27.746 26.779 -48.423 1.00 26.21 C +ATOM 3057 CD1 LEU B 820 27.871 27.997 -47.505 1.00 25.91 C +ATOM 3058 CD2 LEU B 820 26.400 26.094 -48.223 1.00 25.44 C +ATOM 3059 N GLU B 821 29.122 27.112 -52.868 1.00 26.54 N +ATOM 3060 CA GLU B 821 29.287 27.733 -54.188 1.00 26.65 C +ATOM 3061 C GLU B 821 29.017 26.763 -55.337 1.00 26.44 C +ATOM 3062 O GLU B 821 28.467 27.146 -56.372 1.00 26.16 O +ATOM 3063 CB GLU B 821 30.691 28.316 -54.325 1.00 27.21 C +ATOM 3064 CG GLU B 821 30.950 29.510 -53.419 1.00 29.40 C +ATOM 3065 CD GLU B 821 32.351 30.077 -53.575 1.00 32.73 C +ATOM 3066 OE1 GLU B 821 32.528 31.282 -53.320 1.00 32.76 O +ATOM 3067 OE2 GLU B 821 33.275 29.318 -53.947 1.00 35.81 O +ATOM 3068 N TRP B 822 29.436 25.515 -55.146 1.00 25.81 N +ATOM 3069 CA TRP B 822 29.150 24.417 -56.075 1.00 25.92 C +ATOM 3070 C TRP B 822 27.640 24.224 -56.185 1.00 25.88 C +ATOM 3071 O TRP B 822 27.093 24.176 -57.292 1.00 25.79 O +ATOM 3072 CB TRP B 822 29.845 23.156 -55.564 1.00 26.03 C +ATOM 3073 CG TRP B 822 29.599 21.826 -56.310 1.00 25.98 C +ATOM 3074 CD1 TRP B 822 30.086 21.474 -57.539 1.00 27.57 C +ATOM 3075 CD2 TRP B 822 28.878 20.676 -55.823 1.00 27.67 C +ATOM 3076 NE1 TRP B 822 29.688 20.193 -57.862 1.00 27.89 N +ATOM 3077 CE2 TRP B 822 28.954 19.678 -56.826 1.00 26.89 C +ATOM 3078 CE3 TRP B 822 28.164 20.400 -54.649 1.00 26.38 C +ATOM 3079 CZ2 TRP B 822 28.338 18.419 -56.686 1.00 26.82 C +ATOM 3080 CZ3 TRP B 822 27.554 19.131 -54.510 1.00 27.19 C +ATOM 3081 CH2 TRP B 822 27.649 18.173 -55.522 1.00 26.96 C +ATOM 3082 N ILE B 823 26.972 24.153 -55.033 1.00 26.08 N +ATOM 3083 CA ILE B 823 25.523 23.935 -54.979 1.00 26.23 C +ATOM 3084 C ILE B 823 24.755 25.063 -55.669 1.00 26.37 C +ATOM 3085 O ILE B 823 23.838 24.803 -56.448 1.00 25.84 O +ATOM 3086 CB ILE B 823 25.014 23.715 -53.531 1.00 25.75 C +ATOM 3087 CG1 ILE B 823 25.527 22.384 -52.954 1.00 25.86 C +ATOM 3088 CG2 ILE B 823 23.498 23.688 -53.484 1.00 26.68 C +ATOM 3089 CD1 ILE B 823 25.199 22.213 -51.467 1.00 26.58 C +ATOM 3090 N GLU B 824 25.129 26.316 -55.392 1.00 26.91 N +ATOM 3091 CA GLU B 824 24.460 27.464 -56.006 1.00 27.78 C +ATOM 3092 C GLU B 824 24.675 27.521 -57.523 1.00 27.50 C +ATOM 3093 O GLU B 824 23.737 27.778 -58.275 1.00 27.47 O +ATOM 3094 CB GLU B 824 24.895 28.779 -55.342 1.00 27.54 C +ATOM 3095 CG GLU B 824 24.152 30.029 -55.872 1.00 29.77 C +ATOM 3096 CD GLU B 824 24.445 31.299 -55.093 1.00 32.07 C +ATOM 3097 OE1 GLU B 824 24.740 31.228 -53.877 1.00 33.69 O +ATOM 3098 OE2 GLU B 824 24.367 32.386 -55.702 1.00 34.05 O +ATOM 3099 N GLY B 825 25.905 27.251 -57.955 1.00 27.94 N +ATOM 3100 CA GLY B 825 26.290 27.384 -59.357 1.00 28.17 C +ATOM 3101 C GLY B 825 25.666 26.362 -60.293 1.00 28.73 C +ATOM 3102 O GLY B 825 25.443 26.654 -61.469 1.00 28.66 O +ATOM 3103 N LYS B 826 25.374 25.169 -59.780 1.00 28.90 N +ATOM 3104 CA LYS B 826 24.883 24.069 -60.629 1.00 29.44 C +ATOM 3105 C LYS B 826 23.365 24.060 -60.827 1.00 29.55 C +ATOM 3106 O LYS B 826 22.854 23.305 -61.665 1.00 30.15 O +ATOM 3107 CB LYS B 826 25.379 22.716 -60.130 1.00 29.30 C +ATOM 3108 CG LYS B 826 26.888 22.614 -59.937 1.00 30.32 C +ATOM 3109 CD LYS B 826 27.663 22.897 -61.206 1.00 32.63 C +ATOM 3110 CE LYS B 826 29.147 22.860 -60.959 1.00 31.88 C +ATOM 3111 NZ LYS B 826 29.764 24.221 -60.974 1.00 35.17 N +ATOM 3112 N GLU B 827 22.654 24.891 -60.065 1.00 29.34 N +ATOM 3113 CA GLU B 827 21.214 25.130 -60.256 1.00 29.21 C +ATOM 3114 C GLU B 827 20.328 23.871 -60.134 1.00 28.64 C +ATOM 3115 O GLU B 827 19.282 23.764 -60.790 1.00 28.47 O +ATOM 3116 CB GLU B 827 20.965 25.852 -61.600 1.00 29.48 C +ATOM 3117 CG GLU B 827 21.886 27.049 -61.890 1.00 32.23 C +ATOM 3118 CD GLU B 827 21.394 28.327 -61.249 1.00 33.49 C +ATOM 3119 OE1 GLU B 827 20.358 28.275 -60.551 1.00 35.68 O +ATOM 3120 OE2 GLU B 827 22.038 29.387 -61.444 1.00 34.96 O +ATOM 3121 N ARG B 828 20.763 22.931 -59.292 1.00 27.40 N +ATOM 3122 CA ARG B 828 20.085 21.648 -59.059 1.00 27.33 C +ATOM 3123 C ARG B 828 19.973 20.825 -60.348 1.00 25.97 C +ATOM 3124 O ARG B 828 19.064 20.009 -60.504 1.00 26.28 O +ATOM 3125 CB ARG B 828 18.715 21.853 -58.405 1.00 27.71 C +ATOM 3126 CG ARG B 828 18.227 20.644 -57.630 1.00 29.74 C +ATOM 3127 CD ARG B 828 17.284 21.063 -56.521 1.00 32.97 C +ATOM 3128 NE ARG B 828 18.012 21.373 -55.292 1.00 34.66 N +ATOM 3129 CZ ARG B 828 17.482 21.995 -54.240 1.00 34.55 C +ATOM 3130 NH1 ARG B 828 16.214 22.390 -54.265 1.00 35.05 N +ATOM 3131 NH2 ARG B 828 18.221 22.227 -53.165 1.00 33.21 N +ATOM 3132 N ASN B 829 20.892 21.069 -61.278 1.00 24.79 N +ATOM 3133 CA ASN B 829 21.007 20.256 -62.477 1.00 24.01 C +ATOM 3134 C ASN B 829 21.812 19.014 -62.080 1.00 23.27 C +ATOM 3135 O ASN B 829 23.014 19.099 -61.798 1.00 22.93 O +ATOM 3136 CB ASN B 829 21.694 21.060 -63.592 1.00 23.09 C +ATOM 3137 CG ASN B 829 21.666 20.358 -64.945 1.00 22.90 C +ATOM 3138 OD1 ASN B 829 21.161 20.909 -65.953 1.00 24.96 O +ATOM 3139 ND2 ASN B 829 22.231 19.171 -65.000 1.00 19.21 N +ATOM 3140 N ILE B 830 21.154 17.854 -62.028 1.00 23.33 N +ATOM 3141 CA ILE B 830 21.797 16.665 -61.494 1.00 23.64 C +ATOM 3142 C ILE B 830 23.042 16.281 -62.286 1.00 22.72 C +ATOM 3143 O ILE B 830 24.041 15.908 -61.691 1.00 22.86 O +ATOM 3144 CB ILE B 830 20.812 15.455 -61.356 1.00 24.20 C +ATOM 3145 CG1 ILE B 830 21.503 14.243 -60.703 1.00 26.51 C +ATOM 3146 CG2 ILE B 830 20.209 15.091 -62.714 1.00 24.11 C +ATOM 3147 CD1 ILE B 830 22.077 14.465 -59.320 1.00 30.43 C +ATOM 3148 N ARG B 831 22.988 16.399 -63.613 1.00 22.37 N +ATOM 3149 CA ARG B 831 24.157 16.124 -64.460 1.00 22.12 C +ATOM 3150 C ARG B 831 25.313 17.104 -64.178 1.00 22.50 C +ATOM 3151 O ARG B 831 26.477 16.692 -64.102 1.00 22.98 O +ATOM 3152 CB ARG B 831 23.781 16.171 -65.940 1.00 21.63 C +ATOM 3153 CG ARG B 831 22.827 15.062 -66.397 1.00 22.29 C +ATOM 3154 CD ARG B 831 22.427 15.308 -67.845 1.00 21.24 C +ATOM 3155 NE ARG B 831 21.531 14.282 -68.386 1.00 21.77 N +ATOM 3156 CZ ARG B 831 20.197 14.317 -68.335 1.00 22.35 C +ATOM 3157 NH1 ARG B 831 19.560 15.310 -67.708 1.00 17.82 N +ATOM 3158 NH2 ARG B 831 19.493 13.330 -68.900 1.00 21.46 N +ATOM 3159 N ALA B 832 25.004 18.384 -64.027 1.00 22.25 N +ATOM 3160 CA ALA B 832 26.053 19.367 -63.700 1.00 22.24 C +ATOM 3161 C ALA B 832 26.709 19.056 -62.358 1.00 22.34 C +ATOM 3162 O ALA B 832 27.923 19.203 -62.212 1.00 22.23 O +ATOM 3163 CB ALA B 832 25.517 20.794 -63.713 1.00 22.12 C +ATOM 3164 N LEU B 833 25.913 18.613 -61.385 1.00 22.87 N +ATOM 3165 CA LEU B 833 26.454 18.248 -60.075 1.00 23.11 C +ATOM 3166 C LEU B 833 27.338 16.991 -60.140 1.00 23.79 C +ATOM 3167 O LEU B 833 28.485 16.997 -59.668 1.00 24.26 O +ATOM 3168 CB LEU B 833 25.317 18.065 -59.055 1.00 24.00 C +ATOM 3169 CG LEU B 833 24.533 19.325 -58.646 1.00 23.38 C +ATOM 3170 CD1 LEU B 833 23.174 18.964 -58.043 1.00 24.52 C +ATOM 3171 CD2 LEU B 833 25.334 20.173 -57.668 1.00 24.42 C +ATOM 3172 N LEU B 834 26.818 15.930 -60.749 1.00 23.87 N +ATOM 3173 CA LEU B 834 27.544 14.656 -60.820 1.00 24.12 C +ATOM 3174 C LEU B 834 28.855 14.788 -61.598 1.00 24.74 C +ATOM 3175 O LEU B 834 29.884 14.238 -61.197 1.00 25.36 O +ATOM 3176 CB LEU B 834 26.673 13.572 -61.434 1.00 24.63 C +ATOM 3177 CG LEU B 834 25.457 13.136 -60.604 1.00 24.05 C +ATOM 3178 CD1 LEU B 834 24.591 12.158 -61.396 1.00 26.86 C +ATOM 3179 CD2 LEU B 834 25.912 12.546 -59.269 1.00 24.34 C +ATOM 3180 N SER B 835 28.804 15.536 -62.701 1.00 24.05 N +ATOM 3181 CA SER B 835 29.960 15.717 -63.577 1.00 24.21 C +ATOM 3182 C SER B 835 31.086 16.530 -62.933 1.00 24.22 C +ATOM 3183 O SER B 835 32.212 16.510 -63.415 1.00 24.38 O +ATOM 3184 CB SER B 835 29.520 16.318 -64.922 1.00 24.07 C +ATOM 3185 OG SER B 835 29.262 17.710 -64.814 1.00 25.11 O +ATOM 3186 N THR B 836 30.788 17.213 -61.827 1.00 24.25 N +ATOM 3187 CA THR B 836 31.778 18.050 -61.137 1.00 24.11 C +ATOM 3188 C THR B 836 31.977 17.692 -59.652 1.00 24.29 C +ATOM 3189 O THR B 836 32.699 18.401 -58.938 1.00 24.26 O +ATOM 3190 CB THR B 836 31.393 19.545 -61.229 1.00 23.81 C +ATOM 3191 OG1 THR B 836 30.106 19.732 -60.625 1.00 24.15 O +ATOM 3192 CG2 THR B 836 31.332 20.002 -62.692 1.00 23.82 C +ATOM 3193 N MET B 837 31.370 16.601 -59.190 1.00 23.95 N +ATOM 3194 CA MET B 837 31.438 16.263 -57.767 1.00 24.67 C +ATOM 3195 C MET B 837 32.874 16.013 -57.290 1.00 25.03 C +ATOM 3196 O MET B 837 33.186 16.224 -56.112 1.00 25.23 O +ATOM 3197 CB MET B 837 30.555 15.061 -57.427 1.00 24.46 C +ATOM 3198 CG MET B 837 30.363 14.913 -55.917 1.00 25.26 C +ATOM 3199 SD MET B 837 29.298 13.555 -55.458 1.00 27.07 S +ATOM 3200 CE MET B 837 30.319 12.113 -55.786 1.00 28.81 C +ATOM 3201 N HIS B 838 33.745 15.583 -58.199 1.00 25.55 N +ATOM 3202 CA HIS B 838 35.167 15.399 -57.855 1.00 26.24 C +ATOM 3203 C HIS B 838 35.838 16.670 -57.313 1.00 26.61 C +ATOM 3204 O HIS B 838 36.758 16.578 -56.499 1.00 27.13 O +ATOM 3205 CB HIS B 838 35.960 14.804 -59.027 1.00 26.54 C +ATOM 3206 CG HIS B 838 35.924 15.630 -60.275 1.00 26.84 C +ATOM 3207 ND1 HIS B 838 34.833 15.661 -61.115 1.00 27.54 N +ATOM 3208 CD2 HIS B 838 36.859 16.428 -60.843 1.00 27.35 C +ATOM 3209 CE1 HIS B 838 35.089 16.457 -62.138 1.00 27.36 C +ATOM 3210 NE2 HIS B 838 36.312 16.938 -61.996 1.00 27.44 N +ATOM 3211 N THR B 839 35.364 17.842 -57.733 1.00 26.69 N +ATOM 3212 CA THR B 839 35.965 19.120 -57.322 1.00 27.21 C +ATOM 3213 C THR B 839 35.626 19.540 -55.885 1.00 28.04 C +ATOM 3214 O THR B 839 36.255 20.453 -55.345 1.00 28.35 O +ATOM 3215 CB THR B 839 35.592 20.291 -58.277 1.00 27.28 C +ATOM 3216 OG1 THR B 839 34.239 20.701 -58.043 1.00 26.74 O +ATOM 3217 CG2 THR B 839 35.770 19.885 -59.729 1.00 26.81 C +ATOM 3218 N VAL B 840 34.638 18.887 -55.275 1.00 28.11 N +ATOM 3219 CA VAL B 840 34.209 19.275 -53.925 1.00 28.70 C +ATOM 3220 C VAL B 840 34.411 18.208 -52.853 1.00 29.10 C +ATOM 3221 O VAL B 840 34.203 18.470 -51.661 1.00 29.71 O +ATOM 3222 CB VAL B 840 32.756 19.824 -53.885 1.00 28.30 C +ATOM 3223 CG1 VAL B 840 32.651 21.121 -54.701 1.00 28.70 C +ATOM 3224 CG2 VAL B 840 31.735 18.766 -54.341 1.00 29.46 C +ATOM 3225 N LEU B 841 34.791 17.000 -53.273 1.00 28.66 N +ATOM 3226 CA LEU B 841 35.104 15.945 -52.324 1.00 28.48 C +ATOM 3227 C LEU B 841 36.315 16.314 -51.473 1.00 28.68 C +ATOM 3228 O LEU B 841 37.168 17.102 -51.893 1.00 28.85 O +ATOM 3229 CB LEU B 841 35.334 14.613 -53.039 1.00 27.95 C +ATOM 3230 CG LEU B 841 34.068 13.968 -53.625 1.00 27.82 C +ATOM 3231 CD1 LEU B 841 34.429 12.718 -54.403 1.00 27.64 C +ATOM 3232 CD2 LEU B 841 33.032 13.671 -52.542 1.00 27.78 C +ATOM 3233 N TRP B 842 36.356 15.760 -50.267 1.00 29.08 N +ATOM 3234 CA TRP B 842 37.456 15.973 -49.336 1.00 29.59 C +ATOM 3235 C TRP B 842 38.741 15.349 -49.880 1.00 30.52 C +ATOM 3236 O TRP B 842 38.699 14.402 -50.675 1.00 30.40 O +ATOM 3237 CB TRP B 842 37.099 15.365 -47.973 1.00 29.36 C +ATOM 3238 CG TRP B 842 36.542 13.971 -48.076 1.00 28.51 C +ATOM 3239 CD1 TRP B 842 37.237 12.800 -47.953 1.00 28.42 C +ATOM 3240 CD2 TRP B 842 35.173 13.604 -48.335 1.00 28.70 C +ATOM 3241 NE1 TRP B 842 36.386 11.726 -48.105 1.00 28.91 N +ATOM 3242 CE2 TRP B 842 35.118 12.191 -48.357 1.00 28.02 C +ATOM 3243 CE3 TRP B 842 33.991 14.333 -48.555 1.00 27.12 C +ATOM 3244 CZ2 TRP B 842 33.926 11.491 -48.587 1.00 29.21 C +ATOM 3245 CZ3 TRP B 842 32.803 13.636 -48.780 1.00 28.12 C +ATOM 3246 CH2 TRP B 842 32.782 12.224 -48.788 1.00 28.37 C +ATOM 3247 N ALA B 843 39.883 15.900 -49.471 1.00 31.49 N +ATOM 3248 CA ALA B 843 41.160 15.237 -49.706 1.00 32.65 C +ATOM 3249 C ALA B 843 41.156 13.933 -48.899 1.00 33.17 C +ATOM 3250 O ALA B 843 40.744 13.898 -47.725 1.00 33.61 O +ATOM 3251 CB ALA B 843 42.323 16.133 -49.302 1.00 32.42 C +ATOM 3252 N GLY B 844 41.580 12.856 -49.551 1.00 33.87 N +ATOM 3253 CA GLY B 844 41.561 11.537 -48.939 1.00 34.07 C +ATOM 3254 C GLY B 844 40.480 10.645 -49.509 1.00 34.06 C +ATOM 3255 O GLY B 844 40.492 9.436 -49.278 1.00 34.26 O +ATOM 3256 N GLU B 845 39.528 11.243 -50.229 1.00 34.19 N +ATOM 3257 CA GLU B 845 38.513 10.474 -50.946 1.00 33.87 C +ATOM 3258 C GLU B 845 39.164 9.851 -52.180 1.00 33.80 C +ATOM 3259 O GLU B 845 39.727 10.559 -53.024 1.00 33.88 O +ATOM 3260 CB GLU B 845 37.325 11.361 -51.343 1.00 33.88 C +ATOM 3261 CG GLU B 845 36.006 10.605 -51.569 1.00 33.53 C +ATOM 3262 CD GLU B 845 36.078 9.581 -52.695 1.00 34.49 C +ATOM 3263 OE1 GLU B 845 35.722 8.412 -52.454 1.00 35.34 O +ATOM 3264 OE2 GLU B 845 36.490 9.943 -53.818 1.00 34.38 O +ATOM 3265 N THR B 846 39.080 8.527 -52.284 1.00 33.79 N +ATOM 3266 CA THR B 846 39.810 7.797 -53.321 1.00 34.11 C +ATOM 3267 C THR B 846 38.944 6.897 -54.209 1.00 34.16 C +ATOM 3268 O THR B 846 39.445 6.321 -55.178 1.00 34.18 O +ATOM 3269 CB THR B 846 40.938 6.941 -52.705 1.00 34.23 C +ATOM 3270 OG1 THR B 846 40.362 5.955 -51.840 1.00 34.45 O +ATOM 3271 CG2 THR B 846 41.912 7.811 -51.912 1.00 34.62 C +ATOM 3272 N LYS B 847 37.658 6.779 -53.883 1.00 34.25 N +ATOM 3273 CA LYS B 847 36.761 5.863 -54.600 1.00 34.36 C +ATOM 3274 C LYS B 847 36.170 6.474 -55.870 1.00 33.78 C +ATOM 3275 O LYS B 847 36.067 5.806 -56.896 1.00 34.00 O +ATOM 3276 CB LYS B 847 35.633 5.369 -53.685 1.00 34.92 C +ATOM 3277 CG LYS B 847 36.109 4.524 -52.512 1.00 36.83 C +ATOM 3278 CD LYS B 847 34.993 4.306 -51.491 1.00 40.05 C +ATOM 3279 CE LYS B 847 35.526 3.661 -50.207 1.00 40.76 C +ATOM 3280 NZ LYS B 847 36.126 2.307 -50.433 1.00 42.35 N +ATOM 3281 N TRP B 848 35.789 7.744 -55.794 1.00 32.61 N +ATOM 3282 CA TRP B 848 35.102 8.410 -56.898 1.00 31.77 C +ATOM 3283 C TRP B 848 36.046 8.741 -58.050 1.00 31.63 C +ATOM 3284 O TRP B 848 37.099 9.347 -57.846 1.00 31.59 O +ATOM 3285 CB TRP B 848 34.434 9.684 -56.392 1.00 30.93 C +ATOM 3286 CG TRP B 848 33.600 10.392 -57.417 1.00 30.23 C +ATOM 3287 CD1 TRP B 848 33.934 11.527 -58.109 1.00 29.60 C +ATOM 3288 CD2 TRP B 848 32.291 10.020 -57.861 1.00 29.36 C +ATOM 3289 NE1 TRP B 848 32.908 11.883 -58.954 1.00 28.97 N +ATOM 3290 CE2 TRP B 848 31.890 10.973 -58.829 1.00 29.49 C +ATOM 3291 CE3 TRP B 848 31.414 8.970 -57.539 1.00 28.68 C +ATOM 3292 CZ2 TRP B 848 30.639 10.915 -59.474 1.00 28.41 C +ATOM 3293 CZ3 TRP B 848 30.174 8.908 -58.187 1.00 28.81 C +ATOM 3294 CH2 TRP B 848 29.803 9.874 -59.144 1.00 29.65 C +ATOM 3295 N LYS B 849 35.663 8.323 -59.254 1.00 31.40 N +ATOM 3296 CA LYS B 849 36.364 8.718 -60.471 1.00 31.68 C +ATOM 3297 C LYS B 849 35.560 9.800 -61.186 1.00 31.22 C +ATOM 3298 O LYS B 849 34.338 9.666 -61.332 1.00 30.97 O +ATOM 3299 CB LYS B 849 36.609 7.511 -61.385 1.00 32.09 C +ATOM 3300 CG LYS B 849 37.737 6.607 -60.900 1.00 33.79 C +ATOM 3301 CD LYS B 849 37.914 5.373 -61.777 1.00 35.77 C +ATOM 3302 CE LYS B 849 39.127 4.555 -61.347 1.00 37.56 C +ATOM 3303 NZ LYS B 849 39.056 4.123 -59.916 1.00 39.16 N +ATOM 3304 N PRO B 850 36.235 10.889 -61.610 1.00 30.70 N +ATOM 3305 CA PRO B 850 35.546 11.974 -62.305 1.00 30.16 C +ATOM 3306 C PRO B 850 34.704 11.435 -63.459 1.00 29.69 C +ATOM 3307 O PRO B 850 35.197 10.648 -64.265 1.00 29.02 O +ATOM 3308 CB PRO B 850 36.698 12.831 -62.836 1.00 30.38 C +ATOM 3309 CG PRO B 850 37.789 12.614 -61.852 1.00 30.72 C +ATOM 3310 CD PRO B 850 37.675 11.168 -61.457 1.00 30.56 C +ATOM 3311 N VAL B 851 33.435 11.829 -63.512 1.00 29.05 N +ATOM 3312 CA VAL B 851 32.536 11.371 -64.576 1.00 29.22 C +ATOM 3313 C VAL B 851 32.322 12.492 -65.592 1.00 28.81 C +ATOM 3314 O VAL B 851 32.067 13.641 -65.225 1.00 28.33 O +ATOM 3315 CB VAL B 851 31.177 10.832 -64.017 1.00 29.67 C +ATOM 3316 CG1 VAL B 851 30.424 11.912 -63.275 1.00 31.07 C +ATOM 3317 CG2 VAL B 851 30.303 10.244 -65.132 1.00 30.21 C +ATOM 3318 N GLY B 852 32.448 12.147 -66.867 1.00 28.51 N +ATOM 3319 CA GLY B 852 32.234 13.110 -67.941 1.00 28.52 C +ATOM 3320 C GLY B 852 30.795 13.095 -68.416 1.00 28.41 C +ATOM 3321 O GLY B 852 30.076 12.117 -68.224 1.00 28.19 O +ATOM 3322 N MET B 853 30.385 14.183 -69.056 1.00 28.32 N +ATOM 3323 CA MET B 853 29.007 14.329 -69.545 1.00 28.66 C +ATOM 3324 C MET B 853 28.572 13.256 -70.553 1.00 28.47 C +ATOM 3325 O MET B 853 27.381 12.948 -70.653 1.00 28.04 O +ATOM 3326 CB MET B 853 28.805 15.730 -70.121 1.00 29.22 C +ATOM 3327 CG MET B 853 28.745 16.804 -69.054 1.00 31.37 C +ATOM 3328 SD MET B 853 27.319 16.638 -67.957 1.00 35.70 S +ATOM 3329 CE MET B 853 25.987 16.542 -69.117 1.00 34.33 C +ATOM 3330 N ALA B 854 29.537 12.695 -71.286 1.00 28.03 N +ATOM 3331 CA ALA B 854 29.293 11.577 -72.206 1.00 27.63 C +ATOM 3332 C ALA B 854 28.671 10.368 -71.516 1.00 27.09 C +ATOM 3333 O ALA B 854 27.957 9.593 -72.153 1.00 27.53 O +ATOM 3334 CB ALA B 854 30.584 11.167 -72.909 1.00 27.66 C +ATOM 3335 N ASP B 855 28.959 10.202 -70.224 1.00 26.34 N +ATOM 3336 CA ASP B 855 28.437 9.079 -69.448 1.00 25.95 C +ATOM 3337 C ASP B 855 27.203 9.478 -68.649 1.00 24.36 C +ATOM 3338 O ASP B 855 26.801 8.780 -67.720 1.00 24.10 O +ATOM 3339 CB ASP B 855 29.516 8.521 -68.510 1.00 26.84 C +ATOM 3340 CG ASP B 855 30.640 7.803 -69.256 1.00 28.32 C +ATOM 3341 OD1 ASP B 855 30.483 7.448 -70.445 1.00 30.82 O +ATOM 3342 OD2 ASP B 855 31.699 7.587 -68.634 1.00 32.26 O +ATOM 3343 N LEU B 856 26.598 10.610 -69.025 1.00 23.44 N +ATOM 3344 CA LEU B 856 25.436 11.140 -68.308 1.00 21.77 C +ATOM 3345 C LEU B 856 24.262 11.528 -69.228 1.00 21.62 C +ATOM 3346 O LEU B 856 23.371 12.270 -68.816 1.00 21.46 O +ATOM 3347 CB LEU B 856 25.859 12.352 -67.453 1.00 21.91 C +ATOM 3348 CG LEU B 856 26.690 12.056 -66.196 1.00 22.82 C +ATOM 3349 CD1 LEU B 856 27.270 13.332 -65.601 1.00 24.40 C +ATOM 3350 CD2 LEU B 856 25.854 11.307 -65.161 1.00 23.86 C +ATOM 3351 N VAL B 857 24.241 11.002 -70.448 1.00 20.28 N +ATOM 3352 CA VAL B 857 23.214 11.381 -71.424 1.00 20.29 C +ATOM 3353 C VAL B 857 21.828 10.837 -71.070 1.00 20.38 C +ATOM 3354 O VAL B 857 20.879 11.600 -70.924 1.00 21.27 O +ATOM 3355 CB VAL B 857 23.596 10.956 -72.856 1.00 19.74 C +ATOM 3356 CG1 VAL B 857 22.483 11.299 -73.851 1.00 19.94 C +ATOM 3357 CG2 VAL B 857 24.904 11.608 -73.277 1.00 19.63 C +ATOM 3358 N THR B 858 21.712 9.522 -70.946 1.00 20.64 N +ATOM 3359 CA THR B 858 20.393 8.894 -70.824 1.00 19.59 C +ATOM 3360 C THR B 858 19.941 8.827 -69.374 1.00 19.75 C +ATOM 3361 O THR B 858 20.766 8.807 -68.469 1.00 19.12 O +ATOM 3362 CB THR B 858 20.407 7.459 -71.382 1.00 20.03 C +ATOM 3363 OG1 THR B 858 21.203 6.646 -70.510 1.00 18.77 O +ATOM 3364 CG2 THR B 858 20.952 7.415 -72.824 1.00 19.76 C +ATOM 3365 N PRO B 859 18.613 8.786 -69.136 1.00 20.25 N +ATOM 3366 CA PRO B 859 18.156 8.644 -67.753 1.00 20.51 C +ATOM 3367 C PRO B 859 18.773 7.444 -67.012 1.00 20.88 C +ATOM 3368 O PRO B 859 19.059 7.549 -65.826 1.00 20.59 O +ATOM 3369 CB PRO B 859 16.637 8.492 -67.901 1.00 20.27 C +ATOM 3370 CG PRO B 859 16.316 9.198 -69.172 1.00 20.74 C +ATOM 3371 CD PRO B 859 17.485 8.910 -70.078 1.00 20.72 C +ATOM 3372 N GLU B 860 19.014 6.345 -67.728 1.00 21.77 N +ATOM 3373 CA GLU B 860 19.646 5.142 -67.146 1.00 23.17 C +ATOM 3374 C GLU B 860 21.055 5.445 -66.642 1.00 23.08 C +ATOM 3375 O GLU B 860 21.439 5.021 -65.543 1.00 22.99 O +ATOM 3376 CB GLU B 860 19.695 4.014 -68.183 1.00 24.01 C +ATOM 3377 CG GLU B 860 18.368 3.764 -68.924 1.00 27.76 C +ATOM 3378 CD GLU B 860 18.162 4.687 -70.130 1.00 31.74 C +ATOM 3379 OE1 GLU B 860 17.245 5.532 -70.082 1.00 31.93 O +ATOM 3380 OE2 GLU B 860 18.909 4.558 -71.132 1.00 35.95 O +ATOM 3381 N GLN B 861 21.813 6.201 -67.446 1.00 23.24 N +ATOM 3382 CA GLN B 861 23.167 6.637 -67.074 1.00 22.86 C +ATOM 3383 C GLN B 861 23.163 7.538 -65.848 1.00 23.35 C +ATOM 3384 O GLN B 861 23.942 7.329 -64.916 1.00 23.04 O +ATOM 3385 CB GLN B 861 23.867 7.330 -68.246 1.00 22.35 C +ATOM 3386 CG GLN B 861 24.372 6.393 -69.333 1.00 22.92 C +ATOM 3387 CD GLN B 861 25.082 7.129 -70.455 1.00 22.86 C +ATOM 3388 OE1 GLN B 861 26.221 6.798 -70.815 1.00 24.11 O +ATOM 3389 NE2 GLN B 861 24.421 8.126 -71.019 1.00 21.20 N +ATOM 3390 N VAL B 862 22.295 8.553 -65.859 1.00 22.61 N +ATOM 3391 CA VAL B 862 22.133 9.426 -64.697 1.00 23.15 C +ATOM 3392 C VAL B 862 21.811 8.650 -63.409 1.00 23.17 C +ATOM 3393 O VAL B 862 22.407 8.909 -62.369 1.00 22.89 O +ATOM 3394 CB VAL B 862 21.079 10.545 -64.955 1.00 22.85 C +ATOM 3395 CG1 VAL B 862 20.928 11.439 -63.731 1.00 23.01 C +ATOM 3396 CG2 VAL B 862 21.448 11.371 -66.226 1.00 22.22 C +ATOM 3397 N LYS B 863 20.894 7.689 -63.482 1.00 23.44 N +ATOM 3398 CA LYS B 863 20.538 6.905 -62.291 1.00 23.79 C +ATOM 3399 C LYS B 863 21.718 6.072 -61.752 1.00 24.15 C +ATOM 3400 O LYS B 863 21.985 6.065 -60.547 1.00 24.34 O +ATOM 3401 CB LYS B 863 19.328 6.020 -62.593 1.00 23.59 C +ATOM 3402 CG LYS B 863 18.805 5.251 -61.389 1.00 25.35 C +ATOM 3403 CD LYS B 863 17.578 4.460 -61.797 1.00 25.62 C +ATOM 3404 CE LYS B 863 17.104 3.552 -60.691 1.00 29.11 C +ATOM 3405 NZ LYS B 863 15.826 2.893 -61.084 1.00 31.10 N +ATOM 3406 N LYS B 864 22.422 5.381 -62.647 1.00 24.46 N +ATOM 3407 CA LYS B 864 23.612 4.603 -62.273 1.00 25.15 C +ATOM 3408 C LYS B 864 24.679 5.467 -61.584 1.00 24.90 C +ATOM 3409 O LYS B 864 25.226 5.086 -60.549 1.00 25.04 O +ATOM 3410 CB LYS B 864 24.179 3.906 -63.510 1.00 25.26 C +ATOM 3411 CG LYS B 864 25.204 2.813 -63.242 1.00 28.23 C +ATOM 3412 CD LYS B 864 25.354 1.906 -64.469 1.00 31.41 C +ATOM 3413 CE LYS B 864 26.811 1.506 -64.701 1.00 33.71 C +ATOM 3414 NZ LYS B 864 27.430 0.817 -63.521 1.00 34.67 N +ATOM 3415 N VAL B 865 24.947 6.647 -62.138 1.00 24.94 N +ATOM 3416 CA VAL B 865 25.978 7.520 -61.575 1.00 25.18 C +ATOM 3417 C VAL B 865 25.521 8.152 -60.252 1.00 25.35 C +ATOM 3418 O VAL B 865 26.310 8.269 -59.302 1.00 25.24 O +ATOM 3419 CB VAL B 865 26.455 8.588 -62.608 1.00 25.00 C +ATOM 3420 CG1 VAL B 865 27.400 9.587 -61.963 1.00 25.40 C +ATOM 3421 CG2 VAL B 865 27.128 7.909 -63.830 1.00 26.49 C +ATOM 3422 N TYR B 866 24.246 8.552 -60.186 1.00 25.13 N +ATOM 3423 CA TYR B 866 23.653 9.061 -58.943 1.00 25.27 C +ATOM 3424 C TYR B 866 23.786 8.050 -57.794 1.00 25.16 C +ATOM 3425 O TYR B 866 24.180 8.388 -56.677 1.00 25.27 O +ATOM 3426 CB TYR B 866 22.180 9.439 -59.171 1.00 24.45 C +ATOM 3427 CG TYR B 866 21.388 9.660 -57.898 1.00 24.90 C +ATOM 3428 CD1 TYR B 866 21.633 10.775 -57.074 1.00 24.05 C +ATOM 3429 CD2 TYR B 866 20.399 8.759 -57.509 1.00 25.35 C +ATOM 3430 CE1 TYR B 866 20.906 10.972 -55.900 1.00 23.61 C +ATOM 3431 CE2 TYR B 866 19.665 8.948 -56.334 1.00 26.45 C +ATOM 3432 CZ TYR B 866 19.926 10.058 -55.538 1.00 26.72 C +ATOM 3433 OH TYR B 866 19.201 10.234 -54.381 1.00 27.99 O +ATOM 3434 N ARG B 867 23.457 6.797 -58.074 1.00 25.53 N +ATOM 3435 CA ARG B 867 23.546 5.760 -57.062 1.00 25.87 C +ATOM 3436 C ARG B 867 24.978 5.582 -56.547 1.00 25.77 C +ATOM 3437 O ARG B 867 25.198 5.415 -55.335 1.00 26.04 O +ATOM 3438 CB ARG B 867 23.003 4.449 -57.626 1.00 25.99 C +ATOM 3439 CG ARG B 867 21.506 4.477 -57.855 1.00 29.03 C +ATOM 3440 CD ARG B 867 21.020 3.111 -58.309 1.00 34.36 C +ATOM 3441 NE ARG B 867 19.566 3.010 -58.228 1.00 38.66 N +ATOM 3442 CZ ARG B 867 18.891 1.862 -58.237 1.00 40.94 C +ATOM 3443 NH1 ARG B 867 19.531 0.698 -58.325 1.00 42.26 N +ATOM 3444 NH2 ARG B 867 17.570 1.877 -58.150 1.00 41.59 N +ATOM 3445 N LYS B 868 25.950 5.630 -57.459 1.00 25.54 N +ATOM 3446 CA LYS B 868 27.362 5.547 -57.077 1.00 26.09 C +ATOM 3447 C LYS B 868 27.745 6.698 -56.156 1.00 25.74 C +ATOM 3448 O LYS B 868 28.407 6.497 -55.129 1.00 25.58 O +ATOM 3449 CB LYS B 868 28.272 5.547 -58.311 1.00 26.25 C +ATOM 3450 CG LYS B 868 28.330 4.222 -59.060 1.00 29.51 C +ATOM 3451 CD LYS B 868 29.214 4.351 -60.301 1.00 32.81 C +ATOM 3452 CE LYS B 868 29.261 3.050 -61.114 1.00 34.35 C +ATOM 3453 NZ LYS B 868 30.173 2.037 -60.515 1.00 36.54 N +ATOM 3454 N ALA B 869 27.317 7.903 -56.542 1.00 24.86 N +ATOM 3455 CA ALA B 869 27.617 9.122 -55.812 1.00 24.65 C +ATOM 3456 C ALA B 869 27.098 9.114 -54.372 1.00 24.25 C +ATOM 3457 O ALA B 869 27.831 9.450 -53.435 1.00 23.46 O +ATOM 3458 CB ALA B 869 27.081 10.319 -56.569 1.00 24.73 C +ATOM 3459 N VAL B 870 25.835 8.742 -54.193 1.00 25.09 N +ATOM 3460 CA VAL B 870 25.252 8.735 -52.847 1.00 25.72 C +ATOM 3461 C VAL B 870 25.972 7.742 -51.929 1.00 26.34 C +ATOM 3462 O VAL B 870 26.117 7.981 -50.726 1.00 27.09 O +ATOM 3463 CB VAL B 870 23.702 8.567 -52.848 1.00 26.63 C +ATOM 3464 CG1 VAL B 870 23.041 9.805 -53.448 1.00 27.62 C +ATOM 3465 CG2 VAL B 870 23.266 7.305 -53.575 1.00 28.72 C +ATOM 3466 N LEU B 871 26.463 6.652 -52.506 1.00 25.87 N +ATOM 3467 CA LEU B 871 27.268 5.701 -51.733 1.00 25.82 C +ATOM 3468 C LEU B 871 28.552 6.346 -51.202 1.00 25.48 C +ATOM 3469 O LEU B 871 28.934 6.116 -50.057 1.00 24.46 O +ATOM 3470 CB LEU B 871 27.594 4.452 -52.557 1.00 26.58 C +ATOM 3471 CG LEU B 871 26.860 3.126 -52.325 1.00 28.05 C +ATOM 3472 CD1 LEU B 871 27.550 2.299 -51.242 1.00 28.33 C +ATOM 3473 CD2 LEU B 871 25.386 3.287 -51.981 1.00 31.02 C +ATOM 3474 N VAL B 872 29.199 7.178 -52.025 1.00 24.64 N +ATOM 3475 CA VAL B 872 30.440 7.851 -51.620 1.00 25.26 C +ATOM 3476 C VAL B 872 30.197 8.841 -50.470 1.00 24.67 C +ATOM 3477 O VAL B 872 30.960 8.858 -49.484 1.00 25.12 O +ATOM 3478 CB VAL B 872 31.144 8.561 -52.826 1.00 25.08 C +ATOM 3479 CG1 VAL B 872 32.312 9.422 -52.370 1.00 27.06 C +ATOM 3480 CG2 VAL B 872 31.611 7.551 -53.852 1.00 26.26 C +ATOM 3481 N VAL B 873 29.144 9.652 -50.603 1.00 24.07 N +ATOM 3482 CA VAL B 873 28.837 10.698 -49.626 1.00 23.36 C +ATOM 3483 C VAL B 873 27.779 10.295 -48.583 1.00 22.86 C +ATOM 3484 O VAL B 873 27.222 11.139 -47.886 1.00 22.39 O +ATOM 3485 CB VAL B 873 28.421 12.036 -50.335 1.00 23.00 C +ATOM 3486 CG1 VAL B 873 29.590 12.619 -51.140 1.00 23.94 C +ATOM 3487 CG2 VAL B 873 27.144 11.840 -51.207 1.00 22.88 C +ATOM 3488 N HIS B 874 27.508 8.993 -48.454 1.00 22.01 N +ATOM 3489 CA HIS B 874 26.449 8.555 -47.544 1.00 22.46 C +ATOM 3490 C HIS B 874 26.729 8.983 -46.101 1.00 22.68 C +ATOM 3491 O HIS B 874 27.838 8.769 -45.586 1.00 22.82 O +ATOM 3492 CB HIS B 874 26.248 7.036 -47.606 1.00 22.01 C +ATOM 3493 CG HIS B 874 24.938 6.600 -47.033 1.00 21.40 C +ATOM 3494 ND1 HIS B 874 23.868 6.235 -47.817 1.00 24.49 N +ATOM 3495 CD2 HIS B 874 24.508 6.535 -45.753 1.00 18.87 C +ATOM 3496 CE1 HIS B 874 22.837 5.938 -47.043 1.00 19.09 C +ATOM 3497 NE2 HIS B 874 23.205 6.101 -45.782 1.00 23.02 N +ATOM 3498 N PRO B 875 25.750 9.632 -45.443 1.00 22.68 N +ATOM 3499 CA PRO B 875 26.003 10.031 -44.048 1.00 22.73 C +ATOM 3500 C PRO B 875 26.322 8.911 -43.064 1.00 22.70 C +ATOM 3501 O PRO B 875 27.048 9.169 -42.101 1.00 23.36 O +ATOM 3502 CB PRO B 875 24.704 10.741 -43.634 1.00 22.97 C +ATOM 3503 CG PRO B 875 24.124 11.204 -44.944 1.00 22.73 C +ATOM 3504 CD PRO B 875 24.451 10.134 -45.926 1.00 24.04 C +ATOM 3505 N CYS B 876 25.788 7.702 -43.281 1.00 22.18 N +ATOM 3506 CA CYS B 876 26.068 6.577 -42.375 1.00 21.90 C +ATOM 3507 C CYS B 876 27.579 6.270 -42.354 1.00 21.75 C +ATOM 3508 O CYS B 876 28.203 6.284 -41.294 1.00 21.21 O +ATOM 3509 CB CYS B 876 25.245 5.350 -42.753 1.00 21.62 C +ATOM 3510 SG CYS B 876 25.429 4.012 -41.598 1.00 19.93 S +ATOM 3511 N LYS B 877 28.158 6.042 -43.533 1.00 22.68 N +ATOM 3512 CA LYS B 877 29.617 5.819 -43.669 1.00 24.03 C +ATOM 3513 C LYS B 877 30.447 6.978 -43.143 1.00 23.74 C +ATOM 3514 O LYS B 877 31.512 6.779 -42.564 1.00 24.29 O +ATOM 3515 CB LYS B 877 29.997 5.635 -45.138 1.00 24.49 C +ATOM 3516 CG LYS B 877 30.531 4.257 -45.503 1.00 28.08 C +ATOM 3517 CD LYS B 877 29.568 3.568 -46.461 1.00 31.35 C +ATOM 3518 CE LYS B 877 29.416 4.342 -47.771 1.00 31.30 C +ATOM 3519 NZ LYS B 877 28.036 4.225 -48.353 1.00 28.31 N +ATOM 3520 N ALA B 878 29.953 8.191 -43.375 1.00 23.37 N +ATOM 3521 CA ALA B 878 30.654 9.414 -43.008 1.00 23.28 C +ATOM 3522 C ALA B 878 30.652 9.726 -41.507 1.00 23.39 C +ATOM 3523 O ALA B 878 31.402 10.603 -41.057 1.00 22.62 O +ATOM 3524 CB ALA B 878 30.066 10.616 -43.797 1.00 22.88 C +ATOM 3525 N THR B 879 29.820 9.018 -40.739 1.00 22.73 N +ATOM 3526 CA THR B 879 29.642 9.306 -39.315 1.00 23.02 C +ATOM 3527 C THR B 879 30.974 9.204 -38.570 1.00 23.50 C +ATOM 3528 O THR B 879 31.654 8.166 -38.632 1.00 23.93 O +ATOM 3529 CB THR B 879 28.574 8.390 -38.675 1.00 22.66 C +ATOM 3530 OG1 THR B 879 27.303 8.647 -39.291 1.00 22.48 O +ATOM 3531 CG2 THR B 879 28.460 8.643 -37.173 1.00 23.38 C +ATOM 3532 N GLY B 880 31.345 10.299 -37.903 1.00 23.82 N +ATOM 3533 CA GLY B 880 32.566 10.355 -37.108 1.00 24.12 C +ATOM 3534 C GLY B 880 33.832 10.741 -37.855 1.00 24.14 C +ATOM 3535 O GLY B 880 34.878 10.909 -37.224 1.00 24.56 O +ATOM 3536 N GLN B 881 33.749 10.876 -39.183 1.00 23.81 N +ATOM 3537 CA GLN B 881 34.901 11.237 -40.031 1.00 23.72 C +ATOM 3538 C GLN B 881 35.067 12.751 -40.074 1.00 23.14 C +ATOM 3539 O GLN B 881 34.081 13.474 -39.911 1.00 23.19 O +ATOM 3540 CB GLN B 881 34.709 10.686 -41.456 1.00 23.67 C +ATOM 3541 CG GLN B 881 34.671 9.160 -41.536 1.00 25.37 C +ATOM 3542 CD GLN B 881 35.973 8.534 -41.075 1.00 28.09 C +ATOM 3543 OE1 GLN B 881 37.060 9.001 -41.429 1.00 28.26 O +ATOM 3544 NE2 GLN B 881 35.872 7.472 -40.279 1.00 29.79 N +ATOM 3545 N PRO B 882 36.308 13.244 -40.295 1.00 23.14 N +ATOM 3546 CA PRO B 882 36.539 14.694 -40.378 1.00 23.39 C +ATOM 3547 C PRO B 882 35.673 15.396 -41.424 1.00 23.51 C +ATOM 3548 O PRO B 882 35.347 16.575 -41.260 1.00 23.54 O +ATOM 3549 CB PRO B 882 38.020 14.785 -40.764 1.00 22.89 C +ATOM 3550 CG PRO B 882 38.619 13.537 -40.200 1.00 23.85 C +ATOM 3551 CD PRO B 882 37.569 12.493 -40.457 1.00 23.06 C +ATOM 3552 N TYR B 883 35.306 14.679 -42.488 1.00 23.38 N +ATOM 3553 CA TYR B 883 34.537 15.265 -43.592 1.00 23.42 C +ATOM 3554 C TYR B 883 33.027 15.110 -43.467 1.00 23.17 C +ATOM 3555 O TYR B 883 32.291 15.406 -44.423 1.00 23.98 O +ATOM 3556 CB TYR B 883 34.984 14.669 -44.920 1.00 23.92 C +ATOM 3557 CG TYR B 883 34.917 13.165 -44.952 1.00 23.73 C +ATOM 3558 CD1 TYR B 883 33.712 12.501 -45.200 1.00 25.70 C +ATOM 3559 CD2 TYR B 883 36.066 12.404 -44.735 1.00 25.17 C +ATOM 3560 CE1 TYR B 883 33.659 11.106 -45.217 1.00 26.27 C +ATOM 3561 CE2 TYR B 883 36.021 11.026 -44.751 1.00 25.93 C +ATOM 3562 CZ TYR B 883 34.826 10.386 -44.997 1.00 26.57 C +ATOM 3563 OH TYR B 883 34.797 9.013 -45.011 1.00 26.81 O +ATOM 3564 N GLU B 884 32.562 14.643 -42.308 1.00 22.94 N +ATOM 3565 CA GLU B 884 31.150 14.297 -42.118 1.00 23.01 C +ATOM 3566 C GLU B 884 30.193 15.414 -42.565 1.00 23.15 C +ATOM 3567 O GLU B 884 29.218 15.163 -43.292 1.00 23.64 O +ATOM 3568 CB GLU B 884 30.872 13.948 -40.658 1.00 22.71 C +ATOM 3569 CG GLU B 884 29.416 13.585 -40.402 1.00 23.89 C +ATOM 3570 CD GLU B 884 29.176 13.012 -39.016 1.00 23.82 C +ATOM 3571 OE1 GLU B 884 28.014 12.646 -38.726 1.00 25.52 O +ATOM 3572 OE2 GLU B 884 30.134 12.958 -38.208 1.00 24.30 O +ATOM 3573 N GLN B 885 30.458 16.636 -42.116 1.00 23.29 N +ATOM 3574 CA GLN B 885 29.558 17.752 -42.456 1.00 24.18 C +ATOM 3575 C GLN B 885 29.401 17.905 -43.973 1.00 23.82 C +ATOM 3576 O GLN B 885 28.296 18.126 -44.479 1.00 23.42 O +ATOM 3577 CB GLN B 885 30.046 19.066 -41.837 1.00 24.36 C +ATOM 3578 CG GLN B 885 29.084 20.245 -42.082 1.00 28.22 C +ATOM 3579 CD GLN B 885 29.575 21.577 -41.518 1.00 32.79 C +ATOM 3580 OE1 GLN B 885 29.188 22.644 -42.004 1.00 36.49 O +ATOM 3581 NE2 GLN B 885 30.421 21.522 -40.489 1.00 34.70 N +ATOM 3582 N TYR B 886 30.518 17.783 -44.679 1.00 23.62 N +ATOM 3583 CA TYR B 886 30.584 17.998 -46.127 1.00 23.16 C +ATOM 3584 C TYR B 886 29.903 16.878 -46.905 1.00 22.76 C +ATOM 3585 O TYR B 886 29.199 17.126 -47.896 1.00 21.48 O +ATOM 3586 CB TYR B 886 32.044 18.159 -46.549 1.00 23.10 C +ATOM 3587 CG TYR B 886 32.808 19.107 -45.641 1.00 24.15 C +ATOM 3588 CD1 TYR B 886 33.956 18.690 -44.974 1.00 24.01 C +ATOM 3589 CD2 TYR B 886 32.356 20.417 -45.420 1.00 23.72 C +ATOM 3590 CE1 TYR B 886 34.639 19.538 -44.122 1.00 26.20 C +ATOM 3591 CE2 TYR B 886 33.047 21.285 -44.567 1.00 26.56 C +ATOM 3592 CZ TYR B 886 34.187 20.840 -43.928 1.00 27.20 C +ATOM 3593 OH TYR B 886 34.879 21.689 -43.085 1.00 28.01 O +ATOM 3594 N ALA B 887 30.110 15.631 -46.471 1.00 22.55 N +ATOM 3595 CA ALA B 887 29.361 14.539 -47.056 1.00 22.78 C +ATOM 3596 C ALA B 887 27.853 14.781 -46.937 1.00 22.47 C +ATOM 3597 O ALA B 887 27.105 14.606 -47.907 1.00 22.03 O +ATOM 3598 CB ALA B 887 29.767 13.183 -46.405 1.00 22.67 C +ATOM 3599 N LYS B 888 27.407 15.207 -45.756 1.00 22.81 N +ATOM 3600 CA LYS B 888 25.978 15.457 -45.521 1.00 23.02 C +ATOM 3601 C LYS B 888 25.435 16.543 -46.468 1.00 23.21 C +ATOM 3602 O LYS B 888 24.367 16.383 -47.068 1.00 22.11 O +ATOM 3603 CB LYS B 888 25.757 15.833 -44.063 1.00 22.96 C +ATOM 3604 CG LYS B 888 25.938 14.650 -43.100 1.00 23.37 C +ATOM 3605 CD LYS B 888 25.879 15.088 -41.633 1.00 25.22 C +ATOM 3606 CE LYS B 888 24.474 15.454 -41.218 1.00 26.58 C +ATOM 3607 NZ LYS B 888 24.338 15.827 -39.768 1.00 28.05 N +ATOM 3608 N MET B 889 26.187 17.633 -46.628 1.00 23.00 N +ATOM 3609 CA MET B 889 25.762 18.697 -47.555 1.00 23.15 C +ATOM 3610 C MET B 889 25.624 18.212 -48.998 1.00 22.97 C +ATOM 3611 O MET B 889 24.646 18.544 -49.677 1.00 23.47 O +ATOM 3612 CB MET B 889 26.722 19.891 -47.500 1.00 23.37 C +ATOM 3613 CG MET B 889 26.733 20.619 -46.184 1.00 24.46 C +ATOM 3614 SD MET B 889 28.189 21.670 -46.077 1.00 26.13 S +ATOM 3615 CE MET B 889 27.807 22.945 -47.280 1.00 24.26 C +ATOM 3616 N ILE B 890 26.578 17.395 -49.452 1.00 22.93 N +ATOM 3617 CA ILE B 890 26.581 16.879 -50.825 1.00 22.27 C +ATOM 3618 C ILE B 890 25.431 15.888 -51.031 1.00 22.53 C +ATOM 3619 O ILE B 890 24.669 15.990 -51.997 1.00 22.09 O +ATOM 3620 CB ILE B 890 27.945 16.241 -51.178 1.00 22.50 C +ATOM 3621 CG1 ILE B 890 29.048 17.321 -51.136 1.00 20.47 C +ATOM 3622 CG2 ILE B 890 27.889 15.562 -52.544 1.00 21.63 C +ATOM 3623 CD1 ILE B 890 30.485 16.778 -51.166 1.00 21.57 C +ATOM 3624 N PHE B 891 25.296 14.952 -50.084 1.00 22.59 N +ATOM 3625 CA PHE B 891 24.211 13.958 -50.073 1.00 23.03 C +ATOM 3626 C PHE B 891 22.828 14.626 -50.223 1.00 23.12 C +ATOM 3627 O PHE B 891 22.021 14.208 -51.044 1.00 22.55 O +ATOM 3628 CB PHE B 891 24.294 13.153 -48.765 1.00 23.27 C +ATOM 3629 CG PHE B 891 23.230 12.090 -48.598 1.00 24.30 C +ATOM 3630 CD1 PHE B 891 23.312 10.889 -49.299 1.00 25.56 C +ATOM 3631 CD2 PHE B 891 22.184 12.270 -47.685 1.00 23.94 C +ATOM 3632 CE1 PHE B 891 22.356 9.896 -49.121 1.00 24.28 C +ATOM 3633 CE2 PHE B 891 21.217 11.279 -47.488 1.00 23.83 C +ATOM 3634 CZ PHE B 891 21.297 10.093 -48.214 1.00 23.12 C +ATOM 3635 N MET B 892 22.577 15.678 -49.443 1.00 22.53 N +ATOM 3636 CA MET B 892 21.263 16.292 -49.440 1.00 23.27 C +ATOM 3637 C MET B 892 21.011 17.055 -50.736 1.00 22.79 C +ATOM 3638 O MET B 892 19.890 17.052 -51.252 1.00 23.04 O +ATOM 3639 CB MET B 892 21.058 17.156 -48.191 1.00 23.62 C +ATOM 3640 CG MET B 892 21.164 16.363 -46.879 1.00 25.66 C +ATOM 3641 SD MET B 892 19.907 15.089 -46.511 1.00 30.49 S +ATOM 3642 CE MET B 892 18.603 16.123 -45.837 1.00 27.73 C +ATOM 3643 N GLU B 893 22.047 17.689 -51.284 1.00 22.21 N +ATOM 3644 CA GLU B 893 21.852 18.349 -52.575 1.00 22.92 C +ATOM 3645 C GLU B 893 21.618 17.333 -53.700 1.00 22.46 C +ATOM 3646 O GLU B 893 20.778 17.570 -54.572 1.00 22.59 O +ATOM 3647 CB GLU B 893 22.984 19.322 -52.924 1.00 22.63 C +ATOM 3648 CG GLU B 893 22.789 19.993 -54.300 1.00 24.83 C +ATOM 3649 CD GLU B 893 21.615 20.976 -54.344 1.00 25.68 C +ATOM 3650 OE1 GLU B 893 21.035 21.293 -53.279 1.00 25.71 O +ATOM 3651 OE2 GLU B 893 21.270 21.434 -55.457 1.00 25.85 O +ATOM 3652 N LEU B 894 22.346 16.206 -53.676 1.00 22.76 N +ATOM 3653 CA LEU B 894 22.164 15.182 -54.707 1.00 22.74 C +ATOM 3654 C LEU B 894 20.739 14.618 -54.684 1.00 23.01 C +ATOM 3655 O LEU B 894 20.099 14.476 -55.730 1.00 22.46 O +ATOM 3656 CB LEU B 894 23.191 14.063 -54.557 1.00 22.42 C +ATOM 3657 CG LEU B 894 24.648 14.417 -54.887 1.00 21.87 C +ATOM 3658 CD1 LEU B 894 25.542 13.207 -54.627 1.00 23.62 C +ATOM 3659 CD2 LEU B 894 24.858 14.975 -56.319 1.00 23.89 C +ATOM 3660 N ASN B 895 20.243 14.322 -53.488 1.00 24.07 N +ATOM 3661 CA ASN B 895 18.881 13.832 -53.320 1.00 24.91 C +ATOM 3662 C ASN B 895 17.830 14.786 -53.880 1.00 25.35 C +ATOM 3663 O ASN B 895 16.882 14.367 -54.562 1.00 25.48 O +ATOM 3664 CB ASN B 895 18.604 13.547 -51.842 1.00 25.60 C +ATOM 3665 CG ASN B 895 19.382 12.356 -51.328 1.00 27.48 C +ATOM 3666 OD1 ASN B 895 19.473 12.137 -50.124 1.00 33.46 O +ATOM 3667 ND2 ASN B 895 19.946 11.575 -52.244 1.00 28.22 N +ATOM 3668 N ASP B 896 18.013 16.072 -53.596 1.00 25.39 N +ATOM 3669 CA ASP B 896 17.104 17.105 -54.103 1.00 25.91 C +ATOM 3670 C ASP B 896 17.164 17.210 -55.625 1.00 25.33 C +ATOM 3671 O ASP B 896 16.140 17.414 -56.290 1.00 25.09 O +ATOM 3672 CB ASP B 896 17.427 18.459 -53.466 1.00 26.46 C +ATOM 3673 CG ASP B 896 16.875 18.600 -52.051 1.00 29.43 C +ATOM 3674 OD1 ASP B 896 17.106 19.669 -51.434 1.00 31.89 O +ATOM 3675 OD2 ASP B 896 16.208 17.664 -51.553 1.00 30.91 O +ATOM 3676 N ALA B 897 18.369 17.062 -56.172 1.00 24.65 N +ATOM 3677 CA ALA B 897 18.583 17.112 -57.616 1.00 25.33 C +ATOM 3678 C ALA B 897 17.973 15.899 -58.289 1.00 25.43 C +ATOM 3679 O ALA B 897 17.407 16.002 -59.384 1.00 24.81 O +ATOM 3680 CB ALA B 897 20.068 17.200 -57.944 1.00 24.96 C +ATOM 3681 N TRP B 898 18.081 14.749 -57.625 1.00 26.16 N +ATOM 3682 CA TRP B 898 17.498 13.528 -58.152 1.00 27.26 C +ATOM 3683 C TRP B 898 15.973 13.622 -58.172 1.00 28.10 C +ATOM 3684 O TRP B 898 15.344 13.239 -59.156 1.00 27.87 O +ATOM 3685 CB TRP B 898 17.955 12.299 -57.356 1.00 27.79 C +ATOM 3686 CG TRP B 898 17.205 11.068 -57.768 1.00 28.55 C +ATOM 3687 CD1 TRP B 898 16.211 10.453 -57.074 1.00 30.49 C +ATOM 3688 CD2 TRP B 898 17.347 10.345 -58.998 1.00 28.94 C +ATOM 3689 NE1 TRP B 898 15.738 9.370 -57.778 1.00 32.04 N +ATOM 3690 CE2 TRP B 898 16.422 9.278 -58.962 1.00 31.02 C +ATOM 3691 CE3 TRP B 898 18.189 10.473 -60.109 1.00 28.13 C +ATOM 3692 CZ2 TRP B 898 16.297 8.360 -60.006 1.00 30.08 C +ATOM 3693 CZ3 TRP B 898 18.068 9.563 -61.144 1.00 29.07 C +ATOM 3694 CH2 TRP B 898 17.127 8.515 -61.084 1.00 29.32 C +ATOM 3695 N SER B 899 15.383 14.149 -57.103 1.00 29.09 N +ATOM 3696 CA SER B 899 13.922 14.249 -57.028 1.00 30.78 C +ATOM 3697 C SER B 899 13.388 15.207 -58.091 1.00 30.93 C +ATOM 3698 O SER B 899 12.351 14.949 -58.701 1.00 31.48 O +ATOM 3699 CB SER B 899 13.458 14.646 -55.622 1.00 31.10 C +ATOM 3700 OG SER B 899 13.635 16.032 -55.378 1.00 34.47 O +ATOM 3701 N GLU B 900 14.112 16.298 -58.322 1.00 31.25 N +ATOM 3702 CA GLU B 900 13.774 17.246 -59.380 1.00 32.23 C +ATOM 3703 C GLU B 900 13.859 16.572 -60.753 1.00 32.21 C +ATOM 3704 O GLU B 900 12.949 16.719 -61.574 1.00 32.16 O +ATOM 3705 CB GLU B 900 14.699 18.459 -59.313 1.00 32.32 C +ATOM 3706 CG GLU B 900 14.652 19.346 -60.533 1.00 35.56 C +ATOM 3707 CD GLU B 900 15.132 20.745 -60.243 1.00 40.00 C +ATOM 3708 OE1 GLU B 900 14.637 21.353 -59.262 1.00 41.11 O +ATOM 3709 OE2 GLU B 900 16.002 21.233 -61.001 1.00 42.42 O +ATOM 3710 N PHE B 901 14.948 15.834 -60.981 1.00 32.12 N +ATOM 3711 CA PHE B 901 15.149 15.055 -62.210 1.00 32.77 C +ATOM 3712 C PHE B 901 13.991 14.085 -62.465 1.00 34.16 C +ATOM 3713 O PHE B 901 13.476 14.011 -63.589 1.00 34.16 O +ATOM 3714 CB PHE B 901 16.488 14.293 -62.173 1.00 32.13 C +ATOM 3715 CG PHE B 901 16.741 13.446 -63.397 1.00 30.73 C +ATOM 3716 CD1 PHE B 901 17.136 14.032 -64.596 1.00 29.50 C +ATOM 3717 CD2 PHE B 901 16.578 12.060 -63.355 1.00 29.56 C +ATOM 3718 CE1 PHE B 901 17.371 13.262 -65.741 1.00 28.69 C +ATOM 3719 CE2 PHE B 901 16.805 11.276 -64.505 1.00 28.41 C +ATOM 3720 CZ PHE B 901 17.202 11.880 -65.699 1.00 27.83 C +ATOM 3721 N GLU B 902 13.579 13.359 -61.425 1.00 35.76 N +ATOM 3722 CA GLU B 902 12.431 12.448 -61.523 1.00 37.79 C +ATOM 3723 C GLU B 902 11.106 13.143 -61.866 1.00 38.62 C +ATOM 3724 O GLU B 902 10.260 12.554 -62.544 1.00 38.71 O +ATOM 3725 CB GLU B 902 12.263 11.630 -60.243 1.00 37.98 C +ATOM 3726 CG GLU B 902 13.037 10.326 -60.223 1.00 40.08 C +ATOM 3727 CD GLU B 902 12.608 9.413 -59.085 1.00 42.38 C +ATOM 3728 OE1 GLU B 902 12.514 9.890 -57.931 1.00 43.57 O +ATOM 3729 OE2 GLU B 902 12.369 8.213 -59.342 1.00 44.30 O +ATOM 3730 N ASN B 903 10.933 14.382 -61.399 1.00 39.91 N +ATOM 3731 CA ASN B 903 9.714 15.161 -61.662 1.00 41.13 C +ATOM 3732 C ASN B 903 9.526 15.525 -63.128 1.00 41.77 C +ATOM 3733 O ASN B 903 8.391 15.643 -63.593 1.00 41.94 O +ATOM 3734 CB ASN B 903 9.682 16.446 -60.824 1.00 41.18 C +ATOM 3735 CG ASN B 903 9.550 16.181 -59.336 1.00 42.32 C +ATOM 3736 OD1 ASN B 903 9.227 15.069 -58.910 1.00 43.67 O +ATOM 3737 ND2 ASN B 903 9.803 17.212 -58.532 1.00 42.66 N +ATOM 3738 N GLN B 904 10.636 15.714 -63.845 1.00 42.68 N +ATOM 3739 CA GLN B 904 10.609 16.100 -65.262 1.00 43.58 C +ATOM 3740 C GLN B 904 9.701 15.187 -66.088 1.00 43.85 C +ATOM 3741 O GLN B 904 9.836 13.960 -66.049 1.00 44.29 O +ATOM 3742 CB GLN B 904 12.016 16.080 -65.866 1.00 43.85 C +ATOM 3743 CG GLN B 904 13.037 17.040 -65.247 1.00 44.92 C +ATOM 3744 CD GLN B 904 14.457 16.789 -65.769 1.00 46.41 C +ATOM 3745 OE1 GLN B 904 15.388 17.539 -65.469 1.00 46.26 O +ATOM 3746 NE2 GLN B 904 14.620 15.726 -66.552 1.00 46.85 N +TER 3747 GLN B 904 +HETATM 3748 P PO4 A 488 18.534 -1.720 -24.185 1.00 17.18 P +HETATM 3749 O1 PO4 A 488 19.870 -1.154 -24.673 1.00 16.31 O +HETATM 3750 O2 PO4 A 488 17.893 -2.412 -25.366 1.00 16.51 O +HETATM 3751 O3 PO4 A 488 18.797 -2.729 -23.078 1.00 16.70 O +HETATM 3752 O4 PO4 A 488 17.676 -0.595 -23.674 1.00 16.38 O +HETATM 3753 NA NA A 489 12.993 -0.702 -26.370 1.00 22.88 NA +HETATM 3754 NA NA A 490 18.627 0.811 -21.406 1.00 26.17 NA +HETATM 3755 MG MG A 491 16.114 0.511 -24.503 1.00 17.63 MG +HETATM 3756 PB ADP A 487 14.099 -1.908 -23.227 1.00 25.89 P +HETATM 3757 O1B ADP A 487 14.062 -3.354 -23.725 1.00 26.91 O +HETATM 3758 O2B ADP A 487 14.711 -1.685 -21.874 1.00 27.35 O +HETATM 3759 O3B ADP A 487 14.654 -0.970 -24.259 1.00 25.02 O +HETATM 3760 PA ADP A 487 11.757 -0.267 -22.492 1.00 27.98 P +HETATM 3761 O1A ADP A 487 12.651 0.941 -22.542 1.00 25.34 O +HETATM 3762 O2A ADP A 487 10.358 -0.256 -23.042 1.00 26.73 O +HETATM 3763 O3A ADP A 487 12.521 -1.548 -23.140 1.00 25.02 O +HETATM 3764 O5' ADP A 487 11.677 -0.632 -20.931 1.00 27.07 O +HETATM 3765 C5' ADP A 487 10.901 -1.739 -20.470 1.00 27.36 C +HETATM 3766 C4' ADP A 487 10.700 -1.620 -18.960 1.00 27.10 C +HETATM 3767 O4' ADP A 487 9.904 -0.455 -18.708 1.00 27.17 O +HETATM 3768 C3' ADP A 487 9.931 -2.807 -18.370 1.00 26.86 C +HETATM 3769 O3' ADP A 487 10.511 -3.174 -17.109 1.00 27.10 O +HETATM 3770 C2' ADP A 487 8.553 -2.227 -18.089 1.00 27.38 C +HETATM 3771 O2' ADP A 487 7.859 -2.916 -17.045 1.00 27.04 O +HETATM 3772 C1' ADP A 487 8.920 -0.792 -17.739 1.00 27.48 C +HETATM 3773 N9 ADP A 487 7.769 0.116 -17.846 1.00 27.82 N +HETATM 3774 C8 ADP A 487 7.030 0.365 -18.952 1.00 27.43 C +HETATM 3775 N7 ADP A 487 6.051 1.260 -18.667 1.00 28.67 N +HETATM 3776 C5 ADP A 487 6.174 1.600 -17.366 1.00 27.97 C +HETATM 3777 C6 ADP A 487 5.460 2.499 -16.427 1.00 28.23 C +HETATM 3778 N6 ADP A 487 4.388 3.230 -16.823 1.00 27.65 N +HETATM 3779 N1 ADP A 487 5.908 2.552 -15.143 1.00 27.82 N +HETATM 3780 C2 ADP A 487 6.970 1.828 -14.724 1.00 28.05 C +HETATM 3781 N3 ADP A 487 7.670 0.988 -15.525 1.00 27.73 N +HETATM 3782 C4 ADP A 487 7.309 0.836 -16.829 1.00 28.24 C +HETATM 3783 C ACY A1022 1.130 -7.237 -35.872 1.00 28.46 C +HETATM 3784 O ACY A1022 0.579 -6.684 -36.860 1.00 29.33 O +HETATM 3785 OXT ACY A1022 0.973 -6.931 -34.666 1.00 27.45 O +HETATM 3786 CH3 ACY A1022 2.074 -8.344 -36.169 1.00 27.77 C +HETATM 3787 C1 GOL A3147 10.537 -6.459 -17.064 1.00 29.52 C +HETATM 3788 O1 GOL A3147 9.731 -5.533 -16.341 1.00 22.93 O +HETATM 3789 C2 GOL A3147 9.698 -7.261 -18.062 1.00 31.16 C +HETATM 3790 O2 GOL A3147 8.927 -6.393 -18.872 1.00 33.12 O +HETATM 3791 C3 GOL A3147 10.606 -8.074 -18.977 1.00 31.72 C +HETATM 3792 O3 GOL A3147 9.801 -8.803 -19.877 1.00 33.36 O +HETATM 3793 C1 GOL A3148 24.075 -6.173 -24.623 1.00 23.68 C +HETATM 3794 O1 GOL A3148 25.479 -6.435 -24.687 1.00 26.35 O +HETATM 3795 C2 GOL A3148 23.547 -6.173 -23.191 1.00 24.45 C +HETATM 3796 O2 GOL A3148 24.316 -5.387 -22.293 1.00 26.09 O +HETATM 3797 C3 GOL A3148 22.090 -5.697 -23.209 1.00 21.64 C +HETATM 3798 O3 GOL A3148 21.320 -6.558 -24.021 1.00 22.30 O +HETATM 3799 O HOH A3149 19.832 -3.464 -30.795 1.00 13.56 O +HETATM 3800 O HOH A3150 17.830 -0.716 -29.878 1.00 15.58 O +HETATM 3801 O HOH A3151 20.940 -5.990 -31.139 1.00 16.24 O +HETATM 3802 O HOH A3152 11.911 3.198 -28.421 1.00 15.69 O +HETATM 3803 O HOH A3153 16.695 -7.886 -28.839 1.00 15.45 O +HETATM 3804 O HOH A3154 5.998 -0.192 -32.031 1.00 14.96 O +HETATM 3805 O HOH A3155 4.713 -2.531 -30.873 1.00 17.79 O +HETATM 3806 O HOH A3156 25.665 4.101 -23.259 1.00 20.25 O +HETATM 3807 O HOH A3157 23.851 3.360 -25.120 1.00 17.02 O +HETATM 3808 O HOH A3158 15.965 -10.264 -29.903 1.00 18.97 O +HETATM 3809 O HOH A3159 19.200 -8.133 -30.416 1.00 17.70 O +HETATM 3810 O HOH A3160 25.825 -8.661 -27.010 1.00 19.22 O +HETATM 3811 O HOH A3161 16.915 -9.383 -26.443 1.00 15.00 O +HETATM 3812 O HOH A3162 21.356 2.411 -24.414 1.00 22.50 O +HETATM 3813 O HOH A3163 24.125 -0.786 -19.180 1.00 24.09 O +HETATM 3814 O HOH A3164 25.913 2.652 -20.892 1.00 20.16 O +HETATM 3815 O HOH A3165 16.808 -3.037 -21.086 1.00 18.51 O +HETATM 3816 O HOH A3166 22.121 6.418 -22.416 1.00 21.49 O +HETATM 3817 O HOH A3167 16.570 -0.234 -26.433 1.00 14.99 O +HETATM 3818 O HOH A3168 25.619 -12.990 -22.682 1.00 23.21 O +HETATM 3819 O HOH A3169 10.690 6.844 -40.896 1.00 21.53 O +HETATM 3820 O HOH A3170 13.202 4.345 -26.038 1.00 19.04 O +HETATM 3821 O HOH A3171 11.680 11.141 -23.726 1.00 25.95 O +HETATM 3822 O HOH A3172 20.294 -17.432 -40.886 1.00 22.33 O +HETATM 3823 O HOH A3173 20.567 4.906 -24.172 1.00 17.69 O +HETATM 3824 O HOH A3174 22.159 -1.438 -22.903 1.00 18.63 O +HETATM 3825 O HOH A3175 10.055 -0.420 -14.355 1.00 22.20 O +HETATM 3826 O HOH A3176 23.181 8.596 -40.181 1.00 24.80 O +HETATM 3827 O HOH A3177 15.429 -11.503 -27.458 1.00 18.80 O +HETATM 3828 O HOH A3178 27.134 1.763 -35.978 1.00 21.25 O +HETATM 3829 O HOH A3179 23.879 11.351 -40.295 1.00 20.29 O +HETATM 3830 O HOH A3180 24.963 6.932 -33.741 1.00 20.70 O +HETATM 3831 O HOH A3181 26.460 8.479 -31.809 1.00 25.22 O +HETATM 3832 O HOH A3182 10.367 0.185 -25.832 1.00 20.44 O +HETATM 3833 O HOH A3183 2.586 -8.700 -30.011 1.00 25.50 O +HETATM 3834 O HOH A3184 -4.048 -2.245 -32.476 1.00 17.94 O +HETATM 3835 O HOH A3185 24.752 -9.065 -20.646 1.00 26.01 O +HETATM 3836 O HOH A3186 26.133 5.073 -37.424 1.00 20.07 O +HETATM 3837 O HOH A3187 17.469 -8.509 -19.422 1.00 24.64 O +HETATM 3838 O HOH A3188 25.591 0.860 -40.140 1.00 23.16 O +HETATM 3839 O HOH A3189 31.630 -9.033 -28.767 1.00 24.55 O +HETATM 3840 O HOH A3190 23.994 -8.388 -43.362 1.00 30.18 O +HETATM 3841 O HOH A3191 3.506 -5.102 -25.261 1.00 22.43 O +HETATM 3842 O HOH A3192 11.348 -6.701 -47.117 1.00 28.33 O +HETATM 3843 O HOH A3193 14.475 1.736 -25.264 1.00 21.31 O +HETATM 3844 O HOH A3194 7.988 0.181 -21.958 1.00 25.49 O +HETATM 3845 O HOH A3195 0.993 -8.385 -32.395 1.00 25.09 O +HETATM 3846 O HOH A3196 13.312 -13.766 -39.317 1.00 25.33 O +HETATM 3847 O HOH A3197 36.556 -4.111 -36.560 1.00 26.93 O +HETATM 3848 O HOH A3198 24.225 8.709 -35.835 1.00 23.15 O +HETATM 3849 O HOH A3199 16.128 13.325 -46.741 1.00 28.45 O +HETATM 3850 O HOH A3200 1.043 0.983 -25.935 1.00 26.18 O +HETATM 3851 O HOH A3201 12.983 -9.943 -20.711 1.00 29.54 O +HETATM 3852 O HOH A3202 -0.482 2.867 -34.536 1.00 27.16 O +HETATM 3853 O HOH A3203 0.345 -2.777 -36.788 1.00 22.82 O +HETATM 3854 O HOH A3204 5.836 2.590 -10.957 1.00 27.93 O +HETATM 3855 O HOH A3205 14.819 -9.953 -22.682 1.00 24.66 O +HETATM 3856 O HOH A3206 25.693 -13.191 -32.898 1.00 26.69 O +HETATM 3857 O HOH A3207 13.660 -14.777 -41.782 1.00 31.03 O +HETATM 3858 O HOH A3208 31.842 -0.105 -32.967 1.00 25.75 O +HETATM 3859 O HOH A3209 26.888 5.210 -34.664 1.00 28.18 O +HETATM 3860 O HOH A3210 11.343 -18.451 -20.854 1.00 33.21 O +HETATM 3861 O HOH A3211 26.974 -0.410 -18.673 1.00 28.49 O +HETATM 3862 O HOH A3212 2.478 -15.259 -16.472 1.00 30.74 O +HETATM 3863 O HOH A3213 18.417 -6.561 -15.233 1.00 26.12 O +HETATM 3864 O HOH A3214 2.872 8.136 -32.218 1.00 26.25 O +HETATM 3865 O HOH A3215 25.939 -8.853 -23.683 1.00 30.63 O +HETATM 3866 O HOH A3216 15.681 -7.494 -7.487 1.00 30.75 O +HETATM 3867 O HOH A3217 11.429 7.053 -45.728 1.00 35.77 O +HETATM 3868 O HOH A3218 6.168 -17.087 -36.408 1.00 33.55 O +HETATM 3869 O HOH A3219 7.346 6.298 -7.801 1.00 30.11 O +HETATM 3870 O HOH A3220 21.938 -21.025 -39.738 1.00 31.17 O +HETATM 3871 O HOH A3221 5.024 11.199 -46.255 1.00 29.76 O +HETATM 3872 O HOH A3222 16.526 16.811 -42.630 1.00 37.17 O +HETATM 3873 O HOH A3223 20.842 -22.121 -37.095 1.00 29.09 O +HETATM 3874 O HOH A3224 5.627 4.356 -8.806 1.00 29.31 O +HETATM 3875 O HOH A3225 10.870 0.512 -46.780 1.00 31.40 O +HETATM 3876 O HOH A3226 30.385 -3.380 -37.627 1.00 28.23 O +HETATM 3877 O HOH A3227 4.623 3.245 -24.945 1.00 30.40 O +HETATM 3878 O HOH A3228 9.447 -7.959 -22.244 1.00 29.98 O +HETATM 3879 O HOH A3229 21.297 -20.807 -20.532 1.00 34.37 O +HETATM 3880 O HOH A3230 3.157 -14.540 -32.978 1.00 32.59 O +HETATM 3881 O HOH A3231 15.905 -24.682 -24.001 1.00 35.29 O +HETATM 3882 O HOH A3232 16.332 -9.063 -9.498 1.00 31.48 O +HETATM 3883 O HOH A3233 17.003 19.367 -19.591 1.00 34.07 O +HETATM 3884 O HOH A3234 1.109 8.154 -40.827 1.00 32.46 O +HETATM 3885 O HOH A3235 5.969 8.922 -29.346 1.00 31.66 O +HETATM 3886 O HOH A3236 19.472 13.752 -37.867 1.00 27.49 O +HETATM 3887 O HOH A3237 23.013 12.240 -37.713 1.00 29.52 O +HETATM 3888 O HOH A3238 34.010 -19.319 -27.997 1.00 32.49 O +HETATM 3889 O HOH A3239 12.340 4.703 -3.054 1.00 34.93 O +HETATM 3890 O HOH A3240 6.947 -21.832 -15.390 1.00 39.73 O +HETATM 3891 O HOH A3241 26.693 -16.000 -34.400 1.00 36.79 O +HETATM 3892 O HOH A3242 3.103 -8.862 -23.299 1.00 29.86 O +HETATM 3893 O HOH A3243 22.838 -11.965 -42.653 1.00 26.69 O +HETATM 3894 O HOH A3244 1.588 -7.351 -41.466 1.00 28.89 O +HETATM 3895 O HOH A3245 -4.255 0.336 -31.733 1.00 32.05 O +HETATM 3896 O HOH A3246 33.263 6.680 -20.562 1.00 36.17 O +HETATM 3897 O HOH A3247 2.956 -5.259 -17.578 1.00 38.70 O +HETATM 3898 O HOH A3248 26.685 -7.613 -19.361 1.00 32.61 O +HETATM 3899 O HOH A3249 4.260 -18.052 -0.578 1.00 38.61 O +HETATM 3900 O HOH A3250 22.811 14.815 -37.013 1.00 32.91 O +HETATM 3901 O HOH A3251 7.002 -24.720 -14.980 1.00 35.15 O +HETATM 3902 O HOH A3252 28.186 0.046 -37.770 1.00 29.64 O +HETATM 3903 O HOH A3253 23.691 20.698 -33.309 1.00 37.63 O +HETATM 3904 O HOH A3254 0.627 4.144 -46.317 1.00 36.18 O +HETATM 3905 O HOH A3255 27.178 -6.025 -21.974 1.00 30.28 O +HETATM 3906 O HOH A3256 3.259 -8.211 -43.587 1.00 32.12 O +HETATM 3907 O HOH A3257 29.587 -10.233 -35.804 1.00 31.49 O +HETATM 3908 O HOH A3258 30.337 -4.125 -25.942 1.00 29.54 O +HETATM 3909 O HOH A3259 11.670 -7.553 -1.797 1.00 29.89 O +HETATM 3910 O HOH A3260 -12.178 -15.654 -12.990 1.00 41.25 O +HETATM 3911 O HOH A3261 24.794 -24.199 -36.769 1.00 35.71 O +HETATM 3912 O HOH A3262 21.234 1.211 -8.554 1.00 33.63 O +HETATM 3913 O HOH A3263 1.147 10.441 -37.056 1.00 36.77 O +HETATM 3914 O HOH A3264 -4.832 -19.806 5.609 1.00 32.86 O +HETATM 3915 O HOH A3265 20.903 -8.424 -48.559 1.00 32.53 O +HETATM 3916 O HOH A3266 11.576 -20.181 -37.501 1.00 47.17 O +HETATM 3917 O HOH A3267 24.159 2.827 -45.793 1.00 37.88 O +HETATM 3918 O HOH A3268 -1.723 -6.735 -11.652 1.00 34.78 O +HETATM 3919 O HOH A3269 -0.450 5.115 -43.061 1.00 34.64 O +HETATM 3920 O HOH A3270 27.862 12.735 -35.838 1.00 29.83 O +HETATM 3921 O HOH A3271 2.121 10.337 -39.447 1.00 35.70 O +HETATM 3922 O HOH A3272 2.239 -10.125 -38.058 1.00 33.82 O +HETATM 3923 O HOH A3273 20.867 21.053 -26.902 1.00 55.27 O +HETATM 3924 O HOH A3274 3.744 -7.232 -21.260 1.00 39.24 O +HETATM 3925 O HOH A3275 2.622 -16.762 -18.752 1.00 32.81 O +HETATM 3926 O HOH A3276 9.055 -9.265 -15.109 1.00 33.93 O +HETATM 3927 O HOH A3277 6.647 -26.598 -26.130 1.00 37.65 O +HETATM 3928 O HOH A3278 28.123 2.001 -39.690 1.00 29.95 O +HETATM 3929 O HOH A3279 25.338 11.926 -36.431 1.00 41.10 O +HETATM 3930 O HOH A3280 28.482 1.253 -20.955 1.00 40.73 O +HETATM 3931 O HOH A3281 1.309 5.354 -1.626 1.00 39.00 O +HETATM 3932 O HOH A3282 35.642 -16.419 -26.123 1.00 44.00 O +HETATM 3933 O HOH A3283 9.955 17.494 -22.504 1.00 39.14 O +HETATM 3934 O HOH A3284 -5.319 -16.040 7.037 1.00 46.66 O +HETATM 3935 O HOH A3285 22.706 -22.893 -20.964 1.00 38.67 O +HETATM 3936 O HOH A3286 15.113 5.870 -3.460 1.00 36.58 O +HETATM 3937 O HOH A3287 0.025 -21.030 -10.916 1.00 36.49 O +HETATM 3938 O HOH A3288 24.279 21.571 -30.326 1.00 32.42 O +HETATM 3939 O HOH A3289 13.395 -9.020 -3.163 1.00 41.49 O +HETATM 3940 O HOH A3290 6.049 -1.704 -22.327 1.00 30.96 O +HETATM 3941 O HOH A3291 -0.146 -16.776 -25.701 1.00 35.11 O +HETATM 3942 O HOH A3292 29.869 11.099 -34.651 1.00 38.29 O +HETATM 3943 O HOH A3293 28.856 -21.967 -35.668 1.00 42.85 O +HETATM 3944 O HOH A3294 2.659 -22.458 -25.091 1.00 40.15 O +HETATM 3945 O HOH A3295 -3.285 -6.053 -38.169 1.00 29.10 O +HETATM 3946 O HOH A3296 6.109 -12.434 -37.090 1.00 39.97 O +HETATM 3947 O HOH A3297 5.408 10.499 -27.260 1.00 39.31 O +HETATM 3948 O HOH A3298 21.063 -2.538 -0.502 1.00 47.92 O +HETATM 3949 O HOH A3299 6.607 13.827 -44.720 1.00 38.51 O +HETATM 3950 O HOH A3300 23.590 18.836 -44.434 1.00 35.91 O +HETATM 3951 O HOH A3301 12.805 -5.340 -0.880 1.00 34.04 O +HETATM 3952 O HOH A3302 25.760 -12.054 -15.671 1.00 39.87 O +HETATM 3953 O HOH A3303 22.794 -16.634 -41.542 1.00 30.94 O +HETATM 3954 O HOH A3304 23.153 2.156 -10.569 1.00 40.91 O +HETATM 3955 O HOH A3305 19.691 -8.244 -11.953 1.00 38.73 O +HETATM 3956 O HOH A3306 4.812 2.030 -21.141 1.00 32.19 O +HETATM 3957 O HOH A3307 1.332 -11.232 -30.026 1.00 35.03 O +HETATM 3958 O HOH A3308 22.340 20.315 -46.195 1.00 38.44 O +HETATM 3959 O HOH A3309 31.587 6.666 -17.580 1.00 39.36 O +HETATM 3960 O HOH A3310 5.315 8.087 -2.562 1.00 39.11 O +HETATM 3961 O HOH A3311 -0.651 -13.367 -13.771 1.00 37.17 O +HETATM 3962 O HOH A3312 -0.222 -11.046 -34.235 1.00 30.98 O +HETATM 3963 O HOH A3313 6.286 -15.609 4.959 1.00 52.05 O +HETATM 3964 O HOH A3314 -3.375 -2.327 -12.297 1.00 38.22 O +HETATM 3965 O HOH A3315 35.043 7.391 -13.407 1.00 60.30 O +HETATM 3966 O HOH A3316 32.948 -11.464 -30.928 1.00 29.51 O +HETATM 3967 O HOH A3317 10.765 -10.174 -41.995 1.00 50.78 O +HETATM 3968 O HOH A3318 30.920 3.294 -24.767 1.00 37.39 O +HETATM 3969 O HOH A3319 3.449 -12.664 -35.185 1.00 35.08 O +HETATM 3970 O HOH A3320 8.048 -26.974 -28.399 1.00 44.32 O +HETATM 3971 O HOH A3321 32.799 -6.580 -37.605 1.00 33.84 O +HETATM 3972 O HOH A3322 20.141 5.438 -47.879 1.00 31.57 O +HETATM 3973 O HOH A3323 24.594 -0.045 -43.114 1.00 44.46 O +HETATM 3974 O HOH A3324 27.840 20.325 -39.190 1.00 57.21 O +HETATM 3975 O HOH A3325 28.716 9.440 -32.497 1.00 43.89 O +HETATM 3976 O HOH A3326 28.886 3.071 -14.264 1.00 38.33 O +HETATM 3977 O HOH A3327 -1.680 -17.926 9.080 1.00 39.67 O +HETATM 3978 O HOH A3328 2.299 -7.667 -16.861 1.00 36.71 O +HETATM 3979 O HOH A3329 -2.508 -8.726 -37.613 1.00 41.49 O +HETATM 3980 O HOH A3330 4.896 -9.560 2.635 1.00 47.09 O +HETATM 3981 O HOH A3331 32.043 -9.019 -37.176 1.00 40.96 O +HETATM 3982 O HOH A3332 31.436 9.456 -30.813 1.00 44.91 O +HETATM 3983 O HOH A3333 2.948 3.017 -19.328 1.00 39.57 O +HETATM 3984 O HOH A3334 30.535 -0.927 -37.055 1.00 40.98 O +HETATM 3985 O HOH A3335 22.614 21.263 -15.748 1.00 43.23 O +HETATM 3986 O HOH A3336 30.299 17.199 -31.250 1.00 42.04 O +HETATM 3987 O HOH A3337 30.721 13.591 -11.139 1.00 40.51 O +HETATM 3988 O HOH A3338 19.308 23.053 -24.650 1.00 45.84 O +HETATM 3989 O HOH A3339 17.959 -23.916 -37.164 1.00 40.93 O +HETATM 3990 O HOH A3340 6.660 -9.669 -16.229 1.00 39.18 O +HETATM 3991 O HOH A3341 20.641 -5.443 -44.575 1.00 39.37 O +HETATM 3992 O HOH A3342 0.042 -5.969 0.210 1.00 39.68 O +HETATM 3993 O HOH A3343 2.745 7.781 -2.674 1.00 51.86 O +HETATM 3994 O HOH A3344 11.167 -15.337 -39.379 1.00 44.19 O +HETATM 3995 O HOH A3345 7.208 1.206 -47.049 1.00 37.29 O +HETATM 3996 O HOH A3346 15.099 23.802 -16.394 1.00 46.71 O +HETATM 3997 O HOH A3347 -2.465 -4.283 -10.981 1.00 43.44 O +HETATM 3998 O HOH A3348 32.356 12.685 -8.946 1.00 39.24 O +HETATM 3999 O HOH A3349 -1.500 -11.881 -29.232 1.00 44.23 O +HETATM 4000 O HOH A3350 2.529 -8.426 2.874 1.00 44.34 O +HETATM 4001 O HOH A3351 8.233 -25.771 -10.625 1.00 43.07 O +HETATM 4002 O HOH A3352 32.208 17.342 -29.444 1.00 46.41 O +HETATM 4003 O HOH A3353 -4.267 7.312 -7.085 1.00 44.53 O +HETATM 4004 O HOH A3354 7.160 -24.353 -3.447 1.00 47.17 O +HETATM 4005 O HOH A3355 10.852 17.562 -15.481 1.00 43.65 O +HETATM 4006 O HOH A3356 24.097 -14.042 -41.206 1.00 37.05 O +HETATM 4007 O HOH A3357 27.684 -26.488 -25.416 1.00 39.88 O +HETATM 4008 O HOH A3358 8.994 -25.607 -21.169 1.00 41.63 O +HETATM 4009 O HOH A3359 27.669 -2.575 -38.694 1.00 40.81 O +HETATM 4010 O HOH A3360 10.135 7.841 -43.742 1.00 40.79 O +HETATM 4011 O HOH A3361 15.003 -23.960 -38.514 1.00 46.57 O +HETATM 4012 O HOH A3362 11.261 5.563 -0.618 1.00 38.85 O +HETATM 4013 O HOH A3363 8.231 12.076 -45.855 1.00 37.89 O +HETATM 4014 O HOH A3364 4.485 10.370 -5.511 1.00 44.76 O +HETATM 4015 O HOH A3365 1.141 -1.486 0.208 1.00 38.30 O +HETATM 4016 O HOH A3366 28.416 15.279 -10.133 1.00 48.15 O +HETATM 4017 O HOH A3367 9.176 -13.544 -36.946 1.00 38.89 O +HETATM 4018 O HOH A3368 6.632 -14.308 -15.821 1.00 52.35 O +HETATM 4019 O HOH A3369 0.328 -3.484 -18.246 1.00 48.46 O +HETATM 4020 O HOH A3370 31.817 1.357 -29.168 1.00 47.44 O +HETATM 4021 O HOH A3371 2.008 0.579 -19.367 1.00 43.58 O +HETATM 4022 O HOH A3372 29.659 4.714 -32.031 1.00 35.40 O +HETATM 4023 O HOH A3373 2.108 16.818 -40.469 1.00 48.59 O +HETATM 4024 O HOH A3374 13.646 -9.319 -18.006 1.00 51.65 O +HETATM 4025 O HOH A3375 3.417 6.716 -17.155 1.00 44.22 O +HETATM 4026 O HOH A3376 3.647 0.197 -24.854 1.00 49.72 O +HETATM 4027 O HOH A3377 12.604 15.491 -34.537 1.00 44.55 O +HETATM 4028 O HOH A3378 9.169 -14.814 -15.759 1.00 50.54 O +HETATM 4029 O HOH A3379 -5.848 -14.918 -12.912 1.00 45.22 O +HETATM 4030 O HOH A3380 -4.441 -27.365 -0.177 1.00 47.53 O +HETATM 4031 O HOH A3381 2.199 2.155 2.317 1.00 42.42 O +HETATM 4032 O HOH A3382 15.235 14.164 -51.428 1.00 47.04 O +HETATM 4033 O HOH A3383 -2.492 -3.152 -43.904 1.00 47.49 O +HETATM 4034 O HOH A3384 -1.275 5.806 -1.463 1.00 50.17 O +HETATM 4035 O HOH A3385 37.841 10.371 -14.942 1.00 49.11 O +HETATM 4036 O HOH A3386 11.593 -24.545 -8.622 1.00 63.75 O +HETATM 4037 O HOH A3387 29.608 6.400 -34.406 1.00 42.25 O +HETATM 4038 O HOH A3388 1.467 -19.182 -19.292 1.00 45.29 O +HETATM 4039 O HOH A3389 13.979 19.160 -8.044 1.00 45.19 O +HETATM 4040 O HOH A3390 2.814 7.215 -29.467 1.00 27.37 O +HETATM 4041 O HOH A3391 16.598 15.823 -35.115 1.00 28.47 O +HETATM 4042 O HOH A3392 3.346 -4.686 -22.504 1.00 38.10 O +HETATM 4043 O HOH A3393 24.190 24.076 -30.399 1.00 41.71 O +HETATM 4044 O HOH A3394 1.055 -23.062 -29.676 1.00 48.81 O +HETATM 4045 O HOH A3395 31.071 2.557 -33.650 1.00 39.25 O +HETATM 4046 O HOH A3396 10.261 -29.219 -24.158 1.00 45.86 O +HETATM 4047 O HOH A3397 -5.136 -1.612 -9.975 1.00 39.87 O +HETATM 4048 O HOH A3398 -1.916 14.028 -36.689 1.00 45.08 O +HETATM 4049 O HOH A3399 12.888 -22.658 -15.481 1.00 43.62 O +HETATM 4050 O HOH A3400 17.090 -11.241 -17.951 1.00 38.35 O +HETATM 4051 O HOH A3401 15.690 22.333 -18.718 1.00 45.23 O +HETATM 4052 O HOH A3402 10.550 -8.682 0.430 1.00 34.42 O +HETATM 4053 O HOH A3403 32.405 1.189 -23.416 1.00 47.26 O +HETATM 4054 O HOH A3404 20.135 26.857 -32.384 1.00 49.34 O +HETATM 4055 O HOH A3405 4.542 9.803 -31.842 1.00 35.39 O +HETATM 4056 O HOH A3406 -5.223 1.545 -9.022 1.00 46.02 O +HETATM 4057 O HOH A3407 13.145 19.574 -28.217 1.00 41.44 O +HETATM 4058 O HOH A3408 14.397 -12.434 -12.835 1.00 43.20 O +HETATM 4059 O HOH A3409 0.052 15.869 -44.472 1.00 44.64 O +HETATM 4060 O HOH A3410 28.611 -11.007 -41.111 1.00 44.72 O +HETATM 4061 O HOH A3411 6.804 -8.063 -46.975 1.00 39.34 O +HETATM 4062 O HOH A3412 32.093 15.871 -12.628 1.00 50.71 O +HETATM 4063 O HOH A3413 11.468 -16.991 -18.596 1.00 46.22 O +HETATM 4064 O HOH A3414 37.276 -16.490 -22.957 1.00 45.60 O +HETATM 4065 O HOH A3415 29.726 -5.158 -23.411 1.00 50.77 O +HETATM 4066 O HOH A3416 -2.652 -29.273 -0.720 1.00 51.32 O +HETATM 4067 O HOH A3417 22.294 20.355 -28.872 1.00 42.28 O +HETATM 4068 O HOH A3418 27.869 -11.249 -37.673 1.00 41.43 O +HETATM 4069 O HOH A3419 16.015 23.681 -49.052 1.00 54.46 O +HETATM 4070 O HOH A3420 -7.324 -24.630 -1.822 1.00 44.32 O +HETATM 4071 O HOH A3421 -0.494 -19.426 -21.615 1.00 44.71 O +HETATM 4072 O HOH A3422 33.761 -21.378 -21.802 1.00 50.50 O +HETATM 4073 O HOH A3423 7.409 -10.863 -42.747 1.00 46.17 O +HETATM 4074 O HOH A3424 5.967 13.908 -34.736 1.00 38.36 O +HETATM 4075 O HOH A3425 38.642 -21.444 -23.127 1.00 49.04 O +HETATM 4076 O HOH A3426 26.007 -5.388 -12.625 1.00 44.17 O +HETATM 4077 O HOH A3427 29.925 5.083 -28.362 1.00 44.92 O +HETATM 4078 O HOH A3428 1.784 -0.472 2.654 1.00 44.69 O +HETATM 4079 O HOH A3429 35.843 -13.126 -21.940 1.00 40.24 O +HETATM 4080 O HOH A3430 7.619 -8.719 -44.217 1.00 46.19 O +HETATM 4081 O HOH A3431 34.820 8.828 -21.380 1.00 34.04 O +HETATM 4082 O HOH A3432 26.049 23.678 -32.602 1.00 49.32 O +HETATM 4083 O HOH A3433 17.399 2.034 -24.884 1.00 17.51 O +HETATM 4084 O HOH A3434 22.040 12.497 -41.825 1.00 29.48 O +HETATM 4085 O HOH A3435 15.613 1.271 -22.597 1.00 18.24 O +HETATM 4086 O HOH B 21 26.598 11.701 -40.937 1.00 19.59 O +HETATM 4087 O HOH B 22 32.685 13.575 -61.223 1.00 26.55 O +HETATM 4088 O HOH B 27 25.118 7.521 -38.299 1.00 20.94 O +HETATM 4089 O HOH B 31 16.711 15.761 -68.425 1.00 24.80 O +HETATM 4090 O HOH B 37 30.383 9.066 -46.699 1.00 21.42 O +HETATM 4091 O HOH B 43 18.156 17.710 -61.609 1.00 25.69 O +HETATM 4092 O HOH B 44 20.540 17.161 -65.737 1.00 20.31 O +HETATM 4093 O HOH B 46 28.293 4.667 -39.073 1.00 21.70 O +HETATM 4094 O HOH B 52 18.129 18.280 -64.422 1.00 25.47 O +HETATM 4095 O HOH B 53 32.502 14.138 -37.609 1.00 28.50 O +HETATM 4096 O HOH B 69 23.038 4.084 -53.901 1.00 35.61 O +HETATM 4097 O HOH B 81 23.130 20.711 -48.883 1.00 28.21 O +HETATM 4098 O HOH B 83 32.688 7.801 -45.953 1.00 28.49 O +HETATM 4099 O HOH B 92 16.499 13.266 -69.086 1.00 26.62 O +HETATM 4100 O HOH B 97 21.056 21.357 -50.559 1.00 27.93 O +HETATM 4101 O HOH B 100 32.778 17.613 -40.616 1.00 27.41 O +HETATM 4102 O HOH B 101 22.723 22.561 -57.303 1.00 30.47 O +HETATM 4103 O HOH B 118 26.312 18.309 -40.269 1.00 38.53 O +HETATM 4104 O HOH B 121 24.355 22.973 -48.176 1.00 31.49 O +HETATM 4105 O HOH B 129 25.724 14.150 -38.131 1.00 29.63 O +HETATM 4106 O HOH B 141 32.917 7.080 -49.016 1.00 34.19 O +HETATM 4107 O HOH B 142 26.766 4.088 -45.841 1.00 30.52 O +HETATM 4108 O HOH B 148 17.178 14.467 -49.056 1.00 40.67 O +HETATM 4109 O HOH B 149 17.697 16.775 -49.559 1.00 37.99 O +HETATM 4110 O HOH B 157 30.524 4.727 -54.993 1.00 47.14 O +HETATM 4111 O HOH B 162 14.281 8.380 -72.249 1.00 41.57 O +HETATM 4112 O HOH B 174 25.169 2.628 -59.764 1.00 36.13 O +HETATM 4113 O HOH B 176 16.304 7.234 -64.533 1.00 38.31 O +HETATM 4114 O HOH B 180 26.064 19.169 -42.803 1.00 34.52 O +HETATM 4115 O HOH B 184 33.031 16.666 -37.829 1.00 34.97 O +HETATM 4116 O HOH B 192 37.024 17.446 -44.867 1.00 39.43 O +HETATM 4117 O HOH B 194 27.467 6.224 -66.996 1.00 37.55 O +HETATM 4118 O HOH B 202 23.422 25.141 -49.752 1.00 36.07 O +HETATM 4119 O HOH B 205 32.317 23.089 -60.706 1.00 40.04 O +HETATM 4120 O HOH B 213 24.862 7.780 -73.919 1.00 37.14 O +HETATM 4121 O HOH B 215 37.531 11.670 -37.165 1.00 37.40 O +HETATM 4122 O HOH B 216 21.405 4.112 -71.350 1.00 39.74 O +HETATM 4123 O HOH B 222 34.430 18.083 -48.758 1.00 43.18 O +HETATM 4124 O HOH B 236 15.581 12.018 -53.805 1.00 44.15 O +HETATM 4125 O HOH B 239 35.206 7.367 -50.241 1.00 47.91 O +HETATM 4126 O HOH B 256 24.336 27.083 -51.650 1.00 37.96 O +HETATM 4127 O HOH B 263 20.389 2.892 -64.273 1.00 40.85 O +HETATM 4128 O HOH B 265 37.029 7.613 -44.886 1.00 44.54 O +HETATM 4129 O HOH B 270 32.807 20.202 -40.360 1.00 38.88 O +HETATM 4130 O HOH B 272 34.649 21.305 -50.592 1.00 44.44 O +HETATM 4131 O HOH B 277 32.301 7.747 -60.673 1.00 43.61 O +HETATM 4132 O HOH B 280 21.432 25.846 -56.938 1.00 46.47 O +HETATM 4133 O HOH B 282 33.380 9.759 -67.799 1.00 45.38 O +HETATM 4134 O HOH B 283 14.323 12.242 -67.610 1.00 37.38 O +HETATM 4135 O HOH B 294 37.854 7.303 -49.854 1.00 50.32 O +HETATM 4136 O HOH B 295 30.528 1.775 -49.654 1.00 55.50 O +HETATM 4137 O HOH B 298 19.449 22.987 -65.569 1.00 41.80 O +HETATM 4138 O HOH B 299 32.568 13.223 -71.379 1.00 41.21 O +HETATM 4139 O HOH B 302 32.015 4.804 -49.926 1.00 53.97 O +HETATM 4140 O HOH B 316 32.573 5.357 -56.739 1.00 48.80 O +HETATM 4141 O HOH B 320 37.320 12.148 -57.789 1.00 43.21 O +HETATM 4142 O HOH B 327 32.682 25.335 -55.916 1.00 42.22 O +HETATM 4143 O HOH B 329 29.614 20.096 -65.831 1.00 43.81 O +HETATM 4144 O HOH B 331 36.828 8.842 -47.745 1.00 35.44 O +HETATM 4145 O HOH B 336 25.575 29.047 -62.081 1.00 48.15 O +HETATM 4146 O HOH B 346 37.862 20.490 -51.075 1.00 53.02 O +CONECT 43 3753 +CONECT 73 3753 +CONECT 1286 3510 +CONECT 1496 3754 +CONECT 1523 3754 +CONECT 1543 3754 +CONECT 3510 1286 +CONECT 3748 3749 3750 3751 3752 +CONECT 3749 3748 +CONECT 3750 3748 +CONECT 3751 3748 +CONECT 3752 3748 3754 3755 +CONECT 3753 43 73 3759 3832 +CONECT 3754 1496 1523 1543 3752 +CONECT 3755 3752 3759 3817 3843 +CONECT 3755 4083 4085 +CONECT 3756 3757 3758 3759 3763 +CONECT 3757 3756 +CONECT 3758 3756 +CONECT 3759 3753 3755 3756 +CONECT 3760 3761 3762 3763 3764 +CONECT 3761 3760 +CONECT 3762 3760 +CONECT 3763 3756 3760 +CONECT 3764 3760 3765 +CONECT 3765 3764 3766 +CONECT 3766 3765 3767 3768 +CONECT 3767 3766 3772 +CONECT 3768 3766 3769 3770 +CONECT 3769 3768 +CONECT 3770 3768 3771 3772 +CONECT 3771 3770 +CONECT 3772 3767 3770 3773 +CONECT 3773 3772 3774 3782 +CONECT 3774 3773 3775 +CONECT 3775 3774 3776 +CONECT 3776 3775 3777 3782 +CONECT 3777 3776 3778 3779 +CONECT 3778 3777 +CONECT 3779 3777 3780 +CONECT 3780 3779 3781 +CONECT 3781 3780 3782 +CONECT 3782 3773 3776 3781 +CONECT 3783 3784 3785 3786 +CONECT 3784 3783 +CONECT 3785 3783 +CONECT 3786 3783 +CONECT 3787 3788 3789 +CONECT 3788 3787 +CONECT 3789 3787 3790 3791 +CONECT 3790 3789 +CONECT 3791 3789 3792 +CONECT 3792 3791 +CONECT 3793 3794 3795 +CONECT 3794 3793 +CONECT 3795 3793 3796 3797 +CONECT 3796 3795 +CONECT 3797 3795 3798 +CONECT 3798 3797 +CONECT 3817 3755 +CONECT 3832 3753 +CONECT 3843 3755 +CONECT 4083 3755 +CONECT 4085 3755 +MASTER 397 0 8 25 20 0 24 6 4144 2 64 39 +END diff --git a/lib/io/include/io/metadata/molecule.hpp b/lib/io/include/io/metadata/system.hpp similarity index 85% rename from lib/io/include/io/metadata/molecule.hpp rename to lib/io/include/io/metadata/system.hpp index 0b2f5b8d6..cd17b8e43 100644 --- a/lib/io/include/io/metadata/molecule.hpp +++ b/lib/io/include/io/metadata/system.hpp @@ -1,5 +1,5 @@ -#ifndef __VTX_IO_METADATA_MOLECULE__ -#define __VTX_IO_METADATA_MOLECULE__ +#ifndef __VTX_IO_METADATA_SYSTEM__ +#define __VTX_IO_METADATA_SYSTEM__ #include #include @@ -7,7 +7,7 @@ namespace VTX::IO::Metadata { - struct Molecule + struct System { public: FilePath path = FilePath(); diff --git a/lib/io/include/io/reader/molecule.hpp b/lib/io/include/io/reader/system.hpp similarity index 53% rename from lib/io/include/io/reader/molecule.hpp rename to lib/io/include/io/reader/system.hpp index ba116edc2..4bdb450d5 100644 --- a/lib/io/include/io/reader/molecule.hpp +++ b/lib/io/include/io/reader/system.hpp @@ -1,13 +1,13 @@ -#ifndef __VTX_IO_READER_MOLECULE__ -#define __VTX_IO_READER_MOLECULE__ +#ifndef __VTX_IO_READER_SYSTEM__ +#define __VTX_IO_READER_SYSTEM__ #include "io/core/reader/base_reader.hpp" -#include "io/metadata/molecule.hpp" +#include "io/metadata/system.hpp" #include "io/reader/chemfiles.hpp" #include "io/struct/_fwd.hpp" #include #include -#include +#include #include #include #include @@ -16,19 +16,19 @@ namespace VTX::IO::Reader { namespace ChemDB = VTX::Core::ChemDB; - class Molecule : public IO::Core::Reader::BaseReader + class System : public IO::Core::Reader::BaseReader { public: - Molecule() {}; + System() {}; - void readFile( const FilePath & p_path, VTX::Core::Struct::Molecule & p_molecule ); + void readFile( const FilePath & p_path, VTX::Core::Struct::System & p_system ); void readBuffer( - const std::string & p_buffer, - const FilePath & p_path, - VTX::Core::Struct::Molecule & p_molecule + const std::string & p_buffer, + const FilePath & p_path, + VTX::Core::Struct::System & p_system ); - void setConfiguration( const Struct::MoleculeConfiguration & p_configuration ) + void setConfiguration( const Struct::SystemConfiguration & p_configuration ) { _configuration = &p_configuration; } @@ -36,7 +36,7 @@ namespace VTX::IO::Reader const Reader::Chemfiles & getChemfilesReader() { return *_chemfilesReader; } private: - void _fillStructure( IO::Reader::Chemfiles & p_chemfileStruct, VTX::Core::Struct::Molecule & p_molecule ); + void _fillStructure( IO::Reader::Chemfiles & p_chemfileStruct, VTX::Core::Struct::System & p_system ); // TODO do this function here or in IO::Reader::ChemfilesTrajectory ? VTX::Core::ChemDB::Category::TYPE _findCategoryType( @@ -46,15 +46,15 @@ namespace VTX::IO::Reader // TODO do this function here or in IO::Reader::ChemfilesTrajectory ? void _readTrajectoryFrames( - IO::Reader::Chemfiles & p_chemfileStruct, - const std::vector> & p_targets, - const size_t p_trajectoryFrameStart + IO::Reader::Chemfiles & p_chemfileStruct, + const std::vector> & p_targets, + const size_t p_trajectoryFrameStart ); ChemDB::Atom::TYPE _getTypeInConfiguration( const IO::Reader::Chemfiles & p_chemfileStruct ) const; - std::unique_ptr _chemfilesReader = nullptr; - const Struct::MoleculeConfiguration * _configuration = nullptr; + std::unique_ptr _chemfilesReader = nullptr; + const Struct::SystemConfiguration * _configuration = nullptr; }; } // namespace VTX::IO::Reader #endif diff --git a/lib/io/include/io/struct/_fwd.hpp b/lib/io/include/io/struct/_fwd.hpp index 680a79ece..4bf7d62b8 100644 --- a/lib/io/include/io/struct/_fwd.hpp +++ b/lib/io/include/io/struct/_fwd.hpp @@ -1,6 +1,6 @@ namespace VTX::IO::Struct { - struct MoleculeConfiguration; + struct SystemConfiguration; struct ResidueData; struct BondData; diff --git a/lib/io/include/io/struct/molecule_configuration.hpp b/lib/io/include/io/struct/system_configuration.hpp similarity index 75% rename from lib/io/include/io/struct/molecule_configuration.hpp rename to lib/io/include/io/struct/system_configuration.hpp index 772b5f0c3..764333b28 100644 --- a/lib/io/include/io/struct/molecule_configuration.hpp +++ b/lib/io/include/io/struct/system_configuration.hpp @@ -1,5 +1,5 @@ -#ifndef __VTX_IO_STRUCT_MOLECULE_CONFIGURATION__ -#define __VTX_IO_STRUCT_MOLECULE_CONFIGURATION__ +#ifndef __VTX_IO_STRUCT_SYSTEM_CONFIGURATION__ +#define __VTX_IO_STRUCT_SYSTEM_CONFIGURATION__ #include #include @@ -7,7 +7,7 @@ namespace VTX::IO::Struct { - struct MoleculeConfiguration + struct SystemConfiguration { public: std::set solventAtomIds = std::set(); diff --git a/lib/io/include/io/util/secondary_structure.hpp b/lib/io/include/io/util/secondary_structure.hpp index 1d897a49b..bd4725a99 100644 --- a/lib/io/include/io/util/secondary_structure.hpp +++ b/lib/io/include/io/util/secondary_structure.hpp @@ -1,12 +1,12 @@ #ifndef __VTX_IO_UTIL_SECONDARY_STRUCTURE__ #define __VTX_IO_UTIL_SECONDARY_STRUCTURE__ -#include +#include namespace VTX::IO::Util::SecondaryStructure { - void computeStride( VTX::Core::Struct::Molecule & p_molecule ); + void computeStride( VTX::Core::Struct::System & p_system ); } // namespace VTX::IO::Util::SecondaryStructure diff --git a/lib/io/include/io/writer/chemfiles.hpp b/lib/io/include/io/writer/chemfiles.hpp index 453324d1a..a042249a7 100644 --- a/lib/io/include/io/writer/chemfiles.hpp +++ b/lib/io/include/io/writer/chemfiles.hpp @@ -1,28 +1,13 @@ #ifndef __VTX_IO_WRITER_CHEMFILES__ #define __VTX_IO_WRITER_CHEMFILES__ +#include #include #include namespace VTX::IO::Writer { - enum class E_BOND_ORDER - { - unknown, - single, - doubl, - triple, - quadruple, - quintuple, - down, - up, - dative_L, - dative_R, - amide, - aromatic, - }; - using PropertyValue = std::variant; /** * @brief Property that can be attached to various components of the system @@ -200,39 +185,13 @@ namespace VTX::IO::Writer }; /** - * @brief Allows to write a file containing molecule's structural information using the ChemfilesTrajectory library. This - * class is intended to cover needs in trajectory writing. It expect all the frames ( 1 or more) to have the same - * chemical configuration : no change in atoms, bond, residues, chains between frames. + * @brief Allows to write a file containing system's structural information using the ChemfilesTrajectory library. + * This class is intended to cover needs in trajectory writing. It expect all the frames ( 1 or more) to have the + * same chemical configuration : no change in atoms, bond, residues, chains between frames. */ class ChemfilesTrajectory { public: - enum class E_FILE_FORMATS - { - none, - pdb, - mmcif, - mmtf, - molden, - cif, - gro, - mol2, - sdf, - smi, - xyz, - cml, - cssr, - nc, - dcd, - lammpstrj, - arc, - trr, - xtc, - tng, - trj, - COUNT - }; - ChemfilesTrajectory(); /** diff --git a/lib/io/include/io/writer/shared.hpp b/lib/io/include/io/writer/shared.hpp new file mode 100644 index 000000000..18e6b93f7 --- /dev/null +++ b/lib/io/include/io/writer/shared.hpp @@ -0,0 +1,58 @@ +#ifndef __VTX_IO_WRITER_SHARED__ +#define __VTX_IO_WRITER_SHARED__ + +namespace VTX::IO::Writer +{ + enum class E_FILE_FORMATS + { + none, + pdb, + mmcif, + mmtf, + molden, + cif, + gro, + mol2, + sdf, + smi, + xyz, + cml, + cssr, + nc, + dcd, + lammpstrj, + arc, + trr, + xtc, + tng, + trj, + COUNT + }; + + enum class E_BOND_ORDER + { + unknown, + single, + doubl, + triple, + quadruple, + quintuple, + down, + up, + dative_L, + dative_R, + amide, + aromatic, + }; + + /** + * @brief Helps to know what type of structural data to write. In the future we will probably support docking + * results for instance + */ + enum class E_WRITE_TYPE + { + trajectory + }; +} // namespace VTX::IO::Writer + +#endif diff --git a/lib/io/include/io/writer/system.hpp b/lib/io/include/io/writer/system.hpp new file mode 100644 index 000000000..3759c18e8 --- /dev/null +++ b/lib/io/include/io/writer/system.hpp @@ -0,0 +1,40 @@ +#ifndef __VTX_IO_WRITER_SYSTEM__ +#define __VTX_IO_WRITER_SYSTEM__ +#include +#include +#include +#include + +namespace VTX::IO::Writer +{ + /** + * @brief Used in the context of a structural data export. Return whether the atom shall be included in the result + * or not. + */ + using AtomFilter = std::function; + + /** + * @brief Convenient function used to create the default AtomFilter callable. + * @return true + */ + inline bool returnTrue( const VTX::Core::Struct::System &, const size_t & ) noexcept { return true; } + const AtomFilter g_takeAllAtoms = AtomFilter( &returnTrue ); // default argument for the write atom filter + /** + * @brief Class responsible for writing structural data from a system + */ + struct WriteArgs + { + FilePath destination; + E_FILE_FORMATS format = E_FILE_FORMATS::none; + const VTX::Core::Struct::System * system = nullptr; + AtomFilter atomFilter = g_takeAllAtoms; + E_WRITE_TYPE writeType = E_WRITE_TYPE::trajectory; // Placeholder because at some point we will probably need to + // write docking results and stuff + Util::StopToken stopToken; + }; + + void writeFile( WriteArgs ); + +} // namespace VTX::IO::Writer + +#endif diff --git a/lib/io/src/io/reader/chemfiles.cpp b/lib/io/src/io/reader/chemfiles.cpp index ab6c35437..cc8fac781 100644 --- a/lib/io/src/io/reader/chemfiles.cpp +++ b/lib/io/src/io/reader/chemfiles.cpp @@ -109,7 +109,7 @@ namespace VTX::IO::Reader std::unique_ptr chemfilesReader = std::make_unique( p_path ); chrono.stop(); - VTX_INFO( "readFile : {}", Util::String::durationToStr( chrono.elapsedTime() ) ); + //VTX_INFO( "readFile : {}", Util::String::durationToStr( chrono.elapsedTime() ) ); return chemfilesReader; } @@ -148,25 +148,25 @@ namespace VTX::IO::Reader throw IOException( "Trajectory is empty" ); } - VTX_INFO( "{} frames found.", _readingData->_trajectory.nsteps() ); + // VTX_INFO( "{} frames found.", _readingData->_trajectory.nsteps() ); Util::Chrono chrono; chrono.start(); _preRead(); chrono.stop(); - VTX_INFO( "_preRead: {}", Util::String::durationToStr( chrono.elapsedTime() ) ); + // VTX_INFO( "_preRead: {}", Util::String::durationToStr( chrono.elapsedTime() ) ); chrono.start(); chemfiles::Frame frame; _read(); chrono.stop(); - VTX_INFO( "Trajectory read in: {}", Util::String::durationToStr( chrono.elapsedTime() ) ); + // VTX_INFO( "Trajectory read in: {}", Util::String::durationToStr( chrono.elapsedTime() ) ); chrono.start(); _postRead(); chrono.stop(); - VTX_INFO( "_postRead: {}", Util::String::durationToStr( chrono.elapsedTime() ) ); + // VTX_INFO( "_postRead: {}", Util::String::durationToStr( chrono.elapsedTime() ) ); } void Chemfiles::_preRead() @@ -233,7 +233,7 @@ namespace VTX::IO::Reader { propAtom += " " + it->first; } - VTX_DEBUG( "{}", propAtom ); + // VTX_DEBUG( "{}", propAtom ); } } @@ -248,7 +248,7 @@ namespace VTX::IO::Reader { propResidue += " " + it->first; } - VTX_DEBUG( "{}", propResidue ); + // VTX_DEBUG( "{}", propResidue ); } } diff --git a/lib/io/src/io/reader/molecule.cpp b/lib/io/src/io/reader/system.cpp similarity index 61% rename from lib/io/src/io/reader/molecule.cpp rename to lib/io/src/io/reader/system.cpp index 3a3c6c1c7..b7fa3d900 100644 --- a/lib/io/src/io/reader/molecule.cpp +++ b/lib/io/src/io/reader/system.cpp @@ -1,9 +1,10 @@ -#include "io/reader/molecule.hpp" -#include "io/struct/molecule_configuration.hpp" +#include "io/reader/system.hpp" +#include "io/struct/system_configuration.hpp" #include -#include +#include #include #include +#include #include #include #include @@ -11,39 +12,40 @@ namespace VTX::IO::Reader { - void Molecule::readFile( const FilePath & p_path, VTX::Core::Struct::Molecule & p_molecule ) + void System::readFile( const FilePath & p_path, VTX::Core::Struct::System & p_system ) { _chemfilesReader = Reader::Chemfiles::readFile( p_path ); - _fillStructure( *_chemfilesReader, p_molecule ); + _fillStructure( *_chemfilesReader, p_system ); } - void Molecule::readBuffer( - const std::string & p_buffer, - const FilePath & p_path, - VTX::Core::Struct::Molecule & p_molecule + void System::readBuffer( + const std::string & p_buffer, + const FilePath & p_path, + VTX::Core::Struct::System & p_system ) { _chemfilesReader = Reader::Chemfiles::readBuffer( p_buffer, p_path ); - _fillStructure( *_chemfilesReader, p_molecule ); + _fillStructure( *_chemfilesReader, p_system ); } - void Molecule::_fillStructure( IO::Reader::Chemfiles & p_chemfileStruct, VTX::Core::Struct::Molecule & p_molecule ) + void System::_fillStructure( IO::Reader::Chemfiles & p_chemfileStruct, VTX::Core::Struct::System & p_system ) { const std::string fileExtension = p_chemfileStruct.getPath().extension().string(); - size_t currentChainIndex = INVALID_INDEX; - std::string lastChainName = ""; - size_t currentChainResidueCount = 0; + size_t currentChainIndex = INVALID_INDEX; + + std::unordered_set seenChainNames; + size_t currentChainResidueCount = 0; std::map> mapResidueBonds = std::map>(); std::map> mapResidueExtraBonds = std::map>(); VTX::Core::ChemDB::Category::TYPE lastCategoryEnum = VTX::Core::ChemDB::Category::TYPE::UNKNOWN; - p_molecule.trajectory.frames.resize( p_chemfileStruct.getFrameCount() ); - p_molecule.initResidues( p_chemfileStruct.getResidueCount() ); - p_molecule.initAtoms( p_chemfileStruct.getAtomCount() ); + p_system.trajectory.frames.resize( p_chemfileStruct.getFrameCount() ); + p_system.initResidues( p_chemfileStruct.getResidueCount() ); + p_system.initAtoms( p_chemfileStruct.getAtomCount() ); - VTX::Core::Struct::Frame & modelFrame = p_molecule.trajectory.frames[ 0 ]; + VTX::Core::Struct::Frame & modelFrame = p_system.trajectory.frames[ 0 ]; modelFrame.resize( p_chemfileStruct.getAtomCount() ); for ( size_t residueIdx = 0; residueIdx < p_chemfileStruct.getResidueCount(); ++residueIdx ) @@ -58,29 +60,30 @@ namespace VTX::IO::Reader const VTX::Core::ChemDB::Category::TYPE categoryEnum = _findCategoryType( fileExtension, residueName ); // Check if chain name changed. - const bool createNewChain = p_molecule.getChainCount() == 0 || // No chain created - chainName != lastChainName || // New chain ID - categoryEnum != lastCategoryEnum; // New category + const bool createNewChain = p_system.getChainCount() == 0 || // No chain created + not seenChainNames.contains( chainName ) || // unseen chain ID + categoryEnum != lastCategoryEnum; // New category if ( createNewChain ) { if ( currentChainIndex != INVALID_INDEX ) { - p_molecule.chainResidueCounts[ currentChainIndex ] = currentChainResidueCount; + p_system.chainResidueCounts[ currentChainIndex ] = currentChainResidueCount; } // Create chain. - p_molecule.appendNewChain(); + p_system.appendNewChain(); currentChainIndex++; - p_molecule.chainNames[ currentChainIndex ] = chainName; - p_molecule.chainFirstResidues[ currentChainIndex ] = residueIdx; + p_system.chainNames[ currentChainIndex ] = chainName; + p_system.chainFirstResidues[ currentChainIndex ] = residueIdx; currentChainResidueCount = 0; - p_molecule.getCategory( categoryEnum ).referenceChain( currentChainIndex ); + p_system.getCategory( categoryEnum ).referenceChain( currentChainIndex ); - lastChainName = chainName; + if ( not seenChainNames.contains( chainName ) ) + seenChainNames.emplace( chainName ); lastCategoryEnum = categoryEnum; } @@ -93,23 +96,23 @@ namespace VTX::IO::Reader VTX_WARNING( "Empty residue found" ); } - p_molecule.residueChainIndexes[ residueIdx ] = currentChainIndex; - p_molecule.residueFirstAtomIndexes[ residueIdx ] = p_chemfileStruct.getCurrentResidueFirstAtomIndex(); - p_molecule.residueAtomCounts[ residueIdx ] = atomCount; - p_molecule.residueOriginalIds[ residueIdx ] = residueId; + p_system.residueChainIndexes[ residueIdx ] = currentChainIndex; + p_system.residueFirstAtomIndexes[ residueIdx ] = p_chemfileStruct.getCurrentResidueFirstAtomIndex(); + p_system.residueAtomCounts[ residueIdx ] = atomCount; + p_system.residueOriginalIds[ residueIdx ] = residueId; const ChemDB::Residue::SYMBOL residueSymbol = VTX::Core::ChemDB::Residue::getSymbolFromName( residueName ); - p_molecule.residueSymbols[ residueIdx ] = residueSymbol; + p_system.residueSymbols[ residueIdx ] = residueSymbol; if ( residueSymbol == ChemDB::Residue::SYMBOL::UNKNOWN ) { - p_molecule.residueUnknownNames[ residueIdx ] = residueName; + p_system.residueUnknownNames[ residueIdx ] = residueName; } const std::string secondaryStructure = p_chemfileStruct.getCurrentResidueStringProperty( "secondary_structure" ); if ( secondaryStructure != "" ) { - p_molecule.residueSecondaryStructureTypes[ residueIdx ] + p_system.residueSecondaryStructureTypes[ residueIdx ] = ChemDB::SecondaryStructure::pdbFormattedToEnum( secondaryStructure ); } @@ -128,16 +131,16 @@ namespace VTX::IO::Reader const atom_index_t atomIndex = *it; p_chemfileStruct.setCurrentAtom( atomIndex ); - p_molecule.atomResidueIndexes[ atomIndex ] = residueIdx; - p_molecule.atomNames[ atomIndex ] = p_chemfileStruct.getCurrentAtomName(); - p_molecule.atomSymbols[ atomIndex ] = p_chemfileStruct.getCurrentAtomSymbol(); + p_system.atomResidueIndexes[ atomIndex ] = residueIdx; + p_system.atomNames[ atomIndex ] = p_chemfileStruct.getCurrentAtomName(); + p_system.atomSymbols[ atomIndex ] = p_chemfileStruct.getCurrentAtomSymbol(); const ChemDB::Atom::TYPE atomType = _getTypeInConfiguration( p_chemfileStruct ); switch ( atomType ) { case ChemDB::Atom::TYPE::NORMAL: break; - case ChemDB::Atom::TYPE::ION: p_molecule.atomSolvents.addValue( atomIndex ); break; - case ChemDB::Atom::TYPE::SOLVENT: p_molecule.atomIons.addValue( atomIndex ); break; + case ChemDB::Atom::TYPE::ION: p_system.atomSolvents.addValue( atomIndex ); break; + case ChemDB::Atom::TYPE::SOLVENT: p_system.atomIons.addValue( atomIndex ); break; default: break; } @@ -160,7 +163,7 @@ namespace VTX::IO::Reader if ( currentChainResidueCount != 0 ) { - p_molecule.chainResidueCounts[ currentChainIndex ] = currentChainResidueCount; + p_system.chainResidueCounts[ currentChainIndex ] = currentChainResidueCount; currentChainResidueCount = 0; } @@ -168,10 +171,10 @@ namespace VTX::IO::Reader { // TODO: launch the filling of trajectory frames in another thread // std::thread fillFrames( - // &MoleculeLoader::fillTrajectoryFrames, this, std::ref( trajectory ), std::ref( p_molecule ) ); + // &SystemLoader::fillTrajectoryFrames, this, std::ref( trajectory ), std::ref( p_system ) ); // fillFrames.detach(); - std::pair pairMoleculeFirstFrame = { &p_molecule, 1 }; - _readTrajectoryFrames( p_chemfileStruct, { pairMoleculeFirstFrame }, 1 ); + std::pair pairSystemFirstFrame = { &p_system, 1 }; + _readTrajectoryFrames( p_chemfileStruct, { pairSystemFirstFrame }, 1 ); } // Bonds. @@ -184,10 +187,10 @@ namespace VTX::IO::Reader p_chemfileStruct.setCurrentBond( boundIdx ); const size_t firstAtomIndex = p_chemfileStruct.getCurrentBondFirstAtomIndex(); - const size_t residueStart = p_molecule.atomResidueIndexes[ firstAtomIndex ]; + const size_t residueStart = p_system.atomResidueIndexes[ firstAtomIndex ]; const size_t secondAtomIndex = p_chemfileStruct.getCurrentBondSecondAtomIndex(); - const size_t residueEnd = p_molecule.atomResidueIndexes[ secondAtomIndex ]; + const size_t residueEnd = p_system.atomResidueIndexes[ secondAtomIndex ]; if ( residueStart == residueEnd ) { @@ -205,7 +208,7 @@ namespace VTX::IO::Reader } // Create models. - p_molecule.initBonds( counter ); + p_system.initBonds( counter ); const size_t counterOld = counter; counter = 0; @@ -214,27 +217,27 @@ namespace VTX::IO::Reader const std::vector & vectorBonds = mapResidueBonds[ residueIdx ]; const std::vector & vectorExtraBonds = mapResidueExtraBonds[ residueIdx ]; - p_molecule.residueFirstBondIndexes[ residueIdx ] = counter; - p_molecule.residueBondCounts[ residueIdx ] = vectorBonds.size() + vectorExtraBonds.size(); + p_system.residueFirstBondIndexes[ residueIdx ] = counter; + p_system.residueBondCounts[ residueIdx ] = vectorBonds.size() + vectorExtraBonds.size(); for ( size_t i = 0; i < vectorBonds.size(); ++i, ++counter ) { p_chemfileStruct.setCurrentBond( vectorBonds[ i ] ); - p_molecule.bondPairAtomIndexes[ counter * 2 ] = p_chemfileStruct.getCurrentBondFirstAtomIndex(); - p_molecule.bondPairAtomIndexes[ counter * 2 + 1 ] = p_chemfileStruct.getCurrentBondSecondAtomIndex(); + p_system.bondPairAtomIndexes[ counter * 2 ] = p_chemfileStruct.getCurrentBondFirstAtomIndex(); + p_system.bondPairAtomIndexes[ counter * 2 + 1 ] = p_chemfileStruct.getCurrentBondSecondAtomIndex(); - p_molecule.bondOrders[ counter ] = p_chemfileStruct.getCurrentBondOrder(); + p_system.bondOrders[ counter ] = p_chemfileStruct.getCurrentBondOrder(); } for ( size_t i = 0; i < vectorExtraBonds.size(); ++i, ++counter ) { p_chemfileStruct.setCurrentBond( vectorExtraBonds[ i ] ); - p_molecule.bondPairAtomIndexes[ counter * 2 ] = p_chemfileStruct.getCurrentBondFirstAtomIndex(); - p_molecule.bondPairAtomIndexes[ counter * 2 + 1 ] = p_chemfileStruct.getCurrentBondSecondAtomIndex(); + p_system.bondPairAtomIndexes[ counter * 2 ] = p_chemfileStruct.getCurrentBondFirstAtomIndex(); + p_system.bondPairAtomIndexes[ counter * 2 + 1 ] = p_chemfileStruct.getCurrentBondSecondAtomIndex(); - p_molecule.bondOrders[ counter ] = p_chemfileStruct.getCurrentBondOrder(); + p_system.bondOrders[ counter ] = p_chemfileStruct.getCurrentBondOrder(); } } @@ -242,12 +245,12 @@ namespace VTX::IO::Reader // if ( !VTX::App::Application::Setting::COMPUTE_BOND_ORDER_ON_CHEMFILE ) //{ // bondComputationChrono.start(); - // const bool allBondsRecomputed = Util::App::Molecule::recomputeBondOrdersFromFile( p_molecule ); + // const bool allBondsRecomputed = Util::App::System::recomputeBondOrdersFromFile( p_system ); // if ( !allBondsRecomputed ) // { // VTX_INFO( "recomputeBondOrders with algorithm." ); - // Util::App::Molecule::recomputeBondOrders( p_molecule ); + // Util::App::System::recomputeBondOrders( p_system ); // } // bondComputationChrono.stop(); // VTX_INFO( "recomputeBondOrders: " + bondComputationChrono.elapsedTimeStr() ); @@ -256,10 +259,10 @@ namespace VTX::IO::Reader assert( counter == counterOld ); } - void Molecule::_readTrajectoryFrames( - IO::Reader::Chemfiles & p_chemfileStruct, - const std::vector> & p_targets, - const size_t p_trajectoryFrameStart + void System::_readTrajectoryFrames( + IO::Reader::Chemfiles & p_chemfileStruct, + const std::vector> & p_targets, + const size_t p_trajectoryFrameStart ) { // Fill other frames. @@ -280,11 +283,11 @@ namespace VTX::IO::Reader if ( atomPositions.size() <= 0 ) continue; - for ( const std::pair & pairMoleculeStartFrame : p_targets ) + for ( const std::pair & pairSystemStartFrame : p_targets ) { - VTX::Core::Struct::Molecule & molecule = *pairMoleculeStartFrame.first; - const size_t frameIndex = pairMoleculeStartFrame.second + validFrameCount; - molecule.trajectory.fillFrame( frameIndex, atomPositions ); + VTX::Core::Struct::System & system = *pairSystemStartFrame.first; + const size_t frameIndex = pairSystemStartFrame.second + validFrameCount; + system.trajectory.fillFrame( frameIndex, atomPositions ); validFrameCount++; } @@ -292,21 +295,21 @@ namespace VTX::IO::Reader #ifdef _DEBUG if ( frameIdx > 1 && frameIdx % 100 == 0 ) { - VTX_DEBUG( - "Frames from {} to {} read in: {}s.", startingFrame, frameIdx, timeReadingFrames.intervalTime() - ); + // VTX_DEBUG( + // "Frames from {} to {} read in: {}s.", startingFrame, frameIdx, timeReadingFrames.intervalTime() + //); startingFrame = frameIdx; } #endif // DEBUG } timeReadingFrames.stop(); - VTX_INFO( "Frames read in: {}s", timeReadingFrames.elapsedTime() ); + // VTX_INFO( "Frames read in: {}s", timeReadingFrames.elapsedTime() ); // Erase supernumeraries frames - for ( const std::pair & pairMoleculeFirstFrame : p_targets ) + for ( const std::pair & pairSystemFirstFrame : p_targets ) { - VTX::Core::Struct::Molecule & molecule = *( pairMoleculeFirstFrame.first ); - VTX::Core::Struct::Trajectory & trajectory = molecule.trajectory; + VTX::Core::Struct::System & system = *( pairSystemFirstFrame.first ); + VTX::Core::Struct::Trajectory & trajectory = system.trajectory; if ( trajectory.frames.back().size() == 0 ) { do @@ -319,7 +322,7 @@ namespace VTX::IO::Reader } } - VTX::Core::ChemDB::Category::TYPE Molecule::_findCategoryType( + VTX::Core::ChemDB::Category::TYPE System::_findCategoryType( const std::string & p_fileExtension, const std::string & p_residueSymbol ) @@ -328,7 +331,7 @@ namespace VTX::IO::Reader if ( p_fileExtension == "pdb" || p_fileExtension == "mmcif" || p_fileExtension == "mmtf" ) { // TODO : Move that in Core::ChemDB - // auto res = Util::App::Old::Molecule::getResidueCategory( p_residueSymbol ); + // auto res = Util::App::Old::System::getResidueCategory( p_residueSymbol ); res = VTX::Core::ChemDB::Category::TYPE::POLYMER; } else @@ -339,7 +342,7 @@ namespace VTX::IO::Reader return res; } - ChemDB::Atom::TYPE Molecule::_getTypeInConfiguration( const IO::Reader::Chemfiles & p_chemfileStruct ) const + ChemDB::Atom::TYPE System::_getTypeInConfiguration( const IO::Reader::Chemfiles & p_chemfileStruct ) const { if ( _configuration == nullptr ) return ChemDB::Atom::TYPE::NORMAL; diff --git a/lib/io/src/io/util/bond_order_guessing.cpp b/lib/io/src/io/util/bond_order_guessing.cpp index 4c09765ba..0c63cba90 100644 --- a/lib/io/src/io/util/bond_order_guessing.cpp +++ b/lib/io/src/io/util/bond_order_guessing.cpp @@ -633,7 +633,7 @@ namespace VTX::IO::Util const std::vector & BondOrderGuessing::getResidueBonds( const std::string & p_residueSymbol ) { throw NotImplementedException(); - // return Util::App::Old::Molecule::getResidueBonds( p_residueSymbol ); + // return Util::App::Old::System::getResidueBonds( p_residueSymbol ); } } // namespace VTX::IO::Util diff --git a/lib/io/src/io/util/secondary_structure.cpp b/lib/io/src/io/util/secondary_structure.cpp index 51134aad1..2ed87fec2 100644 --- a/lib/io/src/io/util/secondary_structure.cpp +++ b/lib/io/src/io/util/secondary_structure.cpp @@ -5,18 +5,18 @@ namespace VTX::IO::Util::SecondaryStructure { - void computeStride( Core::Struct::Molecule & p_molecule ) + void computeStride( Core::Struct::System & p_system ) { using namespace VTX::Util; - const Core::Struct::Frame & positions = p_molecule.trajectory.getCurrentFrame(); + const Core::Struct::Frame & positions = p_system.trajectory.getCurrentFrame(); - std::vector & types = p_molecule.residueSecondaryStructureTypes; + std::vector & types = p_system.residueSecondaryStructureTypes; - for ( uint chainIdx = 0; chainIdx < p_molecule.getChainCount(); ++chainIdx ) + for ( uint chainIdx = 0; chainIdx < p_system.getChainCount(); ++chainIdx ) { /* - const Model::Chain * const chainPtr = p_molecule.getChain( chainIdx ); + const Model::Chain * const chainPtr = p_system.getChain( chainIdx ); if ( chainPtr == nullptr ) continue; @@ -25,7 +25,7 @@ namespace VTX::IO::Util::SecondaryStructure const Model::Chain & chain = *chainPtr; */ - const size_t residueCount = p_molecule.chainResidueCounts[ chainIdx ]; + const size_t residueCount = p_system.chainResidueCounts[ chainIdx ]; // Not enought atoms. if ( residueCount < 4 ) @@ -34,7 +34,7 @@ namespace VTX::IO::Util::SecondaryStructure continue; } - const size_t idxFirstResidue = p_molecule.chainFirstResidues[ chainIdx ]; + const size_t idxFirstResidue = p_system.chainFirstResidues[ chainIdx ]; std::vector phi = std::vector( residueCount ); std::vector psi = std::vector( residueCount ); // std::vector omega = std::vector( residueCount ); @@ -50,14 +50,14 @@ namespace VTX::IO::Util::SecondaryStructure types[ idxFirstResidue ] = Core::ChemDB::SecondaryStructure::TYPE::COIL; types[ idxFirstResidue + residueCount - 1 ] = Core::ChemDB::SecondaryStructure::TYPE::COIL; - auto findFirstAtomByName = [ &p_molecule ]( const size_t p_residueIdx, const std::string & p_name ) + auto findFirstAtomByName = [ &p_system ]( const size_t p_residueIdx, const std::string & p_name ) { - const atom_index_t atomCount = p_molecule.residueAtomCounts[ p_residueIdx ]; - const atom_index_t idxFirstAtom = p_molecule.residueFirstAtomIndexes[ p_residueIdx ]; + const atom_index_t atomCount = p_system.residueAtomCounts[ p_residueIdx ]; + const atom_index_t idxFirstAtom = p_system.residueFirstAtomIndexes[ p_residueIdx ]; for ( int i = idxFirstAtom; i < int( idxFirstAtom + atomCount ); ++i ) { - if ( p_molecule.atomNames[ i ] == p_name ) + if ( p_system.atomNames[ i ] == p_name ) { return i; } diff --git a/lib/io/src/io/writer/chemfiles.cpp b/lib/io/src/io/writer/chemfiles.cpp index 4024f43c4..c001d45e0 100644 --- a/lib/io/src/io/writer/chemfiles.cpp +++ b/lib/io/src/io/writer/chemfiles.cpp @@ -87,7 +87,7 @@ namespace VTX::IO::Writer namespace { - void figureFormat( const FilePath & dest, ChemfilesTrajectory::E_FILE_FORMATS & format ) + void figureFormat( const FilePath & dest, E_FILE_FORMATS & format ) { if ( not dest.has_extension() ) return; @@ -95,70 +95,70 @@ namespace VTX::IO::Writer VTX::Util::String::toUpper( extension ); if ( extension == ".MMCIF" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::mmcif; + format = E_FILE_FORMATS::mmcif; else if ( extension == ".PDB" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::pdb; + format = E_FILE_FORMATS::pdb; else if ( extension == ".MMTF" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::mmtf; + format = E_FILE_FORMATS::mmtf; else if ( extension == ".MOLDEN" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::molden; + format = E_FILE_FORMATS::molden; else if ( extension == ".CIF" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::cif; + format = E_FILE_FORMATS::cif; else if ( extension == ".GRO" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::gro; + format = E_FILE_FORMATS::gro; else if ( extension == ".MOL2" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::mol2; + format = E_FILE_FORMATS::mol2; else if ( extension == ".SDf" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::sdf; + format = E_FILE_FORMATS::sdf; else if ( extension == ".SMI" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::smi; + format = E_FILE_FORMATS::smi; else if ( extension == ".XYZ" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::xyz; + format = E_FILE_FORMATS::xyz; else if ( extension == ".CML" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::cml; + format = E_FILE_FORMATS::cml; else if ( extension == ".CSSR" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::cssr; + format = E_FILE_FORMATS::cssr; else if ( extension == ".NC" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::nc; + format = E_FILE_FORMATS::nc; else if ( extension == ".DCD" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::nc; + format = E_FILE_FORMATS::nc; else if ( extension == ".LAMMPSTRJ" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::lammpstrj; + format = E_FILE_FORMATS::lammpstrj; else if ( extension == ".ARC" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::arc; + format = E_FILE_FORMATS::arc; else if ( extension == ".TRR" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::trr; + format = E_FILE_FORMATS::trr; else if ( extension == ".XTC" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::xtc; + format = E_FILE_FORMATS::xtc; else if ( extension == ".TNG" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::tng; + format = E_FILE_FORMATS::tng; else if ( extension == ".TRJ" ) - format = ChemfilesTrajectory::E_FILE_FORMATS::trj; + format = E_FILE_FORMATS::trj; } - const char * string( const ChemfilesTrajectory::E_FILE_FORMATS & format ) noexcept + const char * string( const E_FILE_FORMATS & format ) noexcept { switch ( format ) { - case ChemfilesTrajectory::E_FILE_FORMATS::pdb: return "PDB"; - case ChemfilesTrajectory::E_FILE_FORMATS::mmcif: return "mmCIF"; - case ChemfilesTrajectory::E_FILE_FORMATS::mmtf: return "MMTF"; - case ChemfilesTrajectory::E_FILE_FORMATS::molden: return "Molden"; - case ChemfilesTrajectory::E_FILE_FORMATS::cif: return "CIF"; - case ChemfilesTrajectory::E_FILE_FORMATS::gro: return "GRO"; - case ChemfilesTrajectory::E_FILE_FORMATS::mol2: return "MOL2"; - case ChemfilesTrajectory::E_FILE_FORMATS::sdf: return "SDF"; - case ChemfilesTrajectory::E_FILE_FORMATS::smi: return "SMI"; - case ChemfilesTrajectory::E_FILE_FORMATS::xyz: return "XYZ"; - case ChemfilesTrajectory::E_FILE_FORMATS::cml: return "CML"; - case ChemfilesTrajectory::E_FILE_FORMATS::cssr: return "CSSR"; - case ChemfilesTrajectory::E_FILE_FORMATS::nc: return "Amber NetCDF"; - case ChemfilesTrajectory::E_FILE_FORMATS::dcd: return "DCD"; - case ChemfilesTrajectory::E_FILE_FORMATS::lammpstrj: return "LAMMPS"; - case ChemfilesTrajectory::E_FILE_FORMATS::arc: return "Tinker"; - case ChemfilesTrajectory::E_FILE_FORMATS::trr: return "TRR"; - case ChemfilesTrajectory::E_FILE_FORMATS::xtc: return "XTC"; - case ChemfilesTrajectory::E_FILE_FORMATS::tng: return "TNG"; - case ChemfilesTrajectory::E_FILE_FORMATS::trj: return "TRJ"; + case E_FILE_FORMATS::pdb: return "PDB"; + case E_FILE_FORMATS::mmcif: return "mmCIF"; + case E_FILE_FORMATS::mmtf: return "MMTF"; + case E_FILE_FORMATS::molden: return "Molden"; + case E_FILE_FORMATS::cif: return "CIF"; + case E_FILE_FORMATS::gro: return "GRO"; + case E_FILE_FORMATS::mol2: return "MOL2"; + case E_FILE_FORMATS::sdf: return "SDF"; + case E_FILE_FORMATS::smi: return "SMI"; + case E_FILE_FORMATS::xyz: return "XYZ"; + case E_FILE_FORMATS::cml: return "CML"; + case E_FILE_FORMATS::cssr: return "CSSR"; + case E_FILE_FORMATS::nc: return "Amber NetCDF"; + case E_FILE_FORMATS::dcd: return "DCD"; + case E_FILE_FORMATS::lammpstrj: return "LAMMPS"; + case E_FILE_FORMATS::arc: return "Tinker"; + case E_FILE_FORMATS::trr: return "TRR"; + case E_FILE_FORMATS::xtc: return "XTC"; + case E_FILE_FORMATS::tng: return "TNG"; + case E_FILE_FORMATS::trj: return "TRJ"; default: break; } return ""; @@ -208,7 +208,7 @@ namespace VTX::IO::Writer default: out = ::chemfiles ::Bond ::BondOrder ::UNKNOWN; break; } } - void writeFile( const FilePath & dest, const ChemfilesTrajectory::E_FILE_FORMATS & format, _System & system ) + void writeFile( const FilePath & dest, const E_FILE_FORMATS & format, _System & system ) { ::chemfiles::Trajectory cf_traj( dest.string(), 'w', string( format ) ); diff --git a/lib/io/src/io/writer/system.cpp b/lib/io/src/io/writer/system.cpp new file mode 100644 index 000000000..6abd51040 --- /dev/null +++ b/lib/io/src/io/writer/system.cpp @@ -0,0 +1,185 @@ +#include "io/writer/system.hpp" +#include "io/writer/chemfiles.hpp" +#include + +namespace VTX::IO::Writer +{ + namespace + { + inline bool isResidueOfChain( + const size_t & p_residueIdx, + const size_t & p_chainIdx, + const VTX::Core::Struct::System & p_mol + ) noexcept + { + if ( p_chainIdx < p_mol.getChainCount() - 1 ) + return p_residueIdx < p_mol.chainFirstResidues[ p_chainIdx ] + p_mol.chainResidueCounts[ p_chainIdx ]; + return p_residueIdx < p_mol.getResidueCount(); + } + inline bool isAtomOfResidue( + const size_t & p_atomIdx, + const size_t & p_residueIdx, + const VTX::Core::Struct::System & p_mol + ) + { + if ( p_residueIdx < p_mol.getResidueCount() - 1 ) + return p_atomIdx + < p_mol.residueFirstAtomIndexes[ p_residueIdx ] + p_mol.residueAtomCounts[ p_residueIdx ]; + return p_atomIdx < p_mol.getAtomCount(); + } + void convert( const VTX::Core::ChemDB::Bond::ORDER & in, E_BOND_ORDER & out ) noexcept + { + switch ( in ) + { + case VTX::Core::ChemDB::Bond::ORDER::UNKNOWN: out = E_BOND_ORDER::unknown; break; + case VTX::Core::ChemDB::Bond::ORDER::SINGLE: out = E_BOND_ORDER::single; break; + case VTX::Core::ChemDB::Bond::ORDER::DOUBLE: out = E_BOND_ORDER::doubl; break; + case VTX::Core::ChemDB::Bond::ORDER::TRIPLE: out = E_BOND_ORDER::triple; break; + case VTX::Core::ChemDB::Bond::ORDER::QUADRUPLE: out = E_BOND_ORDER::quadruple; break; + case VTX::Core::ChemDB::Bond::ORDER::QUINTUPLET: out = E_BOND_ORDER::quintuple; break; + case VTX::Core::ChemDB::Bond::ORDER::AROMATIC: out = E_BOND_ORDER::aromatic; break; + default: out = E_BOND_ORDER::unknown; + } + } + + inline void addAtom( + const VTX::Core::Struct::System & p_mol, + const size_t & p_atomIdx, + System & p_system, + Residue & p_residue + ) + { + Atom w_atom = p_system.newAtom( { p_atomIdx } ); + p_residue.add( w_atom ); + w_atom.setName( p_mol.atomNames[ p_atomIdx ] ); + auto & constSymbol + = VTX::Core::ChemDB::Atom ::SYMBOL_STR[ static_cast( p_mol.atomSymbols[ p_atomIdx ] ) ]; + w_atom.setSymbol( std::string( constSymbol.begin(), constSymbol.end() ) ); + } + inline void addResidue( + const VTX::Core::Struct::System & p_mol, + const size_t & p_residueIdx, + System & p_system, + Chain & p_chain, + AtomFilter & p_atomFilter + ) + { + Residue w_residue = p_system.newResidue(); + p_chain.add( w_residue ); + w_residue.setResId( static_cast( p_mol.residueOriginalIds[ p_residueIdx ] ) ); + auto & constSymbol + = VTX::Core::ChemDB::Residue::SYMBOL_STR[ static_cast( p_mol.residueSymbols[ p_residueIdx ] ) ]; + std::string residueSymbol + = p_mol.residueSymbols[ p_residueIdx ] == VTX::Core::ChemDB::Residue::SYMBOL::UNKNOWN + ? p_mol.residueUnknownNames[ p_residueIdx ] + : std::string( constSymbol.begin(), constSymbol.end() ); + w_residue.setSymbol( residueSymbol ); + w_residue.set( Property { .key = "secondary_structure", + .value = VTX::Core::ChemDB::SecondaryStructure::enumToPdbFormatted( + p_mol.residueSecondaryStructureTypes[ p_residueIdx ] + ) } ); + w_residue.set( Property { .key = "is_standard_pdb", + .value = VTX::Core::ChemDB::Residue::checkIfStandardFromName( residueSymbol ) } ); + for ( size_t atomIdx = p_mol.residueFirstAtomIndexes[ p_residueIdx ]; + isAtomOfResidue( atomIdx, p_residueIdx, p_mol ); + atomIdx++ ) + { + if ( p_atomFilter( p_mol, atomIdx ) ) + addAtom( p_mol, atomIdx, p_system, w_residue ); + } + } + inline void addChain( + const VTX::Core::Struct::System & p_mol, + const size_t & p_chainIdx, + System & p_system, + AtomFilter & p_atomFilter + ) + { + Chain w_chain = p_system.newChain(); + w_chain.setName( p_mol.chainNames[ p_chainIdx ] ); + + // When I wrote this, we didn't read the chainID from chemfiles and we don't store it anywhere. So we will + // put the name instead for now. + w_chain.setId( p_mol.chainNames[ p_chainIdx ] ); + + for ( size_t residueIdx = p_mol.chainFirstResidues[ p_chainIdx ]; + isResidueOfChain( residueIdx, p_chainIdx, p_mol ); + residueIdx++ ) + { + addResidue( p_mol, residueIdx, p_system, w_chain, p_atomFilter ); + } + } + inline void setBonds( + const VTX::Core::Struct::System & p_mol, + System & p_system, + AtomFilter & p_atomFilter + + ) + { + for ( size_t bondIdx = 0; bondIdx < p_mol.getBondCount(); bondIdx += 2 ) + { + size_t atomIdx1 = p_mol.bondPairAtomIndexes[ bondIdx ], + atomIdx2 = p_mol.bondPairAtomIndexes[ bondIdx + 1 ]; + if ( p_atomFilter( p_mol, atomIdx1 ) && p_atomFilter( p_mol, atomIdx2 ) ) + { + E_BOND_ORDER w_bondOrder = E_BOND_ORDER::unknown; + convert( p_mol.bondOrders[ bondIdx >> 1 ], w_bondOrder ); + p_system.bind( { atomIdx1 }, { atomIdx2 }, w_bondOrder ); + } + } + } + inline void fillFrames( const VTX::Core::Struct::System & p_mol, System & p_system ) + { + for ( size_t frameIdx = 0; frameIdx < p_mol.trajectory.getFrameCount(); frameIdx++ ) + { + Frame w_frame = p_system.newFrame(); + for ( size_t atomIdx = 0; atomIdx < p_mol.trajectory.frames[ frameIdx ].size(); atomIdx++ ) + { + Atom w_atom; + // if the atom doesn't exist for some reason, we skip to the next + if ( p_system.fetch( w_atom, { atomIdx } ) ) + { + const VTX::Vec3f & coords = p_mol.trajectory.frames[ frameIdx ][ atomIdx ]; + w_frame.set( w_atom, AtomCoordinates { .x = coords[ 0 ], .y = coords[ 1 ], .z = coords[ 2 ] } ); + } + } + } + } + + void writeTrajectoryFile( WriteArgs p_args ) + { + ChemfilesTrajectory writer; + System w_system = writer.system(); + + for ( size_t chainIdx = 0; chainIdx < p_args.system->getChainCount(); chainIdx++ ) + { + addChain( *p_args.system, chainIdx, w_system, p_args.atomFilter ); + } + + if ( p_args.stopToken.stop_requested() ) + return; + + setBonds( *p_args.system, w_system, p_args.atomFilter ); + + if ( p_args.stopToken.stop_requested() ) + return; + + fillFrames( *p_args.system, w_system ); + + // We fill the write destination at the very end so if we stopped due to the stoptoken, nothing get written + writer.setWriteDestination( std::move( p_args.destination ) ); + writer.setWriteFormat( std::move( p_args.format ) ); + } + } // namespace + + void writeFile( WriteArgs p_args ) + { + if ( p_args.stopToken.stop_requested() ) + return; + if ( p_args.writeType != E_WRITE_TYPE::trajectory ) + throw VTXException( "Other type of writings aren't implemented yet" ); + if ( p_args.system == nullptr ) + throw VTXException( "System was nullptr." ); + writeTrajectoryFile( std::move( p_args ) ); + } +} // namespace VTX::IO::Writer diff --git a/lib/io/test/include/test/process/shared.hpp b/lib/io/test/include/test/process/shared.hpp new file mode 100644 index 000000000..cccd549a1 --- /dev/null +++ b/lib/io/test/include/test/process/shared.hpp @@ -0,0 +1,58 @@ +#pragma once +#include +#include +#include +#include +#include + +namespace VTX::IO::test +{ + using namespace boost::interprocess; + + const char SHM_FILESTR_DEQUE_SEGNAME[] = "VTX__SHM_FILESTR_DEQUE"; + const char SHM_FILESTR_DEQUE_OBJNAME[] = "file_collection"; + const char SHM_FILESTR_MUTEX[] = "VTX__SHM_FILESTR_MUTEX"; + const char SHM_REREADRSLT_MAP_SEGNAME[] = "VTX__SHM_REREADRSLT_MAP"; + const char SHM_REREADRSLT_MAP_OBJNAME[] = "result_collection"; + const char SHM_REREADRSLT_MUTEX[] = "VTX__SHM_FILESTR_MUTEX"; + + typedef allocator CharAllocator; + typedef basic_string, CharAllocator> String; + typedef allocator StringAllocator; + + typedef deque StringDeque; + typedef allocator StringDequeAllocator; + + typedef allocator Uint64Allocator; + + enum class RereadResult : uint8_t + { + fully_working = 0, + frame_mismatch = 1 << 0, + chain_mismatch = 1 << 1, + residue_mismatch = 1 << 2, + atom_mismatch = 1 << 3, + crashed = 1 << 7 + }; + typedef allocator RereadResultAllocator; + typedef allocator, managed_shared_memory::segment_manager> + Uint64RereadResultPairAllocator; + + typedef map, Uint64RereadResultPairAllocator> RereadResultMap; + typedef allocator RereadResultMapAllocator; + + using _RereadResultInt = std::underlying_type::type; + RereadResult operator|( const RereadResult & l, const RereadResult & r ) noexcept + { + return static_cast( static_cast<_RereadResultInt>( l ) | static_cast<_RereadResultInt>( r ) ); + } + RereadResult operator&( const RereadResult & l, const RereadResult & r ) noexcept + { + return static_cast( static_cast<_RereadResultInt>( l ) & static_cast<_RereadResultInt>( r ) ); + } + RereadResult operator*( const bool & l, const RereadResult & r ) noexcept + { + return static_cast( l * static_cast<_RereadResultInt>( r ) ); + } + +} // namespace VTX::IO::test diff --git a/lib/io/test/new_process/new_process.cpp b/lib/io/test/new_process/new_process.cpp new file mode 100644 index 000000000..e15395f72 --- /dev/null +++ b/lib/io/test/new_process/new_process.cpp @@ -0,0 +1,195 @@ +#include "test/process/shared.hpp" +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +namespace fs = std::filesystem; + +namespace +{ + /** + * @brief Use libarchive to decompress the directory , take the first file and write it at destination. + * @param src + * @param dest + */ + void decompressFile( const VTX::FilePath & src, const VTX::FilePath & dest ) + { + std::vector cpp_buffer; + cpp_buffer.resize( fs::file_size( src ) ); + + struct archive * a; + struct archive_entry * entry; + int r; + + a = archive_read_new(); + archive_read_support_filter_gzip( a ); + archive_read_support_format_raw( a ); + + r = archive_read_open_file( a, src.string().c_str(), 10240 ); + if ( r != ARCHIVE_OK ) + throw VTX::VTXException( "Issue with archive <{}>. Opening error.", src.string() ); + if ( archive_read_next_header( a, &entry ) != ARCHIVE_OK ) + throw VTX::VTXException( "Issue with archive <{}>. Header readin error.", src.string() ); + + size_t redBytes = 0; + std::ofstream outStrm( dest ); + do + { + redBytes = archive_read_data( a, cpp_buffer.data(), cpp_buffer.size() ); + outStrm.write( cpp_buffer.data(), redBytes ); + } while ( redBytes != 0 ); + + r = archive_read_free( a ); + if ( r != ARCHIVE_OK ) + throw VTX::VTXException( "Issue with archive <{}>. Freeing error.", src.string() ); + } + /** + * @brief Try read, write, and re-read the input file and give back the results. May crash the entire process beyond + * repair. + * @param structureFile + * @param rslt + */ + void testFile( const VTX::FilePath & structureFile, VTX::IO::test::RereadResult & rslt ) + { + using namespace VTX; + using namespace VTX::IO; + using namespace VTX::IO::Writer; + using namespace VTX::IO::test; + + const std::string systemName = structureFile.stem().string(); + const std::string systemPathname = systemName + structureFile.extension().string(); + + VTX::Core::Struct::System system = VTX::Core::Struct::System(); + { + IO::Reader::System systemReader = IO::Reader::System(); + + systemReader.readFile( structureFile, system ); + } + uint64_t init_atomCount = system.getAtomCount(); + uint64_t init_chainCount = system.getChainCount(); + uint64_t init_frameCount = system.trajectory.getFrameCount(); + uint64_t init_bondCount = system.getBondCount(); + uint64_t init_resCount = system.getResidueCount(); + + fs::remove( structureFile ); + + writeFile( WriteArgs { + .destination = structureFile, + .format = E_FILE_FORMATS::none, + .system = &system, + } ); + + VTX::Core::Struct::System system_reread = VTX::Core::Struct::System(); + IO::Reader::System systemReader_reread = IO::Reader::System(); + + systemReader_reread.readFile( structureFile, system_reread ); + + bool numMismatch_atom = init_atomCount != system_reread.getAtomCount(); + bool numMismatch_chain = init_chainCount != system_reread.getChainCount(); + bool numMismatch_frame = init_frameCount != system_reread.trajectory.getFrameCount(); + bool numMismatch_bond = init_bondCount != system_reread.getBondCount(); + bool numMismatch_res = init_resCount != system_reread.getResidueCount(); + + rslt = ( numMismatch_atom * RereadResult::atom_mismatch ) | ( numMismatch_chain * RereadResult::chain_mismatch ) + | ( numMismatch_res * RereadResult::residue_mismatch ) + | ( numMismatch_frame * RereadResult::frame_mismatch ); + + // Bond are not reliably written in files so we won't check them. + // e.g. 2qwo has disulfide bond that is not retrieved when reloading the file + } + + /** + * @brief Mark the input structure as a crashing structure. If the process ends up processing the structure without + * crash, this entry will be used to fill results. + * @param str + * @param rslt + */ + void writeResultEntry( const std::string & str, const VTX::IO::test::RereadResult & rslt ) + { + using namespace boost::interprocess; + using namespace VTX::IO::test; + named_mutex mutex( open_or_create, SHM_REREADRSLT_MUTEX ); + scoped_lock lock( mutex ); + + boost::interprocess::managed_shared_memory sharedSegment( + boost::interprocess::open_only, VTX::IO::test::SHM_REREADRSLT_MAP_SEGNAME + ); + auto rsltMapPair = sharedSegment.find( SHM_REREADRSLT_MAP_OBJNAME ); + if ( rsltMapPair.first == nullptr ) + throw; + + size_t key = std::hash()( str ); + if ( not rsltMapPair.first->contains( key ) ) + rsltMapPair.first->emplace( key, rslt ); + else + rsltMapPair.first->at( key ) = rslt; + } + /** + * @brief Fill the input string with the content of the new structure file path acquired. + * @param out + */ + void acquireNewStructure( std::string & out ) + { + using namespace boost::interprocess; + using namespace VTX::IO::test; + + named_mutex mutex( open_or_create, SHM_FILESTR_MUTEX ); + scoped_lock lock( mutex ); + + boost::interprocess::managed_shared_memory sharedSegment( + boost::interprocess::open_only, VTX::IO::test::SHM_FILESTR_DEQUE_SEGNAME + ); + auto dequePair = sharedSegment.find( SHM_FILESTR_DEQUE_OBJNAME ); + if ( dequePair.first == nullptr ) + throw; + + if ( dequePair.first->empty() ) + return; + + out.assign( dequePair.first->front().begin(), dequePair.first->front().end() ); + dequePair.first->pop_front(); + } +} // namespace + +int main( int argc, char * argv[] ) +{ + if ( argc != 2 ) + return 0; + + const fs::path outDir = VTX::Util::Filesystem::getExecutableDir() / "out" / "pdb100"; + const fs::path tmpFile = outDir / ( std::string( "tmp_" ) + argv[ 1 ] + ".mmcif" ); + if ( not fs::exists( outDir ) ) + fs::create_directories( outDir ); + + std::string filePathStr; + VTX::IO::test::RereadResult result = VTX::IO::test::RereadResult::crashed; + acquireNewStructure( filePathStr ); + while ( not filePathStr.empty() ) + { + result = VTX::IO::test::RereadResult::crashed; + writeResultEntry( filePathStr, result ); + if ( fs::exists( tmpFile ) ) + fs::remove( tmpFile ); + + decompressFile( filePathStr, tmpFile ); + try + { + testFile( tmpFile, result ); + } + catch ( ... ) + { + } + writeResultEntry( filePathStr, result ); + + filePathStr.clear(); + acquireNewStructure( filePathStr ); + } + return 0; +} diff --git a/lib/io/test/new_process/pdb100.cpp b/lib/io/test/new_process/pdb100.cpp new file mode 100644 index 000000000..35f96780f --- /dev/null +++ b/lib/io/test/new_process/pdb100.cpp @@ -0,0 +1,379 @@ +#include "test/process/shared.hpp" +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +// We test it only in dev mode. +#ifdef PDB_DATABASE_DIR +namespace +{ + + struct shm_remove + { + shm_remove() + { + boost::interprocess::shared_memory_object::remove( VTX::IO::test::SHM_FILESTR_DEQUE_SEGNAME ); + boost::interprocess::named_mutex::remove( VTX::IO::test::SHM_FILESTR_MUTEX ); + boost::interprocess::shared_memory_object::remove( VTX::IO::test::SHM_REREADRSLT_MAP_SEGNAME ); + boost::interprocess::named_mutex::remove( VTX::IO::test::SHM_REREADRSLT_MUTEX ); + } + ~shm_remove() + { + boost::interprocess::shared_memory_object::remove( VTX::IO::test::SHM_FILESTR_DEQUE_SEGNAME ); + boost::interprocess::named_mutex::remove( VTX::IO::test::SHM_FILESTR_MUTEX ); + boost::interprocess::shared_memory_object::remove( VTX::IO::test::SHM_REREADRSLT_MAP_SEGNAME ); + boost::interprocess::named_mutex::remove( VTX::IO::test::SHM_REREADRSLT_MUTEX ); + } + } g_shared_mem_remover; + + namespace fs = std::filesystem; + using FileCollection = std::list; + using FilePtrCollection = std::list; + using ResultDict = std::unordered_map; + using TestResults = std::map; + struct DataBaseTestContext + { + fs::path dbDir; + FileCollection tested_structs; + TestResults testResults; + + uint32_t num_fullyworking = 0; + uint32_t num_residuesNumNotMatch = 0; + uint32_t num_atomNumNotMatch = 0; + uint32_t num_chainNumNotMatch = 0; + uint32_t num_frameNumNotMatch = 0; + uint32_t num_crashed = 0; + }; + /** + * @brief Recursive function. If file, add it to collection. If dir, call itself on it. The directory depth is + * supposed to be fixed at 2 so the stack size souldn't explose. + * @param contextData + * @param dir + */ + void walkDir( FileCollection & contextData, const std::filesystem::path & dir ) + { + for ( auto & it_fsItem : fs::directory_iterator( dir ) ) + { + if ( fs::is_directory( it_fsItem ) ) + walkDir( contextData, it_fsItem.path() ); + if ( fs::is_regular_file( it_fsItem ) ) + contextData.push_back( it_fsItem.path().string() ); + } + } + /** + * @brief Open each directory from the dbDir and list the files in the tested_structs collection + * @param contextData + */ + void enumerateFiles( DataBaseTestContext & contextData ) + { + walkDir( contextData.tested_structs, contextData.dbDir ); + } + void writeReportSummary( DataBaseTestContext & contextData ) + { + VTX::VTX_INFO( + "Fully working : {:0.02f}% ({}/{})", + static_cast( contextData.num_fullyworking ) / contextData.tested_structs.size() * 100., + contextData.num_fullyworking, + contextData.tested_structs.size() + ); + VTX::VTX_INFO( + "Atom mismatch : {:0.02f}% ({}/{})", + static_cast( contextData.num_atomNumNotMatch ) / contextData.tested_structs.size() * 100., + contextData.num_atomNumNotMatch, + contextData.tested_structs.size() + ); + VTX::VTX_INFO( + "Residue mismatch : {:0.02f}% ({}/{})", + static_cast( contextData.num_residuesNumNotMatch ) / contextData.tested_structs.size() * 100., + contextData.num_residuesNumNotMatch, + contextData.tested_structs.size() + ); + VTX::VTX_INFO( + "Chain mismatch : {:0.02f}% ({}/{})", + static_cast( contextData.num_chainNumNotMatch ) / contextData.tested_structs.size() * 100., + contextData.num_chainNumNotMatch, + contextData.tested_structs.size() + ); + VTX::VTX_INFO( + "Frame mismatch : {:0.02f}% ({}/{})", + static_cast( contextData.num_frameNumNotMatch ) / contextData.tested_structs.size() * 100., + contextData.num_frameNumNotMatch, + contextData.tested_structs.size() + ); + VTX::VTX_INFO( + "Crashes : {:0.02f}% ({}/{})", + static_cast( contextData.num_crashed ) / contextData.tested_structs.size() * 100., + contextData.num_crashed, + contextData.tested_structs.size() + ); + } + void writeResultFile( + const VTX::FilePath & dest, + TestResults & data, + const VTX::IO::test::RereadResult & result_type + ) + { + std::ofstream file { dest }; + + for ( auto & it_strRslt : data ) + { + if ( static_cast( it_strRslt.second & result_type ) + || ( result_type == VTX::IO::test::RereadResult::fully_working + && it_strRslt.second == VTX::IO::test::RereadResult::fully_working ) ) + file << fs::path( *it_strRslt.first ).stem().string() << "\t" << *it_strRslt.first << std::endl; + } + } + /** + * @brief Class responsible for starting an independant worker, and restarting it if it crashes. If the worker + * finish normally, it is not restarted and the finished method return true. + */ + class RestartableWorker // We expect workers to crash eventually, so we need to restart them sometimes + { + struct _Data + { + const char * exeStr = ""; + int num = 0; + bool finished = false; + int thr_retcode = 1; + std::string startStr = std::format( "{} {}", exeStr, num ); + std::jthread thr { [ & ]() + { + while ( this->thr_retcode != 0 ) + { + VTX::VTX_INFO( "Starting worker {}.", this->num, this->thr_retcode ); + this->thr_retcode = system( startStr.data() ); + VTX::VTX_INFO( + "Worker {} terminated with return code {}.", this->num, this->thr_retcode + ); + } + VTX::VTX_INFO( "Worker {} won't restart.", this->num ); + this->finished = true; + } }; + }; + std::unique_ptr<_Data> _data = nullptr; + + public: + RestartableWorker() = delete; + RestartableWorker( const char * startStr, int num ) : _data( std::make_unique<_Data>( startStr, num ) ) {} + bool finished() const { return _data->finished; } + }; + /** + * @brief Initilize shared deque and fill it with list of structure file path + * @param contextData + */ + void _constructAndFillDeque( DataBaseTestContext & contextData ) + { + using namespace VTX::IO::test; + + const size_t size_shm_deque + = contextData.tested_structs.size() + * ( contextData.tested_structs.begin()->size() + sizeof( String ) + 50 /* deque memory overhead ? */ ) + + 500; + + boost::interprocess::managed_shared_memory sharedSegment( + boost::interprocess::create_only, VTX::IO::test::SHM_FILESTR_DEQUE_SEGNAME, size_shm_deque + ); + StringDequeAllocator dequeAlloc( sharedSegment.get_segment_manager() ); + StringAllocator strAlloc( sharedSegment.get_segment_manager() ); + StringDeque * fileStrDeque = sharedSegment.construct( SHM_FILESTR_DEQUE_OBJNAME )( dequeAlloc ); + + for ( auto & it_filepathStr : contextData.tested_structs ) + { + fileStrDeque->emplace_back( strAlloc ); // segfault ? + fileStrDeque->back().assign( it_filepathStr.begin(), it_filepathStr.end() ); + } + } + /** + * @brief Initilize shared memory map + * @param contextData + */ + void _constructMap( DataBaseTestContext & contextData ) + { + using namespace VTX::IO::test; + const size_t size_shm_map + = contextData.tested_structs.size() * ( 50 + sizeof( RereadResult ) + sizeof( uint64_t ) ) + 500; + + boost::interprocess::managed_shared_memory sharedSegment( + boost::interprocess::create_only, VTX::IO::test::SHM_REREADRSLT_MAP_SEGNAME, size_shm_map + ); + RereadResultMapAllocator mapAlloc( sharedSegment.get_segment_manager() ); + RereadResultMap * rsltMap = sharedSegment.construct( SHM_REREADRSLT_MAP_OBJNAME )( mapAlloc ); + } + /** + * @brief Read the shared map to fill the process-local map for future reading + * @param contextData + */ + void _exploitMap( DataBaseTestContext & contextData ) + { + using namespace VTX::IO::test; + + boost::interprocess::managed_shared_memory sharedSegment( + boost::interprocess::open_only, VTX::IO::test::SHM_REREADRSLT_MAP_SEGNAME + ); + auto rsltMapPair = sharedSegment.find( SHM_REREADRSLT_MAP_OBJNAME ); + if ( rsltMapPair.first == nullptr ) + { + VTX::VTX_ERROR( "Map Not found ????" ); + return; + } + RereadResultMap * rsltMap = rsltMapPair.first; + + for ( auto & it_filepathStr : contextData.tested_structs ) + { + uint64_t key = std::hash()( it_filepathStr ); + if ( not rsltMap->contains( key ) ) + { + VTX::VTX_INFO( "Key not found for {}", it_filepathStr ); + continue; + } + RereadResult rslt = rsltMap->at( key ); + contextData.testResults.emplace( &it_filepathStr, rslt ); + if ( rslt == RereadResult::crashed ) + { + contextData.num_crashed++; + continue; + } + else if ( rslt == RereadResult::fully_working ) + { + contextData.num_fullyworking++; + continue; + } + + contextData.num_atomNumNotMatch += static_cast( rslt & RereadResult::atom_mismatch ); + contextData.num_chainNumNotMatch += static_cast( rslt & RereadResult::chain_mismatch ); + contextData.num_residuesNumNotMatch += static_cast( rslt & RereadResult::residue_mismatch ); + contextData.num_frameNumNotMatch += static_cast( rslt & RereadResult::frame_mismatch ); + } + } + /** + * @brief Read the shared memory segment to prompt what's left to do using the VTX logger + * @param contextData + */ + void promptJobStatus( DataBaseTestContext & contextData ) + { + using namespace boost::interprocess; + using namespace VTX::IO::test; + size_t mapSize = 0; + { + named_mutex mutex( open_or_create, SHM_REREADRSLT_MUTEX ); + scoped_lock lock( mutex ); + boost::interprocess::managed_shared_memory sharedSegment( + boost::interprocess::open_only, VTX::IO::test::SHM_REREADRSLT_MAP_SEGNAME + ); + auto rsltMapPair = sharedSegment.find( SHM_REREADRSLT_MAP_OBJNAME ); + if ( rsltMapPair.first == nullptr ) + throw; + mapSize = rsltMapPair.first->size(); + } + VTX::VTX_INFO( + "Job status : {:0.2f}% completion ({}/{})", + 100. * static_cast( mapSize ) / static_cast( contextData.tested_structs.size() ), + mapSize, + contextData.tested_structs.size() + ); + } + /** + * @brief Create process workers and wait for them to complete their task. + * @param contextData + */ + void testFiles( DataBaseTestContext & contextData ) + { + using namespace VTX::IO::test; + VTX::VTX_INFO( "Constructing Deque ..." ); + _constructAndFillDeque( contextData ); + + VTX::VTX_INFO( "Constructing Map ..." ); + _constructMap( contextData ); + + const int NUM_WORKER = NUM_PROCESSES; + const char * startStr = "vtx_io_new_process"; + std::vector workerPool; + workerPool.reserve( NUM_WORKER ); + VTX::VTX_INFO( "Creating {} workers ...", NUM_WORKER ); + int workerIdx = 0; + while ( workerIdx < NUM_WORKER ) + { + workerPool.emplace_back( startStr, workerIdx++ ); + } + + uint64_t waitCount = 1; + while ( not std::all_of( + workerPool.begin(), workerPool.end(), []( const RestartableWorker & w ) { return w.finished(); } + ) ) + { + std::this_thread::sleep_for( std::chrono::seconds( 1 ) ); + if ( waitCount % 30 == 0 ) + promptJobStatus( contextData ); + waitCount++; + } + } + /** + * @brief Will take care of the logging part when the object is destructed. Placing it on destructor allows for the + * logging to occur even if the program is closed (kill 15 won't work) + */ + class Logger + { + DataBaseTestContext * _d; + + public: + Logger( DataBaseTestContext & d ) : _d( &d ) {} + ~Logger() + { + _exploitMap( *_d ); + VTX::FilePath outDir { VTX::Util::Filesystem::getExecutableDir() / "out" / "pdbDb" }; + if ( not fs::exists( outDir ) ) + fs::create_directories( outDir ); + writeReportSummary( *_d ); + writeResultFile( + outDir / "fully_working.log", _d->testResults, VTX::IO::test::RereadResult::fully_working + ); + writeResultFile( outDir / "crashed.log", _d->testResults, VTX::IO::test::RereadResult::crashed ); + writeResultFile( + outDir / "residue_mismatch.log", _d->testResults, VTX::IO::test::RereadResult::residue_mismatch + ); + writeResultFile( + outDir / "atom_mismatch.log", _d->testResults, VTX::IO::test::RereadResult::atom_mismatch + ); + writeResultFile( + outDir / "chain_mismatch.log", _d->testResults, VTX::IO::test::RereadResult::chain_mismatch + ); + writeResultFile( + outDir / "frame_mismatch.log", _d->testResults, VTX::IO::test::RereadResult::frame_mismatch + ); + } + }; +} // namespace + +int main( int argc, char * argv[] ) +{ + VTX::FilePath dbDir( PDB_DATABASE_DIR ); + if ( not std::filesystem::exists( dbDir ) ) + { + VTX::VTX_INFO( "Directory <{}> not found. test on all pdb will fail gently.", dbDir.string() ); + return 0; + } + DataBaseTestContext contextData { .dbDir = dbDir }; + VTX::Util::Chrono chrono; + chrono.start(); + + VTX::VTX_INFO( "Enumerating data ..." ); + enumerateFiles( contextData ); + VTX::VTX_INFO( "{} files found.", contextData.tested_structs.size() ); + + Logger l( contextData ); + testFiles( contextData ); + + chrono.stop(); + VTX::VTX_INFO( "Job duration : {}", VTX::Util::String::durationToStr( chrono.elapsedTime() ) ); + return 0; +} +#endif // PDB_DATABASE_DIR diff --git a/lib/io/test/src/chemfiles.cpp b/lib/io/test/src/chemfiles.cpp index 6043e679a..43d49e058 100644 --- a/lib/io/test/src/chemfiles.cpp +++ b/lib/io/test/src/chemfiles.cpp @@ -1,14 +1,18 @@ #include #include -#include -#include +#include +#include +#include #include +#include #include +#include +#include namespace { using namespace VTX::IO::Writer; - void twoWaterMolecules1frame( ChemfilesTrajectory & trajWriter ) + void twoWaterSystems1frame( ChemfilesTrajectory & trajWriter ) { System system = trajWriter.system(); Frame frame = system.newFrame(); @@ -73,7 +77,7 @@ namespace system.bind( id_wat2_O, id_wat2_H1, E_BOND_ORDER::single ); system.bind( id_wat2_O, id_wat2_H2, E_BOND_ORDER::single ); } - void twoWaterMolecules2frame( ChemfilesTrajectory & trajWriter ) + void twoWaterSystems2frame( ChemfilesTrajectory & trajWriter ) { System system = trajWriter.system(); Frame frame1 = system.newFrame(); @@ -160,19 +164,19 @@ TEST_CASE( "VTX_IO - Test ChemfilesTrajectory writer, 1 frame", "[writer][chemfi { ChemfilesTrajectory trajWriter; trajWriter.setWriteDestination( waterPath ); - trajWriter.setWriteFormat( ChemfilesTrajectory::E_FILE_FORMATS::pdb ); - twoWaterMolecules1frame( trajWriter ); + trajWriter.setWriteFormat( E_FILE_FORMATS::pdb ); + twoWaterSystems1frame( trajWriter ); } - VTX::Core::Struct::Molecule molecule = VTX::Core::Struct::Molecule(); - VTX::IO::Reader::Molecule moleculeReader = VTX::IO::Reader::Molecule(); - moleculeReader.readFile( waterPath, molecule ); + VTX::Core::Struct::System system = VTX::Core::Struct::System(); + VTX::IO::Reader::System systemReader = VTX::IO::Reader::System(); + systemReader.readFile( waterPath, system ); - CHECK( molecule.getChainCount() == 1 ); - CHECK( molecule.getBondCount() == 4 ); - CHECK( molecule.getResidueCount() == 2 ); - CHECK( molecule.getAtomCount() == 6 ); - CHECK( molecule.trajectory.getFrameCount() == 1 ); + CHECK( system.getChainCount() == 1 ); + CHECK( system.getBondCount() == 4 ); + CHECK( system.getResidueCount() == 2 ); + CHECK( system.getAtomCount() == 6 ); + CHECK( system.trajectory.getFrameCount() == 1 ); } TEST_CASE( "VTX_IO - Test ChemfilesTrajectory writer, 2 frames", "[writer][chemfiles][trajectory][2 frames]" ) { @@ -187,17 +191,85 @@ TEST_CASE( "VTX_IO - Test ChemfilesTrajectory writer, 2 frames", "[writer][chemf { ChemfilesTrajectory trajWriter; trajWriter.setWriteDestination( waterPath ); - trajWriter.setWriteFormat( ChemfilesTrajectory::E_FILE_FORMATS::pdb ); - twoWaterMolecules2frame( trajWriter ); + trajWriter.setWriteFormat( E_FILE_FORMATS::pdb ); + twoWaterSystems2frame( trajWriter ); } - VTX::Core::Struct::Molecule molecule = VTX::Core::Struct::Molecule(); - VTX::IO::Reader::Molecule moleculeReader = VTX::IO::Reader::Molecule(); - moleculeReader.readFile( waterPath, molecule ); + VTX::Core::Struct::System system = VTX::Core::Struct::System(); + VTX::IO::Reader::System systemReader = VTX::IO::Reader::System(); + systemReader.readFile( waterPath, system ); - CHECK( molecule.getChainCount() == 1 ); - CHECK( molecule.getBondCount() == 4 ); - CHECK( molecule.getResidueCount() == 2 ); - CHECK( molecule.getAtomCount() == 6 ); - CHECK( molecule.trajectory.getFrameCount() == 2 ); + CHECK( system.getChainCount() == 1 ); + CHECK( system.getBondCount() == 4 ); + CHECK( system.getResidueCount() == 2 ); + CHECK( system.getAtomCount() == 6 ); + CHECK( system.trajectory.getFrameCount() == 2 ); +} + +namespace +{ + struct TestSystemArgs + { + const char * systemName; + const char * extension; + const char * writtenExtension; + }; + void testSystem( TestSystemArgs p_args ) + { + using namespace VTX; + using namespace VTX::IO; + using namespace VTX::IO::Writer; + + const std::string systemName = p_args.systemName; + const std::string systemPathname = systemName + p_args.extension; + const FilePath systemPath = Util::Filesystem::getExecutableDir() / "data" / systemPathname; + + VTX::Core::Struct::System system = VTX::Core::Struct::System(); + { + IO::Reader::System systemReader = IO::Reader::System(); + + systemReader.readFile( systemPath, system ); + } + size_t atomCount = system.getAtomCount(); + size_t chainCount = system.getChainCount(); + size_t frameCount = system.trajectory.getFrameCount(); + size_t bondCount = system.getBondCount(); + size_t resCount = system.getResidueCount(); + + const VTX::FilePath outPath = VTX::Util::Filesystem::getExecutableDir() / "out" / "ChemfilesTrajectory"; + if ( not std::filesystem::exists( outPath ) ) + std::filesystem::create_directories( outPath ); + + const VTX::FilePath destination = outPath / ( systemName + p_args.writtenExtension ); + + writeFile( WriteArgs { + .destination = destination, + .format = E_FILE_FORMATS::none, + .system = &system, + } ); + + VTX::Core::Struct::System system_reread = VTX::Core::Struct::System(); + IO::Reader::System systemReader_reread = IO::Reader::System(); + + systemReader_reread.readFile( destination, system_reread ); + + CHECK( system_reread.getChainCount() == chainCount ); + CHECK( system_reread.getResidueCount() == resCount ); + CHECK( system_reread.getAtomCount() == atomCount ); + + // Bond are not reliably written in files so we won't check them. + // e.g. 2qwo has disulfide bond that is not retrieved when reloading the file + // CHECK( system_reread.getBondCount() == p_args.bondCount ); + } +} // namespace + +TEST_CASE( "VTX_IO - Test writeFile", "[writer][chemfiles][trajectory][specific_file]" ) +{ + return; + VTX::VTX_INFO( "Test reading and writing on {}.", "1idx" ); + VTX::VTX_INFO( "This one has reported atom mismatch" ); + testSystem( TestSystemArgs { .systemName = "1idx", .extension = ".cif", .writtenExtension = ".mmcif" } ); + VTX::VTX_INFO( "Test reading and writing on {}.", "202d" ); + VTX::VTX_INFO( "This one has reported residue mismatch" ); + testSystem( TestSystemArgs { .systemName = "202d", .extension = ".cif", .writtenExtension = ".mmcif" } ); } diff --git a/lib/io/test/src/main.cpp b/lib/io/test/src/main.cpp index d1acf6e32..79981b984 100644 --- a/lib/io/test/src/main.cpp +++ b/lib/io/test/src/main.cpp @@ -1,7 +1,7 @@ #include #include -#include -#include +#include +#include #include #include #include @@ -12,21 +12,21 @@ TEST_CASE( "VTX_IO - Test filepath", "[integration]" ) using namespace VTX; using namespace VTX::IO; - const std::string moleculeName = "8OIT"; - const std::string moleculePathname = moleculeName + ".mmtf"; - const FilePath moleculePath = Util::Filesystem::getExecutableDir() / "data" / moleculePathname; + const std::string systemName = "8OIT"; + const std::string systemPathname = systemName + ".mmtf"; + const FilePath systemPath = Util::Filesystem::getExecutableDir() / "data" / systemPathname; - VTX_INFO( "Test on {}", moleculeName ); + VTX_INFO( "Test on {}", systemName ); - VTX::Core::Struct::Molecule molecule = VTX::Core::Struct::Molecule(); - IO::Reader::Molecule moleculeReader = IO::Reader::Molecule(); + VTX::Core::Struct::System system = VTX::Core::Struct::System(); + IO::Reader::System systemReader = IO::Reader::System(); - moleculeReader.readFile( moleculePath, molecule ); + systemReader.readFile( systemPath, system ); - CHECK( molecule.getChainCount() == 79 ); - CHECK( molecule.getResidueCount() == 11381 ); - CHECK( molecule.getAtomCount() == 113095 ); - CHECK( molecule.getBondCount() == 129957 ); + CHECK( system.getChainCount() == 62 ); + CHECK( system.getResidueCount() == 11381 ); + CHECK( system.getAtomCount() == 113095 ); + CHECK( system.getBondCount() == 129957 ); } TEST_CASE( "VTX_IO - Test buffer", "[integration]" ) @@ -43,15 +43,15 @@ TEST_CASE( "VTX_IO - Test buffer", "[integration]" ) VTX_INFO( "Test on {}", url ); - VTX::Core::Struct::Molecule molecule = VTX::Core::Struct::Molecule(); - IO::Reader::Molecule moleculeReader = IO::Reader::Molecule(); + VTX::Core::Struct::System system = VTX::Core::Struct::System(); + IO::Reader::System systemReader = IO::Reader::System(); - moleculeReader.readBuffer( data, "8OIT.mmtf", molecule ); + systemReader.readBuffer( data, "4hhb.mmtf", system ); - CHECK( molecule.getChainCount() == 14 ); - CHECK( molecule.getResidueCount() == 801 ); - CHECK( molecule.getAtomCount() == 4779 ); - CHECK( molecule.getBondCount() == 129960 ); + CHECK( system.getChainCount() == 14 ); + CHECK( system.getResidueCount() == 801 ); + CHECK( system.getAtomCount() == 4779 ); + CHECK( system.getBondCount() == 129960 ); } TEST_CASE( "VTX_IO - Benchmark", "[.] [integration]" ) @@ -59,17 +59,17 @@ TEST_CASE( "VTX_IO - Benchmark", "[.] [integration]" ) using namespace VTX; using namespace VTX::IO; - const std::string moleculeName = "8OIT"; - const std::string moleculePathname = moleculeName + ".mmtf"; - const FilePath moleculePath = Util::Filesystem::getExecutableDir() / "data" / moleculePathname; + const std::string systemName = "8OIT"; + const std::string systemPathname = systemName + ".mmtf"; + const FilePath systemPath = Util::Filesystem::getExecutableDir() / "data" / systemPathname; - VTX_INFO( "Benchmark on {}.", moleculeName ); + VTX_INFO( "Benchmark on {}.", systemName ); - BENCHMARK( "Open molecules" ) + BENCHMARK( "Open systems" ) { - VTX::Core::Struct::Molecule molecule = VTX::Core::Struct::Molecule(); - IO::Reader::Molecule moleculeReader = IO::Reader::Molecule(); + VTX::Core::Struct::System system = VTX::Core::Struct::System(); + IO::Reader::System systemReader = IO::Reader::System(); - moleculeReader.readFile( moleculePath, molecule ); + systemReader.readFile( systemPath, system ); }; } diff --git a/lib/python_binding/include/python_binding/api/selection/molecule_interpretor.hpp b/lib/python_binding/include/python_binding/api/selection/system_interpretor.hpp similarity index 100% rename from lib/python_binding/include/python_binding/api/selection/molecule_interpretor.hpp rename to lib/python_binding/include/python_binding/api/selection/system_interpretor.hpp diff --git a/lib/python_binding/src/python_binding/api/selection/molecule_interpretor.cpp b/lib/python_binding/src/python_binding/api/selection/system_interpretor.cpp similarity index 100% rename from lib/python_binding/src/python_binding/api/selection/molecule_interpretor.cpp rename to lib/python_binding/src/python_binding/api/selection/system_interpretor.cpp diff --git a/lib/renderer/include/renderer/facade.hpp b/lib/renderer/include/renderer/facade.hpp index f4de917c4..f3cebaf2a 100644 --- a/lib/renderer/include/renderer/facade.hpp +++ b/lib/renderer/include/renderer/facade.hpp @@ -12,7 +12,7 @@ namespace VTX::Renderer { struct Camera; struct ColorLayout; - struct Molecule; + struct System; struct RenderSettings; struct Representation; struct Voxels; @@ -31,10 +31,10 @@ namespace VTX::Renderer void build( const uint p_output = 0, void * p_loader = nullptr ); void render( const float p_deltaTime, const float p_elapsedTime ); void setOutput( const uint p_output ); - void addProxyMolecule( Proxy::Molecule & p_proxy ); - void removeProxyMolecule( Proxy::Molecule & p_proxy ); - void addProxyMolecules( std::vector & p_proxies ); - void removeProxyMolecules( std::vector & p_proxies ); + void addProxySystem( Proxy::System & p_proxy ); + void removeProxySystem( Proxy::System & p_proxy ); + void addProxySystems( std::vector & p_proxies ); + void removeProxySystems( std::vector & p_proxies ); void addProxyRepresentation( Proxy::Representation & p_proxy ); void removeProxyRepresentation( Proxy::Representation & p_proxy ); void addProxyRepresentations( std::vector & p_proxies ); diff --git a/lib/renderer/include/renderer/proxy/molecule.hpp b/lib/renderer/include/renderer/proxy/system.hpp similarity index 91% rename from lib/renderer/include/renderer/proxy/molecule.hpp rename to lib/renderer/include/renderer/proxy/system.hpp index fd164fede..2a4a9c9de 100644 --- a/lib/renderer/include/renderer/proxy/molecule.hpp +++ b/lib/renderer/include/renderer/proxy/system.hpp @@ -1,5 +1,5 @@ -#ifndef __VTX_RENDERER_PROXY_MOLECULE__ -#define __VTX_RENDERER_PROXY_MOLECULE__ +#ifndef __VTX_RENDERER_PROXY_SYSTEM__ +#define __VTX_RENDERER_PROXY_SYSTEM__ #include #include @@ -9,9 +9,9 @@ namespace VTX::Renderer::Proxy { /** - * @brief Molecule data provider. + * @brief System data provider. */ - struct Molecule + struct System { const Mat4f * transform; const std::vector * atomPositions; @@ -34,9 +34,9 @@ namespace VTX::Renderer::Proxy const uint idDefaultRepresentation = 0; Util::Callback<> onTransform; // Move/rotate. - Util::Callback onVisible; // Show/hide the whole molecule. - Util::Callback onSelect; // Select/deselect the whole molecule. - Util::Callback onRepresentation; // Change the representation of the whole molecule. + Util::Callback onVisible; // Show/hide the whole system. + Util::Callback onSelect; // Select/deselect the whole system. + Util::Callback onRepresentation; // Change the representation of the whole system. Util::Callback<> onRemove; // Remove proxy. Util::Callback<> onAtomPositions; // Update dynamics. Util::Callback &> onAtomColors; // Update colors (ATOM/CHAIN/RESIDUE)... diff --git a/lib/renderer/include/renderer/renderer.hpp b/lib/renderer/include/renderer/renderer.hpp index 32db529e6..b4165dbb5 100644 --- a/lib/renderer/include/renderer/renderer.hpp +++ b/lib/renderer/include/renderer/renderer.hpp @@ -7,9 +7,9 @@ #include "proxy/camera.hpp" #include "proxy/color_layout.hpp" #include "proxy/mesh.hpp" -#include "proxy/molecule.hpp" #include "proxy/render_settings.hpp" #include "proxy/representation.hpp" +#include "proxy/system.hpp" #include "proxy/voxels.hpp" #include "render_graph.hpp" #include "scheduler/depth_first_search.hpp" @@ -116,10 +116,10 @@ namespace VTX::Renderer } } - void addProxyMolecule( Proxy::Molecule & p_proxy ); - void removeProxyMolecule( Proxy::Molecule & p_proxy ); - void addProxyMolecules( std::vector & p_proxies ); - void removeProxyMolecules( std::vector & p_proxies ); + void addProxySystem( Proxy::System & p_proxy ); + void removeProxySystem( Proxy::System & p_proxy ); + void addProxySystems( std::vector & p_proxies ); + void removeProxySystems( std::vector & p_proxies ); void addProxyRepresentation( Proxy::Representation & p_proxy ); void removeProxyRepresentation( Proxy::Representation & p_proxy ); @@ -235,35 +235,35 @@ namespace VTX::Renderer InstructionsDurationRanges _instructionsDurationRanges; // Proxies. - std::vector _proxiesMolecules; + std::vector _proxiesSystems; std::vector _proxyRepresentations; Proxy::Camera * _proxyCamera; Proxy::ColorLayout * _proxyColorLayout; Proxy::RenderSettings * _proxyRenderSettings; Proxy::Voxels * _proxyVoxels; - void _addProxyMolecule( Proxy::Molecule & p_proxy ); - void _removeProxyMolecule( Proxy::Molecule & p_proxy ); + void _addProxySystem( Proxy::System & p_proxy ); + void _removeProxySystem( Proxy::System & p_proxy ); // TODO: check complexity. - inline size_t _getProxyId( const Proxy::Molecule * const p_proxy ) const + inline size_t _getProxyId( const Proxy::System * const p_proxy ) const { size_t id = std::distance( - _proxiesMolecules.begin(), std::find( _proxiesMolecules.begin(), _proxiesMolecules.end(), p_proxy ) + _proxiesSystems.begin(), std::find( _proxiesSystems.begin(), _proxiesSystems.end(), p_proxy ) ); - assert( id < _proxiesMolecules.size() ); + assert( id < _proxiesSystems.size() ); return id; } // Cache. - std::map _cacheSpheresCylinders; - std::map _cacheRibbons; - std::map _cacheSES; + std::map _cacheSpheresCylinders; + std::map _cacheRibbons; + std::map _cacheSES; // TODO: make "filler" functions for each type of data instead of _setDataX? - inline void _refreshDataMolecules() + inline void _refreshDataSystems() { _refreshDataSpheresCylinders(); _refreshDataRibbons(); diff --git a/lib/renderer/src/renderer/facade.cpp b/lib/renderer/src/renderer/facade.cpp index 5a436d984..7f407fc15 100644 --- a/lib/renderer/src/renderer/facade.cpp +++ b/lib/renderer/src/renderer/facade.cpp @@ -24,15 +24,15 @@ namespace VTX::Renderer void Facade::setOutput( const uint p_output ) { _renderer->setOutput( p_output ); } - void Facade::addProxyMolecule( Proxy::Molecule & p_proxy ) { _renderer->addProxyMolecule( p_proxy ); } - void Facade::removeProxyMolecule( Proxy::Molecule & p_proxy ) { _renderer->removeProxyMolecule( p_proxy ); } - void Facade::addProxyMolecules( std::vector & p_proxies ) + void Facade::addProxySystem( Proxy::System & p_proxy ) { _renderer->addProxySystem( p_proxy ); } + void Facade::removeProxySystem( Proxy::System & p_proxy ) { _renderer->removeProxySystem( p_proxy ); } + void Facade::addProxySystems( std::vector & p_proxies ) { - _renderer->addProxyMolecules( p_proxies ); + _renderer->addProxySystems( p_proxies ); } - void Facade::removeProxyMolecules( std::vector & p_proxies ) + void Facade::removeProxySystems( std::vector & p_proxies ) { - _renderer->removeProxyMolecules( p_proxies ); + _renderer->removeProxySystems( p_proxies ); } void Facade::addProxyRepresentation( Proxy::Representation & p_proxy ) diff --git a/lib/renderer/src/renderer/renderer.cpp b/lib/renderer/src/renderer/renderer.cpp index 03445e6f3..6915aac60 100644 --- a/lib/renderer/src/renderer/renderer.cpp +++ b/lib/renderer/src/renderer/renderer.cpp @@ -130,7 +130,7 @@ namespace VTX::Renderer _needUpdate = false; _framesRemaining = 0; - _proxiesMolecules.clear(); + _proxiesSystems.clear(); _proxyCamera = nullptr; _proxyColorLayout = nullptr; _proxyRepresentations.clear(); @@ -148,50 +148,50 @@ namespace VTX::Renderer drawRangeRibbons.offsets.clear(); } -#pragma region Proxy molecules +#pragma region Proxy systems - void Renderer::addProxyMolecule( Proxy::Molecule & p_proxy ) + void Renderer::addProxySystem( Proxy::System & p_proxy ) { - _addProxyMolecule( p_proxy ); - _refreshDataMolecules(); + _addProxySystem( p_proxy ); + _refreshDataSystems(); } - void Renderer::removeProxyMolecule( Proxy::Molecule & p_proxy ) + void Renderer::removeProxySystem( Proxy::System & p_proxy ) { - _removeProxyMolecule( p_proxy ); - _refreshDataMolecules(); + _removeProxySystem( p_proxy ); + _refreshDataSystems(); } - void Renderer::addProxyMolecules( std::vector & p_proxies ) + void Renderer::addProxySystems( std::vector & p_proxies ) { - for ( Proxy::Molecule * proxy : p_proxies ) + for ( Proxy::System * proxy : p_proxies ) { - _addProxyMolecule( *proxy ); + _addProxySystem( *proxy ); } - _refreshDataMolecules(); + _refreshDataSystems(); } - void Renderer::removeProxyMolecules( std::vector & p_proxies ) + void Renderer::removeProxySystems( std::vector & p_proxies ) { - for ( Proxy::Molecule * proxy : p_proxies ) + for ( Proxy::System * proxy : p_proxies ) { - _removeProxyMolecule( *proxy ); + _removeProxySystem( *proxy ); } - _refreshDataMolecules(); + _refreshDataSystems(); } - void Renderer::_addProxyMolecule( Proxy::Molecule & p_proxy ) + void Renderer::_addProxySystem( Proxy::System & p_proxy ) { assert( hasContext() ); assert( p_proxy.idDefaultRepresentation < _proxyRepresentations.size() ); // If size max reached, do not add. - if ( _proxiesMolecules.size() >= UNSIGNED_SHORT_MAX ) + if ( _proxiesSystems.size() >= UNSIGNED_SHORT_MAX ) { - throw GLException( "Max molecule count reached" ); + throw GLException( "Max system count reached" ); } - _proxiesMolecules.push_back( &p_proxy ); + _proxiesSystems.push_back( &p_proxy ); _cacheSpheresCylinders.emplace( &p_proxy, Cache::SphereCylinder() ); _cacheRibbons.emplace( &p_proxy, Cache::Ribbon() ); @@ -263,7 +263,7 @@ namespace VTX::Renderer _context->setSubData( cacheR.representations, "RibbonsRepresentations", cacheR.range.getFirst() ); }; - p_proxy.onRemove += [ this, &p_proxy ]() { removeProxyMolecule( p_proxy ); }; + p_proxy.onRemove += [ this, &p_proxy ]() { removeProxySystem( p_proxy ); }; p_proxy.onAtomPositions += [ this, &p_proxy ]() { @@ -316,14 +316,14 @@ namespace VTX::Renderer */ } - void Renderer::_removeProxyMolecule( Proxy::Molecule & p_proxy ) + void Renderer::_removeProxySystem( Proxy::System & p_proxy ) { - std::erase( _proxiesMolecules, &p_proxy ); + std::erase( _proxiesSystems, &p_proxy ); _cacheSpheresCylinders.erase( &p_proxy ); _cacheRibbons.erase( &p_proxy ); } -#pragma endregion Proxy molecules +#pragma endregion Proxy systems #pragma region Proxy representations @@ -530,7 +530,7 @@ namespace VTX::Renderer // Check data. size_t totalAtoms = 0; size_t totalBonds = 0; - for ( const Proxy::Molecule * const proxy : _proxiesMolecules ) + for ( const Proxy::System * const proxy : _proxiesSystems ) { // Check sizes. assert( proxy->atomPositions ); @@ -556,7 +556,7 @@ namespace VTX::Renderer size_t offsetAtoms = 0; size_t offsetBonds = 0; ushort modelId = 0; - for ( const Proxy::Molecule * const proxy : _proxiesMolecules ) + for ( const Proxy::System * const proxy : _proxiesSystems ) { Cache::SphereCylinder & cache = _cacheSpheresCylinders[ proxy ]; @@ -627,7 +627,7 @@ namespace VTX::Renderer size_t totalCaPositions = 0; size_t totalIndices = 0; - for ( const Proxy::Molecule * const proxy : _proxiesMolecules ) + for ( const Proxy::System * const proxy : _proxiesSystems ) { assert( proxy->atomNames ); assert( proxy->residueSecondaryStructureTypes ); @@ -759,7 +759,7 @@ namespace VTX::Renderer for ( uint chainIdx = 0; chainIdx < proxy->chainFirstResidues->size(); ++chainIdx ) { /* - const Chain * const chain = _molecule->getChain( chainIdx ); + const Chain * const chain = _system->getChain( chainIdx ); if ( chain == nullptr ) { continue; @@ -861,7 +861,7 @@ namespace VTX::Renderer colors.emplace_back( Generic::COLORS_JMOL[ uint( residue->getSecondaryStructure() ) ] ); break; case Generic::SECONDARY_STRUCTURE_COLOR_MODE::PROTEIN: - colors.emplace_back( residue->getMoleculePtr()->getColor() ); + colors.emplace_back( residue->getSystemPtr()->getColor() ); break; case Generic::SECONDARY_STRUCTURE_COLOR_MODE::CUSTOM: colors.emplace_back( residue->getRepresentation()->getColor() ); @@ -889,7 +889,7 @@ namespace VTX::Renderer /* visibilities.emplace_back( uint( - _molecule->isVisible() && chain->isVisible() && residue->isVisible() && CA->isVisible() + _system->isVisible() && chain->isVisible() && residue->isVisible() && CA->isVisible() && O->isVisible() ) ); */ @@ -927,7 +927,7 @@ namespace VTX::Renderer } size_t offsetIndices = 0; - if ( _proxiesMolecules.empty() || totalCaPositions == 0 ) + if ( _proxiesSystems.empty() || totalCaPositions == 0 ) { assert( totalIndices == 0 ); } @@ -944,7 +944,7 @@ namespace VTX::Renderer size_t offsetCaPositions = 0; uchar modelId = -1; - for ( const Proxy::Molecule * const proxy : _proxiesMolecules ) + for ( const Proxy::System * const proxy : _proxiesSystems ) { modelId++; Cache::Ribbon & cache = _cacheRibbons[ proxy ]; @@ -1047,7 +1047,7 @@ namespace VTX::Renderer const float PROBE_RADIUS = 1.4f; const float VOXEL_SIZE = 0.4f; - for ( const Proxy::Molecule * const proxy : _proxiesMolecules ) + for ( const Proxy::System * const proxy : _proxiesSystems ) { // TODO: asserts. @@ -1084,7 +1084,7 @@ namespace VTX::Renderer for ( const uint idx : data.atomList ) { /* - if ( _category->getMoleculePtr()->getAtom( idx ) == nullptr ) + if ( _category->getSystemPtr()->getAtom( idx ) == nullptr ) { continue; } @@ -1173,7 +1173,7 @@ namespace VTX::Renderer { std::vector<_StructUBOModel> models; - for ( const Proxy::Molecule * const proxy : _proxiesMolecules ) + for ( const Proxy::System * const proxy : _proxiesSystems ) { assert( proxy->transform ); assert( _proxyCamera ); diff --git a/lib/ui/qt/include/ui/qt/dock_widget/scene.hpp b/lib/ui/qt/include/ui/qt/dock_widget/scene.hpp index 9d78dc054..ff822d9a8 100644 --- a/lib/ui/qt/include/ui/qt/dock_widget/scene.hpp +++ b/lib/ui/qt/include/ui/qt/dock_widget/scene.hpp @@ -10,8 +10,8 @@ #include #include #include -#include #include +#include #include namespace VTX::UI::QT::DockWidget @@ -32,7 +32,7 @@ namespace VTX::UI::QT::DockWidget // Test structs. struct TestData { - std::string_view name = "Default molecule"; + std::string_view name = "Default system"; int persistentId = 0; const std::string_view getName() const { return name; } @@ -41,7 +41,7 @@ namespace VTX::UI::QT::DockWidget struct TestData2 { - std::string_view myName = "Default molecule adapted"; + std::string_view myName = "Default system adapted"; int myID = 0; const std::string_view getMyName() const { return myName; } @@ -186,18 +186,18 @@ namespace VTX::UI::QT::DockWidget { using namespace App; - if ( App::ECS_REGISTRY().hasComponent( p_item ) ) + if ( App::ECS_REGISTRY().hasComponent( p_item ) ) { - auto & molecule = App::ECS_REGISTRY().getComponent( p_item ); + auto & system = App::ECS_REGISTRY().getComponent( p_item ); // Add with concept. addTopLevelData( TreeItemData { p_item.getName(), WidgetData( p_item.getPersistentSceneID() ), - molecule.getChains().size() }, + system.getChains().size() }, LoadFunc( [ &p_item, - &molecule ]( const uint p_level, const WidgetData p_data ) -> std::vector + &system ]( const uint p_level, const WidgetData p_data ) -> std::vector { std::vector data; @@ -206,7 +206,7 @@ namespace VTX::UI::QT::DockWidget case 0: // Load chains. { WidgetData index = 0; - for ( auto & chain : molecule.getChains() ) + for ( auto & chain : system.getChains() ) { data.push_back( TreeItemData { chain->getName(), index++, chain->getResidueCount() } ); @@ -216,13 +216,13 @@ namespace VTX::UI::QT::DockWidget case 1: // Load residues. { - auto * chain = molecule.getChain( p_data ); + auto * chain = system.getChain( p_data ); assert( chain ); for ( size_t index = chain->getIndexFirstResidue(); index <= chain->getIndexLastResidue(); ++index ) { - auto * residue = molecule.getResidue( index ); + auto * residue = system.getResidue( index ); data.push_back( TreeItemData { residue->getName(), index, residue->getAtomCount() } ); } @@ -231,13 +231,13 @@ namespace VTX::UI::QT::DockWidget case 2: // Load atoms. { - auto * residue = molecule.getResidue( p_data ); + auto * residue = system.getResidue( p_data ); assert( residue ); for ( size_t index = residue->getIndexFirstAtom(); index <= residue->getIndexLastAtom(); ++index ) { - auto * atom = molecule.getAtom( atom_index_t( index ) ); + auto * atom = system.getAtom( atom_index_t( index ) ); data.push_back( TreeItemData { atom->getName(), index, 0 } ); } } diff --git a/lib/ui/qt/src/ui/qt/dialog/download.cpp b/lib/ui/qt/src/ui/qt/dialog/download.cpp index c66a96dfe..371ad022d 100644 --- a/lib/ui/qt/src/ui/qt/dialog/download.cpp +++ b/lib/ui/qt/src/ui/qt/dialog/download.cpp @@ -100,7 +100,7 @@ namespace VTX::UI::QT::Dialog FilePath path = App::Filesystem::getCachePath( _pdb.toStdString() + ".pdb" ); if ( std::filesystem::exists( path ) and _radioButtonOpen->isChecked() ) { - App::ACTION_SYSTEM().execute( path ); + App::ACTION_SYSTEM().execute( path ); } else { @@ -132,7 +132,7 @@ namespace VTX::UI::QT::Dialog urlReplaced = urlReplaced.replace( _PDB_ID_TEMPLATE, _pdb ); } - App::ACTION_SYSTEM().execute( + App::ACTION_SYSTEM().execute( urlReplaced.toStdString(), _pdb.toStdString() + ".pdb" ); } diff --git a/lib/ui/qt/src/ui/qt/dialog/open.cpp b/lib/ui/qt/src/ui/qt/dialog/open.cpp index e229cf921..4ccd238a5 100644 --- a/lib/ui/qt/src/ui/qt/dialog/open.cpp +++ b/lib/ui/qt/src/ui/qt/dialog/open.cpp @@ -27,7 +27,7 @@ namespace VTX::UI::QT::Dialog // Open files. for ( const auto & path : p_paths ) { - App::ACTION_SYSTEM().execute( path.toStdString() ); + App::ACTION_SYSTEM().execute( path.toStdString() ); } } ); diff --git a/lib/ui/qt/src/ui/qt/widget/main_window.cpp b/lib/ui/qt/src/ui/qt/widget/main_window.cpp index be456aa4c..1ef7acc54 100644 --- a/lib/ui/qt/src/ui/qt/widget/main_window.cpp +++ b/lib/ui/qt/src/ui/qt/widget/main_window.cpp @@ -193,7 +193,7 @@ namespace VTX::UI::QT::Widget { for ( const auto & url : p_event->mimeData()->urls() ) { - App::ACTION_SYSTEM().execute( url.toLocalFile().toStdString() ); + App::ACTION_SYSTEM().execute( url.toLocalFile().toStdString() ); } p_event->acceptProposedAction(); diff --git a/lib/util/include/util/thread.hpp b/lib/util/include/util/thread.hpp new file mode 100644 index 000000000..9797b6ec2 --- /dev/null +++ b/lib/util/include/util/thread.hpp @@ -0,0 +1,45 @@ +#ifndef __VTX_UTIL_THREAD__ +#define __VTX_UTIL_THREAD__ +#include + +namespace VTX::Util +{ + /** + * @brief Class responsible for querying wether a execution should stop or not. + */ + class StopToken + { + struct _model + { + virtual ~_model() = default; + virtual bool stop_requested() = 0; + }; + + template + struct _wrapper final : public _model + { + T obj; + _wrapper( T && p_ ) : obj( std::forward( p_ ) ) {} + + virtual bool stop_requested() override { return obj.stop_requested(); } + }; + + public: + StopToken() = default; + template + StopToken( T && p_ ) : _ptr( new _wrapper( std::forward( p_ ) ) ) + { + static_assert( + requires( T t ) { + { t.stop_requested() } -> std::convertible_to; + }, "You need to implement the \"bool stop_requested()\" method." + ); + } + + bool stop_requested() { return ( _ptr != nullptr ) && _ptr->stop_requested(); } + + private: + std::unique_ptr<_model> _ptr = nullptr; + }; +} // namespace VTX::Util +#endif diff --git a/tool/mdprep/include/tool/mdprep/backends/gromacs/solvate.hpp b/tool/mdprep/include/tool/mdprep/backends/gromacs/solvate.hpp index 430691301..d81c6d6d3 100644 --- a/tool/mdprep/include/tool/mdprep/backends/gromacs/solvate.hpp +++ b/tool/mdprep/include/tool/mdprep/backends/gromacs/solvate.hpp @@ -9,7 +9,7 @@ namespace VTX::Tool::Mdprep::backends::Gromacs struct GromacsJobData; struct CumulativeOuputFiles; - // Support solvation with the default spc216.gro water molecule + // Support solvation with the default spc216.gro water system struct SolvateInstructions { std::string fileStem; diff --git a/tool/mdprep/include/tool/mdprep/backends/gromacs/trjconv.hpp b/tool/mdprep/include/tool/mdprep/backends/gromacs/trjconv.hpp index e878d64e4..ed83bd54a 100644 --- a/tool/mdprep/include/tool/mdprep/backends/gromacs/trjconv.hpp +++ b/tool/mdprep/include/tool/mdprep/backends/gromacs/trjconv.hpp @@ -11,7 +11,7 @@ namespace VTX::Tool::Mdprep::backends::Gromacs struct GromacsJobData; struct CumulativeOuputFiles; - // Support solvation with the default spc216.gro water molecule + // Support solvation with the default spc216.gro water system struct TrjconvInstructions { std::string fileStem; diff --git a/tool/mdprep/src/ui/screen_forms.cpp b/tool/mdprep/src/ui/screen_forms.cpp index dc2f65dcd..6b88cd099 100644 --- a/tool/mdprep/src/ui/screen_forms.cpp +++ b/tool/mdprep/src/ui/screen_forms.cpp @@ -88,7 +88,7 @@ namespace VTX::Tool::Mdprep::ui "Pushing the %s button will use every visible object(s) of the system to " "prepare a Molecular Dynamics Simulation using selected parameters.
Be wary : VTX " "doesn't support " - "yet automatic MD preparation for small organic molecules. Hence, any visible " + "yet automatic MD preparation for small organic systems. Hence, any visible " "non-biological entity is likely cause preparation failure. Please mind the automatic check result.", buttonLabel ) ); diff --git a/tool/mdprep/src/ui/shared.cpp b/tool/mdprep/src/ui/shared.cpp index eeb80eae2..0962eeda4 100644 --- a/tool/mdprep/src/ui/shared.cpp +++ b/tool/mdprep/src/ui/shared.cpp @@ -20,15 +20,15 @@ namespace VTX::Tool::Mdprep::ui { case E_COMMON_FIELDS_COMBOBOX::bioForcefield: p_label = VTX::UI::QT::Util::LabelWithHelper( - "Force Field for biological molecules", - "Sets of values used by the engine to compute biological molecules motion.", + "Force Field for biological systems", + "Sets of values used by the engine to compute biological systems motion.", VTX::UI::QT::Util::LabelWithHelper::E_QUESTIONMARK_POSITION::left ); break; case E_COMMON_FIELDS_COMBOBOX::chemForcefield: p_label = VTX::UI::QT::Util::LabelWithHelper( - "Force Field for Small Organic molecules", - "Sets of values used by the engine to compute small organic molecules motion.", + "Force Field for Small Organic systems", + "Sets of values used by the engine to compute small organic systems motion.", VTX::UI::QT::Util::LabelWithHelper::E_QUESTIONMARK_POSITION::left ); break; diff --git a/tool/mdprep/test/src/gateway/test.cpp b/tool/mdprep/test/src/gateway/test.cpp index be823f32d..1f78b7139 100644 --- a/tool/mdprep/test/src/gateway/test.cpp +++ b/tool/mdprep/test/src/gateway/test.cpp @@ -3,7 +3,7 @@ // #include #include -#include +#include #include #include #include @@ -26,16 +26,16 @@ TEST_CASE( "VTX_TOOL_MdPrep - test", "[test]" ) VTX::App::SCENE().reset(); const char * itemName = "2QWO"; - const VTX::FilePath moleculePath = VTX::App::Filesystem::getInternalDataDir() / "2qwo.nolig.pdb"; - VTX::App::Action::Scene::LoadMolecule loadMoleculeAction = VTX::App::Action::Scene::LoadMolecule( moleculePath ); - loadMoleculeAction.execute(); + const VTX::FilePath systemPath = VTX::App::Filesystem::getInternalDataDir() / "2qwo.nolig.pdb"; + VTX::App::Action::Scene::LoadSystem loadSystemAction = VTX::App::Action::Scene::LoadSystem( systemPath ); + loadSystemAction.execute(); // VTX::App::SCENE().onSceneItemAdded += [ & ]( VTX::App::Component::Scene::SceneItemComponent item ) { VTX::App::Core::ECS::BaseEntity molEntity = VTX::App::SCENE().getItem( itemName ); REQUIRE( VTX::App::ECS_REGISTRY().isValid( molEntity ) ); - VTX::App::Component::Chemistry::Molecule & mol - = VTX::App::ECS_REGISTRY().getComponent( molEntity ); + VTX::App::Component::Chemistry::System & mol + = VTX::App::ECS_REGISTRY().getComponent( molEntity ); }; return; }