From a162ffb32ce83abb1e7d6f847ae6ad137120bbeb Mon Sep 17 00:00:00 2001 From: Nicolas Dacquay Date: Thu, 21 Mar 2024 15:32:17 +0100 Subject: [PATCH 01/37] - Add pytx tool and command line widget - Harmonize tool registration with other registrations - Add TOOL_HANDLER system to easily get and check tools. --- lib/app/include/app/core/collection.hpp | 3 +- .../include/app/core/system/base_system.hpp | 4 +- lib/app/include/app/vtx_app.hpp | 2 + lib/app/src/app/vtx_app.cpp | 31 ++--------- .../src/python_binding/log_redirection.cpp | 1 - .../include/ui/core/base_ui_application.hpp | 4 +- .../core/example/tool_registration_test.hpp | 5 +- lib/ui/include/ui/core/tool_handler.hpp | 34 ++++++++++++ lib/ui/include/ui/core/tool_registration.hpp | 24 --------- lib/ui/include/ui/core/tool_registry.hpp | 22 ++++++-- lib/ui/include/ui/qt/application_qt.hpp | 2 + lib/ui/include/ui/qt/base_qt_tool.hpp | 3 +- lib/ui/include/ui/qt/main_window.hpp | 2 + lib/ui/include/ui/qt/qt_tool_manager.hpp | 31 ----------- .../qt/tool/console/widget/console_widget.hpp | 9 +++- lib/ui/include/ui/qt/tool/console_tool.hpp | 8 ++- .../orient_on_first_molecule_loaded.hpp | 8 ++- .../pytx/details/include_python_binding.hpp | 9 ++++ .../tool/pytx/widget/command_line_prompt.hpp | 31 +++++++++++ lib/ui/include/ui/qt/tool/pytx_tool.hpp | 23 ++++++++ lib/ui/include/ui/qt/tool/render_window.hpp | 12 +++-- .../ui/qt/tool/ui_features/quit_tool.hpp | 9 +++- lib/ui/src/ui/core/base_ui_application.cpp | 1 + lib/ui/src/ui/core/io/vtx_layout_reader.cpp | 1 + lib/ui/src/ui/core/layout_builder.cpp | 10 ++-- lib/ui/src/ui/core/tool_handler.cpp | 40 ++++++++++++++ lib/ui/src/ui/qt/application_qt.cpp | 4 ++ lib/ui/src/ui/qt/base_qt_tool.cpp | 3 +- lib/ui/src/ui/qt/main_window.cpp | 23 ++++++++ lib/ui/src/ui/qt/qt_tool_manager.cpp | 20 ------- .../qt/tool/console/widget/console_widget.cpp | 18 +++++-- lib/ui/src/ui/qt/tool/console_tool.cpp | 3 -- .../tool/pytx/widget/command_line_prompt.cpp | 54 +++++++++++++++++++ lib/ui/src/ui/qt/tool/pytx_tool.cpp | 15 ++++++ lib/ui/src/ui/qt/tool/render_window.cpp | 11 ++-- .../src/ui/qt/tool/ui_features/quit_tool.cpp | 44 ++++++++++++--- lib/ui/test/src/include_tools.hpp | 1 + 37 files changed, 371 insertions(+), 154 deletions(-) create mode 100644 lib/ui/include/ui/core/tool_handler.hpp delete mode 100644 lib/ui/include/ui/core/tool_registration.hpp delete mode 100644 lib/ui/include/ui/qt/qt_tool_manager.hpp create mode 100644 lib/ui/include/ui/qt/tool/pytx/details/include_python_binding.hpp create mode 100644 lib/ui/include/ui/qt/tool/pytx/widget/command_line_prompt.hpp create mode 100644 lib/ui/include/ui/qt/tool/pytx_tool.hpp create mode 100644 lib/ui/src/ui/core/tool_handler.cpp delete mode 100644 lib/ui/src/ui/qt/qt_tool_manager.cpp create mode 100644 lib/ui/src/ui/qt/tool/pytx/widget/command_line_prompt.cpp create mode 100644 lib/ui/src/ui/qt/tool/pytx_tool.cpp diff --git a/lib/app/include/app/core/collection.hpp b/lib/app/include/app/core/collection.hpp index 1fe6a5bd7..693e53e31 100644 --- a/lib/app/include/app/core/collection.hpp +++ b/lib/app/include/app/core/collection.hpp @@ -13,7 +13,8 @@ namespace VTX::App::Core using CollectionKey = std::string; template - concept CollectionableConcept = requires( const T & _collectionable ) { _collectionable.clone(); }; + concept CollectionableConcept + = requires( const T & _collectionable, std::unique_ptr p_clone ) { p_clone = _collectionable.clone(); }; template class Collection : public Util::Generic::BaseStaticSingleton> diff --git a/lib/app/include/app/core/system/base_system.hpp b/lib/app/include/app/core/system/base_system.hpp index 19484b314..cf58fa602 100644 --- a/lib/app/include/app/core/system/base_system.hpp +++ b/lib/app/include/app/core/system/base_system.hpp @@ -6,8 +6,8 @@ namespace VTX::App::Core::System class BaseSystem { public: - BaseSystem() = default; - ~BaseSystem() = default; + BaseSystem() = default; + virtual ~BaseSystem() = default; }; } // namespace VTX::App::Core::System diff --git a/lib/app/include/app/vtx_app.hpp b/lib/app/include/app/vtx_app.hpp index 37170c6a2..267ef0262 100644 --- a/lib/app/include/app/vtx_app.hpp +++ b/lib/app/include/app/vtx_app.hpp @@ -61,6 +61,8 @@ namespace VTX::App Util::Callback<> onEndOfFrameOneShot; + Util::Callback<> onStop; + private: Util::Chrono _tickChrono = Util::Chrono(); diff --git a/lib/app/src/app/vtx_app.cpp b/lib/app/src/app/vtx_app.cpp index 3d1929036..bbb6e5145 100644 --- a/lib/app/src/app/vtx_app.cpp +++ b/lib/app/src/app/vtx_app.cpp @@ -151,36 +151,15 @@ namespace VTX::App ) ); } - void VTXApp::stop() { _stop(); } - - void VTXApp::_handleArgs( const std::vector & p_args ) + void VTXApp::stop() { - std::vector files = std::vector(); - std::vector pdbIds = std::vector(); - - for ( const std::string & arg : p_args ) - { - if ( arg.find( "." ) != std::string::npos ) - { - files.emplace_back( FilePath( arg ) ); - } - else - { - pdbIds.emplace_back( arg ); - } - } - - // if ( files.size() > 0 ) - //{ - // VTX_ACTION( files ); - // } + onStop(); - // for ( const std::string & pdbId : pdbIds ) - //{ - // VTX_ACTION( pdbId ); - // } + _stop(); } + void VTXApp::_handleArgs( const std::vector & p_args ) {} + // bool VTXApp::hasAnyModifications() const // { // const bool hasSavePath = !getScenePathData().getCurrentPath().empty(); diff --git a/lib/python_binding/src/python_binding/log_redirection.cpp b/lib/python_binding/src/python_binding/log_redirection.cpp index a6d692527..5f8f46296 100644 --- a/lib/python_binding/src/python_binding/log_redirection.cpp +++ b/lib/python_binding/src/python_binding/log_redirection.cpp @@ -3,7 +3,6 @@ namespace VTX::PythonBinding { - void LogRedirection::write( std::string str ) { VTX_INFO( "{}", str ); } void LogRedirection::flush() { Util::Logger::get().flush(); } diff --git a/lib/ui/include/ui/core/base_ui_application.hpp b/lib/ui/include/ui/core/base_ui_application.hpp index 25bdd70c9..269ef31cf 100644 --- a/lib/ui/include/ui/core/base_ui_application.hpp +++ b/lib/ui/include/ui/core/base_ui_application.hpp @@ -2,6 +2,7 @@ #define __VTX_UI_CORE_BASE_UI_APPLICATION__ #include +#include #include namespace VTX::UI::Core @@ -17,11 +18,12 @@ namespace VTX::UI::Core virtual void update(); virtual void stop(); - virtual void quit(); int getReturnCode() const { return _returnCode; }; + Util::Callback<> onInitEnded; + protected: int _returnCode = EXIT_SUCCESS; diff --git a/lib/ui/include/ui/core/example/tool_registration_test.hpp b/lib/ui/include/ui/core/example/tool_registration_test.hpp index 377c45234..762799792 100644 --- a/lib/ui/include/ui/core/example/tool_registration_test.hpp +++ b/lib/ui/include/ui/core/example/tool_registration_test.hpp @@ -1,16 +1,17 @@ #ifndef __VTX_UI_CORE_EXAMPLE_TOOL_REGISTRATION_TEST__ #define __VTX_UI_CORE_EXAMPLE_TOOL_REGISTRATION_TEST__ -#include "ui/core/tool_registration.hpp" +#include "ui/core/tool_registry.hpp" namespace VTX::UI::Core::Example { class VTXUIToolTest : public BaseVTXUITool { - REGISTER_TOOL( VTXUIToolTest, "VTXUIToolTest" ); + inline static const ToolRegistry::Registration _reg { "VTXUIToolTest" }; public: VTXUIToolTest(); + void instantiateTool() override {}; }; diff --git a/lib/ui/include/ui/core/tool_handler.hpp b/lib/ui/include/ui/core/tool_handler.hpp new file mode 100644 index 000000000..170de722d --- /dev/null +++ b/lib/ui/include/ui/core/tool_handler.hpp @@ -0,0 +1,34 @@ +#ifndef __VTX_UI_CORE_TOOL_HANDLER__ +#define __VTX_UI_CORE_TOOL_HANDLER__ + +#include +#include +#include +#include +#include + +namespace VTX::UI::Core +{ + class ToolHandler : public App::Core::System::BaseSystem + { + public: + inline static const App::Application::System::SystemRegistration SYSTEM {}; + + public: + ToolHandler(); + ~ToolHandler(); + + BaseVTXUITool * create( const ToolIdentifier & p_identifier ); + void link( const ToolIdentifier & p_identifier, BaseVTXUITool * p_toolPtr ); + BaseVTXUITool & get( const ToolIdentifier & p_identifier ) const; + bool exists( const ToolIdentifier & p_identifier ) const; + + private: + std::map _mapTools; + std::vector> _storedTools; + }; + + ToolHandler & TOOL_HANDLER(); +} // namespace VTX::UI::Core + +#endif diff --git a/lib/ui/include/ui/core/tool_registration.hpp b/lib/ui/include/ui/core/tool_registration.hpp deleted file mode 100644 index 5665397a6..000000000 --- a/lib/ui/include/ui/core/tool_registration.hpp +++ /dev/null @@ -1,24 +0,0 @@ -#ifndef __VTX_UI_CORE_TOOL_REGISTRATION__ -#define __VTX_UI_CORE_TOOL_REGISTRATION__ - -#include "base_ui_tool.hpp" -#include "tool_registry.hpp" - -namespace VTX -{ -#define REGISTER_TOOL( TYPE, NAME ) \ - inline static const VTX::UI::Core::Registration reg = VTX::UI::Core::Registration( NAME ) -} // namespace VTX - -namespace VTX::UI::Core -{ - - template - class Registration - { - public: - Registration( ToolIdentifier const & p_identifier ) { ToolRegistry::registerTool( p_identifier ); } - }; -} // namespace VTX::UI::Core - -#endif diff --git a/lib/ui/include/ui/core/tool_registry.hpp b/lib/ui/include/ui/core/tool_registry.hpp index 06b566b0f..26b5ad5e3 100644 --- a/lib/ui/include/ui/core/tool_registry.hpp +++ b/lib/ui/include/ui/core/tool_registry.hpp @@ -3,24 +3,35 @@ #include "base_ui_tool.hpp" #include "layout_descriptor.hpp" +#include +#include #include +#include #include namespace VTX::UI::Core { template - BaseVTXUITool * createT() + std::unique_ptr createT() { - return new T(); + return std::make_unique(); } class ToolRegistry { + public: + template + class Registration + { + public: + Registration( const ToolIdentifier & p_identifier ) { registerTool( p_identifier ); } + }; + protected: - using map_type = std::map; + using map_type = std::map()>>; public: - static BaseVTXUITool * createInstance( const ToolIdentifier & p_identifier ) + static std::unique_ptr createInstance( const ToolIdentifier & p_identifier ) { map_type::iterator it = map.find( p_identifier ); @@ -36,13 +47,14 @@ namespace VTX::UI::Core getMap().insert( std::make_pair( p_identifier, &createT ) ); } + static bool exists( const ToolIdentifier & p_identifier ) { return map.find( p_identifier ) != map.end(); } + protected: static map_type & getMap() { return map; } private: inline static map_type map = map_type(); }; - } // namespace VTX::UI::Core #endif diff --git a/lib/ui/include/ui/qt/application_qt.hpp b/lib/ui/include/ui/qt/application_qt.hpp index a29dd7668..cdcee5133 100644 --- a/lib/ui/include/ui/qt/application_qt.hpp +++ b/lib/ui/include/ui/qt/application_qt.hpp @@ -48,6 +48,8 @@ namespace VTX::UI::QT bool notify( QObject * const, QEvent * const ) override; + void softQuit(); + protected: void _initUI( const std::vector & p_args ) override; void _startUI( const std::vector & p_args ) override; diff --git a/lib/ui/include/ui/qt/base_qt_tool.hpp b/lib/ui/include/ui/qt/base_qt_tool.hpp index 2cc191c5e..d5610f800 100644 --- a/lib/ui/include/ui/qt/base_qt_tool.hpp +++ b/lib/ui/include/ui/qt/base_qt_tool.hpp @@ -1,9 +1,8 @@ #ifndef __VTX_UI_QT_BASE_QT_TOOL__ #define __VTX_UI_QT_BASE_QT_TOOL__ +#include "ui/core/base_ui_tool.hpp" #include -#include -#include namespace VTX::UI::QT { diff --git a/lib/ui/include/ui/qt/main_window.hpp b/lib/ui/include/ui/qt/main_window.hpp index 3161c794e..861315b35 100644 --- a/lib/ui/include/ui/qt/main_window.hpp +++ b/lib/ui/include/ui/qt/main_window.hpp @@ -94,7 +94,9 @@ namespace VTX::UI::QT void mouseDoubleClickEvent( QMouseEvent * const p_event ) override; void mouseMoveEvent( QMouseEvent * const p_event ) override; void wheelEvent( QWheelEvent * const p_event ) override; + void changeEvent( QEvent * const p_event ) override; + void closeEvent( QCloseEvent * const p_event ) override; private: QT::Widget::MainMenu::MainMenuBar * _mainMenuBar = nullptr; diff --git a/lib/ui/include/ui/qt/qt_tool_manager.hpp b/lib/ui/include/ui/qt/qt_tool_manager.hpp deleted file mode 100644 index d45a636ba..000000000 --- a/lib/ui/include/ui/qt/qt_tool_manager.hpp +++ /dev/null @@ -1,31 +0,0 @@ -#ifndef __VTX_UI_QT_TOOL_MANAGER__ -#define __VTX_UI_QT_TOOL_MANAGER__ - -#include - -namespace VTX::UI::QT -{ - class BaseQtTool; - - class QtToolManager - { - public: - inline static QtToolManager & get() - { - static QtToolManager instance; - return instance; - } - - private: - public: - void registerTool( const BaseQtTool * const p_tool ); - - private: - QtToolManager(); - ~QtToolManager(); - - std::vector _tools = std::vector(); - }; -} // namespace VTX::UI::QT - -#endif diff --git a/lib/ui/include/ui/qt/tool/console/widget/console_widget.hpp b/lib/ui/include/ui/qt/tool/console/widget/console_widget.hpp index 28b998dc2..23ecbf4db 100644 --- a/lib/ui/include/ui/qt/tool/console/widget/console_widget.hpp +++ b/lib/ui/include/ui/qt/tool/console/widget/console_widget.hpp @@ -2,6 +2,7 @@ #define __VTX_UI_TOOL_CONSOLE_WIDGET_CONSOLE__ #include "ui/qt/qt_panel.hpp" +#include "ui/qt/tool/pytx/widget/command_line_prompt.hpp" #include #include #include @@ -17,6 +18,9 @@ namespace VTX::UI::QT::Tool::Console::Widget { NEW_ARCHI_VTX_WIDGET + private: + using CommandLinePrompt = Tool::PyTX::Widget::CommandLinePrompt; + public: inline static const QColor CONSOLE_INFO_COLOR = QColor( "white" ); inline static const QColor CONSOLE_DEBUG_COLOR = QColor( "white" ); @@ -49,8 +53,9 @@ namespace VTX::UI::QT::Tool::Console::Widget QColor _getMessageColor( const Util::LOG_LEVEL p_level ); - QListWidget * _listWidget = nullptr; - QPushButton * _clearWidget = nullptr; + QListWidget * _listWidget = nullptr; + CommandLinePrompt * _commandLineWidget = nullptr; + QPushButton * _clearWidget = nullptr; std::mutex _listWidgetMutex = std::mutex(); }; diff --git a/lib/ui/include/ui/qt/tool/console_tool.hpp b/lib/ui/include/ui/qt/tool/console_tool.hpp index 7331dc9dd..aaddc95a6 100644 --- a/lib/ui/include/ui/qt/tool/console_tool.hpp +++ b/lib/ui/include/ui/qt/tool/console_tool.hpp @@ -1,7 +1,7 @@ #ifndef __VTX_UI_TOOL_CONSOLE_WINDOW__ #define __VTX_UI_TOOL_CONSOLE_WINDOW__ -#include "ui/core/tool_registration.hpp" +#include "ui/core/tool_registry.hpp" #include "ui/qt/base_qt_tool.hpp" #include @@ -9,7 +9,11 @@ namespace VTX::UI::QT::Tool { class ConsoleTool : public BaseQtTool { - REGISTER_TOOL( ConsoleTool, "CONSOLE_TOOL_KEY" ); + public: + inline static const UI::Core::ToolIdentifier TOOL_KEY = "CONSOLE_TOOL_KEY"; + + private: + inline static const UI::Core::ToolRegistry::Registration _reg { TOOL_KEY }; public: inline static const std::string CONSOLE_PANEL_KEY = "CONSOLE_PANEL_KEY"; diff --git a/lib/ui/include/ui/qt/tool/miscellaneous/orient_on_first_molecule_loaded.hpp b/lib/ui/include/ui/qt/tool/miscellaneous/orient_on_first_molecule_loaded.hpp index 96a62322a..56da150e5 100644 --- a/lib/ui/include/ui/qt/tool/miscellaneous/orient_on_first_molecule_loaded.hpp +++ b/lib/ui/include/ui/qt/tool/miscellaneous/orient_on_first_molecule_loaded.hpp @@ -1,7 +1,7 @@ #ifndef __VTX_UI_QT_TOOL_MISCELLANEOUS_ORIENT_ON_FIRST_MOLECULE_LOADED__ #define __VTX_UI_QT_TOOL_MISCELLANEOUS_ORIENT_ON_FIRST_MOLECULE_LOADED__ -#include "ui/core/tool_registration.hpp" +#include "ui/core/tool_registry.hpp" #include "ui/qt/base_qt_tool.hpp" #include @@ -9,7 +9,11 @@ namespace VTX::UI::QT::Tool::Miscellaneous { class OrientOnFirstMoleculeLoadedTool : public BaseQtTool { - REGISTER_TOOL( OrientOnFirstMoleculeLoadedTool, "MISCELLANEOUS_ORIENT_ON_FIRST_MOLECULE_LOADED" ); + public: + inline static const UI::Core::ToolIdentifier TOOL_KEY = "MISCELLANEOUS_ORIENT_ON_FIRST_MOLECULE_LOADED"; + + private: + inline static const UI::Core::ToolRegistry::Registration _reg { TOOL_KEY }; public: OrientOnFirstMoleculeLoadedTool(); diff --git a/lib/ui/include/ui/qt/tool/pytx/details/include_python_binding.hpp b/lib/ui/include/ui/qt/tool/pytx/details/include_python_binding.hpp new file mode 100644 index 000000000..82b3e85ea --- /dev/null +++ b/lib/ui/include/ui/qt/tool/pytx/details/include_python_binding.hpp @@ -0,0 +1,9 @@ +// Push "slots" macro declared in qt because used as member name in PyType_Spec in Python37/Python/include/object.h +// (also in other versions of Python ?) +#pragma push_macro( "slots" ) +#undef slots +#include +#include +#include +#include +#pragma pop_macro( "slots" ) diff --git a/lib/ui/include/ui/qt/tool/pytx/widget/command_line_prompt.hpp b/lib/ui/include/ui/qt/tool/pytx/widget/command_line_prompt.hpp new file mode 100644 index 000000000..a6f16cecd --- /dev/null +++ b/lib/ui/include/ui/qt/tool/pytx/widget/command_line_prompt.hpp @@ -0,0 +1,31 @@ +#ifndef __VTX_UI_TOOL_PYTX_WIDGET_COMMAND_LINE_PROMPT__ +#define __VTX_UI_TOOL_PYTX_WIDGET_COMMAND_LINE_PROMPT__ + +#include "ui/qt/widget/base_manual_widget.hpp" +#include +#include +#include + +namespace VTX::UI::QT::Tool::PyTX::Widget +{ + class CommandLinePrompt : public QT::Widget::BaseManualWidget + { + NEW_ARCHI_VTX_WIDGET + + public: + void localize() override; + + protected: + CommandLinePrompt( QWidget * p_parent = nullptr ); + ~CommandLinePrompt() = default; + + void _setupUi( const QString & p_name ) override; + void _setupSlots() override; + + private: + void _launchCommand(); + + QLineEdit * _promptWidget = nullptr; + }; +} // namespace VTX::UI::QT::Tool::PyTX::Widget +#endif diff --git a/lib/ui/include/ui/qt/tool/pytx_tool.hpp b/lib/ui/include/ui/qt/tool/pytx_tool.hpp new file mode 100644 index 000000000..41d48bdd5 --- /dev/null +++ b/lib/ui/include/ui/qt/tool/pytx_tool.hpp @@ -0,0 +1,23 @@ +#ifndef __VTX_UI_TOOL_PYTX_TOOL__ +#define __VTX_UI_TOOL_PYTX_TOOL__ + +#include "ui/core/tool_registry.hpp" +#include "ui/qt/base_qt_tool.hpp" + +namespace VTX::UI::QT::Tool +{ + class PyTXTool : public BaseQtTool + { + public: + inline static const UI::Core::ToolIdentifier TOOL_KEY = "PYTX_TOOL_KEY"; + + private: + inline static const UI::Core::ToolRegistry::Registration _reg { TOOL_KEY }; + + public: + PyTXTool(); + void instantiateTool() override; + }; +} // namespace VTX::UI::QT::Tool + +#endif diff --git a/lib/ui/include/ui/qt/tool/render_window.hpp b/lib/ui/include/ui/qt/tool/render_window.hpp index 80e38722e..97da44791 100644 --- a/lib/ui/include/ui/qt/tool/render_window.hpp +++ b/lib/ui/include/ui/qt/tool/render_window.hpp @@ -1,20 +1,26 @@ #ifndef __VTX_UI_TOOL_DEFAULT_RENDER_WINDOW__ #define __VTX_UI_TOOL_DEFAULT_RENDER_WINDOW__ -#include "ui/core/tool_registration.hpp" +#include "ui/core/tool_registry.hpp" #include "ui/qt/base_qt_tool.hpp" namespace VTX::UI::QT::Tool { class RenderWindow : public BaseQtTool { - REGISTER_TOOL( RenderWindow, "RENDER_WINDOW_KEY" ); + public: + inline static const UI::Core::ToolIdentifier TOOL_KEY = "RENDER_WINDOW_KEY"; + + private: + inline static const UI::Core::ToolRegistry::Registration _reg { TOOL_KEY }; public: RenderWindow(); void instantiateTool() override; - void setupContextualMenu() const; + + private: + void _setupContextualMenu() const; }; } // namespace VTX::UI::QT::Tool diff --git a/lib/ui/include/ui/qt/tool/ui_features/quit_tool.hpp b/lib/ui/include/ui/qt/tool/ui_features/quit_tool.hpp index 0b257c179..216031941 100644 --- a/lib/ui/include/ui/qt/tool/ui_features/quit_tool.hpp +++ b/lib/ui/include/ui/qt/tool/ui_features/quit_tool.hpp @@ -1,14 +1,18 @@ #ifndef __VTX_UI_QT_TOOL_UI_FEATURES_QUIT__ #define __VTX_UI_QT_TOOL_UI_FEATURES_QUIT__ -#include "ui/core/tool_registration.hpp" +#include "ui/core/tool_registry.hpp" #include "ui/qt/base_qt_tool.hpp" namespace VTX::UI::QT::Tool::UIFeatures { class QuitTool : public BaseQtTool { - REGISTER_TOOL( QuitTool, "UI_FEATURE_QUIT" ); + public: + inline static const UI::Core::ToolIdentifier TOOL_KEY = "UI_FEATURE_QUIT"; + + private: + inline static const UI::Core::ToolRegistry::Registration _reg { TOOL_KEY }; public: QuitTool(); @@ -16,6 +20,7 @@ namespace VTX::UI::QT::Tool::UIFeatures private: void _addButtonsInMainMenu(); + void _addCommands() const; void _quit(); }; diff --git a/lib/ui/src/ui/core/base_ui_application.cpp b/lib/ui/src/ui/core/base_ui_application.cpp index 097f700bb..a725685cd 100644 --- a/lib/ui/src/ui/core/base_ui_application.cpp +++ b/lib/ui/src/ui/core/base_ui_application.cpp @@ -88,6 +88,7 @@ namespace VTX::UI::Core // App::Application::VTX_ACTION( new App::Old::Action::Main::OpenApi( "1aga" ) ); } #endif + onInitEnded(); } void BaseUIApplication::update() { App::VTXApp::get().update(); } diff --git a/lib/ui/src/ui/core/io/vtx_layout_reader.cpp b/lib/ui/src/ui/core/io/vtx_layout_reader.cpp index 844b1d26d..aeb9f236e 100644 --- a/lib/ui/src/ui/core/io/vtx_layout_reader.cpp +++ b/lib/ui/src/ui/core/io/vtx_layout_reader.cpp @@ -8,6 +8,7 @@ namespace VTX::UI::Core::IO // ToolLayoutData layoutData; _result.layoutDescriptor.addTool( ToolDescriptor( "RENDER_WINDOW_KEY" ) ); + _result.layoutDescriptor.addTool( ToolDescriptor( "PYTX_TOOL_KEY" ) ); _result.layoutDescriptor.addTool( ToolDescriptor( "CONSOLE_TOOL_KEY" ) ); _result.layoutDescriptor.addTool( ToolDescriptor( "UI_FEATURE_QUIT" ) ); _result.layoutDescriptor.addTool( ToolDescriptor( "MISCELLANEOUS_ORIENT_ON_FIRST_MOLECULE_LOADED" ) ); diff --git a/lib/ui/src/ui/core/layout_builder.cpp b/lib/ui/src/ui/core/layout_builder.cpp index ed266d3f1..b024dc03c 100644 --- a/lib/ui/src/ui/core/layout_builder.cpp +++ b/lib/ui/src/ui/core/layout_builder.cpp @@ -1,5 +1,5 @@ #include "ui/core/layout_builder.hpp" -#include "ui/core/tool_registry.hpp" +#include "ui/core/tool_handler.hpp" #include namespace VTX::UI::Core @@ -14,16 +14,16 @@ namespace VTX::UI::Core void LayoutBuilder::_instantiateTool( const ToolDescriptor & p_toolDescriptor ) const { - BaseVTXUITool * const tool = UI::Core::ToolRegistry::createInstance( p_toolDescriptor.getIdentifier() ); + BaseVTXUITool * toolPtr = TOOL_HANDLER().create( p_toolDescriptor.getIdentifier() ); - if ( tool == nullptr ) + if ( toolPtr == nullptr ) { VTX_ERROR( "Tool {} not loaded into VTX.", p_toolDescriptor.getIdentifier() ); return; } - tool->setLayoutData( p_toolDescriptor.getLayoutData() ); - tool->instantiateTool(); + toolPtr->setLayoutData( p_toolDescriptor.getLayoutData() ); + toolPtr->instantiateTool(); } } // namespace VTX::UI::Core diff --git a/lib/ui/src/ui/core/tool_handler.cpp b/lib/ui/src/ui/core/tool_handler.cpp new file mode 100644 index 000000000..2f4018486 --- /dev/null +++ b/lib/ui/src/ui/core/tool_handler.cpp @@ -0,0 +1,40 @@ +#include "ui/core/tool_handler.hpp" +#include "ui/core/tool_registry.hpp" +#include "ui/qt/widget/custom/dock_window_main_widget.hpp" + +namespace VTX::UI::Core +{ + ToolHandler::ToolHandler() {} + ToolHandler::~ToolHandler() {} + + BaseVTXUITool * ToolHandler::create( const ToolIdentifier & p_identifier ) + { + assert( !exists( p_identifier ) ); + + if ( !ToolRegistry::exists( p_identifier ) ) + return nullptr; + + const std::unique_ptr & toolPtr + = _storedTools.emplace_back( ToolRegistry::createInstance( p_identifier ) ); + + _mapTools[ p_identifier ] = toolPtr.get(); + + return toolPtr.get(); + } + + void ToolHandler::link( const ToolIdentifier & p_identifier, BaseVTXUITool * p_toolPtr ) + { + assert( !exists( p_identifier ) ); + _mapTools[ p_identifier ] = p_toolPtr; + } + + BaseVTXUITool & ToolHandler::get( const ToolIdentifier & p_identifier ) const + { + assert( exists( p_identifier ) ); + return *( _mapTools.at( p_identifier ) ); + } + bool ToolHandler::exists( const ToolIdentifier & p_identifier ) const { return _mapTools.contains( p_identifier ); } + + ToolHandler & TOOL_HANDLER() { return ToolHandler::SYSTEM.get(); } + +} // namespace VTX::UI::Core diff --git a/lib/ui/src/ui/qt/application_qt.cpp b/lib/ui/src/ui/qt/application_qt.cpp index 3e45a9f36..65ca185f6 100644 --- a/lib/ui/src/ui/qt/application_qt.cpp +++ b/lib/ui/src/ui/qt/application_qt.cpp @@ -125,6 +125,8 @@ namespace VTX::UI::QT { delete _mainWindow; } + + _currentMode = nullptr; } bool ApplicationQt::notify( QObject * const receiver, QEvent * const event ) @@ -143,6 +145,8 @@ namespace VTX::UI::QT } } + void ApplicationQt::softQuit() { closeAllWindows(); } + Mode::BaseMode & MODE() { return QT_APP()->getCurrentMode(); } } // namespace VTX::UI::QT diff --git a/lib/ui/src/ui/qt/base_qt_tool.cpp b/lib/ui/src/ui/qt/base_qt_tool.cpp index b9fbb1016..e15eb7d1a 100644 --- a/lib/ui/src/ui/qt/base_qt_tool.cpp +++ b/lib/ui/src/ui/qt/base_qt_tool.cpp @@ -1,7 +1,6 @@ #include "ui/qt/base_qt_tool.hpp" -#include "ui/qt/qt_tool_manager.hpp" namespace VTX::UI::QT { - BaseQtTool::BaseQtTool() : VTX::UI::Core::BaseVTXUITool(), QObject() { QtToolManager::get().registerTool( this ); } + BaseQtTool::BaseQtTool() : VTX::UI::Core::BaseVTXUITool(), QObject() {} } // namespace VTX::UI::QT diff --git a/lib/ui/src/ui/qt/main_window.cpp b/lib/ui/src/ui/qt/main_window.cpp index 552b028c7..a2233b998 100644 --- a/lib/ui/src/ui/qt/main_window.cpp +++ b/lib/ui/src/ui/qt/main_window.cpp @@ -1,8 +1,10 @@ #include "ui/qt/main_window.hpp" +#include "ui/qt/application_qt.hpp" #include "ui/qt/input/input_manager.hpp" #include "ui/qt/tool/render/widget/render_widget.hpp" #include "ui/qt/util.hpp" #include "ui/qt/widget_factory.hpp" +#include #include namespace VTX::UI::QT @@ -192,6 +194,7 @@ namespace VTX::UI::QT } void MainWindow::mouseMoveEvent( QMouseEvent * const p_event ) { INPUT_MANAGER().handleMouseEvent( *p_event ); } void MainWindow::wheelEvent( QWheelEvent * const p_event ) { INPUT_MANAGER().handleMouseWheelEvent( *p_event ); } + void MainWindow::changeEvent( QEvent * const p_event ) { QMainWindow::changeEvent( p_event ); @@ -201,6 +204,26 @@ namespace VTX::UI::QT INPUT_MANAGER().clearKeyboardBuffer(); } } + void MainWindow::closeEvent( QCloseEvent * const p_closeEvent ) + { + // if ( App::SCENE().hasAnyModifications() ) + //{ + // p_closeEvent->ignore(); + // Worker::CallbackThread callback = Worker::CallbackThread( + // []( const uint p_code ) + // { + // if ( p_code ) + // VTXApp::get().quit(); + // } + // ); + + // UI::Dialog::leavingSessionDialog( callback ); + //} + // else + { + p_closeEvent->accept(); + } + } void MainWindow::_updatePicker() const { diff --git a/lib/ui/src/ui/qt/qt_tool_manager.cpp b/lib/ui/src/ui/qt/qt_tool_manager.cpp deleted file mode 100644 index aba296fed..000000000 --- a/lib/ui/src/ui/qt/qt_tool_manager.cpp +++ /dev/null @@ -1,20 +0,0 @@ -#include "ui/qt/qt_tool_manager.hpp" -#include "ui/qt/base_qt_tool.hpp" - -namespace VTX::UI::QT -{ - QtToolManager::QtToolManager() {} - QtToolManager::~QtToolManager() - { - for ( const BaseQtTool * const tool : _tools ) - { - delete tool; - } - - _tools.clear(); - _tools.shrink_to_fit(); - } - - void QtToolManager::registerTool( const BaseQtTool * const p_tool ) { _tools.emplace_back( p_tool ); } - -} // namespace VTX::UI::QT diff --git a/lib/ui/src/ui/qt/tool/console/widget/console_widget.cpp b/lib/ui/src/ui/qt/tool/console/widget/console_widget.cpp index 5f3194b06..b562f4385 100644 --- a/lib/ui/src/ui/qt/tool/console/widget/console_widget.cpp +++ b/lib/ui/src/ui/qt/tool/console/widget/console_widget.cpp @@ -2,6 +2,7 @@ #include "app/application/system/action_manager.hpp" #include "ui/qt/tool/console/action/console.hpp" #include "ui/qt/widget/custom/dock_window_main_widget.hpp" +#include "ui/qt/widget_factory.hpp" #include #include #include @@ -40,6 +41,8 @@ namespace VTX::UI::QT::Tool::Console::Widget sizePolicy.setVerticalStretch( 10 ); _listWidget->setSizePolicy( sizePolicy ); + _commandLineWidget = WidgetFactory::get().instantiateWidget( this, "_commandLineWidget" ); + _clearWidget = new QPushButton( this ); _clearWidget->setText( "Clear" ); _clearWidget->setSizePolicy( QSizePolicy::Policy::Minimum, QSizePolicy::Policy::Minimum ); @@ -49,12 +52,17 @@ namespace VTX::UI::QT::Tool::Console::Widget buttonsLayout->addWidget( _clearWidget ); buttonsLayout->addStretch( 1000 ); - QHBoxLayout * const mainLayout = new QHBoxLayout( mainWidget ); - mainLayout->setSpacing( 5 ); - mainLayout->setContentsMargins( 0, 0, 2, 0 ); + QHBoxLayout * const logLayout = new QHBoxLayout(); + logLayout->setSpacing( 5 ); + logLayout->setContentsMargins( 0, 0, 2, 0 ); + + logLayout->addWidget( _listWidget, 100 ); + logLayout->addLayout( buttonsLayout, 1 ); - mainLayout->addWidget( _listWidget, 100 ); - mainLayout->addLayout( buttonsLayout, 1 ); + QVBoxLayout * const mainLayout = new QVBoxLayout( mainWidget ); + mainLayout->setSpacing( 1 ); + mainLayout->addLayout( logLayout, 100 ); + mainLayout->addWidget( _commandLineWidget, 1 ); setWidget( mainWidget ); } diff --git a/lib/ui/src/ui/qt/tool/console_tool.cpp b/lib/ui/src/ui/qt/tool/console_tool.cpp index 77b82e5d4..04eb8cb55 100644 --- a/lib/ui/src/ui/qt/tool/console_tool.cpp +++ b/lib/ui/src/ui/qt/tool/console_tool.cpp @@ -23,9 +23,6 @@ namespace VTX::UI::QT::Tool mainWindow->addDockWidgetAsTabified( consoleWidget, Qt::DockWidgetArea::BottomDockWidgetArea, Qt::Orientation::Vertical, true ); - - // static_cast( consoleWidget )->setVisible( true ); - // consoleWidget->setBaseSize( { 200, 80 } ); } } // namespace VTX::UI::QT::Tool diff --git a/lib/ui/src/ui/qt/tool/pytx/widget/command_line_prompt.cpp b/lib/ui/src/ui/qt/tool/pytx/widget/command_line_prompt.cpp new file mode 100644 index 000000000..936718fab --- /dev/null +++ b/lib/ui/src/ui/qt/tool/pytx/widget/command_line_prompt.cpp @@ -0,0 +1,54 @@ +#include "ui/qt/tool/pytx/widget/command_line_prompt.hpp" +#include "ui/qt/tool/pytx/details/include_python_binding.hpp" +#include +#include +#include + +namespace VTX::UI::QT::Tool::PyTX::Widget +{ + CommandLinePrompt::CommandLinePrompt( QWidget * p_parent ) : BaseManualWidget( p_parent ) {} + + void CommandLinePrompt::_setupUi( const QString & p_name ) + { + BaseManualWidget::_setupUi( p_name ); + + setContentsMargins( 0, 0, 0, 0 ); + + QLabel * const promptLabel = new QLabel( this ); + promptLabel->setText( "Command >" ); + + _promptWidget = new QLineEdit( this ); + _promptWidget->setPlaceholderText( "Write command here ( e.g. select( mol_n='1AGA' )" ); + _promptWidget->setClearButtonEnabled( true ); + + QHBoxLayout * const horizontalLayout = new QHBoxLayout( this ); + horizontalLayout->addWidget( promptLabel, 1 ); + horizontalLayout->addWidget( _promptWidget, 100 ); + } + + void CommandLinePrompt::_setupSlots() + { + connect( _promptWidget, &QLineEdit::returnPressed, this, &CommandLinePrompt::_launchCommand ); + }; + void CommandLinePrompt::localize() {} + + void CommandLinePrompt::_launchCommand() + { + if ( _promptWidget->text().isEmpty() ) + return; + + const std::string command = _promptWidget->text().toStdString(); + + try + { + PythonBinding::INTERPRETOR().runCommand( command ); + } + catch ( CommandException & p_e ) + { + _promptWidget->clear(); + throw p_e; + } + + _promptWidget->clear(); + } +} // namespace VTX::UI::QT::Tool::PyTX::Widget diff --git a/lib/ui/src/ui/qt/tool/pytx_tool.cpp b/lib/ui/src/ui/qt/tool/pytx_tool.cpp new file mode 100644 index 000000000..03818da0b --- /dev/null +++ b/lib/ui/src/ui/qt/tool/pytx_tool.cpp @@ -0,0 +1,15 @@ +#include "ui/qt/tool/pytx_tool.hpp" +#include "ui/qt/application_qt.hpp" +#include "ui/qt/tool/pytx/details/include_python_binding.hpp" + +namespace VTX::UI::QT::Tool +{ + PyTXTool::PyTXTool() : BaseQtTool() {} + + void PyTXTool::instantiateTool() + { + PythonBinding::INTERPRETOR().addBinder(); + QT_APP()->onInitEnded += []() { PythonBinding::INTERPRETOR().init(); }; + } + +} // namespace VTX::UI::QT::Tool diff --git a/lib/ui/src/ui/qt/tool/render_window.cpp b/lib/ui/src/ui/qt/tool/render_window.cpp index 5a75e452a..30ac7303d 100644 --- a/lib/ui/src/ui/qt/tool/render_window.cpp +++ b/lib/ui/src/ui/qt/tool/render_window.cpp @@ -3,8 +3,6 @@ #include "ui/qt/main_window.hpp" #include "ui/qt/tool/render/widget/render_widget.hpp" #include "ui/qt/widget_factory.hpp" -#include -#include namespace VTX::UI::QT::Tool { @@ -15,15 +13,16 @@ namespace VTX::UI::QT::Tool QT::MainWindow * const mainWindow = &QT::QT_APP()->getMainWindow(); QT::Tool::Render::Widget::RenderWidget * const renderWidget - = QT::WidgetFactory::get().instantiateWidget( mainWindow, - "renderWidget" ); + = QT::WidgetFactory::get().instantiateWidget( + mainWindow, "renderWidget" + ); mainWindow->referencePanel( "RENDER_WINDOW_KEY", renderWidget ); mainWindow->setCentralWidget( renderWidget ); - setupContextualMenu(); + _setupContextualMenu(); } - void RenderWindow::setupContextualMenu() const {} + void RenderWindow::_setupContextualMenu() const {} } // namespace VTX::UI::QT::Tool diff --git a/lib/ui/src/ui/qt/tool/ui_features/quit_tool.cpp b/lib/ui/src/ui/qt/tool/ui_features/quit_tool.cpp index bada11a26..3e63df390 100644 --- a/lib/ui/src/ui/qt/tool/ui_features/quit_tool.cpp +++ b/lib/ui/src/ui/qt/tool/ui_features/quit_tool.cpp @@ -1,15 +1,35 @@ #include "ui/qt/tool/ui_features/quit_tool.hpp" #include "ui/qt/application_qt.hpp" #include "ui/qt/main_window.hpp" +#include "ui/qt/tool/pytx/details/include_python_binding.hpp" #include "ui/qt/widget/main_menu/menu_toolblock_widget.hpp" #include "ui/qt/widget/main_menu/menu_toolbutton_widget.hpp" #include "ui/qt/widget_factory.hpp" +#include +#include namespace VTX::UI::QT::Tool::UIFeatures { + namespace Action + { + class Quit final : public App::Core::Action::BaseAction + { + public: + Quit() {}; + void execute() override + { + App::VTXApp::get().onEndOfFrameOneShot += []() { QT_APP()->softQuit(); }; + }; + }; + } // namespace Action + QuitTool::QuitTool() : BaseQtTool() {} - void QuitTool::instantiateTool() { _addButtonsInMainMenu(); } + void QuitTool::instantiateTool() + { + _addButtonsInMainMenu(); + _addCommands(); + } void QuitTool::_addButtonsInMainMenu() { @@ -17,17 +37,27 @@ namespace VTX::UI::QT::Tool::UIFeatures QT::Widget::MainMenu::MenuToolBlockWidget & toolBlock = mainWindow->getMainMenuToolBlock( getLayoutData() ); QT::Widget::MainMenu::MenuToolButtonWidget * const quitButton - = QT::WidgetFactory::get().instantiateWidget( &toolBlock, - "quitButton" ); + = QT::WidgetFactory::get().instantiateWidget( + &toolBlock, "quitButton" + ); quitButton->setData( "Quit", ":/sprite/exit_icon.png", Qt::Orientation::Vertical ); quitButton->setTriggerAction( this, &QuitTool::_quit ); toolBlock.pushButton( *quitButton ); } - void QuitTool::_quit() + void QuitTool::_quit() { App::VTX_ACTION().execute(); } + + class Binder final : public PythonBinding::Binder { - QT_APP()->closeAllWindows(); - // VTX_ACTION( new Action::Main::Quit() ); - } + public: + void bind( PythonBinding::PyTXModule & p_vtxmodule ) override + { + PythonBinding::Wrapper::Module commands = p_vtxmodule.commands(); + commands.bindAction( "quit", "Quit the application." ); + } + }; + + void QuitTool::_addCommands() const { PythonBinding::INTERPRETOR().addBinder(); } + } // namespace VTX::UI::QT::Tool::UIFeatures diff --git a/lib/ui/test/src/include_tools.hpp b/lib/ui/test/src/include_tools.hpp index 729df6d2e..e2c2338ea 100644 --- a/lib/ui/test/src/include_tools.hpp +++ b/lib/ui/test/src/include_tools.hpp @@ -3,6 +3,7 @@ #include #include +#include #include #include From 37a752b9b510a1230632a1fca1dde7ded87a9cb0 Mon Sep 17 00:00:00 2001 From: Nicolas Dacquay Date: Thu, 21 Mar 2024 18:05:19 +0100 Subject: [PATCH 02/37] - Add EnTT::connectSignal wrapping function in registry manager - Connect Component::Chemistry::Molecule::onDestroy event to Component::Render::ProxyMolecule _removeFromRenderer() function --- .../app/application/ecs/registry_manager.hpp | 6 ++++++ .../app/application/renderer/proxy_wrapper.hpp | 2 ++ .../app/component/render/proxy_molecule.hpp | 2 ++ .../app/component/render/proxy_molecule.cpp | 18 ++++++++++++------ 4 files changed, 22 insertions(+), 6 deletions(-) diff --git a/lib/app/include/app/application/ecs/registry_manager.hpp b/lib/app/include/app/application/ecs/registry_manager.hpp index 54f87f1bb..c015b0842 100644 --- a/lib/app/include/app/application/ecs/registry_manager.hpp +++ b/lib/app/include/app/application/ecs/registry_manager.hpp @@ -106,6 +106,12 @@ namespace VTX::App::Application::ECS bool isEmpty() const { return _registry.isEmpty(); } + template + void connectSignal( const App::Core::ECS::SIGNAL p_signal, Receiver * const p_receiver ) + { + _registry.connectSignal( p_signal, p_receiver ); + } + template void deleteAll() { diff --git a/lib/app/include/app/application/renderer/proxy_wrapper.hpp b/lib/app/include/app/application/renderer/proxy_wrapper.hpp index 17cae3aec..6770b8635 100644 --- a/lib/app/include/app/application/renderer/proxy_wrapper.hpp +++ b/lib/app/include/app/application/renderer/proxy_wrapper.hpp @@ -36,6 +36,8 @@ namespace VTX::App::Application::Renderer T & proxy() { return *_proxyPtr; } const T & proxy() const { return *_proxyPtr; } + void invalidate() { _proxyPtr = nullptr; } + private: std::unique_ptr _proxyPtr = nullptr; }; diff --git a/lib/app/include/app/component/render/proxy_molecule.hpp b/lib/app/include/app/component/render/proxy_molecule.hpp index f2c346f9f..548a34d45 100644 --- a/lib/app/include/app/component/render/proxy_molecule.hpp +++ b/lib/app/include/app/component/render/proxy_molecule.hpp @@ -39,6 +39,8 @@ namespace VTX::App::Component::Render void _applySelectionCallbacks(); void _applyAtomPositionCallbacks(); + void _removeFromRenderer(); + Application::Renderer::ProxyWrapper _proxyWrapper; }; diff --git a/lib/app/src/app/component/render/proxy_molecule.cpp b/lib/app/src/app/component/render/proxy_molecule.cpp index e168d43da..edd432d6f 100644 --- a/lib/app/src/app/component/render/proxy_molecule.cpp +++ b/lib/app/src/app/component/render/proxy_molecule.cpp @@ -13,18 +13,24 @@ namespace VTX::App::Component::Render { ProxyMolecule::ProxyMolecule() {} - ProxyMolecule::~ProxyMolecule() + ProxyMolecule::~ProxyMolecule() { _removeFromRenderer(); } + void ProxyMolecule::setup( Renderer::Facade & p_renderer ) + { + _addInRenderer( p_renderer ); + _setupCallbacks(); + + MAIN_REGISTRY().connectSignal( + Core::ECS::SIGNAL::DESTROY, this + ); + } + void ProxyMolecule::_removeFromRenderer() { if ( _proxyWrapper.isValid() ) { _proxyWrapper.accessor().proxy().onRemove(); + _proxyWrapper.invalidate(); } } - void ProxyMolecule::setup( Renderer::Facade & p_renderer ) - { - _addInRenderer( p_renderer ); - _setupCallbacks(); - } void ProxyMolecule::_addInRenderer( Renderer::Facade & p_renderer ) { From aee0e589c28b347d198637ed0d55530f59854291 Mon Sep 17 00:00:00 2001 From: Nicolas Dacquay Date: Thu, 21 Mar 2024 19:30:07 +0100 Subject: [PATCH 03/37] - Use external file (tool_config.json) to load tools instead of raw string in code. --- .../include/ui/core/io/vtx_layout_reader.hpp | 3 +- lib/ui/include/ui/core/layout_descriptor.hpp | 3 ++ .../serialization/ui_core_serializers.hpp | 19 ++++++++++++ lib/ui/src/ui/core/base_ui_application.cpp | 5 ++-- lib/ui/src/ui/core/io/vtx_layout_reader.cpp | 12 +++----- .../serialization/ui_core_serializers.cpp | 30 +++++++++++++++++++ lib/ui/test/data/tool_config.json | 23 ++++++++++++++ 7 files changed, 84 insertions(+), 11 deletions(-) create mode 100644 lib/ui/include/ui/core/serialization/ui_core_serializers.hpp create mode 100644 lib/ui/src/ui/core/serialization/ui_core_serializers.cpp create mode 100644 lib/ui/test/data/tool_config.json diff --git a/lib/ui/include/ui/core/io/vtx_layout_reader.hpp b/lib/ui/include/ui/core/io/vtx_layout_reader.hpp index 79e7521ce..dafcd0744 100644 --- a/lib/ui/include/ui/core/io/vtx_layout_reader.hpp +++ b/lib/ui/include/ui/core/io/vtx_layout_reader.hpp @@ -2,6 +2,7 @@ #define __VTX_UI_CORE_IO_VTX_LAYOUT_READER__ #include "ui/core/layout_descriptor.hpp" +#include #include namespace VTX::UI::Core::IO @@ -15,7 +16,7 @@ namespace VTX::UI::Core::IO LayoutDescriptor layoutDescriptor = LayoutDescriptor(); }; - void read(); + void read( const FilePath & p_filePath ); const Result & getResult() const { return _result; } diff --git a/lib/ui/include/ui/core/layout_descriptor.hpp b/lib/ui/include/ui/core/layout_descriptor.hpp index 3abd128c6..c9aaf8a7d 100644 --- a/lib/ui/include/ui/core/layout_descriptor.hpp +++ b/lib/ui/include/ui/core/layout_descriptor.hpp @@ -28,6 +28,9 @@ namespace VTX::UI::Core const ToolIdentifier & getIdentifier() const { return _identifier; } const ToolLayoutData & getLayoutData() const { return _layoutData; } + void setIdentifier( const ToolIdentifier & p_identifier ) { _identifier = p_identifier; } + void setToolLayoutData( const ToolLayoutData & p_layoutData ) { _layoutData = p_layoutData; } + private: ToolIdentifier _identifier; ToolLayoutData _layoutData = ToolLayoutData(); diff --git a/lib/ui/include/ui/core/serialization/ui_core_serializers.hpp b/lib/ui/include/ui/core/serialization/ui_core_serializers.hpp new file mode 100644 index 000000000..23cc6f90e --- /dev/null +++ b/lib/ui/include/ui/core/serialization/ui_core_serializers.hpp @@ -0,0 +1,19 @@ +#ifndef __VTX_UI_CORE_SERIALIZATION_UI_CORE_SERIALIZERS__ +#define __VTX_UI_CORE_SERIALIZATION_UI_CORE_SERIALIZERS__ + +#include "ui/core/layout_descriptor.hpp" +#include +#include + +// Use VTX::App::Internal::Serialization namespace to activate all serializers directly in Serialization +namespace VTX::App::Internal::Serialization +{ + Util::JSon::Object serialize( const UI::Core::LayoutDescriptor & p_component ); + void deserialize( const Util::JSon::Object & p_json, UI::Core::LayoutDescriptor & p_component ); + + Util::JSon::Object serialize( const UI::Core::ToolDescriptor & p_component ); + void deserialize( const Util::JSon::Object & p_json, UI::Core::ToolDescriptor & p_toolDescriptor ); + +} // namespace VTX::App::Internal::Serialization + +#endif diff --git a/lib/ui/src/ui/core/base_ui_application.cpp b/lib/ui/src/ui/core/base_ui_application.cpp index a725685cd..054042576 100644 --- a/lib/ui/src/ui/core/base_ui_application.cpp +++ b/lib/ui/src/ui/core/base_ui_application.cpp @@ -33,8 +33,9 @@ namespace VTX::UI::Core void BaseUIApplication::_buildUI() { - UI::Core::IO::VTXLayoutReader reader = UI::Core::IO::VTXLayoutReader(); - reader.read(); + const FilePath layoutPath = Util::Filesystem::getExecutableDir() / "data" / "tool_config.json"; + UI::Core::IO::VTXLayoutReader reader = UI::Core::IO::VTXLayoutReader(); + reader.read( layoutPath ); UI::Core::LayoutBuilder layoutBuilder = UI::Core::LayoutBuilder(); layoutBuilder.build( reader.getResult().layoutDescriptor ); diff --git a/lib/ui/src/ui/core/io/vtx_layout_reader.cpp b/lib/ui/src/ui/core/io/vtx_layout_reader.cpp index aeb9f236e..6ce9a219e 100644 --- a/lib/ui/src/ui/core/io/vtx_layout_reader.cpp +++ b/lib/ui/src/ui/core/io/vtx_layout_reader.cpp @@ -1,17 +1,13 @@ #include "ui/core/io/vtx_layout_reader.hpp" +#include "ui/core/serialization/ui_core_serializers.hpp" +#include namespace VTX::UI::Core::IO { - void VTXLayoutReader::read() + void VTXLayoutReader::read( const FilePath & p_filePath ) { _result = Result(); - - // ToolLayoutData layoutData; - _result.layoutDescriptor.addTool( ToolDescriptor( "RENDER_WINDOW_KEY" ) ); - _result.layoutDescriptor.addTool( ToolDescriptor( "PYTX_TOOL_KEY" ) ); - _result.layoutDescriptor.addTool( ToolDescriptor( "CONSOLE_TOOL_KEY" ) ); - _result.layoutDescriptor.addTool( ToolDescriptor( "UI_FEATURE_QUIT" ) ); - _result.layoutDescriptor.addTool( ToolDescriptor( "MISCELLANEOUS_ORIENT_ON_FIRST_MOLECULE_LOADED" ) ); + App::SERIALIZER().readObject( p_filePath, _result.layoutDescriptor ); } } // namespace VTX::UI::Core::IO diff --git a/lib/ui/src/ui/core/serialization/ui_core_serializers.cpp b/lib/ui/src/ui/core/serialization/ui_core_serializers.cpp new file mode 100644 index 000000000..8276d6d43 --- /dev/null +++ b/lib/ui/src/ui/core/serialization/ui_core_serializers.cpp @@ -0,0 +1,30 @@ +#include "ui/core/serialization/ui_core_serializers.hpp" +#include +#include +#include + +namespace VTX::App::Internal::Serialization +{ + Util::JSon::Object serialize( const UI::Core::LayoutDescriptor & p_component ) { throw NotImplementedException(); } + + void deserialize( const Util::JSon::Object & p_json, UI::Core::LayoutDescriptor & p_layoutDescriptor ) + { + const Util::JSon::Array & tools = p_json[ "TOOLS" ]; + + for ( const Util::JSon::Object & jsonItem : tools ) + { + UI::Core::ToolDescriptor descriptor; + deserialize( jsonItem, descriptor ); + p_layoutDescriptor.addTool( descriptor ); + } + } + + Util::JSon::Object serialize( const UI::Core::ToolDescriptor & p_component ) { throw NotImplementedException(); } + + void deserialize( const Util::JSon::Object & p_json, UI::Core::ToolDescriptor & p_toolDescriptor ) + { + const std::string toolIdentifier = App::SERIALIZER().deserializeField( p_json, "IDENTIFIER" ); + p_toolDescriptor.setIdentifier( toolIdentifier ); + } + +} // namespace VTX::App::Internal::Serialization diff --git a/lib/ui/test/data/tool_config.json b/lib/ui/test/data/tool_config.json new file mode 100644 index 000000000..ae1f3ad19 --- /dev/null +++ b/lib/ui/test/data/tool_config.json @@ -0,0 +1,23 @@ +{ + "DATA":{ + "TOOLS": [ + { + "IDENTIFIER": "RENDER_WINDOW_KEY" + }, + { + "IDENTIFIER": "PYTX_TOOL_KEY" + }, + { + "IDENTIFIER": "CONSOLE_TOOL_KEY" + }, + { + "IDENTIFIER": "UI_FEATURE_QUIT" + }, + { + "IDENTIFIER": "MISCELLANEOUS_ORIENT_ON_FIRST_MOLECULE_LOADED" + } + ] + }, + + "VERSION":{"MAJOR":1,"MINOR":0,"REVISION":0} +} \ No newline at end of file From 501bcca3a2ef3eff2d8cb16481909c9dc2e58706 Mon Sep 17 00:00:00 2001 From: sguionni Date: Fri, 22 Mar 2024 02:06:11 +0100 Subject: [PATCH 04/37] Add data to renderer bench and test --- lib/renderer/bench/CMakeLists.txt | 1 - lib/renderer/bench/cmake/copy_data.cmake | 1 + lib/renderer/bench/cmake/library.cmake | 17 +- lib/renderer/bench/data/1aga.pdb | 504 ++ lib/renderer/bench/data/4hhb.pdb | 5904 +++++++++++++++++ lib/renderer/bench/data/4v6x.mmtf | Bin 0 -> 2224319 bytes lib/renderer/bench/src/util.hpp | 2 +- .../include/renderer/context/opengl_45.hpp | 3 + .../renderer/scheduler/depth_first_search.hpp | 1 + lib/renderer/src/renderer/renderer.cpp | 2 +- lib/renderer/test/CMakeLists.txt | 3 +- lib/renderer/test/cmake/copy_data.cmake | 1 + lib/renderer/test/cmake/library.cmake | 11 +- lib/renderer/test/conanfile.py | 12 +- lib/renderer/test/data/1aga.pdb | 504 ++ 15 files changed, 6942 insertions(+), 24 deletions(-) create mode 100644 lib/renderer/bench/cmake/copy_data.cmake create mode 100644 lib/renderer/bench/data/1aga.pdb create mode 100644 lib/renderer/bench/data/4hhb.pdb create mode 100644 lib/renderer/bench/data/4v6x.mmtf create mode 100644 lib/renderer/test/cmake/copy_data.cmake create mode 100644 lib/renderer/test/data/1aga.pdb diff --git a/lib/renderer/bench/CMakeLists.txt b/lib/renderer/bench/CMakeLists.txt index 0709a96b3..25fe993e7 100644 --- a/lib/renderer/bench/CMakeLists.txt +++ b/lib/renderer/bench/CMakeLists.txt @@ -16,4 +16,3 @@ set(_VTX_RENDERER_BENCH_CONAN " ") # So the right target name can be linked include(cmake/library.cmake) install(TARGETS vtx_renderer_bench) -install(DIRECTORY ${DIR_SHADERS} DESTINATION bin) diff --git a/lib/renderer/bench/cmake/copy_data.cmake b/lib/renderer/bench/cmake/copy_data.cmake new file mode 100644 index 000000000..6e321d407 --- /dev/null +++ b/lib/renderer/bench/cmake/copy_data.cmake @@ -0,0 +1 @@ +vtx_register_build_directory_copy("${CMAKE_CURRENT_LIST_DIR}/../data" "./data") \ No newline at end of file diff --git a/lib/renderer/bench/cmake/library.cmake b/lib/renderer/bench/cmake/library.cmake index 6aae5b0db..9dbff0f25 100644 --- a/lib/renderer/bench/cmake/library.cmake +++ b/lib/renderer/bench/cmake/library.cmake @@ -1,3 +1,4 @@ +include ("${CMAKE_CURRENT_LIST_DIR}/copy_data.cmake") set(_VTX_RENDERER_BENCH_VENDOR_DIR "${CMAKE_CURRENT_LIST_DIR}/../vendor") set(SOURCES "") # There is currently 2 vendor type of files : those that are statically bound to the project tree (imnodes) referred here as VENDOR_STATIC @@ -14,14 +15,14 @@ configure_target(vtx_renderer_bench) if(NOT DEFINED _VTX_RENDERER_BENCH_CONAN) target_include_directories(vtx_renderer_bench PRIVATE "${_VTX_RENDERER_BENCH_VENDOR_DIR}" ./vendor) - target_link_libraries(vtx_renderer_bench PUBLIC vtx_util) - target_link_libraries(vtx_renderer_bench PUBLIC vtx_renderer) - target_link_libraries(vtx_renderer_bench PUBLIC vtx_core) - target_link_libraries(vtx_renderer_bench PUBLIC vtx_io) - target_link_libraries(vtx_renderer_bench PUBLIC SDL2::SDL2-static) - target_link_libraries(vtx_renderer_bench PUBLIC SDL2::SDL2main) - target_link_libraries(vtx_renderer_bench PUBLIC imgui::imgui) - target_link_libraries(vtx_renderer_bench PUBLIC stb::stb) + target_link_libraries(vtx_renderer_bench PRIVATE vtx_util) + target_link_libraries(vtx_renderer_bench PRIVATE vtx_renderer) + target_link_libraries(vtx_renderer_bench PRIVATE vtx_core) + target_link_libraries(vtx_renderer_bench PRIVATE vtx_io) + target_link_libraries(vtx_renderer_bench PRIVATE SDL2::SDL2-static) + target_link_libraries(vtx_renderer_bench PRIVATE SDL2::SDL2main) + target_link_libraries(vtx_renderer_bench PRIVATE imgui::imgui) + target_link_libraries(vtx_renderer_bench PRIVATE stb::stb) #target_link_libraries(vtx_renderer_bench PRIVATE assimp::assimp) else() target_include_directories(vtx_renderer_bench PRIVATE vendor) diff --git a/lib/renderer/bench/data/1aga.pdb b/lib/renderer/bench/data/1aga.pdb new file mode 100644 index 000000000..b95149790 --- /dev/null +++ b/lib/renderer/bench/data/1aga.pdb @@ -0,0 +1,504 @@ +HEADER TEXTURE OF CONNECTIVE TISSUE 23-MAY-78 1AGA +TITLE THE AGAROSE DOUBLE HELIX AND ITS FUNCTION IN AGAROSE GEL STRUCTURE +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: BETA-D-GALACTOPYRANOSE-(1-4)-3,6-ANHYDRO-ALPHA-L- +COMPND 3 GALACTOPYRANOSE-(1-3)-BETA-D-GALACTOPYRANOSE-(1-4)-3,6-ANHYDRO-ALPHA- +COMPND 4 L-GALACTOPYRANOSE-(1-3)-BETA-D-GALACTOPYRANOSE-(1-4)-3,6-ANHYDRO- +COMPND 5 ALPHA-L-GALACTOPYRANOSE; +COMPND 6 CHAIN: A, B; +COMPND 7 ENGINEERED: YES +SOURCE MOL_ID: 1 +KEYWDS TEXTURE OF CONNECTIVE TISSUE +EXPDTA FIBER DIFFRACTION +AUTHOR S.ARNOTT +REVDAT 7 29-JUL-20 1AGA 1 COMPND REMARK DBREF HETNAM +REVDAT 7 2 1 LINK ATOM +REVDAT 6 25-AUG-09 1AGA 1 SOURCE +REVDAT 5 24-FEB-09 1AGA 1 VERSN +REVDAT 4 01-APR-03 1AGA 1 JRNL +REVDAT 3 15-OCT-94 1AGA 3 EXPDTA CRYST1 SCALE +REVDAT 2 30-SEP-83 1AGA 1 REVDAT +REVDAT 1 28-MAR-80 1AGA 0 +JRNL AUTH S.ARNOTT,A.FULMER,W.E.SCOTT,I.C.DEA,R.MOORHOUSE,D.A.REES +JRNL TITL THE AGAROSE DOUBLE HELIX AND ITS FUNCTION IN AGAROSE GEL +JRNL TITL 2 STRUCTURE. +JRNL REF J.MOL.BIOL. V. 90 269 1974 +JRNL REFN ISSN 0022-2836 +JRNL PMID 4453017 +JRNL DOI 10.1016/0022-2836(74)90372-6 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH S.ARNOTT,W.E.SCOTT +REMARK 1 TITL ACCURATE X-RAY DIFFRACTION ANALYSIS OF FIBROUS +REMARK 1 TITL 2 POLYSACCHARIDES CONTAINING PYRANOSE RINGS. PART 1. THE +REMARK 1 TITL 3 LINKED-ATOM APPROACH. +REMARK 1 REF J.CHEM.SOC.,PERKIN TRANS.2 324 1972 +REMARK 1 REFN ISSN 0300-9580 +REMARK 2 +REMARK 2 RESOLUTION. 3.00 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : A LINKED-ATOM LEAST-SQUARES MODEL-BUILDING PROCEDURE +REMARK 3 AUTHORS : NULL +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.00 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : NULL +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) : NULL +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 : 0 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 126 +REMARK 3 SOLVENT ATOMS : 0 +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) : NULL +REMARK 3 BOND ANGLES (DEGREES) : NULL +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: +REMARK 3 THE TWELVE-RESIDUE CHAIN SEGMENT GIVEN HERE WAS GENERATED +REMARK 3 FROM THE PUBLISHED TWO-RESIDUE SEGMENT BY APPLICATION OF +REMARK 3 THE CYLINDRICAL-POLAR COORDINATE TRANSFORMATIONS GIVEN IN +REMARK 3 THE *JRNL* REFERENCE. THESE WERE CONVERTED TO CARTESIAN +REMARK 3 COORDINATES IN THE NORMAL WAY AND THEN TRANSFORMED FROM +REMARK 3 PICOMETERS TO ANGSTROMS BY APPLICATION OF THE INVERSE OF +REMARK 3 THE *ORIGX* TRANSFORMATION GIVEN BELOW. +REMARK 4 +REMARK 4 1AGA 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_1000170779. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : FIBER DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : NULL +REMARK 200 RADIATION SOURCE : NULL +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL +REMARK 200 WAVELENGTH OR RANGE (A) : NULL +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 : NULL +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL +REMARK 200 RESOLUTION RANGE HIGH (A) : NULL +REMARK 200 RESOLUTION RANGE LOW (A) : NULL +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : NULL +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +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: NULL +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 205 +REMARK 205 FIBER DIFFRACTION +REMARK 205 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM FIBER +REMARK 205 DIFFRACTION DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE +REMARK 205 THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE +REMARK 205 VALUES ON THESE RECORDS ARE MEANINGLESS. +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: UNKNOWN +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 610 +REMARK 610 MISSING HETEROATOM +REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 610 I=INSERTION CODE): +REMARK 610 M RES C SSEQI +REMARK 610 AAL A 1 +REMARK 610 AAL B 1 +HET AAL A 1 10 +HET GAL A 2 11 +HET AAL A 3 10 +HET GAL A 4 11 +HET AAL A 5 10 +HET GAL A 6 11 +HET AAL B 1 10 +HET GAL B 2 11 +HET AAL B 3 10 +HET GAL B 4 11 +HET AAL B 5 10 +HET GAL B 6 11 +HETNAM AAL 3,6-ANHYDRO-ALPHA-L-GALACTOPYRANOSE +HETNAM GAL BETA-D-GALACTOPYRANOSE +FORMUL 1 AAL 6(C6 H10 O5) +FORMUL 1 GAL 6(C6 H12 O6) +LINK O4 AAL A 1 C1 GAL A 2 1555 1555 1.39 +LINK O3 GAL A 2 C1 AAL A 3 1555 1555 1.38 +LINK O4 AAL A 3 C1 GAL A 4 1555 1555 1.39 +LINK O3 GAL A 4 C1 AAL A 5 1555 1555 1.38 +LINK O4 AAL A 5 C1 GAL A 6 1555 1555 1.39 +LINK O4 AAL B 1 C1 GAL B 2 1555 1555 1.39 +LINK O3 GAL B 2 C1 AAL B 3 1555 1555 1.38 +LINK O4 AAL B 3 C1 GAL B 4 1555 1555 1.39 +LINK O3 GAL B 4 C1 AAL B 5 1555 1555 1.38 +LINK O4 AAL B 5 C1 GAL B 6 1555 1555 1.39 +CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 +ORIGX1 0.100000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 0.100000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 0.100000 0.00000 +SCALE1 1.000000 0.000000 0.000000 0.00000 +SCALE2 0.000000 1.000000 0.000000 0.00000 +SCALE3 0.000000 0.000000 1.000000 0.00000 +HETATM 1 C1 AAL A 1 3.219 -0.637 19.462 1.00 0.00 C +HETATM 2 C2 AAL A 1 4.519 0.024 18.980 1.00 0.00 C +HETATM 3 C3 AAL A 1 4.163 1.425 18.481 1.00 0.00 C +HETATM 4 C4 AAL A 1 3.190 1.341 17.330 1.00 0.00 C +HETATM 5 C5 AAL A 1 1.962 0.991 18.165 1.00 0.00 C +HETATM 6 C6 AAL A 1 2.093 1.952 19.331 1.00 0.00 C +HETATM 7 O2 AAL A 1 5.119 -0.701 17.908 1.00 0.00 O +HETATM 8 O3 AAL A 1 3.517 2.147 19.514 1.00 0.00 O +HETATM 9 O4 AAL A 1 2.970 2.609 16.719 1.00 0.00 O +HETATM 10 O5 AAL A 1 2.107 -0.398 18.564 1.00 0.00 O +HETATM 11 C1 GAL A 2 2.847 2.618 15.335 1.00 0.00 C +HETATM 12 C2 GAL A 2 1.457 3.124 14.979 1.00 0.00 C +HETATM 13 C3 GAL A 2 1.316 3.291 13.473 1.00 0.00 C +HETATM 14 C4 GAL A 2 2.447 4.155 12.931 1.00 0.00 C +HETATM 15 C5 GAL A 2 3.795 3.614 13.394 1.00 0.00 C +HETATM 16 C6 GAL A 2 4.956 4.494 12.982 1.00 0.00 C +HETATM 17 O2 GAL A 2 0.483 2.217 15.479 1.00 0.00 O +HETATM 18 O3 GAL A 2 0.021 3.962 13.166 1.00 0.00 O +HETATM 19 O4 GAL A 2 2.311 5.497 13.395 1.00 0.00 O +HETATM 20 O5 GAL A 2 3.830 3.522 14.827 1.00 0.00 O +HETATM 21 O6 GAL A 2 5.150 4.461 11.576 1.00 0.00 O +HETATM 22 C1 AAL A 3 -1.057 3.106 13.132 1.00 0.00 C +HETATM 23 C2 AAL A 3 -2.280 3.902 12.650 1.00 0.00 C +HETATM 24 C3 AAL A 3 -3.316 2.893 12.151 1.00 0.00 C +HETATM 25 C4 AAL A 3 -2.756 2.092 11.000 1.00 0.00 C +HETATM 26 C5 AAL A 3 -1.839 1.204 11.835 1.00 0.00 C +HETATM 27 C6 AAL A 3 -2.737 0.837 13.001 1.00 0.00 C +HETATM 28 O2 AAL A 3 -1.952 4.784 11.578 1.00 0.00 O +HETATM 29 O3 AAL A 3 -3.617 1.972 13.184 1.00 0.00 O +HETATM 30 O4 AAL A 3 -3.744 1.267 10.389 1.00 0.00 O +HETATM 31 O5 AAL A 3 -0.709 2.024 12.234 1.00 0.00 O +HETATM 32 C1 GAL A 4 -3.690 1.156 9.005 1.00 0.00 C +HETATM 33 C2 GAL A 4 -3.434 -0.300 8.649 1.00 0.00 C +HETATM 34 C3 GAL A 4 -3.508 -0.506 7.143 1.00 0.00 C +HETATM 35 C4 GAL A 4 -4.822 0.042 6.601 1.00 0.00 C +HETATM 36 C5 GAL A 4 -5.027 1.480 7.064 1.00 0.00 C +HETATM 37 C6 GAL A 4 -6.370 2.045 6.652 1.00 0.00 C +HETATM 38 O2 GAL A 4 -2.162 -0.690 9.149 1.00 0.00 O +HETATM 39 O3 GAL A 4 -3.442 -1.963 6.836 1.00 0.00 O +HETATM 40 O4 GAL A 4 -5.916 -0.747 7.065 1.00 0.00 O +HETATM 41 O5 GAL A 4 -4.965 1.556 8.497 1.00 0.00 O +HETATM 42 O6 GAL A 4 -6.439 2.230 5.246 1.00 0.00 O +HETATM 43 C1 AAL A 5 -2.161 -2.469 6.802 1.00 0.00 C +HETATM 44 C2 AAL A 5 -2.239 -3.925 6.320 1.00 0.00 C +HETATM 45 C3 AAL A 5 -0.847 -4.318 5.821 1.00 0.00 C +HETATM 46 C4 AAL A 5 -0.434 -3.433 4.670 1.00 0.00 C +HETATM 47 C5 AAL A 5 -0.123 -2.195 5.505 1.00 0.00 C +HETATM 48 C6 AAL A 5 0.644 -2.789 6.671 1.00 0.00 C +HETATM 49 O2 AAL A 5 -3.167 -4.083 5.248 1.00 0.00 O +HETATM 50 O3 AAL A 5 0.101 -4.119 6.854 1.00 0.00 O +HETATM 51 O4 AAL A 5 0.775 -3.876 4.059 1.00 0.00 O +HETATM 52 O5 AAL A 5 -1.398 -1.625 5.904 1.00 0.00 O +HETATM 53 C1 GAL A 6 0.844 -3.774 2.675 1.00 0.00 C +HETATM 54 C2 GAL A 6 1.977 -2.824 2.319 1.00 0.00 C +HETATM 55 C3 GAL A 6 2.192 -2.785 0.813 1.00 0.00 C +HETATM 56 C4 GAL A 6 2.375 -4.197 0.271 1.00 0.00 C +HETATM 57 C5 GAL A 6 1.232 -5.093 0.734 1.00 0.00 C +HETATM 58 C6 GAL A 6 1.414 -6.539 0.322 1.00 0.00 C +HETATM 59 O2 GAL A 6 1.678 -1.527 2.819 1.00 0.00 O +HETATM 60 O3 GAL A 6 3.421 -1.999 0.496 1.00 0.00 O +HETATM 61 O4 GAL A 6 3.605 -4.750 0.735 1.00 0.00 O +HETATM 62 O5 GAL A 6 1.135 -5.078 2.167 1.00 0.00 O +HETATM 63 O6 GAL A 6 1.289 -6.691 -1.084 1.00 0.00 O +HETATM 64 C1 AAL B 1 -1.057 3.106 22.602 1.00 0.00 C +HETATM 65 C2 AAL B 1 -2.280 3.902 22.120 1.00 0.00 C +HETATM 66 C3 AAL B 1 -3.316 2.893 21.621 1.00 0.00 C +HETATM 67 C4 AAL B 1 -2.756 2.092 20.470 1.00 0.00 C +HETATM 68 C5 AAL B 1 -1.839 1.204 21.305 1.00 0.00 C +HETATM 69 C6 AAL B 1 -2.737 0.837 22.471 1.00 0.00 C +HETATM 70 O2 AAL B 1 -1.952 4.784 21.048 1.00 0.00 O +HETATM 71 O3 AAL B 1 -3.617 1.972 22.654 1.00 0.00 O +HETATM 72 O4 AAL B 1 -3.744 1.267 19.859 1.00 0.00 O +HETATM 73 O5 AAL B 1 -0.709 2.024 21.704 1.00 0.00 O +HETATM 74 C1 GAL B 2 -3.690 1.156 18.475 1.00 0.00 C +HETATM 75 C2 GAL B 2 -3.434 -0.300 18.119 1.00 0.00 C +HETATM 76 C3 GAL B 2 -3.508 -0.506 16.613 1.00 0.00 C +HETATM 77 C4 GAL B 2 -4.822 0.042 16.071 1.00 0.00 C +HETATM 78 C5 GAL B 2 -5.027 1.480 16.534 1.00 0.00 C +HETATM 79 C6 GAL B 2 -6.370 2.045 16.122 1.00 0.00 C +HETATM 80 O2 GAL B 2 -2.162 -0.690 18.619 1.00 0.00 O +HETATM 81 O3 GAL B 2 -3.442 -1.963 16.336 1.00 0.00 O +HETATM 82 O4 GAL B 2 -5.916 -0.747 16.535 1.00 0.00 O +HETATM 83 O5 GAL B 2 -4.965 1.556 17.967 1.00 0.00 O +HETATM 84 O6 GAL B 2 -6.439 2.230 14.716 1.00 0.00 O +HETATM 85 C1 AAL B 3 -2.161 -2.469 16.302 1.00 0.00 C +HETATM 86 C2 AAL B 3 -2.239 -3.925 15.820 1.00 0.00 C +HETATM 87 C3 AAL B 3 -0.847 -4.318 15.321 1.00 0.00 C +HETATM 88 C4 AAL B 3 -0.434 -3.433 14.170 1.00 0.00 C +HETATM 89 C5 AAL B 3 -0.123 -2.195 15.005 1.00 0.00 C +HETATM 90 C6 AAL B 3 0.644 -2.789 16.171 1.00 0.00 C +HETATM 91 O2 AAL B 3 -3.167 -4.083 14.748 1.00 0.00 O +HETATM 92 O3 AAL B 3 0.101 -4.119 16.354 1.00 0.00 O +HETATM 93 O4 AAL B 3 0.775 -3.876 13.559 1.00 0.00 O +HETATM 94 O5 AAL B 3 -1.398 -1.625 15.404 1.00 0.00 O +HETATM 95 C1 GAL B 4 0.844 -3.774 12.175 1.00 0.00 C +HETATM 96 C2 GAL B 4 1.977 -2.824 11.819 1.00 0.00 C +HETATM 97 C3 GAL B 4 2.192 -2.785 10.313 1.00 0.00 C +HETATM 98 C4 GAL B 4 2.375 -4.197 9.771 1.00 0.00 C +HETATM 99 C5 GAL B 4 1.232 -5.093 10.234 1.00 0.00 C +HETATM 100 C6 GAL B 4 1.414 -6.539 9.822 1.00 0.00 C +HETATM 101 O2 GAL B 4 1.678 -1.527 12.319 1.00 0.00 O +HETATM 102 O3 GAL B 4 3.421 -1.999 10.036 1.00 0.00 O +HETATM 103 O4 GAL B 4 3.605 -4.750 10.235 1.00 0.00 O +HETATM 104 O5 GAL B 4 1.135 -5.078 11.667 1.00 0.00 O +HETATM 105 O6 GAL B 4 1.289 -6.691 8.416 1.00 0.00 O +HETATM 106 C1 AAL B 5 3.219 -0.637 10.002 1.00 0.00 C +HETATM 107 C2 AAL B 5 4.519 0.024 9.520 1.00 0.00 C +HETATM 108 C3 AAL B 5 4.163 1.425 9.021 1.00 0.00 C +HETATM 109 C4 AAL B 5 3.190 1.341 7.870 1.00 0.00 C +HETATM 110 C5 AAL B 5 1.962 0.991 8.705 1.00 0.00 C +HETATM 111 C6 AAL B 5 2.093 1.952 9.871 1.00 0.00 C +HETATM 112 O2 AAL B 5 5.119 -0.701 8.448 1.00 0.00 O +HETATM 113 O3 AAL B 5 3.517 2.147 10.054 1.00 0.00 O +HETATM 114 O4 AAL B 5 2.970 2.609 7.259 1.00 0.00 O +HETATM 115 O5 AAL B 5 2.107 -0.398 9.104 1.00 0.00 O +HETATM 116 C1 GAL B 6 2.847 2.618 5.875 1.00 0.00 C +HETATM 117 C2 GAL B 6 1.457 3.124 5.519 1.00 0.00 C +HETATM 118 C3 GAL B 6 1.316 3.291 4.013 1.00 0.00 C +HETATM 119 C4 GAL B 6 2.447 4.155 3.471 1.00 0.00 C +HETATM 120 C5 GAL B 6 3.795 3.614 3.934 1.00 0.00 C +HETATM 121 C6 GAL B 6 4.956 4.494 3.522 1.00 0.00 C +HETATM 122 O2 GAL B 6 0.483 2.217 6.019 1.00 0.00 O +HETATM 123 O3 GAL B 6 0.021 3.962 3.636 1.00 0.00 O +HETATM 124 O4 GAL B 6 2.311 5.497 3.935 1.00 0.00 O +HETATM 125 O5 GAL B 6 3.830 3.522 5.367 1.00 0.00 O +HETATM 126 O6 GAL B 6 5.150 4.461 2.116 1.00 0.00 O +CONECT 1 2 10 +CONECT 2 1 3 7 +CONECT 3 2 4 8 +CONECT 4 3 5 9 +CONECT 5 4 6 10 +CONECT 6 5 8 +CONECT 7 2 +CONECT 8 3 6 +CONECT 9 4 11 +CONECT 10 1 5 +CONECT 11 9 12 20 +CONECT 12 11 13 17 +CONECT 13 12 14 18 +CONECT 14 13 15 19 +CONECT 15 14 16 20 +CONECT 16 15 21 +CONECT 17 12 +CONECT 18 13 22 +CONECT 19 14 +CONECT 20 11 15 +CONECT 21 16 +CONECT 22 18 23 31 +CONECT 23 22 24 28 +CONECT 24 23 25 29 +CONECT 25 24 26 30 +CONECT 26 25 27 31 +CONECT 27 26 29 +CONECT 28 23 +CONECT 29 24 27 +CONECT 30 25 32 +CONECT 31 22 26 +CONECT 32 30 33 41 +CONECT 33 32 34 38 +CONECT 34 33 35 39 +CONECT 35 34 36 40 +CONECT 36 35 37 41 +CONECT 37 36 42 +CONECT 38 33 +CONECT 39 34 43 +CONECT 40 35 +CONECT 41 32 36 +CONECT 42 37 +CONECT 43 39 44 52 +CONECT 44 43 45 49 +CONECT 45 44 46 50 +CONECT 46 45 47 51 +CONECT 47 46 48 52 +CONECT 48 47 50 +CONECT 49 44 +CONECT 50 45 48 +CONECT 51 46 53 +CONECT 52 43 47 +CONECT 53 51 54 62 +CONECT 54 53 55 59 +CONECT 55 54 56 60 +CONECT 56 55 57 61 +CONECT 57 56 58 62 +CONECT 58 57 63 +CONECT 59 54 +CONECT 60 55 +CONECT 61 56 +CONECT 62 53 57 +CONECT 63 58 +CONECT 64 65 73 +CONECT 65 64 66 70 +CONECT 66 65 67 71 +CONECT 67 66 68 72 +CONECT 68 67 69 73 +CONECT 69 68 71 +CONECT 70 65 +CONECT 71 66 69 +CONECT 72 67 74 +CONECT 73 64 68 +CONECT 74 72 75 83 +CONECT 75 74 76 80 +CONECT 76 75 77 81 +CONECT 77 76 78 82 +CONECT 78 77 79 83 +CONECT 79 78 84 +CONECT 80 75 +CONECT 81 76 85 +CONECT 82 77 +CONECT 83 74 78 +CONECT 84 79 +CONECT 85 81 86 94 +CONECT 86 85 87 91 +CONECT 87 86 88 92 +CONECT 88 87 89 93 +CONECT 89 88 90 94 +CONECT 90 89 92 +CONECT 91 86 +CONECT 92 87 90 +CONECT 93 88 95 +CONECT 94 85 89 +CONECT 95 93 96 104 +CONECT 96 95 97 101 +CONECT 97 96 98 102 +CONECT 98 97 99 103 +CONECT 99 98 100 104 +CONECT 100 99 105 +CONECT 101 96 +CONECT 102 97 106 +CONECT 103 98 +CONECT 104 95 99 +CONECT 105 100 +CONECT 106 102 107 115 +CONECT 107 106 108 112 +CONECT 108 107 109 113 +CONECT 109 108 110 114 +CONECT 110 109 111 115 +CONECT 111 110 113 +CONECT 112 107 +CONECT 113 108 111 +CONECT 114 109 116 +CONECT 115 106 110 +CONECT 116 114 117 125 +CONECT 117 116 118 122 +CONECT 118 117 119 123 +CONECT 119 118 120 124 +CONECT 120 119 121 125 +CONECT 121 120 126 +CONECT 122 117 +CONECT 123 118 +CONECT 124 119 +CONECT 125 116 120 +CONECT 126 121 +MASTER 189 0 12 0 0 0 0 6 126 0 126 0 +END diff --git a/lib/renderer/bench/data/4hhb.pdb b/lib/renderer/bench/data/4hhb.pdb new file mode 100644 index 000000000..e481a4e01 --- /dev/null +++ b/lib/renderer/bench/data/4hhb.pdb @@ -0,0 +1,5904 @@ +HEADER OXYGEN TRANSPORT 07-MAR-84 4HHB +TITLE THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 ANGSTROMS +TITLE 2 RESOLUTION +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: HEMOGLOBIN (DEOXY) (ALPHA CHAIN); +COMPND 3 CHAIN: A, C; +COMPND 4 ENGINEERED: YES; +COMPND 5 MOL_ID: 2; +COMPND 6 MOLECULE: HEMOGLOBIN (DEOXY) (BETA CHAIN); +COMPND 7 CHAIN: B, D; +COMPND 8 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 MOL_ID: 2; +SOURCE 6 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 7 ORGANISM_COMMON: HUMAN; +SOURCE 8 ORGANISM_TAXID: 9606 +KEYWDS OXYGEN TRANSPORT +EXPDTA X-RAY DIFFRACTION +AUTHOR G.FERMI,M.F.PERUTZ +REVDAT 5 13-JUL-11 4HHB 1 VERSN +REVDAT 4 24-FEB-09 4HHB 1 VERSN +REVDAT 3 01-APR-03 4HHB 1 JRNL +REVDAT 2 15-OCT-89 4HHB 3 MTRIX +REVDAT 1 17-JUL-84 4HHB 0 +SPRSDE 17-JUL-84 4HHB 1HHB +JRNL AUTH G.FERMI,M.F.PERUTZ,B.SHAANAN,R.FOURME +JRNL TITL THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 A +JRNL TITL 2 RESOLUTION +JRNL REF J.MOL.BIOL. V. 175 159 1984 +JRNL REFN ISSN 0022-2836 +JRNL PMID 6726807 +JRNL DOI 10.1016/0022-2836(84)90472-8 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH M.F.PERUTZ,S.S.HASNAIN,P.J.DUKE,J.L.SESSLER,J.E.HAHN +REMARK 1 TITL STEREOCHEMISTRY OF IRON IN DEOXYHAEMOGLOBIN +REMARK 1 REF NATURE V. 295 535 1982 +REMARK 1 REFN ISSN 0028-0836 +REMARK 1 REFERENCE 2 +REMARK 1 AUTH G.FERMI,M.F.PERUTZ +REMARK 1 REF HAEMOGLOBIN AND MYOGLOBIN. V. 2 1981 +REMARK 1 REF 2 ATLAS OF MOLECULAR +REMARK 1 REF 3 STRUCTURES IN BIOLOGY +REMARK 1 PUBL OXFORD UNIVERSITY PRESS +REMARK 1 REFN +REMARK 1 REFERENCE 3 +REMARK 1 AUTH M.F.PERUTZ +REMARK 1 TITL REGULATION OF OXYGEN AFFINITY OF HEMOGLOBIN. INFLUENCE OF +REMARK 1 TITL 2 STRUCTURE OF THE GLOBIN ON THE HEME IRON +REMARK 1 REF ANNU.REV.BIOCHEM. V. 48 327 1979 +REMARK 1 REFN ISSN 0066-4154 +REMARK 1 REFERENCE 4 +REMARK 1 AUTH L.F.TENEYCK,A.ARNONE +REMARK 1 TITL THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN DEOXYHEMOGLOBIN +REMARK 1 TITL 2 AT 2.5 ANGSTROMS RESOLUTION, I.X-RAY ANALYSIS +REMARK 1 REF J.MOL.BIOL. V. 100 3 1976 +REMARK 1 REFN ISSN 0022-2836 +REMARK 1 REFERENCE 5 +REMARK 1 AUTH G.FERMI +REMARK 1 TITL THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN +REMARK 1 TITL 2 DEOXYHAEMOGLOBIN AT 2.5 ANGSTROMS RESOLUTION, REFINEMENT OF +REMARK 1 TITL 3 THE ATOMIC MODEL +REMARK 1 REF J.MOL.BIOL. V. 97 237 1975 +REMARK 1 REFN ISSN 0022-2836 +REMARK 1 REFERENCE 6 +REMARK 1 AUTH H.MUIRHEAD,J.GREER +REMARK 1 TITL THREE-DIMENSIONAL FOURIER SYNTHESIS OF HUMAN +REMARK 1 TITL 2 DEOXYHAEMOGLOBIN AT 3.5 ANGSTROMS RESOLUTION +REMARK 1 REF NATURE V. 228 516 1970 +REMARK 1 REFN ISSN 0028-0836 +REMARK 1 REFERENCE 7 +REMARK 1 EDIT M.O.DAYHOFF +REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 56 1972 +REMARK 1 REF 2 AND STRUCTURE (DATA SECTION) +REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER SPRING,MD. +REMARK 1 REFN +REMARK 1 REFERENCE 8 +REMARK 1 EDIT M.O.DAYHOFF +REMARK 1 REF ATLAS OF PROTEIN SEQUENCE V. 5 64 1972 +REMARK 1 REF 2 AND STRUCTURE (DATA SECTION) +REMARK 1 PUBL NATIONAL BIOMEDICAL RESEARCH FOUNDATION, SILVER SPRING,MD. +REMARK 1 REFN +REMARK 2 +REMARK 2 RESOLUTION. 1.74 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : NULL +REMARK 3 AUTHORS : NULL +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.74 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 NUMBER OF REFLECTIONS : NULL +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) : 0.135 +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 : 4384 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 174 +REMARK 3 SOLVENT ATOMS : 221 +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) : NULL +REMARK 3 BOND ANGLES (DEGREES) : NULL +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: +REMARK 3 THE COORDINATES GIVEN HERE ARE IN THE ORTHOGONAL ANGSTROM +REMARK 3 SYSTEM STANDARD FOR HEMOGLOBINS. THE Y AXIS IS THE +REMARK 3 (NON CRYSTALLOGRAPHIC) MOLECULAR DIAD AND THE X AXIS IS THE +REMARK 3 PSEUDO DIAD WHICH RELATES THE ALPHA-1 AND BETA-1 CHAINS. +REMARK 3 THE TRANSFORMATION GIVEN IN THE *MTRIX* RECORDS BELOW +REMARK 3 WILL GENERATE COORDINATES FOR THE *C* AND *D* CHAINS FROM +REMARK 3 THE *A* AND *B* CHAINS RESPECTIVELY. +REMARK 4 +REMARK 4 4HHB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : NULL +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : NULL +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : NULL +REMARK 200 RADIATION SOURCE : NULL +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL +REMARK 200 WAVELENGTH OR RANGE (A) : NULL +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 : NULL +REMARK 200 DATA SCALING SOFTWARE : NULL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL +REMARK 200 RESOLUTION RANGE HIGH (A) : NULL +REMARK 200 RESOLUTION RANGE LOW (A) : NULL +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : NULL +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +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: NULL +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 45.48 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.26 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: NULL +REMARK 285 +REMARK 285 THE ENTRY COORDINATES +REMARK 285 ARE NOT PRESENTED IN THE STANDARD CRYSTAL FRAME. +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 -0.949456 -0.312801 -0.025883 -6.64347 +REMARK 290 SMTRY2 2 -0.312858 0.936202 0.160212 41.12228 +REMARK 290 SMTRY3 2 -0.025884 0.160188 -0.986745 3.40218 +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: TETRAMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 11630 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 24010 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -98.0 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 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 C VAL B 1 CA HIS B 2 1.63 +REMARK 500 C PHE D 45 CA GLY D 46 1.78 +REMARK 500 CB THR D 4 OE2 GLU D 6 2.00 +REMARK 500 NZ LYS D 66 O1A HEM D 148 2.06 +REMARK 500 OD2 ASP D 73 O HOH D 174 2.10 +REMARK 500 OG1 THR D 4 OE2 GLU D 6 2.19 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 OD2 ASP C 85 O HOH B 204 2657 1.41 +REMARK 500 O HOH B 204 O HOH C 161 2647 2.02 +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 VAL A 1 N VAL A 1 CA -0.295 +REMARK 500 VAL A 1 CA VAL A 1 CB 0.299 +REMARK 500 VAL A 1 CB VAL A 1 CG1 -0.206 +REMARK 500 VAL A 1 CB VAL A 1 CG2 -0.283 +REMARK 500 LEU A 2 CA LEU A 2 C 0.249 +REMARK 500 SER A 3 N SER A 3 CA 0.167 +REMARK 500 SER A 3 CB SER A 3 OG -0.132 +REMARK 500 LEU A 2 C SER A 3 N -0.320 +REMARK 500 PRO A 4 N PRO A 4 CA -0.149 +REMARK 500 PRO A 4 CA PRO A 4 CB 0.202 +REMARK 500 SER A 3 C PRO A 4 N 0.282 +REMARK 500 ALA A 5 N ALA A 5 CA -0.130 +REMARK 500 ALA A 5 CA ALA A 5 CB 0.247 +REMARK 500 PRO A 4 C ALA A 5 N 0.257 +REMARK 500 LYS A 7 N LYS A 7 CA 0.157 +REMARK 500 THR A 8 CA THR A 8 CB 0.178 +REMARK 500 THR A 8 CB THR A 8 OG1 -0.173 +REMARK 500 THR A 8 CB THR A 8 CG2 -0.245 +REMARK 500 THR A 8 CA THR A 8 C -0.174 +REMARK 500 LYS A 7 C THR A 8 N 0.258 +REMARK 500 THR A 8 C ASN A 9 N 0.179 +REMARK 500 VAL A 10 CB VAL A 10 CG2 -0.179 +REMARK 500 VAL A 10 CA VAL A 10 C 0.160 +REMARK 500 LYS A 11 N LYS A 11 CA 0.131 +REMARK 500 LYS A 11 CA LYS A 11 CB -0.137 +REMARK 500 LYS A 11 CB LYS A 11 CG -0.196 +REMARK 500 LYS A 11 CG LYS A 11 CD -0.206 +REMARK 500 LYS A 11 CD LYS A 11 CE 0.454 +REMARK 500 ALA A 12 N ALA A 12 CA -0.133 +REMARK 500 ALA A 12 C ALA A 12 O 0.225 +REMARK 500 ALA A 13 CA ALA A 13 C 0.201 +REMARK 500 TRP A 14 CA TRP A 14 CB 0.291 +REMARK 500 TRP A 14 CB TRP A 14 CG -0.274 +REMARK 500 TRP A 14 CG TRP A 14 CD1 0.306 +REMARK 500 TRP A 14 CD1 TRP A 14 NE1 0.158 +REMARK 500 TRP A 14 NE1 TRP A 14 CE2 -0.234 +REMARK 500 TRP A 14 CE2 TRP A 14 CZ2 -0.243 +REMARK 500 TRP A 14 CE2 TRP A 14 CD2 0.221 +REMARK 500 TRP A 14 CH2 TRP A 14 CZ2 -0.217 +REMARK 500 GLY A 15 CA GLY A 15 C 0.182 +REMARK 500 GLY A 15 C GLY A 15 O 0.437 +REMARK 500 LYS A 16 CB LYS A 16 CG 0.164 +REMARK 500 LYS A 16 CG LYS A 16 CD 0.488 +REMARK 500 LYS A 16 CD LYS A 16 CE 0.410 +REMARK 500 LYS A 16 C LYS A 16 O -0.149 +REMARK 500 GLY A 15 C LYS A 16 N -0.418 +REMARK 500 VAL A 17 N VAL A 17 CA -0.191 +REMARK 500 VAL A 17 CA VAL A 17 CB -0.168 +REMARK 500 VAL A 17 CA VAL A 17 C 0.432 +REMARK 500 VAL A 17 C VAL A 17 O -0.483 +REMARK 500 +REMARK 500 THIS ENTRY HAS 1271 BOND DEVIATIONS. +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 VAL A 1 CG1 - CB - CG2 ANGL. DEV. = 27.5 DEGREES +REMARK 500 VAL A 1 CA - CB - CG2 ANGL. DEV. = -25.9 DEGREES +REMARK 500 LEU A 2 N - CA - CB ANGL. DEV. = -17.9 DEGREES +REMARK 500 LEU A 2 CB - CG - CD1 ANGL. DEV. = 13.0 DEGREES +REMARK 500 LEU A 2 CA - C - O ANGL. DEV. = -21.8 DEGREES +REMARK 500 VAL A 1 CA - C - N ANGL. DEV. = -13.3 DEGREES +REMARK 500 VAL A 1 O - C - N ANGL. DEV. = 12.7 DEGREES +REMARK 500 LEU A 2 C - N - CA ANGL. DEV. = -20.6 DEGREES +REMARK 500 SER A 3 N - CA - CB ANGL. DEV. = -9.7 DEGREES +REMARK 500 SER A 3 CA - C - O ANGL. DEV. = 15.9 DEGREES +REMARK 500 LEU A 2 O - C - N ANGL. DEV. = 30.2 DEGREES +REMARK 500 PRO A 4 CB - CA - C ANGL. DEV. = -30.7 DEGREES +REMARK 500 PRO A 4 CA - CB - CG ANGL. DEV. = -15.7 DEGREES +REMARK 500 PRO A 4 N - CD - CG ANGL. DEV. = -12.4 DEGREES +REMARK 500 SER A 3 O - C - N ANGL. DEV. = -14.6 DEGREES +REMARK 500 PRO A 4 C - N - CA ANGL. DEV. = -14.1 DEGREES +REMARK 500 PRO A 4 C - N - CD ANGL. DEV. = -18.4 DEGREES +REMARK 500 ALA A 5 CB - CA - C ANGL. DEV. = -10.8 DEGREES +REMARK 500 PRO A 4 O - C - N ANGL. DEV. = -9.9 DEGREES +REMARK 500 ASP A 6 CB - CG - OD1 ANGL. DEV. = 6.5 DEGREES +REMARK 500 ASP A 6 CB - CG - OD2 ANGL. DEV. = -8.8 DEGREES +REMARK 500 LYS A 7 N - CA - CB ANGL. DEV. = -13.5 DEGREES +REMARK 500 LYS A 7 CD - CE - NZ ANGL. DEV. = -27.4 DEGREES +REMARK 500 LYS A 7 N - CA - C ANGL. DEV. = 22.1 DEGREES +REMARK 500 ASP A 6 O - C - N ANGL. DEV. = 14.8 DEGREES +REMARK 500 LYS A 7 C - N - CA ANGL. DEV. = -20.2 DEGREES +REMARK 500 THR A 8 CA - CB - CG2 ANGL. DEV. = -10.7 DEGREES +REMARK 500 THR A 8 CA - C - O ANGL. DEV. = 21.3 DEGREES +REMARK 500 LYS A 7 CA - C - N ANGL. DEV. = -20.1 DEGREES +REMARK 500 THR A 8 C - N - CA ANGL. DEV. = -15.7 DEGREES +REMARK 500 VAL A 10 O - C - N ANGL. DEV. = 11.4 DEGREES +REMARK 500 ALA A 12 CB - CA - C ANGL. DEV. = -29.5 DEGREES +REMARK 500 ALA A 12 N - CA - CB ANGL. DEV. = -14.5 DEGREES +REMARK 500 ALA A 12 C - N - CA ANGL. DEV. = -22.9 DEGREES +REMARK 500 ALA A 12 O - C - N ANGL. DEV. = -25.9 DEGREES +REMARK 500 TRP A 14 CA - CB - CG ANGL. DEV. = -22.4 DEGREES +REMARK 500 TRP A 14 CG - CD1 - NE1 ANGL. DEV. = -13.5 DEGREES +REMARK 500 TRP A 14 CD1 - NE1 - CE2 ANGL. DEV. = 19.8 DEGREES +REMARK 500 TRP A 14 NE1 - CE2 - CZ2 ANGL. DEV. = 11.2 DEGREES +REMARK 500 TRP A 14 CH2 - CZ2 - CE2 ANGL. DEV. = 13.2 DEGREES +REMARK 500 ALA A 13 O - C - N ANGL. DEV. = 13.6 DEGREES +REMARK 500 GLY A 15 N - CA - C ANGL. DEV. = -24.3 DEGREES +REMARK 500 GLY A 15 CA - C - O ANGL. DEV. = -21.6 DEGREES +REMARK 500 GLY A 15 C - N - CA ANGL. DEV. = -19.0 DEGREES +REMARK 500 LYS A 16 N - CA - CB ANGL. DEV. = 14.8 DEGREES +REMARK 500 LYS A 16 CG - CD - CE ANGL. DEV. = -48.6 DEGREES +REMARK 500 LYS A 16 CD - CE - NZ ANGL. DEV. = 17.9 DEGREES +REMARK 500 GLY A 15 CA - C - N ANGL. DEV. = 25.6 DEGREES +REMARK 500 GLY A 15 O - C - N ANGL. DEV. = -10.0 DEGREES +REMARK 500 LYS A 16 C - N - CA ANGL. DEV. = 15.1 DEGREES +REMARK 500 +REMARK 500 THIS ENTRY HAS 1481 ANGLE DEVIATIONS. +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 SER A 3 -176.01 -60.80 +REMARK 500 LYS A 16 -55.41 -1.55 +REMARK 500 ALA A 21 -76.55 -47.40 +REMARK 500 LEU A 48 40.81 -103.90 +REMARK 500 SER A 52 150.87 -47.80 +REMARK 500 HIS A 122 -70.12 -41.02 +REMARK 500 THR B 4 -176.32 -55.07 +REMARK 500 GLU B 7 -71.39 -64.26 +REMARK 500 PHE B 45 -9.16 -52.07 +REMARK 500 ASN B 80 59.72 -142.35 +REMARK 500 TYR B 145 130.62 -35.71 +REMARK 500 SER C 3 172.94 -57.29 +REMARK 500 VAL C 17 -70.34 -65.44 +REMARK 500 LEU C 48 32.06 -92.63 +REMARK 500 ASP C 75 72.45 -151.27 +REMARK 500 LYS C 90 -77.18 -122.52 +REMARK 500 LEU C 113 71.25 -107.78 +REMARK 500 LEU D 3 -163.80 -100.24 +REMARK 500 ASN D 19 94.43 -63.05 +REMARK 500 GLN D 39 0.49 -67.48 +REMARK 500 SER D 72 -71.73 -40.75 +REMARK 500 ASP D 73 -43.09 -22.67 +REMARK 500 ALA D 76 7.73 -63.28 +REMARK 500 HIS D 77 62.58 -172.71 +REMARK 500 LEU D 78 -50.86 -25.69 +REMARK 500 ASN D 80 85.05 -167.04 +REMARK 500 HIS D 97 35.26 76.08 +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 GLY A 18 ALA A 19 -145.49 +REMARK 500 SER B 49 THR B 50 113.74 +REMARK 500 LEU D 3 THR D 4 148.65 +REMARK 500 VAL D 18 ASN D 19 148.41 +REMARK 500 LEU D 48 SER D 49 -144.37 +REMARK 500 SER D 49 THR D 50 143.57 +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 HIS A 20 0.17 SIDE CHAIN +REMARK 500 GLU A 23 0.25 SIDE CHAIN +REMARK 500 TYR A 24 0.10 SIDE CHAIN +REMARK 500 PHE A 36 0.09 SIDE CHAIN +REMARK 500 HIS A 45 0.11 SIDE CHAIN +REMARK 500 HIS A 50 0.20 SIDE CHAIN +REMARK 500 GLN A 54 0.10 SIDE CHAIN +REMARK 500 ASP A 64 0.14 SIDE CHAIN +REMARK 500 HIS A 72 0.24 SIDE CHAIN +REMARK 500 ASN A 78 0.08 SIDE CHAIN +REMARK 500 ASP A 85 0.09 SIDE CHAIN +REMARK 500 ARG A 92 0.08 SIDE CHAIN +REMARK 500 ASP A 126 0.10 SIDE CHAIN +REMARK 500 ARG A 141 0.08 SIDE CHAIN +REMARK 500 HIS B 2 0.16 SIDE CHAIN +REMARK 500 GLU B 6 0.16 SIDE CHAIN +REMARK 500 ASN B 19 0.08 SIDE CHAIN +REMARK 500 ASP B 21 0.15 SIDE CHAIN +REMARK 500 GLU B 22 0.51 SIDE CHAIN +REMARK 500 GLU B 26 0.38 SIDE CHAIN +REMARK 500 ASP B 47 0.14 SIDE CHAIN +REMARK 500 ASP B 52 0.19 SIDE CHAIN +REMARK 500 HIS B 63 0.11 SIDE CHAIN +REMARK 500 ASP B 79 0.11 SIDE CHAIN +REMARK 500 ASN B 80 0.20 SIDE CHAIN +REMARK 500 GLU B 90 0.15 SIDE CHAIN +REMARK 500 ARG B 104 0.39 SIDE CHAIN +REMARK 500 HIS B 117 0.22 SIDE CHAIN +REMARK 500 PHE B 118 0.13 SIDE CHAIN +REMARK 500 GLU B 121 0.26 SIDE CHAIN +REMARK 500 HIS B 143 0.10 SIDE CHAIN +REMARK 500 HIS B 146 0.31 SIDE CHAIN +REMARK 500 ASN C 9 0.08 SIDE CHAIN +REMARK 500 HIS C 20 0.14 SIDE CHAIN +REMARK 500 GLU C 23 0.30 SIDE CHAIN +REMARK 500 HIS C 45 0.10 SIDE CHAIN +REMARK 500 PHE C 46 0.10 SIDE CHAIN +REMARK 500 ASP C 47 0.15 SIDE CHAIN +REMARK 500 ASP C 64 0.08 SIDE CHAIN +REMARK 500 ASP C 75 0.07 SIDE CHAIN +REMARK 500 ASN C 78 0.11 SIDE CHAIN +REMARK 500 ARG C 92 0.20 SIDE CHAIN +REMARK 500 GLU C 116 0.09 SIDE CHAIN +REMARK 500 ASP C 126 0.11 SIDE CHAIN +REMARK 500 ARG C 141 0.08 SIDE CHAIN +REMARK 500 HIS D 2 0.10 SIDE CHAIN +REMARK 500 GLU D 6 0.17 SIDE CHAIN +REMARK 500 GLU D 7 0.10 SIDE CHAIN +REMARK 500 ASN D 19 0.38 SIDE CHAIN +REMARK 500 ASP D 21 0.18 SIDE CHAIN +REMARK 500 +REMARK 500 THIS ENTRY HAS 71 PLANE DEVIATIONS. +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 VAL A 1 -12.66 +REMARK 500 SER A 3 -13.96 +REMARK 500 PRO A 4 -17.06 +REMARK 500 ASN A 9 10.02 +REMARK 500 LYS A 11 -14.58 +REMARK 500 ALA A 12 -29.94 +REMARK 500 GLY A 15 25.08 +REMARK 500 ALA A 19 -16.87 +REMARK 500 ALA A 21 26.61 +REMARK 500 GLY A 22 15.67 +REMARK 500 THR A 41 10.65 +REMARK 500 PHE A 46 -10.97 +REMARK 500 LEU A 48 -25.01 +REMARK 500 SER A 52 -10.23 +REMARK 500 LYS A 56 14.67 +REMARK 500 GLY A 59 -10.71 +REMARK 500 LYS A 61 -11.09 +REMARK 500 ALA A 63 -17.65 +REMARK 500 ASP A 74 18.25 +REMARK 500 ASP A 75 -17.02 +REMARK 500 MET A 76 -10.23 +REMARK 500 ASN A 78 -10.93 +REMARK 500 SER A 81 -10.91 +REMARK 500 ALA A 82 11.29 +REMARK 500 LEU A 83 -10.53 +REMARK 500 ASP A 85 -12.19 +REMARK 500 ALA A 88 11.87 +REMARK 500 LYS A 90 -14.75 +REMARK 500 ASN A 97 -10.48 +REMARK 500 LYS A 99 -15.40 +REMARK 500 LEU A 101 -10.99 +REMARK 500 LEU A 106 -10.02 +REMARK 500 ALA A 111 10.63 +REMARK 500 PRO A 114 -12.36 +REMARK 500 THR A 118 -18.84 +REMARK 500 HIS A 122 17.52 +REMARK 500 VAL B 1 34.93 +REMARK 500 LEU B 3 14.19 +REMARK 500 THR B 4 -16.98 +REMARK 500 GLU B 7 12.85 +REMARK 500 LEU B 14 12.16 +REMARK 500 ASP B 21 -10.62 +REMARK 500 THR B 38 14.87 +REMARK 500 GLU B 43 -24.15 +REMARK 500 SER B 44 54.71 +REMARK 500 ASP B 47 16.36 +REMARK 500 SER B 49 -74.55 +REMARK 500 GLY B 56 -31.39 +REMARK 500 LYS B 59 -12.59 +REMARK 500 VAL B 60 10.98 +REMARK 500 +REMARK 500 THIS ENTRY HAS 130 MAIN CHAIN PLANARITY DEVIATIONS. +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CHIRAL CENTERS +REMARK 500 +REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL +REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY +REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR +REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE +REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) +REMARK 500 +REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS +REMARK 500 SER A 3 47.5 L L OUTSIDE RANGE +REMARK 500 LYS A 7 22.9 L L OUTSIDE RANGE +REMARK 500 LYS A 16 14.6 L L OUTSIDE RANGE +REMARK 500 VAL A 17 18.2 L L OUTSIDE RANGE +REMARK 500 ALA A 26 18.6 L L OUTSIDE RANGE +REMARK 500 PHE A 33 25.0 L L OUTSIDE RANGE +REMARK 500 SER A 49 47.6 L L OUTSIDE RANGE +REMARK 500 LYS A 56 14.8 L L OUTSIDE RANGE +REMARK 500 LYS A 60 22.7 L L OUTSIDE RANGE +REMARK 500 ALA A 71 48.3 L L OUTSIDE RANGE +REMARK 500 PRO A 77 16.7 L L OUTSIDE RANGE +REMARK 500 SER A 84 23.0 L L OUTSIDE RANGE +REMARK 500 HIS A 89 23.9 L L OUTSIDE RANGE +REMARK 500 LYS A 90 17.4 L L OUTSIDE RANGE +REMARK 500 HIS A 103 22.3 L L OUTSIDE RANGE +REMARK 500 ALA A 111 21.3 L L OUTSIDE RANGE +REMARK 500 PRO A 114 49.5 L L OUTSIDE RANGE +REMARK 500 PHE A 117 21.9 L L OUTSIDE RANGE +REMARK 500 ALA A 120 20.3 L L OUTSIDE RANGE +REMARK 500 HIS A 122 46.2 L L OUTSIDE RANGE +REMARK 500 TYR A 140 23.5 L L OUTSIDE RANGE +REMARK 500 PRO B 5 18.3 L L OUTSIDE RANGE +REMARK 500 SER B 9 13.0 L L OUTSIDE RANGE +REMARK 500 ALA B 13 23.4 L L OUTSIDE RANGE +REMARK 500 LEU B 28 16.4 L L OUTSIDE RANGE +REMARK 500 THR B 38 24.4 L L OUTSIDE RANGE +REMARK 500 GLU B 43 46.6 L L OUTSIDE RANGE +REMARK 500 ASP B 47 45.8 L L OUTSIDE RANGE +REMARK 500 SER B 49 53.4 L L OUTSIDE RANGE +REMARK 500 VAL B 60 24.9 L L OUTSIDE RANGE +REMARK 500 LYS B 65 20.6 L L OUTSIDE RANGE +REMARK 500 HIS B 77 47.6 L L OUTSIDE RANGE +REMARK 500 ASP B 79 51.3 L L OUTSIDE RANGE +REMARK 500 ASN B 80 45.3 L L OUTSIDE RANGE +REMARK 500 LYS B 82 47.0 L L OUTSIDE RANGE +REMARK 500 THR B 84 23.8 L L OUTSIDE RANGE +REMARK 500 GLU B 90 11.1 L L OUTSIDE RANGE +REMARK 500 LEU B 96 22.2 L L OUTSIDE RANGE +REMARK 500 ASP B 99 47.0 L L OUTSIDE RANGE +REMARK 500 HIS B 117 22.8 L L OUTSIDE RANGE +REMARK 500 GLN B 127 23.5 L L OUTSIDE RANGE +REMARK 500 VAL B 134 20.6 L L OUTSIDE RANGE +REMARK 500 TYR B 145 13.6 L L OUTSIDE RANGE +REMARK 500 VAL C 1 85.9 L L OUTSIDE RANGE +REMARK 500 ALA C 5 23.1 L L OUTSIDE RANGE +REMARK 500 ALA C 12 13.9 L L OUTSIDE RANGE +REMARK 500 LYS C 16 18.8 L L OUTSIDE RANGE +REMARK 500 VAL C 17 23.9 L L OUTSIDE RANGE +REMARK 500 TYR C 24 23.1 L L OUTSIDE RANGE +REMARK 500 ALA C 26 24.5 L L OUTSIDE RANGE +REMARK 500 +REMARK 500 THIS ENTRY HAS 97 CHIRALITY DEVIATIONS. +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 610 +REMARK 610 MISSING HETEROATOM +REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 610 I=INSERTION CODE): +REMARK 610 M RES C SSEQI +REMARK 610 PO4 D 147 +REMARK 610 PO4 B 147 +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 HEM A 142 FE +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS A 87 NE2 +REMARK 620 2 HEM A 142 NA 100.9 +REMARK 620 3 HEM A 142 NB 100.3 86.2 +REMARK 620 4 HEM A 142 NC 104.6 154.5 88.3 +REMARK 620 5 HEM A 142 ND 106.5 90.3 153.2 83.5 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HEM B 148 FE +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS B 92 NE2 +REMARK 620 2 HEM B 148 NA 97.7 +REMARK 620 3 HEM B 148 NB 97.1 88.7 +REMARK 620 4 HEM B 148 NC 104.0 158.3 90.0 +REMARK 620 5 HEM B 148 ND 103.6 91.0 159.1 82.6 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HEM C 142 FE +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS C 87 NE2 +REMARK 620 2 HEM C 142 NA 92.2 +REMARK 620 3 HEM C 142 NB 93.3 83.8 +REMARK 620 4 HEM C 142 NC 105.8 162.0 94.8 +REMARK 620 5 HEM C 142 ND 103.5 88.9 161.9 87.1 +REMARK 620 N 1 2 3 4 +REMARK 620 +REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +REMARK 620 HEM D 148 FE +REMARK 620 N RES CSSEQI ATOM +REMARK 620 1 HIS D 92 NE2 +REMARK 620 2 HEM D 148 NA 90.2 +REMARK 620 3 HEM D 148 NB 102.2 88.3 +REMARK 620 4 HEM D 148 NC 109.1 160.5 84.5 +REMARK 620 5 HEM D 148 ND 97.7 89.1 159.9 91.4 +REMARK 620 N 1 2 3 4 +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 D 147 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 B 147 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 142 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC4 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM B 148 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC5 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM C 142 +REMARK 800 +REMARK 800 SITE_IDENTIFIER: AC6 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM D 148 +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 2HHB RELATED DB: PDB +REMARK 900 REFINED BY THE METHOD OF JACK AND LEVITT. THIS ENTRY +REMARK 900 PRESENTS THE BEST ESTIMATE OF THE COORDINATES. +REMARK 900 RELATED ID: 3HHB RELATED DB: PDB +REMARK 900 SYMMETRY AVERAGED ABOUT THE (NON-CRYSTALLOGRAPHIC) +REMARK 900 MOLECULAR AXIS AND THEN RE-REGULARIZED BY THE ENERGY +REMARK 900 REFINEMENT METHOD OF LEVITT. THIS ENTRY PRESENTS +REMARK 900 COORDINATES THAT ARE ADEQUATE FOR MOST PURPOSES, SUCH AS +REMARK 900 COMPARISON WITH OTHER STRUCTURES. +REMARK 900 RELATED ID: 1GLI RELATED DB: PDB +DBREF 4HHB A 1 141 UNP P69905 HBA_HUMAN 1 141 +DBREF 4HHB B 1 146 UNP P68871 HBB_HUMAN 1 146 +DBREF 4HHB C 1 141 UNP P69905 HBA_HUMAN 1 141 +DBREF 4HHB D 1 146 UNP P68871 HBB_HUMAN 1 146 +SEQRES 1 A 141 VAL LEU SER PRO ALA ASP LYS THR ASN VAL LYS ALA ALA +SEQRES 2 A 141 TRP GLY LYS VAL GLY ALA HIS ALA GLY GLU TYR GLY ALA +SEQRES 3 A 141 GLU ALA LEU GLU ARG MET PHE LEU SER PHE PRO THR THR +SEQRES 4 A 141 LYS THR TYR PHE PRO HIS PHE ASP LEU SER HIS GLY SER +SEQRES 5 A 141 ALA GLN VAL LYS GLY HIS GLY LYS LYS VAL ALA ASP ALA +SEQRES 6 A 141 LEU THR ASN ALA VAL ALA HIS VAL ASP ASP MET PRO ASN +SEQRES 7 A 141 ALA LEU SER ALA LEU SER ASP LEU HIS ALA HIS LYS LEU +SEQRES 8 A 141 ARG VAL ASP PRO VAL ASN PHE LYS LEU LEU SER HIS CYS +SEQRES 9 A 141 LEU LEU VAL THR LEU ALA ALA HIS LEU PRO ALA GLU PHE +SEQRES 10 A 141 THR PRO ALA VAL HIS ALA SER LEU ASP LYS PHE LEU ALA +SEQRES 11 A 141 SER VAL SER THR VAL LEU THR SER LYS TYR ARG +SEQRES 1 B 146 VAL HIS LEU THR PRO GLU GLU LYS SER ALA VAL THR ALA +SEQRES 2 B 146 LEU TRP GLY LYS VAL ASN VAL ASP GLU VAL GLY GLY GLU +SEQRES 3 B 146 ALA LEU GLY ARG LEU LEU VAL VAL TYR PRO TRP THR GLN +SEQRES 4 B 146 ARG PHE PHE GLU SER PHE GLY ASP LEU SER THR PRO ASP +SEQRES 5 B 146 ALA VAL MET GLY ASN PRO LYS VAL LYS ALA HIS GLY LYS +SEQRES 6 B 146 LYS VAL LEU GLY ALA PHE SER ASP GLY LEU ALA HIS LEU +SEQRES 7 B 146 ASP ASN LEU LYS GLY THR PHE ALA THR LEU SER GLU LEU +SEQRES 8 B 146 HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG +SEQRES 9 B 146 LEU LEU GLY ASN VAL LEU VAL CYS VAL LEU ALA HIS HIS +SEQRES 10 B 146 PHE GLY LYS GLU PHE THR PRO PRO VAL GLN ALA ALA TYR +SEQRES 11 B 146 GLN LYS VAL VAL ALA GLY VAL ALA ASN ALA LEU ALA HIS +SEQRES 12 B 146 LYS TYR HIS +SEQRES 1 C 141 VAL LEU SER PRO ALA ASP LYS THR ASN VAL LYS ALA ALA +SEQRES 2 C 141 TRP GLY LYS VAL GLY ALA HIS ALA GLY GLU TYR GLY ALA +SEQRES 3 C 141 GLU ALA LEU GLU ARG MET PHE LEU SER PHE PRO THR THR +SEQRES 4 C 141 LYS THR TYR PHE PRO HIS PHE ASP LEU SER HIS GLY SER +SEQRES 5 C 141 ALA GLN VAL LYS GLY HIS GLY LYS LYS VAL ALA ASP ALA +SEQRES 6 C 141 LEU THR ASN ALA VAL ALA HIS VAL ASP ASP MET PRO ASN +SEQRES 7 C 141 ALA LEU SER ALA LEU SER ASP LEU HIS ALA HIS LYS LEU +SEQRES 8 C 141 ARG VAL ASP PRO VAL ASN PHE LYS LEU LEU SER HIS CYS +SEQRES 9 C 141 LEU LEU VAL THR LEU ALA ALA HIS LEU PRO ALA GLU PHE +SEQRES 10 C 141 THR PRO ALA VAL HIS ALA SER LEU ASP LYS PHE LEU ALA +SEQRES 11 C 141 SER VAL SER THR VAL LEU THR SER LYS TYR ARG +SEQRES 1 D 146 VAL HIS LEU THR PRO GLU GLU LYS SER ALA VAL THR ALA +SEQRES 2 D 146 LEU TRP GLY LYS VAL ASN VAL ASP GLU VAL GLY GLY GLU +SEQRES 3 D 146 ALA LEU GLY ARG LEU LEU VAL VAL TYR PRO TRP THR GLN +SEQRES 4 D 146 ARG PHE PHE GLU SER PHE GLY ASP LEU SER THR PRO ASP +SEQRES 5 D 146 ALA VAL MET GLY ASN PRO LYS VAL LYS ALA HIS GLY LYS +SEQRES 6 D 146 LYS VAL LEU GLY ALA PHE SER ASP GLY LEU ALA HIS LEU +SEQRES 7 D 146 ASP ASN LEU LYS GLY THR PHE ALA THR LEU SER GLU LEU +SEQRES 8 D 146 HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG +SEQRES 9 D 146 LEU LEU GLY ASN VAL LEU VAL CYS VAL LEU ALA HIS HIS +SEQRES 10 D 146 PHE GLY LYS GLU PHE THR PRO PRO VAL GLN ALA ALA TYR +SEQRES 11 D 146 GLN LYS VAL VAL ALA GLY VAL ALA ASN ALA LEU ALA HIS +SEQRES 12 D 146 LYS TYR HIS +HET PO4 D 147 1 +HET PO4 B 147 1 +HET HEM A 142 43 +HET HEM B 148 43 +HET HEM C 142 43 +HET HEM D 148 43 +HETNAM PO4 PHOSPHATE ION +HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE +HETSYN HEM HEME +FORMUL 5 PO4 2(O4 P 3-) +FORMUL 7 HEM 4(C34 H32 FE N4 O4) +FORMUL 11 HOH *221(H2 O) +HELIX 1 AA SER A 3 GLY A 18 1 16 +HELIX 2 AB HIS A 20 SER A 35 1 16 +HELIX 3 AC PHE A 36 TYR A 42 1 7 +HELIX 4 AD HIS A 50 GLY A 51 1DEGEN 2 RES HLX RETAIN HOMOL 2 +HELIX 5 AE SER A 52 ALA A 71 1 20 +HELIX 6 AF LEU A 80 ALA A 88 1 9 +HELIX 7 AG ASP A 94 HIS A 112 1 19 +HELIX 8 AH THR A 118 SER A 138 1 21 +HELIX 9 BA THR B 4 VAL B 18 1 15 +HELIX 10 BB ASN B 19 VAL B 34 1 16 +HELIX 11 BC TYR B 35 PHE B 41 1 7 +HELIX 12 BD THR B 50 GLY B 56 1 7 +HELIX 13 BE ASN B 57 ALA B 76 1 20 +HELIX 14 BF PHE B 85 CYS B 93 1 9 +HELIX 15 BG ASP B 99 HIS B 117 1 19 +HELIX 16 BH THR B 123 HIS B 143 1 21 +HELIX 17 CA SER C 3 GLY C 18 1 16 +HELIX 18 CB HIS C 20 SER C 35 1 16 +HELIX 19 CC PHE C 36 TYR C 42 1 7 +HELIX 20 CD HIS C 50 GLY C 51 1DEGEN 2 RES HLX RETAIN HOMOL 2 +HELIX 21 CE SER C 52 ALA C 71 1 20 +HELIX 22 CF LEU C 80 ALA C 88 1 9 +HELIX 23 CG ASP C 94 HIS C 112 1 19 +HELIX 24 CH THR C 118 SER C 138 1 21 +HELIX 25 DA THR D 4 VAL D 18 1 15 +HELIX 26 DB ASN D 19 VAL D 34 1 16 +HELIX 27 DC TYR D 35 PHE D 41 1 7 +HELIX 28 DD THR D 50 GLY D 56 1 7 +HELIX 29 DE ASN D 57 ALA D 76 1 20 +HELIX 30 DF PHE D 85 CYS D 93 1 9 +HELIX 31 DG ASP D 99 HIS D 117 1 19 +HELIX 32 DH THR D 123 HIS D 143 1 21 +LINK NE2 HIS A 87 FE HEM A 142 1555 1555 2.14 +LINK NE2 HIS B 92 FE HEM B 148 1555 1555 2.22 +LINK NE2 HIS C 87 FE HEM C 142 1555 1555 2.26 +LINK NE2 HIS D 92 FE HEM D 148 1555 1555 1.98 +SITE 1 AC1 1 VAL D 1 +SITE 1 AC2 1 HOH B 197 +SITE 1 AC3 16 TYR A 42 PHE A 43 HIS A 45 PHE A 46 +SITE 2 AC3 16 HIS A 58 LYS A 61 LEU A 86 HIS A 87 +SITE 3 AC3 16 LEU A 91 VAL A 93 ASN A 97 PHE A 98 +SITE 4 AC3 16 LEU A 101 LEU A 136 HOH A 144 HOH A 159 +SITE 1 AC4 13 ALA A 53 HOH A 145 PHE B 41 HIS B 63 +SITE 2 AC4 13 LYS B 66 VAL B 67 HIS B 92 LEU B 96 +SITE 3 AC4 13 ASN B 102 PHE B 103 LEU B 141 HOH B 175 +SITE 4 AC4 13 HOH B 193 +SITE 1 AC5 15 TYR C 42 PHE C 43 HIS C 45 HIS C 58 +SITE 2 AC5 15 LYS C 61 LEU C 83 LEU C 86 HIS C 87 +SITE 3 AC5 15 LEU C 91 VAL C 93 ASN C 97 PHE C 98 +SITE 4 AC5 15 LEU C 136 HOH C 149 HOH C 164 +SITE 1 AC6 7 HIS D 63 LYS D 66 VAL D 67 HIS D 92 +SITE 2 AC6 7 LEU D 96 ASN D 102 LEU D 141 +CRYST1 63.150 83.590 53.800 90.00 99.34 90.00 P 1 21 1 4 +ORIGX1 0.963457 0.136613 0.230424 16.61000 +ORIGX2 -0.158977 0.983924 0.081383 13.72000 +ORIGX3 -0.215598 -0.115048 0.969683 37.65000 +SCALE1 0.015462 0.002192 0.003698 0.26656 +SCALE2 -0.001902 0.011771 0.000974 0.16413 +SCALE3 -0.001062 -0.001721 0.018728 0.75059 +MTRIX1 1 -1.000000 0.000000 0.000000 0.00001 1 +MTRIX2 1 0.000000 1.000000 0.000000 0.00002 1 +MTRIX3 1 0.000000 0.000000 -1.000000 0.00002 1 +ATOM 1 N VAL A 1 6.204 16.869 4.854 1.00 49.05 N +ATOM 2 CA VAL A 1 6.913 17.759 4.607 1.00 43.14 C +ATOM 3 C VAL A 1 8.504 17.378 4.797 1.00 24.80 C +ATOM 4 O VAL A 1 8.805 17.011 5.943 1.00 37.68 O +ATOM 5 CB VAL A 1 6.369 19.044 5.810 1.00 72.12 C +ATOM 6 CG1 VAL A 1 7.009 20.127 5.418 1.00 61.79 C +ATOM 7 CG2 VAL A 1 5.246 18.533 5.681 1.00 80.12 C +ATOM 8 N LEU A 2 9.096 18.040 3.857 1.00 26.44 N +ATOM 9 CA LEU A 2 10.600 17.889 4.283 1.00 26.32 C +ATOM 10 C LEU A 2 11.265 19.184 5.297 1.00 32.96 C +ATOM 11 O LEU A 2 10.813 20.177 4.647 1.00 31.90 O +ATOM 12 CB LEU A 2 11.099 18.007 2.815 1.00 29.23 C +ATOM 13 CG LEU A 2 11.322 16.956 1.934 1.00 37.71 C +ATOM 14 CD1 LEU A 2 11.468 15.596 2.337 1.00 39.10 C +ATOM 15 CD2 LEU A 2 11.423 17.268 0.300 1.00 37.47 C +ATOM 16 N SER A 3 11.584 18.730 6.148 1.00 28.01 N +ATOM 17 CA SER A 3 12.263 19.871 7.087 1.00 26.03 C +ATOM 18 C SER A 3 13.304 20.329 6.300 1.00 25.99 C +ATOM 19 O SER A 3 14.085 19.818 5.364 1.00 25.98 O +ATOM 20 CB SER A 3 12.744 19.045 8.223 1.00 23.41 C +ATOM 21 OG SER A 3 13.781 18.286 8.179 1.00 30.00 O +ATOM 22 N PRO A 4 14.196 21.422 7.097 1.00 37.49 N +ATOM 23 CA PRO A 4 15.048 21.890 6.206 1.00 38.81 C +ATOM 24 C PRO A 4 16.464 21.282 6.288 1.00 25.63 C +ATOM 25 O PRO A 4 17.212 20.899 5.409 1.00 34.38 O +ATOM 26 CB PRO A 4 15.814 23.113 7.166 1.00 50.44 C +ATOM 27 CG PRO A 4 14.493 23.536 7.638 1.00 43.42 C +ATOM 28 CD PRO A 4 13.298 22.523 7.651 1.00 42.77 C +ATOM 29 N ALA A 5 16.399 20.279 7.524 1.00 24.33 N +ATOM 30 CA ALA A 5 17.552 19.622 7.588 1.00 24.06 C +ATOM 31 C ALA A 5 17.376 18.283 6.601 1.00 20.01 C +ATOM 32 O ALA A 5 18.422 17.849 6.010 1.00 24.46 O +ATOM 33 CB ALA A 5 17.454 18.830 9.164 1.00 28.15 C +ATOM 34 N ASP A 6 16.050 17.799 6.298 1.00 21.19 N +ATOM 35 CA ASP A 6 15.881 16.887 5.120 1.00 23.14 C +ATOM 36 C ASP A 6 16.573 17.497 3.915 1.00 15.75 C +ATOM 37 O ASP A 6 17.240 16.611 3.235 1.00 18.92 O +ATOM 38 CB ASP A 6 14.530 16.515 4.983 1.00 18.68 C +ATOM 39 CG ASP A 6 13.966 15.638 6.125 1.00 21.70 C +ATOM 40 OD1 ASP A 6 14.573 14.751 6.678 1.00 19.76 O +ATOM 41 OD2 ASP A 6 12.734 15.931 6.321 1.00 21.26 O +ATOM 42 N LYS A 7 16.082 18.800 3.719 1.00 15.62 N +ATOM 43 CA LYS A 7 16.897 19.255 2.400 1.00 26.74 C +ATOM 44 C LYS A 7 18.354 19.319 2.072 1.00 24.82 C +ATOM 45 O LYS A 7 18.858 18.855 1.145 1.00 21.36 O +ATOM 46 CB LYS A 7 16.022 20.503 2.054 1.00 28.73 C +ATOM 47 CG LYS A 7 14.518 20.443 2.287 1.00 34.11 C +ATOM 48 CD LYS A 7 13.833 21.967 2.124 1.00 46.50 C +ATOM 49 CE LYS A 7 12.524 21.830 2.733 1.00 40.75 C +ATOM 50 NZ LYS A 7 12.310 23.286 2.231 1.00 50.05 N +ATOM 51 N THR A 8 18.879 19.583 3.554 1.00 20.80 N +ATOM 52 CA THR A 8 20.359 19.452 3.495 1.00 23.21 C +ATOM 53 C THR A 8 21.000 18.322 3.125 1.00 17.85 C +ATOM 54 O THR A 8 21.907 17.957 2.500 1.00 20.04 O +ATOM 55 CB THR A 8 20.762 20.269 4.939 1.00 31.90 C +ATOM 56 OG1 THR A 8 20.363 21.458 4.886 1.00 31.01 O +ATOM 57 CG2 THR A 8 22.026 20.115 4.978 1.00 43.78 C +ATOM 58 N ASN A 9 20.249 17.203 3.818 1.00 16.13 N +ATOM 59 CA ASN A 9 20.591 15.889 3.728 1.00 17.84 C +ATOM 60 C ASN A 9 20.630 15.286 2.184 1.00 14.45 C +ATOM 61 O ASN A 9 21.319 14.475 1.822 1.00 21.78 O +ATOM 62 CB ASN A 9 19.836 14.946 4.644 1.00 20.10 C +ATOM 63 CG ASN A 9 20.193 15.272 6.089 1.00 34.82 C +ATOM 64 OD1 ASN A 9 21.294 15.680 6.444 1.00 26.93 O +ATOM 65 ND2 ASN A 9 19.527 14.719 6.950 1.00 28.08 N +ATOM 66 N VAL A 10 19.435 15.546 1.583 1.00 19.64 N +ATOM 67 CA VAL A 10 19.157 15.110 0.179 1.00 13.04 C +ATOM 68 C VAL A 10 20.341 15.904 -0.719 1.00 18.71 C +ATOM 69 O VAL A 10 20.832 15.221 -1.618 1.00 22.34 O +ATOM 70 CB VAL A 10 17.776 15.394 -0.119 1.00 19.07 C +ATOM 71 CG1 VAL A 10 17.623 15.138 -1.549 1.00 21.59 C +ATOM 72 CG2 VAL A 10 16.816 14.756 0.575 1.00 22.75 C +ATOM 73 N LYS A 11 20.392 17.201 -0.404 1.00 18.31 N +ATOM 74 CA LYS A 11 21.297 18.030 -1.415 1.00 24.80 C +ATOM 75 C LYS A 11 22.762 17.451 -1.066 1.00 19.51 C +ATOM 76 O LYS A 11 23.584 17.190 -2.069 1.00 22.33 O +ATOM 77 CB LYS A 11 21.334 19.381 -1.059 1.00 39.77 C +ATOM 78 CG LYS A 11 20.229 20.052 -1.350 1.00 34.41 C +ATOM 79 CD LYS A 11 20.256 21.365 -1.389 1.00 46.95 C +ATOM 80 CE LYS A 11 18.633 21.891 -2.358 1.00 49.55 C +ATOM 81 NZ LYS A 11 18.398 23.088 -1.720 1.00 78.67 N +ATOM 82 N ALA A 12 23.031 16.766 0.069 1.00 20.60 N +ATOM 83 CA ALA A 12 24.347 16.671 -0.059 1.00 25.98 C +ATOM 84 C ALA A 12 24.529 15.278 -0.129 1.00 38.04 C +ATOM 85 O ALA A 12 25.505 14.711 -1.045 1.00 31.19 O +ATOM 86 CB ALA A 12 24.641 16.359 1.529 1.00 28.13 C +ATOM 87 N ALA A 13 23.581 14.281 -0.261 1.00 21.69 N +ATOM 88 CA ALA A 13 23.822 13.010 -0.701 1.00 19.11 C +ATOM 89 C ALA A 13 23.807 12.890 -2.423 1.00 22.93 C +ATOM 90 O ALA A 13 24.517 12.116 -2.938 1.00 24.98 O +ATOM 91 CB ALA A 13 22.612 12.109 -0.160 1.00 23.17 C +ATOM 92 N TRP A 14 22.807 13.763 -2.832 1.00 22.14 N +ATOM 93 CA TRP A 14 22.715 13.681 -4.311 1.00 21.27 C +ATOM 94 C TRP A 14 24.007 14.453 -5.015 1.00 28.97 C +ATOM 95 O TRP A 14 24.452 13.999 -6.086 1.00 27.61 O +ATOM 96 CB TRP A 14 21.129 14.484 -4.728 1.00 29.00 C +ATOM 97 CG TRP A 14 21.116 13.951 -5.830 1.00 25.79 C +ATOM 98 CD1 TRP A 14 21.182 14.904 -7.199 1.00 22.38 C +ATOM 99 CD2 TRP A 14 20.358 12.768 -6.306 1.00 20.46 C +ATOM 100 NE1 TRP A 14 20.545 13.886 -8.152 1.00 29.74 N +ATOM 101 CE2 TRP A 14 20.127 12.855 -7.917 1.00 27.75 C +ATOM 102 CE3 TRP A 14 19.993 11.556 -5.760 1.00 34.00 C +ATOM 103 CZ2 TRP A 14 19.685 11.924 -8.428 1.00 34.81 C +ATOM 104 CZ3 TRP A 14 19.443 10.605 -6.677 1.00 42.11 C +ATOM 105 CH2 TRP A 14 19.361 10.910 -7.988 1.00 47.54 C +ATOM 106 N GLY A 15 24.563 15.294 -4.064 1.00 40.92 N +ATOM 107 CA GLY A 15 25.545 16.032 -4.810 1.00 38.97 C +ATOM 108 C GLY A 15 26.606 14.720 -4.643 1.00 34.61 C +ATOM 109 O GLY A 15 27.532 14.956 -6.011 1.00 36.24 O +ATOM 110 N LYS A 16 27.023 14.192 -4.019 1.00 35.37 N +ATOM 111 CA LYS A 16 27.691 12.809 -3.990 1.00 29.09 C +ATOM 112 C LYS A 16 27.692 11.980 -5.322 1.00 27.28 C +ATOM 113 O LYS A 16 28.444 11.335 -5.752 1.00 36.62 O +ATOM 114 CB LYS A 16 27.773 11.881 -2.758 1.00 30.47 C +ATOM 115 CG LYS A 16 29.128 10.897 -2.949 1.00 47.02 C +ATOM 116 CD LYS A 16 30.512 12.265 -2.454 1.00 66.41 C +ATOM 117 CE LYS A 16 31.160 10.590 -3.127 1.00 65.00 C +ATOM 118 NZ LYS A 16 31.293 9.343 -2.468 1.00 69.28 N +ATOM 119 N VAL A 17 26.231 11.894 -5.716 1.00 40.63 N +ATOM 120 CA VAL A 17 25.763 11.093 -6.580 1.00 32.19 C +ATOM 121 C VAL A 17 26.644 11.417 -8.297 1.00 51.53 C +ATOM 122 O VAL A 17 27.090 10.850 -8.486 1.00 36.95 O +ATOM 123 CB VAL A 17 24.455 10.688 -6.704 1.00 24.77 C +ATOM 124 CG1 VAL A 17 24.024 10.418 -8.088 1.00 21.73 C +ATOM 125 CG2 VAL A 17 23.718 9.922 -5.546 1.00 23.90 C +ATOM 126 N GLY A 18 26.340 12.947 -7.963 1.00 36.07 N +ATOM 127 CA GLY A 18 27.063 13.723 -8.931 1.00 37.64 C +ATOM 128 C GLY A 18 26.574 12.969 -10.560 1.00 27.84 C +ATOM 129 O GLY A 18 25.253 13.110 -10.707 1.00 34.16 O +ATOM 130 N ALA A 19 27.657 12.515 -11.022 1.00 35.70 N +ATOM 131 CA ALA A 19 27.728 12.613 -12.429 1.00 37.59 C +ATOM 132 C ALA A 19 27.500 10.976 -12.552 1.00 34.69 C +ATOM 133 O ALA A 19 27.084 10.420 -13.842 1.00 48.59 O +ATOM 134 CB ALA A 19 29.012 12.664 -13.280 1.00 46.19 C +ATOM 135 N HIS A 20 27.156 10.119 -11.606 1.00 20.24 N +ATOM 136 CA HIS A 20 26.883 8.665 -11.713 1.00 19.03 C +ATOM 137 C HIS A 20 25.297 8.749 -11.742 1.00 17.82 C +ATOM 138 O HIS A 20 24.744 7.547 -11.745 1.00 20.59 O +ATOM 139 CB HIS A 20 27.211 8.007 -10.561 1.00 31.92 C +ATOM 140 CG HIS A 20 28.495 7.629 -10.284 1.00 45.35 C +ATOM 141 ND1 HIS A 20 29.488 7.023 -11.531 1.00 52.86 N +ATOM 142 CD2 HIS A 20 29.445 8.698 -9.743 1.00 43.12 C +ATOM 143 CE1 HIS A 20 30.546 7.246 -10.801 1.00 68.75 C +ATOM 144 NE2 HIS A 20 30.729 7.865 -10.003 1.00 55.89 N +ATOM 145 N ALA A 21 24.687 9.784 -11.799 1.00 29.55 N +ATOM 146 CA ALA A 21 23.159 9.917 -11.488 1.00 29.36 C +ATOM 147 C ALA A 21 22.579 8.284 -12.650 1.00 46.23 C +ATOM 148 O ALA A 21 21.659 8.109 -12.129 1.00 27.88 O +ATOM 149 CB ALA A 21 22.561 11.174 -11.335 1.00 28.64 C +ATOM 150 N GLY A 22 22.741 9.029 -13.713 1.00 27.74 N +ATOM 151 CA GLY A 22 22.302 7.955 -14.644 1.00 29.10 C +ATOM 152 C GLY A 22 22.405 6.768 -14.523 1.00 40.30 C +ATOM 153 O GLY A 22 21.884 5.714 -14.971 1.00 33.08 O +ATOM 154 N GLU A 23 23.751 6.163 -14.331 1.00 22.76 N +ATOM 155 CA GLU A 23 24.084 4.748 -14.144 1.00 14.60 C +ATOM 156 C GLU A 23 23.211 4.210 -12.893 1.00 13.41 C +ATOM 157 O GLU A 23 22.937 3.039 -12.842 1.00 16.24 O +ATOM 158 CB GLU A 23 25.664 4.939 -13.797 1.00 20.16 C +ATOM 159 CG GLU A 23 26.201 3.519 -13.776 1.00 40.65 C +ATOM 160 CD GLU A 23 28.243 3.900 -13.483 1.00 70.75 C +ATOM 161 OE1 GLU A 23 27.931 3.380 -11.875 1.00 57.57 O +ATOM 162 OE2 GLU A 23 28.452 5.212 -13.971 1.00 57.46 O +ATOM 163 N TYR A 24 23.179 5.044 -11.863 1.00 18.60 N +ATOM 164 CA TYR A 24 22.505 4.593 -10.679 1.00 26.35 C +ATOM 165 C TYR A 24 21.016 4.562 -11.095 1.00 17.67 C +ATOM 166 O TYR A 24 20.360 3.603 -10.478 1.00 17.15 O +ATOM 167 CB TYR A 24 22.464 5.807 -9.581 1.00 21.47 C +ATOM 168 CG TYR A 24 23.992 5.643 -8.868 1.00 17.94 C +ATOM 169 CD1 TYR A 24 24.282 6.445 -7.897 1.00 25.54 C +ATOM 170 CD2 TYR A 24 24.950 4.858 -9.353 1.00 18.41 C +ATOM 171 CE1 TYR A 24 25.677 6.369 -7.422 1.00 27.77 C +ATOM 172 CE2 TYR A 24 26.305 4.768 -8.960 1.00 24.84 C +ATOM 173 CZ TYR A 24 26.528 5.702 -7.748 1.00 28.92 C +ATOM 174 OH TYR A 24 27.827 5.849 -7.564 1.00 33.79 O +ATOM 175 N GLY A 25 20.378 5.478 -11.759 1.00 17.58 N +ATOM 176 CA GLY A 25 19.016 5.420 -12.390 1.00 16.95 C +ATOM 177 C GLY A 25 18.833 4.130 -12.941 1.00 12.93 C +ATOM 178 O GLY A 25 17.819 3.343 -12.872 1.00 14.53 O +ATOM 179 N ALA A 26 19.615 3.604 -13.915 1.00 15.78 N +ATOM 180 CA ALA A 26 19.582 2.579 -14.539 1.00 18.05 C +ATOM 181 C ALA A 26 19.480 1.089 -13.772 1.00 13.38 C +ATOM 182 O ALA A 26 18.901 0.084 -13.805 1.00 13.68 O +ATOM 183 CB ALA A 26 20.556 2.124 -15.501 1.00 21.17 C +ATOM 184 N GLU A 27 20.535 1.124 -12.715 1.00 13.26 N +ATOM 185 CA GLU A 27 20.575 0.021 -11.753 1.00 15.73 C +ATOM 186 C GLU A 27 19.308 -0.043 -10.886 1.00 9.69 C +ATOM 187 O GLU A 27 18.918 -1.164 -10.735 1.00 13.70 O +ATOM 188 CB GLU A 27 21.903 0.397 -10.962 1.00 17.47 C +ATOM 189 CG GLU A 27 21.998 -0.702 -9.888 1.00 16.72 C +ATOM 190 CD GLU A 27 23.378 -0.554 -8.914 1.00 28.34 C +ATOM 191 OE1 GLU A 27 23.164 -0.938 -7.844 1.00 20.53 O +ATOM 192 OE2 GLU A 27 24.282 0.068 -9.385 1.00 20.32 O +ATOM 193 N ALA A 28 18.802 1.101 -10.459 1.00 11.71 N +ATOM 194 CA ALA A 28 17.589 1.092 -9.707 1.00 14.08 C +ATOM 195 C ALA A 28 16.437 0.281 -10.410 1.00 18.50 C +ATOM 196 O ALA A 28 15.609 -0.358 -10.010 1.00 12.43 O +ATOM 197 CB ALA A 28 17.166 2.432 -9.252 1.00 19.09 C +ATOM 198 N LEU A 29 16.400 0.918 -11.698 1.00 12.19 N +ATOM 199 CA LEU A 29 15.328 0.075 -12.594 1.00 17.48 C +ATOM 200 C LEU A 29 15.559 -1.439 -12.734 1.00 9.74 C +ATOM 201 O LEU A 29 14.606 -2.189 -12.644 1.00 10.80 O +ATOM 202 CB LEU A 29 15.302 0.859 -14.203 1.00 12.13 C +ATOM 203 CG LEU A 29 14.894 2.291 -14.067 1.00 14.66 C +ATOM 204 CD1 LEU A 29 15.261 2.690 -15.515 1.00 16.80 C +ATOM 205 CD2 LEU A 29 13.402 2.225 -13.944 1.00 18.58 C +ATOM 206 N GLU A 30 16.843 -1.859 -13.083 1.00 9.20 N +ATOM 207 CA GLU A 30 17.065 -3.260 -13.067 1.00 11.66 C +ATOM 208 C GLU A 30 16.682 -4.043 -11.806 1.00 13.48 C +ATOM 209 O GLU A 30 16.222 -5.112 -11.842 1.00 17.00 O +ATOM 210 CB GLU A 30 18.445 -3.450 -13.556 1.00 19.11 C +ATOM 211 CG GLU A 30 18.613 -4.789 -13.421 1.00 27.23 C +ATOM 212 CD GLU A 30 20.397 -5.050 -14.290 1.00 43.77 C +ATOM 213 OE1 GLU A 30 21.034 -4.018 -14.191 1.00 45.21 O +ATOM 214 OE2 GLU A 30 20.320 -6.204 -14.925 1.00 45.13 O +ATOM 215 N ARG A 31 17.074 -3.325 -10.709 1.00 11.70 N +ATOM 216 CA ARG A 31 16.706 -3.885 -9.384 1.00 13.69 C +ATOM 217 C ARG A 31 15.116 -4.077 -9.266 1.00 13.95 C +ATOM 218 O ARG A 31 14.772 -5.201 -8.729 1.00 16.42 O +ATOM 219 CB ARG A 31 17.207 -3.143 -8.212 1.00 9.32 C +ATOM 220 CG ARG A 31 18.786 -3.298 -8.162 1.00 14.85 C +ATOM 221 CD ARG A 31 19.223 -2.383 -7.101 1.00 20.12 C +ATOM 222 NE ARG A 31 20.863 -2.372 -6.759 1.00 14.83 N +ATOM 223 CZ ARG A 31 21.361 -3.431 -6.210 1.00 13.22 C +ATOM 224 NH1 ARG A 31 20.746 -4.460 -5.716 1.00 11.40 N +ATOM 225 NH2 ARG A 31 22.719 -3.344 -6.301 1.00 17.34 N +ATOM 226 N MET A 32 14.439 -3.020 -9.681 1.00 11.37 N +ATOM 227 CA MET A 32 13.032 -3.139 -9.600 1.00 10.16 C +ATOM 228 C MET A 32 12.471 -4.206 -10.484 1.00 12.10 C +ATOM 229 O MET A 32 11.562 -5.027 -10.075 1.00 12.78 O +ATOM 230 CB MET A 32 12.387 -1.842 -9.978 1.00 12.48 C +ATOM 231 CG MET A 32 10.889 -1.620 -9.930 1.00 17.73 C +ATOM 232 SD MET A 32 10.285 -0.089 -10.543 1.00 15.12 S +ATOM 233 CE MET A 32 10.633 -0.449 -12.284 1.00 11.32 C +ATOM 234 N PHE A 33 12.859 -4.341 -11.658 1.00 13.98 N +ATOM 235 CA PHE A 33 12.423 -5.476 -12.584 1.00 16.07 C +ATOM 236 C PHE A 33 12.551 -6.737 -12.305 1.00 12.29 C +ATOM 237 O PHE A 33 11.788 -7.686 -12.349 1.00 14.84 O +ATOM 238 CB PHE A 33 12.947 -5.237 -13.990 1.00 11.16 C +ATOM 239 CG PHE A 33 12.536 -3.998 -14.641 1.00 10.01 C +ATOM 240 CD1 PHE A 33 11.466 -3.383 -14.673 1.00 13.62 C +ATOM 241 CD2 PHE A 33 13.679 -3.464 -15.536 1.00 19.46 C +ATOM 242 CE1 PHE A 33 11.074 -2.180 -15.483 1.00 17.65 C +ATOM 243 CE2 PHE A 33 13.177 -2.070 -16.087 1.00 14.83 C +ATOM 244 CZ PHE A 33 12.158 -1.591 -16.095 1.00 12.93 C +ATOM 245 N LEU A 34 13.735 -6.963 -11.432 1.00 16.04 N +ATOM 246 CA LEU A 34 14.079 -8.337 -11.022 1.00 14.57 C +ATOM 247 C LEU A 34 13.293 -8.578 -9.676 1.00 17.64 C +ATOM 248 O LEU A 34 12.997 -9.724 -9.442 1.00 18.98 O +ATOM 249 CB LEU A 34 15.453 -8.526 -10.814 1.00 18.08 C +ATOM 250 CG LEU A 34 16.401 -8.680 -11.761 1.00 28.60 C +ATOM 251 CD1 LEU A 34 17.957 -8.573 -11.703 1.00 25.37 C +ATOM 252 CD2 LEU A 34 15.936 -9.330 -12.871 1.00 34.83 C +ATOM 253 N SER A 35 13.220 -7.510 -8.706 1.00 15.41 N +ATOM 254 CA SER A 35 12.815 -7.908 -7.502 1.00 14.95 C +ATOM 255 C SER A 35 11.238 -7.909 -7.418 1.00 15.69 C +ATOM 256 O SER A 35 10.517 -8.531 -6.585 1.00 14.29 O +ATOM 257 CB SER A 35 13.131 -6.749 -6.442 1.00 13.14 C +ATOM 258 OG SER A 35 14.485 -7.014 -6.085 1.00 17.78 O +ATOM 259 N PHE A 36 10.680 -7.033 -8.262 1.00 13.54 N +ATOM 260 CA PHE A 36 9.195 -6.850 -8.454 1.00 13.46 C +ATOM 261 C PHE A 36 8.843 -6.910 -9.927 1.00 8.62 C +ATOM 262 O PHE A 36 8.478 -5.788 -10.556 1.00 14.12 O +ATOM 263 CB PHE A 36 8.936 -5.457 -7.919 1.00 16.50 C +ATOM 264 CG PHE A 36 9.418 -4.974 -6.493 1.00 13.63 C +ATOM 265 CD1 PHE A 36 10.591 -4.292 -6.329 1.00 11.92 C +ATOM 266 CD2 PHE A 36 8.828 -5.831 -5.362 1.00 19.28 C +ATOM 267 CE1 PHE A 36 11.048 -4.090 -5.054 1.00 15.75 C +ATOM 268 CE2 PHE A 36 9.372 -5.629 -4.112 1.00 13.78 C +ATOM 269 CZ PHE A 36 10.535 -4.872 -4.007 1.00 15.33 C +ATOM 270 N PRO A 37 8.621 -8.156 -10.145 1.00 14.18 N +ATOM 271 CA PRO A 37 8.292 -8.333 -11.715 1.00 17.12 C +ATOM 272 C PRO A 37 7.088 -7.804 -12.224 1.00 17.85 C +ATOM 273 O PRO A 37 6.976 -7.542 -13.453 1.00 18.50 O +ATOM 274 CB PRO A 37 8.433 -9.844 -11.897 1.00 23.37 C +ATOM 275 CG PRO A 37 8.573 -10.410 -10.572 1.00 28.27 C +ATOM 276 CD PRO A 37 8.857 -9.204 -9.532 1.00 20.43 C +ATOM 277 N THR A 38 6.105 -7.481 -11.322 1.00 18.86 N +ATOM 278 CA THR A 38 4.849 -6.949 -11.938 1.00 14.66 C +ATOM 279 C THR A 38 5.134 -5.609 -12.568 1.00 12.72 C +ATOM 280 O THR A 38 4.433 -5.064 -13.326 1.00 15.75 O +ATOM 281 CB THR A 38 3.879 -6.749 -10.732 1.00 19.10 C +ATOM 282 OG1 THR A 38 4.340 -6.112 -9.661 1.00 18.82 O +ATOM 283 CG2 THR A 38 3.543 -8.224 -10.416 1.00 22.69 C +ATOM 284 N THR A 39 6.269 -4.882 -12.154 1.00 14.27 N +ATOM 285 CA THR A 39 6.491 -3.556 -12.776 1.00 10.19 C +ATOM 286 C THR A 39 6.886 -3.690 -14.302 1.00 10.17 C +ATOM 287 O THR A 39 6.836 -2.719 -14.886 1.00 14.01 O +ATOM 288 CB THR A 39 7.510 -2.917 -11.996 1.00 15.56 C +ATOM 289 OG1 THR A 39 8.881 -3.562 -11.937 1.00 14.68 O +ATOM 290 CG2 THR A 39 7.258 -2.652 -10.511 1.00 20.52 C +ATOM 291 N LYS A 40 7.174 -4.831 -14.593 1.00 14.72 N +ATOM 292 CA LYS A 40 7.574 -4.871 -15.954 1.00 15.89 C +ATOM 293 C LYS A 40 6.392 -4.785 -17.012 1.00 21.37 C +ATOM 294 O LYS A 40 6.437 -4.614 -18.103 1.00 15.72 O +ATOM 295 CB LYS A 40 8.145 -6.482 -16.338 1.00 11.64 C +ATOM 296 CG LYS A 40 9.529 -6.584 -15.725 1.00 16.19 C +ATOM 297 CD LYS A 40 10.167 -7.889 -16.138 1.00 23.35 C +ATOM 298 CE LYS A 40 9.677 -9.033 -15.597 1.00 24.42 C +ATOM 299 NZ LYS A 40 10.352 -10.362 -15.922 1.00 19.04 N +ATOM 300 N THR A 41 5.127 -4.865 -16.397 1.00 13.16 N +ATOM 301 CA THR A 41 3.875 -4.707 -17.174 1.00 14.78 C +ATOM 302 C THR A 41 3.932 -3.487 -17.746 1.00 15.32 C +ATOM 303 O THR A 41 3.044 -3.054 -18.672 1.00 15.67 O +ATOM 304 CB THR A 41 2.612 -5.037 -16.228 1.00 15.38 C +ATOM 305 OG1 THR A 41 2.526 -4.071 -15.248 1.00 14.93 O +ATOM 306 CG2 THR A 41 2.578 -6.405 -15.884 1.00 16.57 C +ATOM 307 N TYR A 42 4.610 -2.356 -17.311 1.00 10.46 N +ATOM 308 CA TYR A 42 4.398 -1.015 -17.861 1.00 12.73 C +ATOM 309 C TYR A 42 5.571 -0.792 -19.101 1.00 7.07 C +ATOM 310 O TYR A 42 5.611 0.312 -19.642 1.00 12.11 O +ATOM 311 CB TYR A 42 4.898 -0.049 -16.794 1.00 14.67 C +ATOM 312 CG TYR A 42 3.618 0.026 -15.875 1.00 13.54 C +ATOM 313 CD1 TYR A 42 2.437 0.794 -16.095 1.00 19.68 C +ATOM 314 CD2 TYR A 42 3.661 -0.765 -14.634 1.00 18.38 C +ATOM 315 CE1 TYR A 42 1.433 0.570 -15.142 1.00 23.98 C +ATOM 316 CE2 TYR A 42 2.601 -0.739 -13.758 1.00 13.41 C +ATOM 317 CZ TYR A 42 1.469 -0.048 -14.033 1.00 18.96 C +ATOM 318 OH TYR A 42 0.436 -0.054 -13.115 1.00 19.81 O +ATOM 319 N PHE A 43 6.476 -1.826 -19.154 1.00 17.11 N +ATOM 320 CA PHE A 43 7.621 -1.843 -20.115 1.00 18.18 C +ATOM 321 C PHE A 43 7.472 -2.895 -21.133 1.00 24.86 C +ATOM 322 O PHE A 43 8.506 -3.413 -21.456 1.00 22.13 O +ATOM 323 CB PHE A 43 8.883 -1.731 -19.445 1.00 15.44 C +ATOM 324 CG PHE A 43 9.117 -0.406 -18.576 1.00 14.36 C +ATOM 325 CD1 PHE A 43 8.554 -0.479 -17.198 1.00 14.47 C +ATOM 326 CD2 PHE A 43 9.564 0.739 -18.886 1.00 16.54 C +ATOM 327 CE1 PHE A 43 8.777 0.624 -16.478 1.00 20.56 C +ATOM 328 CE2 PHE A 43 9.747 1.973 -18.107 1.00 17.61 C +ATOM 329 CZ PHE A 43 9.344 1.707 -16.778 1.00 18.88 C +ATOM 330 N PRO A 44 6.315 -3.239 -21.641 1.00 18.09 N +ATOM 331 CA PRO A 44 6.381 -4.414 -22.439 1.00 22.24 C +ATOM 332 C PRO A 44 7.028 -3.933 -24.077 1.00 24.15 C +ATOM 333 O PRO A 44 7.495 -4.754 -24.733 1.00 24.01 O +ATOM 334 CB PRO A 44 5.048 -4.531 -22.752 1.00 28.44 C +ATOM 335 CG PRO A 44 4.370 -3.210 -22.675 1.00 24.77 C +ATOM 336 CD PRO A 44 5.151 -2.594 -21.501 1.00 21.37 C +ATOM 337 N HIS A 45 7.181 -2.759 -24.200 1.00 22.61 N +ATOM 338 CA HIS A 45 7.861 -2.190 -25.416 1.00 32.33 C +ATOM 339 C HIS A 45 9.330 -2.042 -25.421 1.00 27.50 C +ATOM 340 O HIS A 45 9.974 -1.539 -26.257 1.00 22.34 O +ATOM 341 CB HIS A 45 7.358 -0.919 -25.693 1.00 28.91 C +ATOM 342 CG HIS A 45 7.192 0.375 -24.801 1.00 24.48 C +ATOM 343 ND1 HIS A 45 6.886 -0.058 -23.407 1.00 28.61 N +ATOM 344 CD2 HIS A 45 7.956 1.463 -24.795 1.00 25.11 C +ATOM 345 CE1 HIS A 45 7.011 1.085 -22.716 1.00 26.97 C +ATOM 346 NE2 HIS A 45 7.765 2.042 -23.628 1.00 30.40 N +ATOM 347 N PHE A 46 10.122 -2.386 -24.054 1.00 17.28 N +ATOM 348 CA PHE A 46 11.455 -2.262 -23.909 1.00 16.89 C +ATOM 349 C PHE A 46 12.005 -3.636 -24.127 1.00 16.17 C +ATOM 350 O PHE A 46 11.604 -4.686 -23.635 1.00 18.14 O +ATOM 351 CB PHE A 46 11.684 -1.700 -22.434 1.00 19.02 C +ATOM 352 CG PHE A 46 11.699 -0.399 -22.451 1.00 24.73 C +ATOM 353 CD1 PHE A 46 12.430 0.377 -21.434 1.00 19.60 C +ATOM 354 CD2 PHE A 46 11.298 0.412 -23.118 1.00 32.07 C +ATOM 355 CE1 PHE A 46 12.410 1.666 -21.260 1.00 16.62 C +ATOM 356 CE2 PHE A 46 11.265 1.969 -23.113 1.00 32.95 C +ATOM 357 CZ PHE A 46 11.777 2.738 -22.175 1.00 26.82 C +ATOM 358 N ASP A 47 13.392 -3.464 -24.534 1.00 19.28 N +ATOM 359 CA ASP A 47 14.201 -4.676 -24.267 1.00 21.11 C +ATOM 360 C ASP A 47 14.839 -4.498 -22.659 1.00 19.86 C +ATOM 361 O ASP A 47 15.431 -3.489 -22.547 1.00 21.26 O +ATOM 362 CB ASP A 47 15.523 -4.420 -25.240 1.00 18.49 C +ATOM 363 CG ASP A 47 16.401 -5.761 -25.037 1.00 31.25 C +ATOM 364 OD1 ASP A 47 16.311 -6.607 -24.275 1.00 29.75 O +ATOM 365 OD2 ASP A 47 17.439 -5.328 -25.588 1.00 43.41 O +ATOM 366 N LEU A 48 14.368 -5.324 -22.041 1.00 24.03 N +ATOM 367 CA LEU A 48 14.753 -5.341 -20.734 1.00 18.27 C +ATOM 368 C LEU A 48 15.791 -6.404 -20.198 1.00 36.02 C +ATOM 369 O LEU A 48 16.171 -6.209 -19.141 1.00 39.74 O +ATOM 370 CB LEU A 48 13.415 -5.610 -19.721 1.00 19.69 C +ATOM 371 CG LEU A 48 12.489 -4.486 -19.789 1.00 21.82 C +ATOM 372 CD1 LEU A 48 11.174 -5.208 -18.951 1.00 33.27 C +ATOM 373 CD2 LEU A 48 12.620 -3.262 -19.549 1.00 24.10 C +ATOM 374 N SER A 49 16.783 -6.499 -21.225 1.00 29.95 N +ATOM 375 CA SER A 49 18.122 -7.384 -21.060 1.00 36.57 C +ATOM 376 C SER A 49 18.846 -6.374 -20.277 1.00 27.84 C +ATOM 377 O SER A 49 19.000 -5.086 -20.358 1.00 22.88 O +ATOM 378 CB SER A 49 18.154 -8.122 -22.211 1.00 37.22 C +ATOM 379 OG SER A 49 18.651 -7.428 -22.904 1.00 43.53 O +ATOM 380 N HIS A 50 19.910 -7.126 -19.381 1.00 28.70 N +ATOM 381 CA HIS A 50 20.458 -5.929 -18.816 1.00 33.73 C +ATOM 382 C HIS A 50 21.497 -5.179 -19.493 1.00 26.32 C +ATOM 383 O HIS A 50 22.162 -5.918 -20.594 1.00 31.00 O +ATOM 384 CB HIS A 50 21.839 -7.147 -17.996 1.00 52.72 C +ATOM 385 CG HIS A 50 22.748 -6.326 -17.477 1.00 44.40 C +ATOM 386 ND1 HIS A 50 22.626 -5.701 -16.215 1.00 33.80 N +ATOM 387 CD2 HIS A 50 24.218 -6.937 -17.247 1.00 47.43 C +ATOM 388 CE1 HIS A 50 23.812 -5.042 -15.891 1.00 41.56 C +ATOM 389 NE2 HIS A 50 24.721 -5.696 -16.698 1.00 46.05 N +ATOM 390 N GLY A 51 21.750 -4.254 -19.494 1.00 24.77 N +ATOM 391 CA GLY A 51 22.455 -3.151 -20.084 1.00 47.57 C +ATOM 392 C GLY A 51 21.857 -2.536 -21.373 1.00 38.90 C +ATOM 393 O GLY A 51 22.594 -2.038 -22.085 1.00 36.29 O +ATOM 394 N SER A 52 20.675 -3.017 -21.484 1.00 31.32 N +ATOM 395 CA SER A 52 19.963 -2.196 -22.851 1.00 26.23 C +ATOM 396 C SER A 52 20.134 -0.997 -22.782 1.00 16.57 C +ATOM 397 O SER A 52 19.933 -0.129 -21.983 1.00 20.02 O +ATOM 398 CB SER A 52 18.619 -2.881 -22.964 1.00 27.24 C +ATOM 399 OG SER A 52 17.746 -2.046 -22.388 1.00 23.82 O +ATOM 400 N ALA A 53 20.194 -0.382 -24.103 1.00 17.74 N +ATOM 401 CA ALA A 53 20.270 0.998 -24.154 1.00 23.86 C +ATOM 402 C ALA A 53 18.923 1.773 -23.848 1.00 16.18 C +ATOM 403 O ALA A 53 18.953 2.849 -23.330 1.00 19.42 O +ATOM 404 CB ALA A 53 20.303 1.395 -25.787 1.00 25.47 C +ATOM 405 N GLN A 54 17.736 0.981 -23.874 1.00 20.85 N +ATOM 406 CA GLN A 54 16.512 1.657 -23.573 1.00 13.59 C +ATOM 407 C GLN A 54 16.574 1.828 -21.914 1.00 19.26 C +ATOM 408 O GLN A 54 15.942 2.867 -21.609 1.00 20.48 O +ATOM 409 CB GLN A 54 15.353 0.611 -23.904 1.00 15.39 C +ATOM 410 CG GLN A 54 14.983 0.803 -25.364 1.00 20.40 C +ATOM 411 CD GLN A 54 14.209 -0.311 -25.782 1.00 15.48 C +ATOM 412 OE1 GLN A 54 14.579 -1.521 -25.849 1.00 23.45 O +ATOM 413 NE2 GLN A 54 13.268 -0.063 -26.856 1.00 19.86 N +ATOM 414 N VAL A 55 16.964 0.770 -21.300 1.00 16.87 N +ATOM 415 CA VAL A 55 17.057 0.967 -19.825 1.00 16.48 C +ATOM 416 C VAL A 55 17.956 2.003 -19.318 1.00 17.36 C +ATOM 417 O VAL A 55 17.791 2.873 -18.570 1.00 18.40 O +ATOM 418 CB VAL A 55 17.306 -0.514 -19.268 1.00 14.78 C +ATOM 419 CG1 VAL A 55 17.609 -0.401 -17.796 1.00 21.77 C +ATOM 420 CG2 VAL A 55 16.107 -1.297 -19.446 1.00 16.83 C +ATOM 421 N LYS A 56 19.228 1.986 -19.953 1.00 16.43 N +ATOM 422 CA LYS A 56 20.094 3.039 -19.797 1.00 16.52 C +ATOM 423 C LYS A 56 19.566 4.272 -19.699 1.00 21.58 C +ATOM 424 O LYS A 56 19.825 5.350 -19.163 1.00 20.11 O +ATOM 425 CB LYS A 56 21.563 2.786 -20.316 1.00 18.35 C +ATOM 426 CG LYS A 56 21.968 1.412 -19.848 1.00 28.49 C +ATOM 427 CD LYS A 56 23.832 1.798 -20.631 1.00 44.71 C +ATOM 428 CE LYS A 56 24.647 0.185 -20.276 1.00 47.65 C +ATOM 429 NZ LYS A 56 26.042 0.618 -20.926 1.00 52.31 N +ATOM 430 N GLY A 57 19.018 4.549 -21.123 1.00 17.21 N +ATOM 431 CA GLY A 57 18.386 5.829 -21.439 1.00 25.10 C +ATOM 432 C GLY A 57 17.163 6.322 -20.441 1.00 19.44 C +ATOM 433 O GLY A 57 17.339 7.478 -20.078 1.00 20.54 O +ATOM 434 N HIS A 58 16.465 5.322 -20.170 1.00 18.79 N +ATOM 435 CA HIS A 58 15.350 5.701 -19.218 1.00 20.27 C +ATOM 436 C HIS A 58 15.995 6.080 -17.623 1.00 13.51 C +ATOM 437 O HIS A 58 15.432 7.056 -17.182 1.00 17.47 O +ATOM 438 CB HIS A 58 14.449 4.447 -19.262 1.00 17.90 C +ATOM 439 CG HIS A 58 13.058 4.996 -18.478 1.00 15.76 C +ATOM 440 ND1 HIS A 58 12.287 6.114 -18.800 1.00 20.40 N +ATOM 441 CD2 HIS A 58 12.522 4.394 -17.450 1.00 20.31 C +ATOM 442 CE1 HIS A 58 11.473 6.092 -17.719 1.00 20.13 C +ATOM 443 NE2 HIS A 58 11.497 5.103 -17.065 1.00 21.08 N +ATOM 444 N GLY A 59 16.881 5.222 -17.443 1.00 14.95 N +ATOM 445 CA GLY A 59 17.562 5.623 -16.096 1.00 18.11 C +ATOM 446 C GLY A 59 18.124 6.806 -15.942 1.00 19.85 C +ATOM 447 O GLY A 59 17.932 7.718 -15.003 1.00 15.36 O +ATOM 448 N LYS A 60 18.701 7.399 -17.074 1.00 17.17 N +ATOM 449 CA LYS A 60 19.105 8.846 -17.109 1.00 18.34 C +ATOM 450 C LYS A 60 18.266 9.905 -16.940 1.00 18.03 C +ATOM 451 O LYS A 60 18.249 10.847 -16.377 1.00 18.72 O +ATOM 452 CB LYS A 60 20.142 9.096 -18.402 1.00 30.65 C +ATOM 453 CG LYS A 60 20.617 10.355 -18.546 1.00 41.57 C +ATOM 454 CD LYS A 60 21.486 10.272 -19.721 1.00 63.44 C +ATOM 455 CE LYS A 60 22.042 12.123 -19.760 1.00 44.10 C +ATOM 456 NZ LYS A 60 23.253 10.931 -21.838 1.00 49.08 N +ATOM 457 N LYS A 61 17.057 9.480 -17.740 1.00 16.33 N +ATOM 458 CA LYS A 61 15.986 10.442 -17.612 1.00 17.87 C +ATOM 459 C LYS A 61 15.127 10.479 -16.158 1.00 14.89 C +ATOM 460 O LYS A 61 14.981 11.608 -15.829 1.00 19.71 O +ATOM 461 CB LYS A 61 14.717 10.033 -18.529 1.00 25.67 C +ATOM 462 CG LYS A 61 14.971 10.361 -20.143 1.00 41.04 C +ATOM 463 CD LYS A 61 13.959 9.646 -21.043 1.00 54.25 C +ATOM 464 CE LYS A 61 14.061 9.666 -21.851 1.00 78.95 C +ATOM 465 NZ LYS A 61 13.029 9.011 -23.092 1.00 43.58 N +ATOM 466 N VAL A 62 15.316 9.304 -15.709 1.00 15.10 N +ATOM 467 CA VAL A 62 14.699 9.322 -14.234 1.00 16.18 C +ATOM 468 C VAL A 62 15.686 10.200 -13.093 1.00 18.93 C +ATOM 469 O VAL A 62 15.095 11.051 -12.555 1.00 16.64 O +ATOM 470 CB VAL A 62 14.660 7.890 -13.835 1.00 13.59 C +ATOM 471 CG1 VAL A 62 14.141 7.704 -12.419 1.00 20.28 C +ATOM 472 CG2 VAL A 62 13.407 7.365 -14.552 1.00 17.24 C +ATOM 473 N ALA A 63 16.863 9.822 -13.546 1.00 18.60 N +ATOM 474 CA ALA A 63 17.806 10.661 -12.634 1.00 14.91 C +ATOM 475 C ALA A 63 18.050 11.967 -12.922 1.00 18.47 C +ATOM 476 O ALA A 63 17.940 12.889 -11.976 1.00 18.58 O +ATOM 477 CB ALA A 63 19.170 9.768 -12.782 1.00 37.76 C +ATOM 478 N ASP A 64 17.821 12.573 -14.198 1.00 16.80 N +ATOM 479 CA ASP A 64 17.733 13.912 -14.174 1.00 24.74 C +ATOM 480 C ASP A 64 16.549 14.773 -13.697 1.00 17.12 C +ATOM 481 O ASP A 64 16.672 15.717 -13.116 1.00 22.08 O +ATOM 482 CB ASP A 64 17.603 14.212 -15.737 1.00 35.97 C +ATOM 483 CG ASP A 64 19.349 14.293 -16.612 1.00 31.06 C +ATOM 484 OD1 ASP A 64 20.156 13.672 -15.497 1.00 35.72 O +ATOM 485 OD2 ASP A 64 18.977 14.172 -17.839 1.00 43.58 O +ATOM 486 N ALA A 65 15.332 13.912 -13.869 1.00 13.28 N +ATOM 487 CA ALA A 65 14.329 14.415 -13.017 1.00 17.27 C +ATOM 488 C ALA A 65 14.445 14.482 -11.415 1.00 13.03 C +ATOM 489 O ALA A 65 13.989 15.536 -11.013 1.00 17.77 O +ATOM 490 CB ALA A 65 12.982 13.578 -13.361 1.00 23.35 C +ATOM 491 N LEU A 66 15.162 13.498 -11.063 1.00 15.51 N +ATOM 492 CA LEU A 66 15.339 13.706 -9.605 1.00 11.63 C +ATOM 493 C LEU A 66 16.337 14.754 -9.333 1.00 19.15 C +ATOM 494 O LEU A 66 16.146 15.585 -8.334 1.00 19.52 O +ATOM 495 CB LEU A 66 15.829 12.371 -9.144 1.00 13.76 C +ATOM 496 CG LEU A 66 14.823 11.115 -8.963 1.00 19.82 C +ATOM 497 CD1 LEU A 66 15.489 9.880 -8.746 1.00 18.79 C +ATOM 498 CD2 LEU A 66 13.658 11.434 -8.143 1.00 21.54 C +ATOM 499 N THR A 67 17.286 14.890 -10.137 1.00 15.35 N +ATOM 500 CA THR A 67 18.223 15.978 -10.096 1.00 19.22 C +ATOM 501 C THR A 67 17.538 17.420 -10.103 1.00 19.35 C +ATOM 502 O THR A 67 17.647 18.426 -9.135 1.00 25.50 O +ATOM 503 CB THR A 67 19.391 15.815 -10.975 1.00 27.92 C +ATOM 504 OG1 THR A 67 20.048 14.951 -10.890 1.00 31.77 O +ATOM 505 CG2 THR A 67 20.007 17.263 -11.105 1.00 31.55 C +ATOM 506 N ASN A 68 16.575 17.470 -11.016 1.00 18.73 N +ATOM 507 CA ASN A 68 15.744 18.747 -11.028 1.00 18.68 C +ATOM 508 C ASN A 68 14.923 18.912 -9.894 1.00 24.52 C +ATOM 509 O ASN A 68 14.765 20.137 -9.247 1.00 25.75 O +ATOM 510 CB ASN A 68 14.756 18.608 -12.121 1.00 25.79 C +ATOM 511 CG ASN A 68 13.735 19.831 -12.299 1.00 36.65 C +ATOM 512 OD1 ASN A 68 14.126 20.875 -12.151 1.00 38.63 O +ATOM 513 ND2 ASN A 68 12.596 19.698 -13.037 1.00 39.67 N +ATOM 514 N ALA A 69 14.365 17.791 -9.099 1.00 17.85 N +ATOM 515 CA ALA A 69 13.480 18.120 -7.964 1.00 16.12 C +ATOM 516 C ALA A 69 14.454 18.477 -6.733 1.00 15.28 C +ATOM 517 O ALA A 69 14.055 19.178 -5.996 1.00 20.90 O +ATOM 518 CB ALA A 69 13.019 16.796 -7.635 1.00 21.91 C +ATOM 519 N VAL A 70 15.742 17.807 -6.739 1.00 18.42 N +ATOM 520 CA VAL A 70 16.670 18.320 -5.560 1.00 18.79 C +ATOM 521 C VAL A 70 17.052 19.774 -5.743 1.00 21.40 C +ATOM 522 O VAL A 70 16.986 20.472 -4.749 1.00 22.44 O +ATOM 523 CB VAL A 70 17.782 17.521 -5.616 1.00 19.75 C +ATOM 524 CG1 VAL A 70 19.021 17.739 -4.714 1.00 24.49 C +ATOM 525 CG2 VAL A 70 17.476 16.043 -5.206 1.00 30.23 C +ATOM 526 N ALA A 71 17.156 20.293 -6.971 1.00 20.17 N +ATOM 527 CA ALA A 71 17.389 21.815 -7.308 1.00 23.56 C +ATOM 528 C ALA A 71 16.370 22.294 -6.912 1.00 25.98 C +ATOM 529 O ALA A 71 16.635 23.655 -6.511 1.00 33.09 O +ATOM 530 CB ALA A 71 17.654 21.789 -8.655 1.00 32.78 C +ATOM 531 N HIS A 72 15.081 22.080 -6.888 1.00 23.78 N +ATOM 532 CA HIS A 72 13.997 22.837 -6.617 1.00 21.95 C +ATOM 533 C HIS A 72 13.181 22.411 -5.617 1.00 20.17 C +ATOM 534 O HIS A 72 11.897 22.212 -5.613 1.00 23.99 O +ATOM 535 CB HIS A 72 12.821 22.953 -7.947 1.00 35.07 C +ATOM 536 CG HIS A 72 13.866 23.277 -8.689 1.00 34.89 C +ATOM 537 ND1 HIS A 72 13.873 24.932 -9.510 1.00 43.74 N +ATOM 538 CD2 HIS A 72 14.464 23.117 -10.031 1.00 29.96 C +ATOM 539 CE1 HIS A 72 15.153 25.255 -9.959 1.00 41.69 C +ATOM 540 NE2 HIS A 72 15.223 24.225 -10.948 1.00 44.85 N +ATOM 541 N VAL A 73 13.752 21.857 -4.446 1.00 23.31 N +ATOM 542 CA VAL A 73 13.057 21.077 -3.315 1.00 23.32 C +ATOM 543 C VAL A 73 12.075 21.651 -2.904 1.00 32.07 C +ATOM 544 O VAL A 73 10.955 21.485 -2.533 1.00 42.18 O +ATOM 545 CB VAL A 73 13.998 20.556 -2.485 1.00 41.19 C +ATOM 546 CG1 VAL A 73 14.923 21.399 -1.795 1.00 52.76 C +ATOM 547 CG2 VAL A 73 13.799 19.262 -2.036 1.00 47.91 C +ATOM 548 N ASP A 74 12.275 23.065 -2.789 1.00 30.40 N +ATOM 549 CA ASP A 74 11.145 24.002 -2.142 1.00 34.95 C +ATOM 550 C ASP A 74 10.049 24.015 -3.350 1.00 50.97 C +ATOM 551 O ASP A 74 9.132 24.778 -2.717 1.00 49.62 O +ATOM 552 CB ASP A 74 11.678 25.422 -2.020 1.00 42.77 C +ATOM 553 CG ASP A 74 12.830 25.304 -0.645 1.00 52.01 C +ATOM 554 OD1 ASP A 74 12.752 24.865 0.015 1.00 49.67 O +ATOM 555 OD2 ASP A 74 14.337 25.661 -0.918 1.00 51.46 O +ATOM 556 N ASP A 75 9.922 23.915 -4.261 1.00 36.55 N +ATOM 557 CA ASP A 75 8.668 23.936 -5.208 1.00 36.46 C +ATOM 558 C ASP A 75 8.874 22.788 -6.315 1.00 19.07 C +ATOM 559 O ASP A 75 8.567 23.036 -7.581 1.00 22.77 O +ATOM 560 CB ASP A 75 9.451 25.163 -6.540 1.00 64.13 C +ATOM 561 CG ASP A 75 8.868 25.436 -6.330 1.00 74.46 C +ATOM 562 OD1 ASP A 75 7.314 26.337 -6.605 1.00 47.43 O +ATOM 563 OD2 ASP A 75 8.881 25.994 -8.289 1.00 60.83 O +ATOM 564 N MET A 76 8.625 21.775 -5.634 1.00 28.83 N +ATOM 565 CA MET A 76 8.674 20.530 -6.647 1.00 25.75 C +ATOM 566 C MET A 76 7.271 20.288 -7.401 1.00 26.47 C +ATOM 567 O MET A 76 7.358 19.996 -8.579 1.00 25.06 O +ATOM 568 CB MET A 76 8.643 19.305 -5.552 1.00 26.87 C +ATOM 569 CG MET A 76 9.740 19.092 -5.553 1.00 44.91 C +ATOM 570 SD MET A 76 10.207 17.317 -4.716 1.00 43.69 S +ATOM 571 CE MET A 76 10.186 17.272 -3.278 1.00 47.45 C +ATOM 572 N PRO A 77 6.289 20.734 -6.858 1.00 24.72 N +ATOM 573 CA PRO A 77 5.288 21.011 -7.720 1.00 32.25 C +ATOM 574 C PRO A 77 5.404 21.500 -8.895 1.00 33.71 C +ATOM 575 O PRO A 77 4.843 20.983 -10.107 1.00 27.50 O +ATOM 576 CB PRO A 77 3.868 21.504 -6.885 1.00 35.42 C +ATOM 577 CG PRO A 77 4.538 21.027 -5.570 1.00 42.65 C +ATOM 578 CD PRO A 77 5.873 20.979 -5.490 1.00 26.77 C +ATOM 579 N ASN A 78 5.832 22.745 -9.066 1.00 28.71 N +ATOM 580 CA ASN A 78 5.931 23.542 -10.146 1.00 29.25 C +ATOM 581 C ASN A 78 7.105 22.960 -10.923 1.00 25.30 C +ATOM 582 O ASN A 78 7.043 22.562 -12.258 1.00 31.49 O +ATOM 583 CB ASN A 78 6.292 25.075 -10.189 1.00 52.85 C +ATOM 584 CG ASN A 78 5.615 25.627 -10.060 1.00 62.76 C +ATOM 585 OD1 ASN A 78 4.765 26.184 -8.258 1.00 71.55 O +ATOM 586 ND2 ASN A 78 4.594 25.811 -10.486 1.00 72.60 N +ATOM 587 N ALA A 79 8.114 22.456 -10.315 1.00 21.06 N +ATOM 588 CA ALA A 79 9.264 21.897 -10.989 1.00 28.88 C +ATOM 589 C ALA A 79 8.963 20.522 -11.944 1.00 27.69 C +ATOM 590 O ALA A 79 9.465 20.431 -13.022 1.00 25.51 O +ATOM 591 CB ALA A 79 10.294 21.701 -10.105 1.00 35.64 C +ATOM 592 N LEU A 80 8.232 19.781 -11.312 1.00 22.21 N +ATOM 593 CA LEU A 80 7.767 18.341 -11.815 1.00 24.91 C +ATOM 594 C LEU A 80 6.510 18.562 -12.698 1.00 29.49 C +ATOM 595 O LEU A 80 5.875 17.479 -12.950 1.00 21.47 O +ATOM 596 CB LEU A 80 7.734 17.285 -10.765 1.00 17.03 C +ATOM 597 CG LEU A 80 9.126 17.077 -10.078 1.00 26.04 C +ATOM 598 CD1 LEU A 80 8.930 16.109 -9.016 1.00 30.97 C +ATOM 599 CD2 LEU A 80 10.040 16.545 -11.282 1.00 40.31 C +ATOM 600 N SER A 81 5.857 19.827 -12.942 1.00 21.07 N +ATOM 601 CA SER A 81 4.431 19.687 -13.335 1.00 18.09 C +ATOM 602 C SER A 81 4.363 19.087 -14.671 1.00 20.48 C +ATOM 603 O SER A 81 3.314 18.257 -14.890 1.00 25.77 O +ATOM 604 CB SER A 81 4.467 21.619 -13.861 1.00 32.64 C +ATOM 605 OG SER A 81 2.994 21.456 -13.913 1.00 44.30 O +ATOM 606 N ALA A 82 5.219 18.957 -15.594 1.00 23.80 N +ATOM 607 CA ALA A 82 5.295 18.397 -16.849 1.00 21.23 C +ATOM 608 C ALA A 82 5.047 16.984 -16.596 1.00 19.91 C +ATOM 609 O ALA A 82 4.419 16.133 -17.266 1.00 24.36 O +ATOM 610 CB ALA A 82 6.433 18.664 -17.830 1.00 22.94 C +ATOM 611 N LEU A 83 6.039 16.444 -15.755 1.00 18.35 N +ATOM 612 CA LEU A 83 5.983 14.900 -15.664 1.00 19.01 C +ATOM 613 C LEU A 83 4.967 14.491 -14.735 1.00 18.91 C +ATOM 614 O LEU A 83 4.393 13.347 -14.967 1.00 18.17 O +ATOM 615 CB LEU A 83 7.250 14.624 -14.735 1.00 22.27 C +ATOM 616 CG LEU A 83 8.130 13.821 -15.009 1.00 34.66 C +ATOM 617 CD1 LEU A 83 8.449 13.918 -16.558 1.00 28.24 C +ATOM 618 CD2 LEU A 83 9.756 14.153 -14.680 1.00 38.79 C +ATOM 619 N SER A 84 4.321 15.210 -13.869 1.00 13.22 N +ATOM 620 CA SER A 84 3.091 14.769 -13.309 1.00 14.54 C +ATOM 621 C SER A 84 1.806 14.643 -14.240 1.00 13.50 C +ATOM 622 O SER A 84 1.081 13.802 -14.037 1.00 20.19 O +ATOM 623 CB SER A 84 2.316 15.701 -11.953 1.00 25.45 C +ATOM 624 OG SER A 84 3.028 16.684 -12.075 1.00 36.19 O +ATOM 625 N ASP A 85 1.894 15.645 -15.194 1.00 15.99 N +ATOM 626 CA ASP A 85 0.657 15.457 -16.246 1.00 18.10 C +ATOM 627 C ASP A 85 0.872 14.320 -17.117 1.00 20.71 C +ATOM 628 O ASP A 85 0.085 13.524 -17.249 1.00 20.01 O +ATOM 629 CB ASP A 85 0.847 16.636 -17.207 1.00 30.89 C +ATOM 630 CG ASP A 85 0.240 17.791 -16.350 1.00 57.00 C +ATOM 631 OD1 ASP A 85 -0.408 17.890 -15.984 1.00 51.34 O +ATOM 632 OD2 ASP A 85 0.645 19.250 -17.189 1.00 50.68 O +ATOM 633 N LEU A 86 2.217 13.883 -17.444 1.00 20.13 N +ATOM 634 CA LEU A 86 2.516 12.802 -18.225 1.00 17.03 C +ATOM 635 C LEU A 86 2.094 11.499 -17.604 1.00 14.48 C +ATOM 636 O LEU A 86 1.613 10.536 -18.155 1.00 18.46 O +ATOM 637 CB LEU A 86 4.085 12.859 -18.555 1.00 16.01 C +ATOM 638 CG LEU A 86 4.479 11.856 -19.204 1.00 23.66 C +ATOM 639 CD1 LEU A 86 4.217 11.927 -20.682 1.00 40.43 C +ATOM 640 CD2 LEU A 86 6.063 11.399 -19.455 1.00 33.72 C +ATOM 641 N HIS A 87 2.488 11.534 -16.185 1.00 12.17 N +ATOM 642 CA HIS A 87 2.237 10.125 -15.649 1.00 12.85 C +ATOM 643 C HIS A 87 0.524 10.055 -15.280 1.00 15.39 C +ATOM 644 O HIS A 87 0.114 8.957 -15.394 1.00 15.03 O +ATOM 645 CB HIS A 87 2.873 10.043 -14.177 1.00 13.63 C +ATOM 646 CG HIS A 87 4.357 9.531 -14.510 1.00 14.91 C +ATOM 647 ND1 HIS A 87 5.315 10.638 -14.847 1.00 15.35 N +ATOM 648 CD2 HIS A 87 5.128 8.461 -14.450 1.00 17.85 C +ATOM 649 CE1 HIS A 87 6.425 9.938 -15.110 1.00 15.29 C +ATOM 650 NE2 HIS A 87 6.410 8.672 -14.776 1.00 15.64 N +ATOM 651 N ALA A 88 0.070 11.240 -15.092 1.00 19.56 N +ATOM 652 CA ALA A 88 -1.450 11.245 -14.731 1.00 16.45 C +ATOM 653 C ALA A 88 -2.307 10.782 -16.164 1.00 28.29 C +ATOM 654 O ALA A 88 -3.217 10.321 -15.884 1.00 25.27 O +ATOM 655 CB ALA A 88 -1.985 12.408 -13.954 1.00 17.34 C +ATOM 656 N HIS A 89 -1.856 11.542 -17.115 1.00 21.56 N +ATOM 657 CA HIS A 89 -2.652 11.471 -18.284 1.00 29.42 C +ATOM 658 C HIS A 89 -2.430 10.590 -19.375 1.00 27.17 C +ATOM 659 O HIS A 89 -3.237 9.974 -20.183 1.00 22.35 O +ATOM 660 CB HIS A 89 -2.855 12.836 -18.839 1.00 26.26 C +ATOM 661 CG HIS A 89 -3.474 13.775 -17.933 1.00 44.45 C +ATOM 662 ND1 HIS A 89 -4.582 13.545 -17.082 1.00 45.59 N +ATOM 663 CD2 HIS A 89 -3.036 15.133 -17.376 1.00 45.61 C +ATOM 664 CE1 HIS A 89 -4.931 14.373 -15.965 1.00 42.72 C +ATOM 665 NE2 HIS A 89 -3.969 15.212 -16.507 1.00 43.49 N +ATOM 666 N LYS A 90 -1.237 10.085 -19.553 1.00 18.65 N +ATOM 667 CA LYS A 90 -0.701 9.212 -20.311 1.00 28.92 C +ATOM 668 C LYS A 90 -0.235 7.836 -20.094 1.00 28.09 C +ATOM 669 O LYS A 90 -0.814 6.865 -20.213 1.00 25.04 O +ATOM 670 CB LYS A 90 0.483 9.973 -21.248 1.00 32.47 C +ATOM 671 CG LYS A 90 -0.258 11.271 -22.102 1.00 49.97 C +ATOM 672 CD LYS A 90 -1.161 11.150 -22.865 1.00 58.54 C +ATOM 673 CE LYS A 90 -0.717 12.584 -23.928 1.00 66.22 C +ATOM 674 NZ LYS A 90 -3.148 11.648 -24.501 1.00 63.54 N +ATOM 675 N LEU A 91 0.684 7.834 -19.083 1.00 17.50 N +ATOM 676 CA LEU A 91 1.357 6.678 -18.728 1.00 15.47 C +ATOM 677 C LEU A 91 0.469 5.814 -17.729 1.00 18.54 C +ATOM 678 O LEU A 91 0.360 4.623 -17.933 1.00 17.03 O +ATOM 679 CB LEU A 91 2.810 6.867 -17.956 1.00 13.84 C +ATOM 680 CG LEU A 91 3.828 7.564 -18.848 1.00 16.01 C +ATOM 681 CD1 LEU A 91 4.943 7.934 -18.256 1.00 18.27 C +ATOM 682 CD2 LEU A 91 3.998 6.811 -20.081 1.00 22.12 C +ATOM 683 N ARG A 92 -0.013 6.544 -16.785 1.00 18.03 N +ATOM 684 CA ARG A 92 -1.120 5.962 -15.831 1.00 14.41 C +ATOM 685 C ARG A 92 -0.663 4.876 -15.136 1.00 15.84 C +ATOM 686 O ARG A 92 -1.280 3.746 -14.964 1.00 17.92 O +ATOM 687 CB ARG A 92 -2.457 5.762 -16.768 1.00 18.61 C +ATOM 688 CG ARG A 92 -3.108 6.901 -17.068 1.00 25.14 C +ATOM 689 CD ARG A 92 -3.735 6.578 -19.206 1.00 53.25 C +ATOM 690 NE ARG A 92 -4.375 7.010 -18.108 1.00 51.61 N +ATOM 691 CZ ARG A 92 -5.273 6.721 -20.498 1.00 59.18 C +ATOM 692 NH1 ARG A 92 -4.092 6.059 -21.138 1.00 31.30 N +ATOM 693 NH2 ARG A 92 -6.080 6.715 -20.222 1.00 36.70 N +ATOM 694 N VAL A 93 0.444 4.876 -14.510 1.00 14.32 N +ATOM 695 CA VAL A 93 1.119 3.933 -13.665 1.00 16.19 C +ATOM 696 C VAL A 93 0.472 3.844 -12.448 1.00 13.83 C +ATOM 697 O VAL A 93 0.272 4.879 -11.643 1.00 14.88 O +ATOM 698 CB VAL A 93 2.564 4.273 -13.453 1.00 12.60 C +ATOM 699 CG1 VAL A 93 3.153 3.301 -12.513 1.00 15.68 C +ATOM 700 CG2 VAL A 93 3.314 4.342 -14.815 1.00 15.91 C +ATOM 701 N ASP A 94 0.015 2.696 -11.867 1.00 14.66 N +ATOM 702 CA ASP A 94 -0.813 2.633 -10.611 1.00 11.73 C +ATOM 703 C ASP A 94 0.271 3.244 -9.468 1.00 12.54 C +ATOM 704 O ASP A 94 1.339 2.859 -9.516 1.00 16.42 O +ATOM 705 CB ASP A 94 -1.010 1.197 -10.262 1.00 12.92 C +ATOM 706 CG ASP A 94 -1.972 1.228 -9.080 1.00 22.91 C +ATOM 707 OD1 ASP A 94 -3.187 1.146 -9.201 1.00 22.17 O +ATOM 708 OD2 ASP A 94 -1.457 1.316 -7.935 1.00 19.01 O +ATOM 709 N PRO A 95 -0.249 3.901 -8.527 1.00 16.46 N +ATOM 710 CA PRO A 95 0.567 4.636 -7.596 1.00 14.67 C +ATOM 711 C PRO A 95 1.260 3.622 -6.816 1.00 17.74 C +ATOM 712 O PRO A 95 2.400 4.046 -6.219 1.00 22.38 O +ATOM 713 CB PRO A 95 -0.368 5.238 -6.654 1.00 22.16 C +ATOM 714 CG PRO A 95 -1.377 5.777 -7.565 1.00 21.38 C +ATOM 715 CD PRO A 95 -1.576 4.623 -8.536 1.00 20.78 C +ATOM 716 N VAL A 96 0.927 2.374 -6.618 1.00 13.01 N +ATOM 717 CA VAL A 96 1.730 1.539 -5.762 1.00 11.93 C +ATOM 718 C VAL A 96 3.098 1.350 -6.142 1.00 21.27 C +ATOM 719 O VAL A 96 4.069 1.031 -5.537 1.00 16.07 O +ATOM 720 CB VAL A 96 0.857 0.099 -5.620 1.00 29.83 C +ATOM 721 CG1 VAL A 96 0.923 -0.687 -6.401 1.00 48.43 C +ATOM 722 CG2 VAL A 96 1.322 -0.240 -4.779 1.00 70.91 C +ATOM 723 N ASN A 97 3.269 1.470 -7.559 1.00 15.63 N +ATOM 724 CA ASN A 97 4.615 1.047 -8.098 1.00 10.10 C +ATOM 725 C ASN A 97 5.675 2.262 -7.895 1.00 4.91 C +ATOM 726 O ASN A 97 6.828 1.839 -7.860 1.00 9.67 O +ATOM 727 CB ASN A 97 4.581 0.892 -9.670 1.00 13.43 C +ATOM 728 CG ASN A 97 3.716 -0.282 -9.938 1.00 17.91 C +ATOM 729 OD1 ASN A 97 4.086 -1.378 -9.937 1.00 10.92 O +ATOM 730 ND2 ASN A 97 2.339 0.119 -10.294 1.00 21.96 N +ATOM 731 N PHE A 98 5.251 3.390 -7.458 1.00 9.20 N +ATOM 732 CA PHE A 98 6.132 4.482 -7.110 1.00 12.10 C +ATOM 733 C PHE A 98 6.958 4.075 -5.773 1.00 12.02 C +ATOM 734 O PHE A 98 8.240 4.323 -5.676 1.00 11.50 O +ATOM 735 CB PHE A 98 5.590 5.923 -6.936 1.00 16.66 C +ATOM 736 CG PHE A 98 5.051 6.336 -8.208 1.00 14.23 C +ATOM 737 CD1 PHE A 98 5.894 7.220 -8.806 1.00 16.70 C +ATOM 738 CD2 PHE A 98 3.842 5.962 -8.759 1.00 12.76 C +ATOM 739 CE1 PHE A 98 5.529 7.688 -9.904 1.00 23.57 C +ATOM 740 CE2 PHE A 98 3.513 6.440 -10.107 1.00 15.74 C +ATOM 741 CZ PHE A 98 4.374 7.231 -10.516 1.00 17.50 C +ATOM 742 N LYS A 99 6.362 3.356 -4.846 1.00 13.69 N +ATOM 743 CA LYS A 99 7.109 2.770 -3.687 1.00 13.57 C +ATOM 744 C LYS A 99 7.912 1.744 -3.941 1.00 14.35 C +ATOM 745 O LYS A 99 9.044 1.864 -3.350 1.00 13.29 O +ATOM 746 CB LYS A 99 5.909 2.378 -2.665 1.00 22.01 C +ATOM 747 CG LYS A 99 5.016 2.967 -2.454 1.00 54.35 C +ATOM 748 CD LYS A 99 4.488 3.000 -1.609 1.00 72.56 C +ATOM 749 CE LYS A 99 2.959 1.795 -1.600 1.00 73.99 C +ATOM 750 NZ LYS A 99 1.741 2.896 -0.134 1.00 80.12 N +ATOM 751 N LEU A 100 7.785 1.013 -5.037 1.00 9.89 N +ATOM 752 CA LEU A 100 8.665 -0.028 -5.354 1.00 8.80 C +ATOM 753 C LEU A 100 9.884 0.546 -6.019 1.00 9.28 C +ATOM 754 O LEU A 100 11.014 0.165 -5.616 1.00 12.09 O +ATOM 755 CB LEU A 100 8.009 -1.084 -6.185 1.00 11.00 C +ATOM 756 CG LEU A 100 6.724 -1.520 -5.691 1.00 16.83 C +ATOM 757 CD1 LEU A 100 6.069 -2.688 -6.703 1.00 20.94 C +ATOM 758 CD2 LEU A 100 7.065 -2.491 -4.548 1.00 18.49 C +ATOM 759 N LEU A 101 9.812 1.484 -6.927 1.00 8.39 N +ATOM 760 CA LEU A 101 10.986 2.076 -7.511 1.00 10.30 C +ATOM 761 C LEU A 101 11.701 2.979 -6.551 1.00 14.49 C +ATOM 762 O LEU A 101 12.986 2.948 -6.333 1.00 16.14 O +ATOM 763 CB LEU A 101 10.485 2.971 -8.570 1.00 11.44 C +ATOM 764 CG LEU A 101 11.708 3.704 -9.282 1.00 15.06 C +ATOM 765 CD1 LEU A 101 12.805 2.937 -9.771 1.00 17.72 C +ATOM 766 CD2 LEU A 101 11.060 4.651 -10.427 1.00 19.38 C +ATOM 767 N SER A 102 11.019 3.662 -5.475 1.00 15.17 N +ATOM 768 CA SER A 102 11.653 4.426 -4.454 1.00 9.19 C +ATOM 769 C SER A 102 12.577 3.423 -3.620 1.00 9.91 C +ATOM 770 O SER A 102 13.768 3.831 -3.267 1.00 14.07 O +ATOM 771 CB SER A 102 10.597 5.003 -3.570 1.00 12.36 C +ATOM 772 OG SER A 102 9.919 6.079 -4.248 1.00 16.52 O +ATOM 773 N HIS A 103 12.034 2.275 -3.168 1.00 12.27 N +ATOM 774 CA HIS A 103 12.685 1.217 -2.471 1.00 10.16 C +ATOM 775 C HIS A 103 14.063 1.009 -3.068 1.00 13.13 C +ATOM 776 O HIS A 103 15.226 0.862 -2.602 1.00 13.37 O +ATOM 777 CB HIS A 103 11.949 0.073 -2.013 1.00 12.31 C +ATOM 778 CG HIS A 103 12.674 -1.002 -1.380 1.00 10.33 C +ATOM 779 ND1 HIS A 103 12.899 -2.229 -2.007 1.00 10.01 N +ATOM 780 CD2 HIS A 103 13.318 -0.937 -0.179 1.00 9.56 C +ATOM 781 CE1 HIS A 103 13.687 -2.798 -1.043 1.00 12.63 C +ATOM 782 NE2 HIS A 103 14.053 -2.093 0.083 1.00 10.77 N +ATOM 783 N CYS A 104 13.914 0.657 -4.439 1.00 11.06 N +ATOM 784 CA CYS A 104 15.233 0.205 -5.307 1.00 11.72 C +ATOM 785 C CYS A 104 16.049 1.418 -5.518 1.00 9.58 C +ATOM 786 O CYS A 104 17.228 1.081 -5.567 1.00 14.10 O +ATOM 787 CB CYS A 104 14.671 -0.439 -6.552 1.00 16.81 C +ATOM 788 SG CYS A 104 13.797 -1.958 -6.414 1.00 14.76 S +ATOM 789 N LEU A 105 15.618 2.594 -5.516 1.00 7.99 N +ATOM 790 CA LEU A 105 16.723 3.634 -5.593 1.00 10.43 C +ATOM 791 C LEU A 105 17.448 3.890 -4.202 1.00 11.96 C +ATOM 792 O LEU A 105 18.594 3.985 -4.326 1.00 15.19 O +ATOM 793 CB LEU A 105 15.765 4.895 -6.092 1.00 16.93 C +ATOM 794 CG LEU A 105 15.765 5.438 -7.260 1.00 44.57 C +ATOM 795 CD1 LEU A 105 14.641 6.498 -7.442 1.00 40.98 C +ATOM 796 CD2 LEU A 105 16.687 5.564 -8.008 1.00 33.21 C +ATOM 797 N LEU A 106 16.617 3.676 -3.143 1.00 10.40 N +ATOM 798 CA LEU A 106 17.322 3.635 -1.869 1.00 15.02 C +ATOM 799 C LEU A 106 18.190 2.641 -1.668 1.00 13.79 C +ATOM 800 O LEU A 106 19.481 2.857 -1.263 1.00 13.12 O +ATOM 801 CB LEU A 106 16.241 3.634 -0.757 1.00 16.59 C +ATOM 802 CG LEU A 106 15.821 4.348 0.036 1.00 26.87 C +ATOM 803 CD1 LEU A 106 14.832 4.036 0.973 1.00 28.01 C +ATOM 804 CD2 LEU A 106 16.399 5.824 0.153 1.00 18.73 C +ATOM 805 N VAL A 107 18.054 1.391 -2.126 1.00 9.58 N +ATOM 806 CA VAL A 107 18.953 0.372 -2.172 1.00 10.69 C +ATOM 807 C VAL A 107 20.116 0.640 -3.008 1.00 12.39 C +ATOM 808 O VAL A 107 21.316 0.322 -2.651 1.00 13.09 O +ATOM 809 CB VAL A 107 18.301 -0.968 -2.671 1.00 14.48 C +ATOM 810 CG1 VAL A 107 19.286 -1.955 -2.913 1.00 19.64 C +ATOM 811 CG2 VAL A 107 17.236 -1.532 -1.566 1.00 13.81 C +ATOM 812 N THR A 108 19.963 1.288 -4.127 1.00 12.66 N +ATOM 813 CA THR A 108 21.110 1.595 -5.027 1.00 11.04 C +ATOM 814 C THR A 108 21.986 2.516 -4.350 1.00 11.25 C +ATOM 815 O THR A 108 23.209 2.402 -4.407 1.00 13.68 O +ATOM 816 CB THR A 108 20.373 2.089 -6.467 1.00 8.55 C +ATOM 817 OG1 THR A 108 19.740 1.009 -7.110 1.00 9.51 O +ATOM 818 CG2 THR A 108 21.547 2.322 -7.342 1.00 15.85 C +ATOM 819 N LEU A 109 21.371 3.638 -3.771 1.00 11.20 N +ATOM 820 CA LEU A 109 22.189 4.682 -3.080 1.00 12.61 C +ATOM 821 C LEU A 109 23.015 3.976 -1.882 1.00 16.09 C +ATOM 822 O LEU A 109 24.210 4.291 -1.739 1.00 14.60 O +ATOM 823 CB LEU A 109 21.280 5.707 -2.657 1.00 17.08 C +ATOM 824 CG LEU A 109 20.748 6.795 -3.713 1.00 24.50 C +ATOM 825 CD1 LEU A 109 19.679 7.424 -3.306 1.00 22.52 C +ATOM 826 CD2 LEU A 109 21.379 6.943 -4.782 1.00 32.08 C +ATOM 827 N ALA A 110 22.243 3.090 -1.228 1.00 13.55 N +ATOM 828 CA ALA A 110 22.985 2.551 -0.107 1.00 19.86 C +ATOM 829 C ALA A 110 24.128 1.797 -0.396 1.00 18.59 C +ATOM 830 O ALA A 110 25.285 1.654 0.094 1.00 14.76 O +ATOM 831 CB ALA A 110 21.957 1.572 0.573 1.00 17.34 C +ATOM 832 N ALA A 111 24.211 0.998 -1.558 1.00 15.15 N +ATOM 833 CA ALA A 111 25.062 0.161 -2.216 1.00 13.42 C +ATOM 834 C ALA A 111 26.376 1.017 -2.643 1.00 16.84 C +ATOM 835 O ALA A 111 27.331 0.420 -2.883 1.00 21.50 O +ATOM 836 CB ALA A 111 24.726 -0.813 -3.252 1.00 16.85 C +ATOM 837 N HIS A 112 26.089 2.220 -3.063 1.00 17.71 N +ATOM 838 CA HIS A 112 27.174 3.032 -3.686 1.00 25.83 C +ATOM 839 C HIS A 112 27.556 4.174 -2.656 1.00 21.86 C +ATOM 840 O HIS A 112 28.710 4.609 -3.162 1.00 23.07 O +ATOM 841 CB HIS A 112 26.642 3.736 -5.093 1.00 17.12 C +ATOM 842 CG HIS A 112 26.500 2.730 -6.083 1.00 18.91 C +ATOM 843 ND1 HIS A 112 27.696 2.669 -6.792 1.00 20.25 N +ATOM 844 CD2 HIS A 112 25.457 2.082 -6.643 1.00 13.97 C +ATOM 845 CE1 HIS A 112 27.065 1.572 -7.791 1.00 16.16 C +ATOM 846 NE2 HIS A 112 25.728 1.142 -7.624 1.00 16.17 N +ATOM 847 N LEU A 113 26.962 4.473 -1.633 1.00 16.18 N +ATOM 848 CA LEU A 113 27.430 5.708 -0.856 1.00 18.52 C +ATOM 849 C LEU A 113 27.676 5.161 0.490 1.00 15.09 C +ATOM 850 O LEU A 113 26.991 5.652 1.418 1.00 22.00 O +ATOM 851 CB LEU A 113 26.385 6.569 -0.567 1.00 26.60 C +ATOM 852 CG LEU A 113 25.991 7.546 -1.915 1.00 26.91 C +ATOM 853 CD1 LEU A 113 25.025 8.844 -1.799 1.00 38.78 C +ATOM 854 CD2 LEU A 113 27.117 7.882 -2.870 1.00 35.29 C +ATOM 855 N PRO A 114 28.523 4.242 0.795 1.00 18.92 N +ATOM 856 CA PRO A 114 28.714 3.528 2.218 1.00 24.61 C +ATOM 857 C PRO A 114 29.102 4.799 3.218 1.00 23.92 C +ATOM 858 O PRO A 114 28.415 4.826 4.106 1.00 21.99 O +ATOM 859 CB PRO A 114 30.033 2.940 1.849 1.00 23.94 C +ATOM 860 CG PRO A 114 30.698 3.344 0.612 1.00 18.92 C +ATOM 861 CD PRO A 114 29.469 3.904 -0.168 1.00 16.59 C +ATOM 862 N ALA A 115 29.794 5.877 2.767 1.00 18.42 N +ATOM 863 CA ALA A 115 30.159 6.863 3.921 1.00 21.98 C +ATOM 864 C ALA A 115 28.895 7.716 4.285 1.00 22.41 C +ATOM 865 O ALA A 115 28.703 8.192 5.284 1.00 22.94 O +ATOM 866 CB ALA A 115 31.247 7.657 3.369 1.00 30.20 C +ATOM 867 N GLU A 116 28.136 8.035 3.290 1.00 15.58 N +ATOM 868 CA GLU A 116 27.073 9.160 3.429 1.00 17.43 C +ATOM 869 C GLU A 116 25.648 8.548 3.788 1.00 15.97 C +ATOM 870 O GLU A 116 24.768 9.367 4.171 1.00 23.49 O +ATOM 871 CB GLU A 116 26.875 9.750 1.910 1.00 21.21 C +ATOM 872 CG GLU A 116 27.948 10.674 1.482 1.00 24.18 C +ATOM 873 CD GLU A 116 28.950 9.665 0.967 1.00 26.12 C +ATOM 874 OE1 GLU A 116 28.992 8.438 0.543 1.00 28.16 O +ATOM 875 OE2 GLU A 116 30.132 10.301 0.462 1.00 33.82 O +ATOM 876 N PHE A 117 25.414 7.310 3.661 1.00 16.62 N +ATOM 877 CA PHE A 117 24.245 6.614 3.985 1.00 14.17 C +ATOM 878 C PHE A 117 23.918 6.335 5.559 1.00 17.74 C +ATOM 879 O PHE A 117 23.649 5.222 5.819 1.00 19.92 O +ATOM 880 CB PHE A 117 23.936 5.421 3.086 1.00 12.47 C +ATOM 881 CG PHE A 117 22.448 4.906 2.825 1.00 9.61 C +ATOM 882 CD1 PHE A 117 21.681 5.713 2.037 1.00 15.09 C +ATOM 883 CD2 PHE A 117 22.071 3.807 3.568 1.00 15.73 C +ATOM 884 CE1 PHE A 117 20.396 5.197 1.858 1.00 17.90 C +ATOM 885 CE2 PHE A 117 20.593 3.448 3.517 1.00 23.05 C +ATOM 886 CZ PHE A 117 19.914 4.171 2.606 1.00 14.00 C +ATOM 887 N THR A 118 23.856 7.434 6.252 1.00 11.56 N +ATOM 888 CA THR A 118 23.660 7.280 7.655 1.00 10.93 C +ATOM 889 C THR A 118 22.259 6.982 7.820 1.00 15.34 C +ATOM 890 O THR A 118 21.447 7.435 7.051 1.00 14.33 O +ATOM 891 CB THR A 118 23.982 8.621 8.138 1.00 22.78 C +ATOM 892 OG1 THR A 118 23.375 9.780 7.827 1.00 25.00 O +ATOM 893 CG2 THR A 118 25.586 8.842 8.226 1.00 25.00 C +ATOM 894 N PRO A 119 21.833 6.884 9.086 1.00 16.93 N +ATOM 895 CA PRO A 119 20.398 6.708 9.436 1.00 7.97 C +ATOM 896 C PRO A 119 19.633 7.821 9.121 1.00 9.71 C +ATOM 897 O PRO A 119 18.484 7.899 8.632 1.00 13.14 O +ATOM 898 CB PRO A 119 20.352 6.336 10.909 1.00 15.02 C +ATOM 899 CG PRO A 119 21.556 5.500 11.105 1.00 20.08 C +ATOM 900 CD PRO A 119 22.686 6.188 10.125 1.00 23.85 C +ATOM 901 N ALA A 120 20.184 9.026 9.484 1.00 18.30 N +ATOM 902 CA ALA A 120 19.624 10.215 9.304 1.00 20.48 C +ATOM 903 C ALA A 120 19.441 10.650 7.769 1.00 11.11 C +ATOM 904 O ALA A 120 18.342 11.025 7.255 1.00 14.90 O +ATOM 905 CB ALA A 120 20.042 11.527 10.014 1.00 21.25 C +ATOM 906 N VAL A 121 20.278 10.312 7.027 1.00 15.02 N +ATOM 907 CA VAL A 121 20.243 10.488 5.614 1.00 11.64 C +ATOM 908 C VAL A 121 19.214 9.526 4.899 1.00 13.80 C +ATOM 909 O VAL A 121 18.469 9.919 4.066 1.00 15.60 O +ATOM 910 CB VAL A 121 21.606 10.473 4.939 1.00 16.28 C +ATOM 911 CG1 VAL A 121 21.595 10.524 3.309 1.00 17.80 C +ATOM 912 CG2 VAL A 121 22.496 11.659 5.330 1.00 19.30 C +ATOM 913 N HIS A 122 19.312 8.350 5.306 1.00 15.45 N +ATOM 914 CA HIS A 122 18.254 7.136 4.913 1.00 11.57 C +ATOM 915 C HIS A 122 16.950 7.952 5.022 1.00 13.88 C +ATOM 916 O HIS A 122 16.085 7.716 4.230 1.00 13.87 O +ATOM 917 CB HIS A 122 18.754 5.950 5.667 1.00 12.36 C +ATOM 918 CG HIS A 122 17.848 4.887 5.471 1.00 15.49 C +ATOM 919 ND1 HIS A 122 18.318 3.588 6.013 1.00 14.41 N +ATOM 920 CD2 HIS A 122 16.770 4.643 4.716 1.00 16.00 C +ATOM 921 CE1 HIS A 122 17.238 2.617 5.530 1.00 20.76 C +ATOM 922 NE2 HIS A 122 16.304 3.230 4.756 1.00 17.17 N +ATOM 923 N ALA A 123 16.659 8.268 6.248 1.00 12.31 N +ATOM 924 CA ALA A 123 15.409 8.791 6.637 1.00 12.34 C +ATOM 925 C ALA A 123 14.961 9.969 5.694 1.00 12.36 C +ATOM 926 O ALA A 123 13.756 10.012 5.125 1.00 16.22 O +ATOM 927 CB ALA A 123 15.295 9.229 8.074 1.00 18.20 C +ATOM 928 N SER A 124 15.970 10.909 5.411 1.00 11.72 N +ATOM 929 CA SER A 124 15.641 12.024 4.678 1.00 15.71 C +ATOM 930 C SER A 124 15.409 11.594 3.146 1.00 11.97 C +ATOM 931 O SER A 124 14.491 12.176 2.530 1.00 13.78 O +ATOM 932 CB SER A 124 16.719 13.075 4.649 1.00 17.31 C +ATOM 933 OG SER A 124 16.856 13.618 5.975 1.00 19.36 O +ATOM 934 N LEU A 125 16.244 10.663 2.745 1.00 11.45 N +ATOM 935 CA LEU A 125 16.012 10.336 1.348 1.00 9.77 C +ATOM 936 C LEU A 125 14.814 9.607 1.165 1.00 13.87 C +ATOM 937 O LEU A 125 14.134 9.697 0.072 1.00 12.03 O +ATOM 938 CB LEU A 125 17.131 9.446 0.945 1.00 14.61 C +ATOM 939 CG LEU A 125 18.555 9.965 0.565 1.00 15.39 C +ATOM 940 CD1 LEU A 125 19.590 8.976 0.528 1.00 26.84 C +ATOM 941 CD2 LEU A 125 18.455 10.851 -0.577 1.00 19.46 C +ATOM 942 N ASP A 126 14.277 8.735 2.034 1.00 13.89 N +ATOM 943 CA ASP A 126 13.042 7.997 2.040 1.00 14.28 C +ATOM 944 C ASP A 126 11.977 8.930 1.898 1.00 13.60 C +ATOM 945 O ASP A 126 10.911 8.959 1.188 1.00 12.25 O +ATOM 946 CB ASP A 126 12.901 7.025 3.127 1.00 9.77 C +ATOM 947 CG ASP A 126 11.751 5.958 3.086 1.00 17.51 C +ATOM 948 OD1 ASP A 126 11.597 5.517 1.933 1.00 22.67 O +ATOM 949 OD2 ASP A 126 10.812 6.013 3.738 1.00 20.83 O +ATOM 950 N LYS A 127 11.945 10.077 2.732 1.00 11.87 N +ATOM 951 CA LYS A 127 11.051 11.143 2.756 1.00 11.94 C +ATOM 952 C LYS A 127 11.080 11.794 1.382 1.00 16.34 C +ATOM 953 O LYS A 127 9.925 12.173 0.922 1.00 15.26 O +ATOM 954 CB LYS A 127 11.131 11.830 4.210 1.00 27.23 C +ATOM 955 CG LYS A 127 10.719 12.405 4.298 1.00 41.38 C +ATOM 956 CD LYS A 127 10.893 12.716 6.240 1.00 22.35 C +ATOM 957 CE LYS A 127 10.245 13.990 6.093 1.00 24.85 C +ATOM 958 NZ LYS A 127 10.431 14.893 7.319 1.00 27.43 N +ATOM 959 N PHE A 128 12.109 12.155 0.978 1.00 9.60 N +ATOM 960 CA PHE A 128 12.219 12.896 -0.315 1.00 9.45 C +ATOM 961 C PHE A 128 11.648 12.055 -1.437 1.00 11.35 C +ATOM 962 O PHE A 128 10.825 12.624 -2.222 1.00 13.72 O +ATOM 963 CB PHE A 128 13.691 13.118 -0.597 1.00 10.04 C +ATOM 964 CG PHE A 128 13.845 13.645 -2.016 1.00 12.71 C +ATOM 965 CD1 PHE A 128 13.433 15.022 -2.350 1.00 22.47 C +ATOM 966 CD2 PHE A 128 14.442 12.953 -2.821 1.00 15.10 C +ATOM 967 CE1 PHE A 128 13.646 15.369 -3.684 1.00 21.90 C +ATOM 968 CE2 PHE A 128 15.006 13.229 -4.197 1.00 24.41 C +ATOM 969 CZ PHE A 128 14.491 14.511 -4.397 1.00 19.00 C +ATOM 970 N LEU A 129 11.863 10.701 -1.438 1.00 10.92 N +ATOM 971 CA LEU A 129 11.247 9.983 -2.588 1.00 8.59 C +ATOM 972 C LEU A 129 9.888 9.762 -2.445 1.00 15.58 C +ATOM 973 O LEU A 129 9.123 9.780 -3.420 1.00 12.33 O +ATOM 974 CB LEU A 129 11.971 8.639 -2.709 1.00 11.08 C +ATOM 975 CG LEU A 129 13.553 8.574 -3.067 1.00 16.43 C +ATOM 976 CD1 LEU A 129 14.162 7.385 -2.920 1.00 21.21 C +ATOM 977 CD2 LEU A 129 13.509 9.197 -4.648 1.00 24.11 C +ATOM 978 N ALA A 130 9.315 9.777 -1.285 1.00 13.59 N +ATOM 979 CA ALA A 130 7.861 9.751 -0.992 1.00 12.80 C +ATOM 980 C ALA A 130 7.198 11.000 -1.487 1.00 13.10 C +ATOM 981 O ALA A 130 6.124 11.123 -2.087 1.00 16.72 O +ATOM 982 CB ALA A 130 7.566 9.549 0.507 1.00 11.70 C +ATOM 983 N SER A 131 7.929 12.205 -1.316 1.00 12.15 N +ATOM 984 CA SER A 131 7.318 13.421 -1.788 1.00 17.97 C +ATOM 985 C SER A 131 7.403 13.484 -3.383 1.00 14.23 C +ATOM 986 O SER A 131 6.313 14.078 -3.819 1.00 17.89 O +ATOM 987 CB SER A 131 8.230 14.652 -1.217 1.00 19.09 C +ATOM 988 OG SER A 131 7.985 14.599 -0.027 1.00 34.89 O +ATOM 989 N VAL A 132 8.509 13.092 -3.817 1.00 11.02 N +ATOM 990 CA VAL A 132 8.474 13.187 -5.332 1.00 13.44 C +ATOM 991 C VAL A 132 7.379 12.239 -5.739 1.00 13.26 C +ATOM 992 O VAL A 132 6.574 12.766 -6.727 1.00 14.28 O +ATOM 993 CB VAL A 132 9.676 12.669 -5.775 1.00 17.47 C +ATOM 994 CG1 VAL A 132 9.886 12.366 -7.268 1.00 23.96 C +ATOM 995 CG2 VAL A 132 10.893 13.605 -5.556 1.00 15.24 C +ATOM 996 N SER A 133 7.084 11.034 -5.279 1.00 11.44 N +ATOM 997 CA SER A 133 6.003 10.145 -5.616 1.00 14.28 C +ATOM 998 C SER A 133 4.653 10.824 -5.346 1.00 22.70 C +ATOM 999 O SER A 133 3.857 10.661 -6.312 1.00 18.73 O +ATOM 1000 CB SER A 133 6.206 8.913 -4.797 1.00 14.07 C +ATOM 1001 OG SER A 133 7.326 8.157 -5.136 1.00 16.41 O +ATOM 1002 N THR A 134 4.415 11.603 -4.390 1.00 14.75 N +ATOM 1003 CA THR A 134 3.185 12.188 -4.293 1.00 11.93 C +ATOM 1004 C THR A 134 3.018 13.180 -5.135 1.00 12.33 C +ATOM 1005 O THR A 134 1.906 13.411 -5.657 1.00 15.87 O +ATOM 1006 CB THR A 134 3.337 12.691 -2.840 1.00 23.98 C +ATOM 1007 OG1 THR A 134 3.226 11.963 -1.926 1.00 24.65 O +ATOM 1008 CG2 THR A 134 2.127 13.740 -2.527 1.00 35.48 C +ATOM 1009 N VAL A 135 3.914 14.063 -5.633 1.00 16.85 N +ATOM 1010 CA VAL A 135 3.773 15.122 -6.561 1.00 15.02 C +ATOM 1011 C VAL A 135 3.692 14.401 -7.901 1.00 18.49 C +ATOM 1012 O VAL A 135 2.676 14.854 -8.623 1.00 17.84 O +ATOM 1013 CB VAL A 135 5.097 16.044 -6.643 1.00 21.41 C +ATOM 1014 CG1 VAL A 135 5.125 16.829 -7.908 1.00 28.88 C +ATOM 1015 CG2 VAL A 135 5.265 16.767 -5.381 1.00 18.54 C +ATOM 1016 N LEU A 136 4.254 13.322 -8.291 1.00 15.13 N +ATOM 1017 CA LEU A 136 3.951 12.616 -9.538 1.00 14.14 C +ATOM 1018 C LEU A 136 2.480 12.083 -9.717 1.00 16.82 C +ATOM 1019 O LEU A 136 2.071 11.725 -10.914 1.00 16.56 O +ATOM 1020 CB LEU A 136 5.082 11.671 -9.878 1.00 19.05 C +ATOM 1021 CG LEU A 136 6.468 12.174 -10.486 1.00 19.99 C +ATOM 1022 CD1 LEU A 136 7.357 11.046 -10.401 1.00 23.33 C +ATOM 1023 CD2 LEU A 136 6.502 13.371 -11.272 1.00 20.84 C +ATOM 1024 N THR A 137 1.951 11.790 -8.618 1.00 14.14 N +ATOM 1025 CA THR A 137 0.509 10.996 -8.584 1.00 17.11 C +ATOM 1026 C THR A 137 -0.385 12.070 -8.267 1.00 15.43 C +ATOM 1027 O THR A 137 -1.637 11.700 -8.230 1.00 15.99 O +ATOM 1028 CB THR A 137 0.560 9.964 -6.978 1.00 17.27 C +ATOM 1029 OG1 THR A 137 1.278 8.939 -8.074 1.00 28.37 O +ATOM 1030 CG2 THR A 137 1.320 10.263 -6.388 1.00 47.04 C +ATOM 1031 N SER A 138 -0.164 13.266 -8.168 1.00 16.91 N +ATOM 1032 CA SER A 138 -0.947 14.363 -7.753 1.00 23.51 C +ATOM 1033 C SER A 138 -2.266 14.743 -8.597 1.00 23.60 C +ATOM 1034 O SER A 138 -3.250 14.937 -8.017 1.00 27.80 O +ATOM 1035 CB SER A 138 0.046 16.222 -7.976 1.00 22.76 C +ATOM 1036 OG SER A 138 -0.261 15.617 -6.862 1.00 45.85 O +ATOM 1037 N LYS A 139 -2.026 14.453 -9.807 1.00 19.13 N +ATOM 1038 CA LYS A 139 -3.058 14.995 -10.892 1.00 21.43 C +ATOM 1039 C LYS A 139 -3.804 13.721 -11.284 1.00 18.35 C +ATOM 1040 O LYS A 139 -4.384 13.814 -12.266 1.00 22.16 O +ATOM 1041 CB LYS A 139 -2.474 15.794 -11.975 1.00 24.13 C +ATOM 1042 CG LYS A 139 -1.839 16.973 -11.481 1.00 28.98 C +ATOM 1043 CD LYS A 139 -0.886 17.619 -12.549 1.00 33.18 C +ATOM 1044 CE LYS A 139 -0.495 18.885 -12.192 1.00 52.82 C +ATOM 1045 NZ LYS A 139 0.788 19.253 -13.621 1.00 55.02 N +ATOM 1046 N TYR A 140 -3.715 12.530 -10.777 1.00 17.12 N +ATOM 1047 CA TYR A 140 -4.275 11.374 -11.162 1.00 22.48 C +ATOM 1048 C TYR A 140 -5.830 11.291 -11.160 1.00 18.75 C +ATOM 1049 O TYR A 140 -6.423 10.704 -12.162 1.00 22.47 O +ATOM 1050 CB TYR A 140 -3.896 10.028 -10.426 1.00 23.15 C +ATOM 1051 CG TYR A 140 -2.655 9.444 -11.006 1.00 15.57 C +ATOM 1052 CD1 TYR A 140 -2.495 7.940 -11.096 1.00 16.98 C +ATOM 1053 CD2 TYR A 140 -1.471 10.093 -11.392 1.00 18.11 C +ATOM 1054 CE1 TYR A 140 -1.296 7.400 -11.625 1.00 19.97 C +ATOM 1055 CE2 TYR A 140 -0.267 9.379 -11.806 1.00 14.94 C +ATOM 1056 CZ TYR A 140 -0.246 7.948 -11.911 1.00 17.89 C +ATOM 1057 OH TYR A 140 0.808 7.493 -12.283 1.00 18.05 O +ATOM 1058 N ARG A 141 -6.399 12.034 -10.391 1.00 17.59 N +ATOM 1059 CA ARG A 141 -8.000 12.137 -10.191 1.00 24.58 C +ATOM 1060 C ARG A 141 -8.327 13.610 -9.572 1.00 44.44 C +ATOM 1061 O ARG A 141 -7.492 14.016 -8.882 1.00 21.81 O +ATOM 1062 CB ARG A 141 -8.478 10.914 -9.869 1.00 33.40 C +ATOM 1063 CG ARG A 141 -8.068 10.650 -8.145 1.00 17.28 C +ATOM 1064 CD ARG A 141 -9.053 9.446 -7.867 1.00 14.66 C +ATOM 1065 NE ARG A 141 -8.372 9.269 -6.610 1.00 22.73 N +ATOM 1066 CZ ARG A 141 -9.233 8.420 -5.781 1.00 26.88 C +ATOM 1067 NH1 ARG A 141 -10.147 7.455 -6.079 1.00 23.24 N +ATOM 1068 NH2 ARG A 141 -8.672 8.328 -4.506 1.00 33.34 N +ATOM 1069 OXT ARG A 141 -9.474 13.682 -9.742 1.00 31.52 O +TER 1070 ARG A 141 +ATOM 1071 N VAL B 1 9.223 -20.614 1.365 1.00 46.08 N +ATOM 1072 CA VAL B 1 8.694 -20.026 -0.123 1.00 70.96 C +ATOM 1073 C VAL B 1 9.668 -21.068 -1.645 1.00 69.74 C +ATOM 1074 O VAL B 1 9.370 -22.612 -0.994 1.00 71.82 O +ATOM 1075 CB VAL B 1 9.283 -18.281 -0.381 1.00 59.18 C +ATOM 1076 CG1 VAL B 1 7.449 -17.518 -0.791 1.00 57.89 C +ATOM 1077 CG2 VAL B 1 10.416 -18.038 0.066 1.00 44.20 C +ATOM 1078 N HIS B 2 9.270 -20.650 -2.180 1.00 53.55 N +ATOM 1079 CA HIS B 2 10.245 -21.378 -3.143 1.00 62.62 C +ATOM 1080 C HIS B 2 11.419 -20.331 -4.099 1.00 51.71 C +ATOM 1081 O HIS B 2 11.252 -19.250 -5.024 1.00 48.42 O +ATOM 1082 CB HIS B 2 9.225 -20.955 -4.825 1.00 62.58 C +ATOM 1083 CG HIS B 2 9.378 -21.082 -5.634 1.00 73.96 C +ATOM 1084 ND1 HIS B 2 9.645 -19.683 -6.869 1.00 80.12 N +ATOM 1085 CD2 HIS B 2 10.077 -22.950 -6.116 1.00 63.02 C +ATOM 1086 CE1 HIS B 2 10.672 -21.165 -8.087 1.00 76.40 C +ATOM 1087 NE2 HIS B 2 11.344 -22.584 -7.734 1.00 62.86 N +ATOM 1088 N LEU B 3 12.365 -20.722 -3.649 1.00 43.89 N +ATOM 1089 CA LEU B 3 13.611 -20.183 -4.477 1.00 43.79 C +ATOM 1090 C LEU B 3 14.557 -21.356 -5.125 1.00 32.77 C +ATOM 1091 O LEU B 3 14.340 -22.536 -4.780 1.00 41.84 O +ATOM 1092 CB LEU B 3 14.522 -19.852 -2.996 1.00 28.80 C +ATOM 1093 CG LEU B 3 13.980 -18.598 -2.183 1.00 28.70 C +ATOM 1094 CD1 LEU B 3 14.846 -18.445 -1.199 1.00 63.39 C +ATOM 1095 CD2 LEU B 3 14.509 -17.517 -3.001 1.00 32.10 C +ATOM 1096 N THR B 4 14.840 -20.756 -6.280 1.00 42.35 N +ATOM 1097 CA THR B 4 15.864 -21.825 -6.744 1.00 41.74 C +ATOM 1098 C THR B 4 16.873 -22.187 -6.071 1.00 36.91 C +ATOM 1099 O THR B 4 17.370 -21.395 -5.237 1.00 31.57 O +ATOM 1100 CB THR B 4 15.949 -21.050 -8.090 1.00 38.91 C +ATOM 1101 OG1 THR B 4 16.952 -20.015 -8.082 1.00 52.85 O +ATOM 1102 CG2 THR B 4 14.967 -20.467 -9.056 1.00 56.94 C +ATOM 1103 N PRO B 5 17.854 -23.111 -6.524 1.00 45.56 N +ATOM 1104 CA PRO B 5 18.731 -23.731 -6.023 1.00 47.54 C +ATOM 1105 C PRO B 5 19.935 -22.444 -5.760 1.00 37.80 C +ATOM 1106 O PRO B 5 20.658 -22.372 -4.793 1.00 33.06 O +ATOM 1107 CB PRO B 5 19.534 -24.900 -6.291 1.00 62.12 C +ATOM 1108 CG PRO B 5 18.296 -25.318 -7.157 1.00 42.55 C +ATOM 1109 CD PRO B 5 17.186 -24.560 -7.385 1.00 48.08 C +ATOM 1110 N GLU B 6 19.819 -21.815 -6.978 1.00 27.00 N +ATOM 1111 CA GLU B 6 20.898 -20.991 -7.230 1.00 34.37 C +ATOM 1112 C GLU B 6 20.521 -19.635 -6.155 1.00 23.02 C +ATOM 1113 O GLU B 6 21.687 -18.920 -5.617 1.00 28.54 O +ATOM 1114 CB GLU B 6 20.842 -20.165 -8.661 1.00 37.20 C +ATOM 1115 CG GLU B 6 20.141 -19.957 -9.396 1.00 66.65 C +ATOM 1116 CD GLU B 6 19.153 -21.597 -10.181 1.00 60.44 C +ATOM 1117 OE1 GLU B 6 20.183 -22.830 -9.731 1.00 63.16 O +ATOM 1118 OE2 GLU B 6 18.299 -21.975 -10.007 1.00 70.62 O +ATOM 1119 N GLU B 7 19.362 -19.413 -5.964 1.00 31.47 N +ATOM 1120 CA GLU B 7 18.560 -18.284 -5.124 1.00 34.08 C +ATOM 1121 C GLU B 7 19.160 -18.789 -3.682 1.00 21.49 C +ATOM 1122 O GLU B 7 19.620 -17.847 -3.008 1.00 27.04 O +ATOM 1123 CB GLU B 7 17.625 -18.097 -5.359 1.00 35.55 C +ATOM 1124 CG GLU B 7 17.103 -17.196 -6.791 1.00 33.74 C +ATOM 1125 CD GLU B 7 15.759 -16.911 -6.659 1.00 31.89 C +ATOM 1126 OE1 GLU B 7 15.476 -15.756 -7.225 1.00 52.51 O +ATOM 1127 OE2 GLU B 7 14.748 -17.803 -6.419 1.00 32.56 O +ATOM 1128 N LYS B 8 18.747 -19.865 -3.237 1.00 26.08 N +ATOM 1129 CA LYS B 8 19.026 -20.305 -2.016 1.00 32.23 C +ATOM 1130 C LYS B 8 20.466 -20.216 -1.796 1.00 26.59 C +ATOM 1131 O LYS B 8 21.162 -19.731 -0.601 1.00 26.11 O +ATOM 1132 CB LYS B 8 18.395 -21.925 -1.875 1.00 36.34 C +ATOM 1133 CG LYS B 8 18.802 -22.252 -1.182 1.00 64.20 C +ATOM 1134 CD LYS B 8 18.769 -23.771 -0.248 1.00 73.64 C +ATOM 1135 CE LYS B 8 19.461 -24.137 0.849 1.00 79.30 C +ATOM 1136 NZ LYS B 8 19.874 -26.365 1.034 1.00 66.73 N +ATOM 1137 N SER B 9 21.467 -20.675 -2.533 1.00 23.88 N +ATOM 1138 CA SER B 9 22.559 -20.677 -2.426 1.00 36.76 C +ATOM 1139 C SER B 9 23.490 -19.070 -2.230 1.00 37.61 C +ATOM 1140 O SER B 9 24.284 -18.831 -1.430 1.00 28.84 O +ATOM 1141 CB SER B 9 23.619 -21.853 -3.256 1.00 36.63 C +ATOM 1142 OG SER B 9 23.958 -20.627 -4.033 1.00 64.02 O +ATOM 1143 N ALA B 10 22.719 -18.196 -3.034 1.00 21.54 N +ATOM 1144 CA ALA B 10 23.262 -17.029 -2.963 1.00 32.77 C +ATOM 1145 C ALA B 10 22.792 -16.202 -1.459 1.00 23.64 C +ATOM 1146 O ALA B 10 23.628 -15.408 -0.898 1.00 26.26 O +ATOM 1147 CB ALA B 10 22.504 -16.176 -3.856 1.00 30.88 C +ATOM 1148 N VAL B 11 21.589 -16.575 -0.940 1.00 22.75 N +ATOM 1149 CA VAL B 11 21.174 -16.108 0.417 1.00 18.12 C +ATOM 1150 C VAL B 11 22.242 -16.512 1.434 1.00 18.13 C +ATOM 1151 O VAL B 11 22.655 -15.680 2.245 1.00 19.40 O +ATOM 1152 CB VAL B 11 19.853 -16.542 0.518 1.00 19.48 C +ATOM 1153 CG1 VAL B 11 19.403 -16.415 1.946 1.00 26.15 C +ATOM 1154 CG2 VAL B 11 18.815 -15.702 -0.276 1.00 23.37 C +ATOM 1155 N THR B 12 22.386 -17.775 1.358 1.00 19.01 N +ATOM 1156 CA THR B 12 23.153 -18.592 2.377 1.00 25.04 C +ATOM 1157 C THR B 12 24.569 -18.098 2.437 1.00 20.68 C +ATOM 1158 O THR B 12 25.254 -17.692 3.335 1.00 23.87 O +ATOM 1159 CB THR B 12 23.196 -20.284 2.185 1.00 42.63 C +ATOM 1160 OG1 THR B 12 22.010 -20.433 2.444 1.00 42.78 O +ATOM 1161 CG2 THR B 12 23.729 -20.348 1.974 1.00 67.38 C +ATOM 1162 N ALA B 13 25.190 -17.913 1.267 1.00 22.79 N +ATOM 1163 CA ALA B 13 26.401 -17.387 1.166 1.00 26.66 C +ATOM 1164 C ALA B 13 26.828 -16.135 1.582 1.00 26.26 C +ATOM 1165 O ALA B 13 27.614 -15.809 2.378 1.00 27.07 O +ATOM 1166 CB ALA B 13 26.857 -17.378 -0.445 1.00 26.35 C +ATOM 1167 N LEU B 14 25.928 -14.999 1.236 1.00 15.70 N +ATOM 1168 CA LEU B 14 26.092 -13.737 1.994 1.00 15.10 C +ATOM 1169 C LEU B 14 25.996 -13.791 3.419 1.00 17.25 C +ATOM 1170 O LEU B 14 26.440 -13.013 4.127 1.00 15.43 O +ATOM 1171 CB LEU B 14 25.023 -12.816 1.145 1.00 16.82 C +ATOM 1172 CG LEU B 14 25.284 -11.388 1.257 1.00 27.27 C +ATOM 1173 CD1 LEU B 14 26.470 -10.984 0.911 1.00 40.43 C +ATOM 1174 CD2 LEU B 14 23.923 -10.655 1.151 1.00 24.81 C +ATOM 1175 N TRP B 15 24.847 -14.542 3.847 1.00 17.75 N +ATOM 1176 CA TRP B 15 24.543 -14.533 5.293 1.00 20.73 C +ATOM 1177 C TRP B 15 25.779 -15.040 6.144 1.00 17.66 C +ATOM 1178 O TRP B 15 25.791 -14.500 7.295 1.00 18.75 O +ATOM 1179 CB TRP B 15 23.337 -15.255 5.477 1.00 17.11 C +ATOM 1180 CG TRP B 15 22.785 -14.972 6.964 1.00 17.91 C +ATOM 1181 CD1 TRP B 15 22.809 -15.647 8.020 1.00 21.87 C +ATOM 1182 CD2 TRP B 15 21.992 -13.854 7.213 1.00 17.58 C +ATOM 1183 NE1 TRP B 15 22.135 -15.153 9.079 1.00 18.04 N +ATOM 1184 CE2 TRP B 15 21.659 -13.824 8.669 1.00 16.29 C +ATOM 1185 CE3 TRP B 15 21.610 -12.684 6.475 1.00 16.29 C +ATOM 1186 CZ2 TRP B 15 20.847 -12.810 9.252 1.00 25.87 C +ATOM 1187 CZ3 TRP B 15 20.839 -11.689 7.176 1.00 17.96 C +ATOM 1188 CH2 TRP B 15 20.450 -11.898 8.453 1.00 24.12 C +ATOM 1189 N GLY B 16 26.491 -15.885 5.456 1.00 18.59 N +ATOM 1190 CA GLY B 16 27.793 -16.367 6.203 1.00 18.72 C +ATOM 1191 C GLY B 16 28.640 -15.293 6.479 1.00 24.14 C +ATOM 1192 O GLY B 16 29.526 -15.462 7.418 1.00 24.08 O +ATOM 1193 N LYS B 17 28.533 -14.214 5.902 1.00 16.20 N +ATOM 1194 CA LYS B 17 29.341 -13.100 6.055 1.00 17.17 C +ATOM 1195 C LYS B 17 28.732 -12.165 6.877 1.00 17.84 C +ATOM 1196 O LYS B 17 29.459 -11.044 7.345 1.00 23.03 O +ATOM 1197 CB LYS B 17 29.636 -12.212 4.866 1.00 27.63 C +ATOM 1198 CG LYS B 17 30.260 -13.332 3.793 1.00 26.84 C +ATOM 1199 CD LYS B 17 30.681 -12.758 2.663 1.00 36.92 C +ATOM 1200 CE LYS B 17 31.201 -13.748 1.394 1.00 48.09 C +ATOM 1201 NZ LYS B 17 31.749 -12.471 0.760 1.00 51.60 N +ATOM 1202 N VAL B 18 27.632 -12.163 7.561 1.00 19.79 N +ATOM 1203 CA VAL B 18 26.839 -11.228 8.296 1.00 15.59 C +ATOM 1204 C VAL B 18 27.221 -11.355 9.806 1.00 24.20 C +ATOM 1205 O VAL B 18 27.181 -12.396 10.461 1.00 22.49 O +ATOM 1206 CB VAL B 18 25.375 -11.611 8.249 1.00 13.43 C +ATOM 1207 CG1 VAL B 18 24.680 -10.797 9.203 1.00 20.38 C +ATOM 1208 CG2 VAL B 18 25.124 -10.816 6.753 1.00 25.54 C +ATOM 1209 N ASN B 19 27.508 -10.243 10.525 1.00 20.52 N +ATOM 1210 CA ASN B 19 27.647 -10.334 12.056 1.00 15.58 C +ATOM 1211 C ASN B 19 26.161 -10.008 12.553 1.00 13.56 C +ATOM 1212 O ASN B 19 25.706 -8.798 12.411 1.00 14.77 O +ATOM 1213 CB ASN B 19 28.532 -9.065 12.579 1.00 26.08 C +ATOM 1214 CG ASN B 19 28.340 -8.916 14.065 1.00 29.11 C +ATOM 1215 OD1 ASN B 19 27.732 -9.412 14.784 1.00 27.77 O +ATOM 1216 ND2 ASN B 19 29.702 -8.401 14.383 1.00 33.88 N +ATOM 1217 N VAL B 20 25.621 -11.024 13.009 1.00 18.83 N +ATOM 1218 CA VAL B 20 24.087 -11.031 13.284 1.00 19.05 C +ATOM 1219 C VAL B 20 23.851 -10.149 14.214 1.00 20.02 C +ATOM 1220 O VAL B 20 22.901 -9.142 14.245 1.00 17.50 O +ATOM 1221 CB VAL B 20 23.694 -12.517 13.598 1.00 25.16 C +ATOM 1222 CG1 VAL B 20 22.215 -12.356 13.912 1.00 29.32 C +ATOM 1223 CG2 VAL B 20 23.748 -13.338 12.333 1.00 21.26 C +ATOM 1224 N ASP B 21 24.547 -9.725 15.239 1.00 19.64 N +ATOM 1225 CA ASP B 21 24.274 -8.816 16.395 1.00 20.67 C +ATOM 1226 C ASP B 21 24.562 -7.492 15.870 1.00 18.97 C +ATOM 1227 O ASP B 21 23.606 -6.622 16.080 1.00 21.29 O +ATOM 1228 CB ASP B 21 25.312 -9.108 17.415 1.00 34.10 C +ATOM 1229 CG ASP B 21 25.029 -10.570 18.492 1.00 53.28 C +ATOM 1230 OD1 ASP B 21 23.848 -10.805 18.323 1.00 40.86 O +ATOM 1231 OD2 ASP B 21 25.861 -10.240 19.644 1.00 50.69 O +ATOM 1232 N GLU B 22 25.464 -7.225 14.999 1.00 17.77 N +ATOM 1233 CA GLU B 22 25.739 -5.702 14.538 1.00 21.32 C +ATOM 1234 C GLU B 22 24.523 -5.287 13.546 1.00 17.53 C +ATOM 1235 O GLU B 22 23.957 -4.290 13.703 1.00 21.51 O +ATOM 1236 CB GLU B 22 27.018 -5.846 13.812 1.00 24.38 C +ATOM 1237 CG GLU B 22 27.214 -4.730 13.144 1.00 38.60 C +ATOM 1238 CD GLU B 22 28.169 -3.862 11.812 1.00 75.75 C +ATOM 1239 OE1 GLU B 22 28.555 -5.400 11.034 1.00 53.89 O +ATOM 1240 OE2 GLU B 22 29.808 -4.745 12.821 1.00 65.14 O +ATOM 1241 N VAL B 23 24.347 -6.274 12.578 1.00 19.15 N +ATOM 1242 CA VAL B 23 23.303 -6.039 11.518 1.00 16.52 C +ATOM 1243 C VAL B 23 21.857 -5.985 12.342 1.00 19.25 C +ATOM 1244 O VAL B 23 20.964 -5.128 11.822 1.00 16.10 O +ATOM 1245 CB VAL B 23 23.294 -7.123 10.403 1.00 21.83 C +ATOM 1246 CG1 VAL B 23 22.065 -7.019 9.672 1.00 26.98 C +ATOM 1247 CG2 VAL B 23 24.689 -6.722 9.825 1.00 24.14 C +ATOM 1248 N GLY B 24 21.684 -6.753 13.284 1.00 11.83 N +ATOM 1249 CA GLY B 24 20.512 -6.666 14.003 1.00 15.96 C +ATOM 1250 C GLY B 24 20.131 -5.391 14.689 1.00 15.32 C +ATOM 1251 O GLY B 24 19.133 -4.694 14.628 1.00 13.59 O +ATOM 1252 N GLY B 25 21.093 -4.853 15.395 1.00 19.52 N +ATOM 1253 CA GLY B 25 21.202 -3.549 15.972 1.00 15.79 C +ATOM 1254 C GLY B 25 20.921 -2.401 14.917 1.00 12.82 C +ATOM 1255 O GLY B 25 20.200 -1.481 15.135 1.00 18.05 O +ATOM 1256 N GLU B 26 21.598 -2.510 13.849 1.00 12.16 N +ATOM 1257 CA GLU B 26 21.567 -1.493 12.736 1.00 11.32 C +ATOM 1258 C GLU B 26 20.042 -1.534 12.176 1.00 13.79 C +ATOM 1259 O GLU B 26 19.605 -0.362 11.944 1.00 14.59 O +ATOM 1260 CB GLU B 26 22.564 -1.757 11.778 1.00 13.18 C +ATOM 1261 CG GLU B 26 23.022 -0.301 10.974 1.00 29.90 C +ATOM 1262 CD GLU B 26 23.535 0.894 10.508 1.00 51.34 C +ATOM 1263 OE1 GLU B 26 23.767 -0.209 7.916 1.00 54.93 O +ATOM 1264 OE2 GLU B 26 24.549 -1.302 10.298 1.00 37.93 O +ATOM 1265 N ALA B 27 19.659 -2.698 11.904 1.00 13.14 N +ATOM 1266 CA ALA B 27 18.339 -2.622 11.197 1.00 9.05 C +ATOM 1267 C ALA B 27 17.188 -2.188 12.064 1.00 10.83 C +ATOM 1268 O ALA B 27 16.247 -1.538 11.698 1.00 11.12 O +ATOM 1269 CB ALA B 27 18.124 -4.039 10.850 1.00 14.07 C +ATOM 1270 N LEU B 28 17.097 -2.654 13.364 1.00 11.19 N +ATOM 1271 CA LEU B 28 16.289 -2.225 14.403 1.00 14.47 C +ATOM 1272 C LEU B 28 16.216 -0.842 14.498 1.00 12.13 C +ATOM 1273 O LEU B 28 15.292 -0.024 14.599 1.00 12.32 O +ATOM 1274 CB LEU B 28 16.089 -3.101 15.599 1.00 9.21 C +ATOM 1275 CG LEU B 28 14.602 -2.613 16.344 1.00 20.67 C +ATOM 1276 CD1 LEU B 28 13.558 -3.287 15.723 1.00 17.60 C +ATOM 1277 CD2 LEU B 28 15.036 -3.349 17.556 1.00 34.99 C +ATOM 1278 N GLY B 29 17.488 -0.244 14.733 1.00 10.00 N +ATOM 1279 CA GLY B 29 17.555 1.107 14.942 1.00 15.27 C +ATOM 1280 C GLY B 29 17.147 1.979 13.686 1.00 10.88 C +ATOM 1281 O GLY B 29 16.406 2.945 13.855 1.00 14.42 O +ATOM 1282 N ARG B 30 17.503 1.503 12.514 1.00 11.39 N +ATOM 1283 CA ARG B 30 17.138 2.392 11.410 1.00 14.49 C +ATOM 1284 C ARG B 30 15.517 2.168 11.180 1.00 10.79 C +ATOM 1285 O ARG B 30 14.997 3.218 10.749 1.00 13.81 O +ATOM 1286 CB ARG B 30 17.883 1.854 10.134 1.00 19.88 C +ATOM 1287 CG ARG B 30 19.264 2.550 9.848 1.00 16.11 C +ATOM 1288 CD ARG B 30 19.816 1.919 8.615 1.00 14.71 C +ATOM 1289 NE ARG B 30 21.229 2.190 8.567 1.00 21.05 N +ATOM 1290 CZ ARG B 30 21.899 3.048 7.943 1.00 18.56 C +ATOM 1291 NH1 ARG B 30 21.169 3.859 7.078 1.00 19.13 N +ATOM 1292 NH2 ARG B 30 23.126 3.441 7.930 1.00 19.91 N +ATOM 1293 N LEU B 31 14.954 1.034 11.546 1.00 12.04 N +ATOM 1294 CA LEU B 31 13.557 0.954 11.581 1.00 10.54 C +ATOM 1295 C LEU B 31 13.079 2.129 12.312 1.00 13.93 C +ATOM 1296 O LEU B 31 12.053 2.837 11.993 1.00 14.67 O +ATOM 1297 CB LEU B 31 12.999 -0.394 11.933 1.00 12.99 C +ATOM 1298 CG LEU B 31 11.476 -0.524 12.150 1.00 10.97 C +ATOM 1299 CD1 LEU B 31 11.036 -0.535 10.722 1.00 19.46 C +ATOM 1300 CD2 LEU B 31 11.106 -1.700 13.040 1.00 13.98 C +ATOM 1301 N LEU B 32 13.531 2.329 13.530 1.00 10.13 N +ATOM 1302 CA LEU B 32 12.882 3.156 14.401 1.00 11.52 C +ATOM 1303 C LEU B 32 13.149 4.616 14.057 1.00 12.11 C +ATOM 1304 O LEU B 32 12.467 5.633 14.438 1.00 15.31 O +ATOM 1305 CB LEU B 32 13.453 3.038 15.919 1.00 11.75 C +ATOM 1306 CG LEU B 32 12.805 1.940 16.581 1.00 16.68 C +ATOM 1307 CD1 LEU B 32 12.104 0.941 16.260 1.00 22.26 C +ATOM 1308 CD2 LEU B 32 13.566 1.603 17.835 1.00 28.90 C +ATOM 1309 N VAL B 33 14.250 4.899 13.351 1.00 10.32 N +ATOM 1310 CA VAL B 33 14.628 6.174 12.868 1.00 11.98 C +ATOM 1311 C VAL B 33 13.704 6.548 11.535 1.00 12.10 C +ATOM 1312 O VAL B 33 13.345 7.771 11.481 1.00 13.28 O +ATOM 1313 CB VAL B 33 16.139 6.304 12.522 1.00 14.87 C +ATOM 1314 CG1 VAL B 33 16.518 7.591 11.880 1.00 11.54 C +ATOM 1315 CG2 VAL B 33 16.745 6.275 13.788 1.00 16.57 C +ATOM 1316 N VAL B 34 13.820 5.650 10.638 1.00 13.66 N +ATOM 1317 CA VAL B 34 13.156 6.096 9.258 1.00 9.59 C +ATOM 1318 C VAL B 34 11.591 6.042 9.368 1.00 8.72 C +ATOM 1319 O VAL B 34 11.052 6.910 8.763 1.00 9.42 O +ATOM 1320 CB VAL B 34 13.681 5.042 8.326 1.00 9.09 C +ATOM 1321 CG1 VAL B 34 13.079 5.328 6.958 1.00 9.82 C +ATOM 1322 CG2 VAL B 34 15.076 5.133 8.253 1.00 17.00 C +ATOM 1323 N TYR B 35 11.088 5.155 10.260 1.00 10.80 N +ATOM 1324 CA TYR B 35 9.613 5.019 10.405 1.00 13.73 C +ATOM 1325 C TYR B 35 9.249 5.241 11.959 1.00 14.87 C +ATOM 1326 O TYR B 35 9.056 4.156 12.514 1.00 16.30 O +ATOM 1327 CB TYR B 35 9.162 3.628 9.962 1.00 14.97 C +ATOM 1328 CG TYR B 35 9.590 3.397 8.554 1.00 16.57 C +ATOM 1329 CD1 TYR B 35 9.059 4.138 7.400 1.00 17.11 C +ATOM 1330 CD2 TYR B 35 10.495 2.446 8.096 1.00 21.02 C +ATOM 1331 CE1 TYR B 35 9.473 3.862 6.085 1.00 16.53 C +ATOM 1332 CE2 TYR B 35 10.987 2.455 6.905 1.00 21.07 C +ATOM 1333 CZ TYR B 35 10.434 2.948 5.860 1.00 16.91 C +ATOM 1334 OH TYR B 35 11.073 2.851 4.537 1.00 21.07 O +ATOM 1335 N PRO B 36 9.337 6.384 12.381 1.00 18.32 N +ATOM 1336 CA PRO B 36 9.299 6.665 13.797 1.00 15.72 C +ATOM 1337 C PRO B 36 8.010 6.232 14.403 1.00 27.07 C +ATOM 1338 O PRO B 36 8.028 5.977 15.694 1.00 15.67 O +ATOM 1339 CB PRO B 36 9.448 8.143 14.056 1.00 16.26 C +ATOM 1340 CG PRO B 36 9.504 8.813 12.839 1.00 21.27 C +ATOM 1341 CD PRO B 36 9.498 7.681 11.841 1.00 25.93 C +ATOM 1342 N TRP B 37 6.917 5.884 13.840 1.00 14.10 N +ATOM 1343 CA TRP B 37 5.821 5.395 14.601 1.00 12.74 C +ATOM 1344 C TRP B 37 5.965 3.976 15.036 1.00 15.06 C +ATOM 1345 O TRP B 37 5.268 3.465 15.926 1.00 15.27 O +ATOM 1346 CB TRP B 37 4.670 5.475 13.490 1.00 19.41 C +ATOM 1347 CG TRP B 37 4.766 4.831 12.253 1.00 14.79 C +ATOM 1348 CD1 TRP B 37 4.298 3.513 11.774 1.00 18.82 C +ATOM 1349 CD2 TRP B 37 5.265 5.442 10.984 1.00 18.23 C +ATOM 1350 NE1 TRP B 37 4.669 3.435 10.535 1.00 23.72 N +ATOM 1351 CE2 TRP B 37 5.184 4.400 9.923 1.00 22.13 C +ATOM 1352 CE3 TRP B 37 5.947 6.691 10.672 1.00 21.52 C +ATOM 1353 CZ2 TRP B 37 5.584 4.556 8.589 1.00 18.19 C +ATOM 1354 CZ3 TRP B 37 6.183 6.773 9.398 1.00 31.71 C +ATOM 1355 CH2 TRP B 37 6.069 5.844 8.520 1.00 14.12 C +ATOM 1356 N THR B 38 7.039 3.221 14.646 1.00 14.17 N +ATOM 1357 CA THR B 38 7.466 1.912 14.979 1.00 13.46 C +ATOM 1358 C THR B 38 7.760 1.960 16.519 1.00 16.65 C +ATOM 1359 O THR B 38 8.073 0.918 17.118 1.00 18.86 O +ATOM 1360 CB THR B 38 8.456 1.107 14.212 1.00 12.74 C +ATOM 1361 OG1 THR B 38 9.507 1.962 14.105 1.00 14.09 O +ATOM 1362 CG2 THR B 38 7.863 1.128 12.798 1.00 15.42 C +ATOM 1363 N GLN B 39 8.203 3.108 16.922 1.00 19.91 N +ATOM 1364 CA GLN B 39 8.656 3.567 18.379 1.00 23.22 C +ATOM 1365 C GLN B 39 7.604 3.201 19.358 1.00 19.19 C +ATOM 1366 O GLN B 39 7.968 2.987 20.495 1.00 19.29 O +ATOM 1367 CB GLN B 39 9.277 4.878 18.529 1.00 24.35 C +ATOM 1368 CG GLN B 39 10.405 5.137 17.759 1.00 25.27 C +ATOM 1369 CD GLN B 39 10.983 6.633 17.918 1.00 24.35 C +ATOM 1370 OE1 GLN B 39 10.480 7.189 18.922 1.00 26.75 O +ATOM 1371 NE2 GLN B 39 11.852 7.006 16.956 1.00 30.18 N +ATOM 1372 N ARG B 40 6.347 3.079 18.900 1.00 20.02 N +ATOM 1373 CA ARG B 40 5.184 2.850 19.816 1.00 21.80 C +ATOM 1374 C ARG B 40 5.511 1.455 20.630 1.00 29.36 C +ATOM 1375 O ARG B 40 4.888 1.619 21.749 1.00 24.42 O +ATOM 1376 CB ARG B 40 3.944 2.700 18.938 1.00 16.52 C +ATOM 1377 CG ARG B 40 3.694 1.420 18.404 1.00 20.34 C +ATOM 1378 CD ARG B 40 2.451 1.519 17.302 1.00 25.31 C +ATOM 1379 NE ARG B 40 1.370 1.856 17.810 1.00 29.70 N +ATOM 1380 CZ ARG B 40 0.400 1.022 18.648 1.00 34.46 C +ATOM 1381 NH1 ARG B 40 0.678 -0.097 18.556 1.00 31.34 N +ATOM 1382 NH2 ARG B 40 -0.783 2.010 18.877 1.00 39.12 N +ATOM 1383 N PHE B 41 6.149 0.541 20.453 1.00 19.21 N +ATOM 1384 CA PHE B 41 6.133 -0.730 21.151 1.00 16.53 C +ATOM 1385 C PHE B 41 7.442 -0.621 22.343 1.00 21.34 C +ATOM 1386 O PHE B 41 7.412 -1.538 22.897 1.00 23.45 O +ATOM 1387 CB PHE B 41 6.675 -1.804 20.080 1.00 10.39 C +ATOM 1388 CG PHE B 41 5.553 -1.984 19.152 1.00 13.84 C +ATOM 1389 CD1 PHE B 41 5.763 -1.448 17.828 1.00 17.38 C +ATOM 1390 CD2 PHE B 41 4.239 -2.655 19.578 1.00 25.55 C +ATOM 1391 CE1 PHE B 41 4.713 -1.720 16.922 1.00 15.72 C +ATOM 1392 CE2 PHE B 41 3.272 -2.680 18.459 1.00 21.40 C +ATOM 1393 CZ PHE B 41 3.586 -2.146 17.207 1.00 13.46 C +ATOM 1394 N PHE B 42 8.072 0.397 22.159 1.00 18.41 N +ATOM 1395 CA PHE B 42 9.433 0.476 22.639 1.00 17.88 C +ATOM 1396 C PHE B 42 9.683 1.552 23.631 1.00 26.28 C +ATOM 1397 O PHE B 42 10.712 1.963 24.025 1.00 30.16 O +ATOM 1398 CB PHE B 42 10.561 0.553 21.602 1.00 16.57 C +ATOM 1399 CG PHE B 42 10.524 -0.621 20.906 1.00 18.87 C +ATOM 1400 CD1 PHE B 42 10.208 -0.431 19.261 1.00 17.08 C +ATOM 1401 CD2 PHE B 42 10.804 -1.937 21.065 1.00 17.75 C +ATOM 1402 CE1 PHE B 42 10.137 -1.716 18.672 1.00 12.34 C +ATOM 1403 CE2 PHE B 42 10.625 -2.998 20.314 1.00 16.32 C +ATOM 1404 CZ PHE B 42 10.370 -2.870 18.826 1.00 14.29 C +ATOM 1405 N GLU B 43 8.703 2.022 24.176 1.00 32.94 N +ATOM 1406 CA GLU B 43 9.021 3.274 25.060 1.00 42.17 C +ATOM 1407 C GLU B 43 9.315 2.924 26.617 1.00 21.09 C +ATOM 1408 O GLU B 43 10.204 3.362 27.291 1.00 37.55 O +ATOM 1409 CB GLU B 43 7.798 3.586 25.059 1.00 73.91 C +ATOM 1410 CG GLU B 43 6.528 3.291 25.915 1.00 61.81 C +ATOM 1411 CD GLU B 43 4.777 4.930 25.558 1.00 78.77 C +ATOM 1412 OE1 GLU B 43 5.276 5.543 25.252 1.00 63.33 O +ATOM 1413 OE2 GLU B 43 4.274 3.783 26.403 1.00 59.41 O +ATOM 1414 N SER B 44 9.424 1.477 26.805 1.00 22.68 N +ATOM 1415 CA SER B 44 10.261 0.951 28.039 1.00 28.45 C +ATOM 1416 C SER B 44 11.527 1.680 27.935 1.00 36.10 C +ATOM 1417 O SER B 44 12.578 0.776 28.511 1.00 25.24 O +ATOM 1418 CB SER B 44 9.957 -0.409 28.119 1.00 27.61 C +ATOM 1419 OG SER B 44 10.204 -1.503 27.766 1.00 37.26 O +ATOM 1420 N PHE B 45 12.292 1.349 26.626 1.00 28.36 N +ATOM 1421 CA PHE B 45 13.648 1.329 26.186 1.00 25.47 C +ATOM 1422 C PHE B 45 14.197 2.590 26.508 1.00 26.28 C +ATOM 1423 O PHE B 45 15.451 2.670 26.190 1.00 31.39 O +ATOM 1424 CB PHE B 45 13.618 0.947 24.623 1.00 22.10 C +ATOM 1425 CG PHE B 45 13.541 -0.652 24.249 1.00 18.85 C +ATOM 1426 CD1 PHE B 45 13.939 -0.880 22.983 1.00 29.27 C +ATOM 1427 CD2 PHE B 45 12.982 -1.450 24.626 1.00 31.57 C +ATOM 1428 CE1 PHE B 45 13.682 -2.441 22.618 1.00 29.02 C +ATOM 1429 CE2 PHE B 45 12.642 -2.810 24.625 1.00 30.34 C +ATOM 1430 CZ PHE B 45 13.202 -2.999 23.312 1.00 36.33 C +ATOM 1431 N GLY B 46 13.772 3.730 26.937 1.00 39.28 N +ATOM 1432 CA GLY B 46 14.529 4.785 27.301 1.00 46.90 C +ATOM 1433 C GLY B 46 14.720 5.977 26.137 1.00 45.06 C +ATOM 1434 O GLY B 46 13.492 6.152 25.410 1.00 36.42 O +ATOM 1435 N ASP B 47 15.717 6.365 26.037 1.00 38.00 N +ATOM 1436 CA ASP B 47 15.729 7.801 25.184 1.00 38.15 C +ATOM 1437 C ASP B 47 16.096 7.362 23.534 1.00 25.86 C +ATOM 1438 O ASP B 47 16.860 6.380 23.281 1.00 25.46 O +ATOM 1439 CB ASP B 47 17.237 8.136 25.516 1.00 44.07 C +ATOM 1440 CG ASP B 47 17.345 9.494 25.209 1.00 52.06 C +ATOM 1441 OD1 ASP B 47 18.506 10.069 24.917 1.00 44.54 O +ATOM 1442 OD2 ASP B 47 16.192 10.248 24.076 1.00 35.33 O +ATOM 1443 N LEU B 48 14.758 7.696 22.981 1.00 25.27 N +ATOM 1444 CA LEU B 48 14.475 7.473 21.435 1.00 28.75 C +ATOM 1445 C LEU B 48 14.468 8.903 20.740 1.00 27.19 C +ATOM 1446 O LEU B 48 13.953 8.921 19.724 1.00 27.20 O +ATOM 1447 CB LEU B 48 13.484 6.505 21.317 1.00 23.96 C +ATOM 1448 CG LEU B 48 13.754 5.148 21.718 1.00 24.35 C +ATOM 1449 CD1 LEU B 48 12.414 4.237 21.541 1.00 34.74 C +ATOM 1450 CD2 LEU B 48 14.775 4.377 21.408 1.00 34.58 C +ATOM 1451 N SER B 49 15.103 9.812 21.342 1.00 41.94 N +ATOM 1452 CA SER B 49 14.421 11.168 20.634 1.00 46.28 C +ATOM 1453 C SER B 49 15.582 11.613 20.219 1.00 38.86 C +ATOM 1454 O SER B 49 14.817 12.605 18.942 1.00 41.94 O +ATOM 1455 CB SER B 49 14.717 12.244 22.089 1.00 37.98 C +ATOM 1456 OG SER B 49 16.403 12.088 22.302 1.00 37.71 O +ATOM 1457 N THR B 50 16.507 11.264 19.343 1.00 28.29 N +ATOM 1458 CA THR B 50 17.236 11.360 18.289 1.00 30.77 C +ATOM 1459 C THR B 50 17.885 10.175 17.455 1.00 28.12 C +ATOM 1460 O THR B 50 17.899 9.107 18.221 1.00 25.38 O +ATOM 1461 CB THR B 50 18.076 12.160 18.824 1.00 33.39 C +ATOM 1462 OG1 THR B 50 19.415 11.795 19.160 1.00 37.96 O +ATOM 1463 CG2 THR B 50 18.083 13.812 19.397 1.00 29.64 C +ATOM 1464 N PRO B 51 18.477 10.443 16.283 1.00 28.96 N +ATOM 1465 CA PRO B 51 18.840 9.268 15.580 1.00 22.25 C +ATOM 1466 C PRO B 51 20.003 8.659 16.259 1.00 19.80 C +ATOM 1467 O PRO B 51 20.229 7.322 16.651 1.00 21.55 O +ATOM 1468 CB PRO B 51 19.279 9.752 14.257 1.00 27.29 C +ATOM 1469 CG PRO B 51 18.236 10.849 14.019 1.00 23.54 C +ATOM 1470 CD PRO B 51 18.120 11.592 15.204 1.00 26.04 C +ATOM 1471 N ASP B 52 20.955 9.490 16.887 1.00 21.99 N +ATOM 1472 CA ASP B 52 22.107 9.063 17.596 1.00 20.50 C +ATOM 1473 C ASP B 52 21.711 8.282 18.816 1.00 16.32 C +ATOM 1474 O ASP B 52 22.264 7.261 19.307 1.00 25.55 O +ATOM 1475 CB ASP B 52 22.971 10.246 17.966 1.00 32.17 C +ATOM 1476 CG ASP B 52 24.234 10.367 16.728 1.00 47.24 C +ATOM 1477 OD1 ASP B 52 24.140 9.731 15.886 1.00 41.78 O +ATOM 1478 OD2 ASP B 52 24.041 11.689 16.359 1.00 62.08 O +ATOM 1479 N ALA B 53 20.654 8.843 19.515 1.00 23.18 N +ATOM 1480 CA ALA B 53 20.143 8.181 20.776 1.00 24.60 C +ATOM 1481 C ALA B 53 19.728 6.737 20.669 1.00 20.91 C +ATOM 1482 O ALA B 53 19.736 5.693 21.187 1.00 20.19 O +ATOM 1483 CB ALA B 53 19.176 8.937 21.371 1.00 23.45 C +ATOM 1484 N VAL B 54 18.925 6.610 19.428 1.00 19.02 N +ATOM 1485 CA VAL B 54 18.396 5.367 18.970 1.00 17.30 C +ATOM 1486 C VAL B 54 19.363 4.542 18.660 1.00 15.03 C +ATOM 1487 O VAL B 54 19.429 3.266 19.120 1.00 19.06 O +ATOM 1488 CB VAL B 54 17.268 5.613 17.733 1.00 27.63 C +ATOM 1489 CG1 VAL B 54 17.019 4.214 17.213 1.00 22.46 C +ATOM 1490 CG2 VAL B 54 16.224 6.564 17.992 1.00 27.27 C +ATOM 1491 N MET B 55 20.370 4.888 17.834 1.00 21.73 N +ATOM 1492 CA MET B 55 21.262 3.920 17.351 1.00 17.86 C +ATOM 1493 C MET B 55 22.215 3.437 18.454 1.00 32.16 C +ATOM 1494 O MET B 55 22.701 2.355 18.174 1.00 26.15 O +ATOM 1495 CB MET B 55 22.167 4.509 16.152 1.00 19.12 C +ATOM 1496 CG MET B 55 21.367 4.924 14.914 1.00 18.10 C +ATOM 1497 SD MET B 55 20.328 3.573 14.221 1.00 21.28 S +ATOM 1498 CE MET B 55 21.373 2.471 13.659 1.00 20.66 C +ATOM 1499 N GLY B 56 22.406 4.339 19.361 1.00 24.42 N +ATOM 1500 CA GLY B 56 23.329 3.841 20.456 1.00 36.79 C +ATOM 1501 C GLY B 56 22.514 3.565 21.746 1.00 33.28 C +ATOM 1502 O GLY B 56 23.093 2.903 22.699 1.00 24.94 O +ATOM 1503 N ASN B 57 21.348 2.997 21.778 1.00 22.01 N +ATOM 1504 CA ASN B 57 20.559 2.685 22.827 1.00 15.71 C +ATOM 1505 C ASN B 57 20.755 1.267 22.976 1.00 17.88 C +ATOM 1506 O ASN B 57 20.502 0.300 22.098 1.00 18.04 O +ATOM 1507 CB ASN B 57 19.144 2.920 22.701 1.00 21.80 C +ATOM 1508 CG ASN B 57 18.247 2.358 23.776 1.00 18.78 C +ATOM 1509 OD1 ASN B 57 18.261 1.376 24.212 1.00 23.41 O +ATOM 1510 ND2 ASN B 57 17.583 3.338 24.270 1.00 26.53 N +ATOM 1511 N PRO B 58 21.174 0.662 24.086 1.00 24.81 N +ATOM 1512 CA PRO B 58 21.379 -0.699 24.384 1.00 24.38 C +ATOM 1513 C PRO B 58 20.320 -1.707 24.238 1.00 16.45 C +ATOM 1514 O PRO B 58 20.621 -2.865 23.942 1.00 22.03 O +ATOM 1515 CB PRO B 58 22.199 -0.585 25.810 1.00 41.00 C +ATOM 1516 CG PRO B 58 21.985 0.546 26.007 1.00 36.46 C +ATOM 1517 CD PRO B 58 21.572 1.751 25.438 1.00 41.75 C +ATOM 1518 N LYS B 59 19.129 -1.092 24.601 1.00 16.03 N +ATOM 1519 CA LYS B 59 17.877 -2.002 24.599 1.00 22.04 C +ATOM 1520 C LYS B 59 17.389 -2.185 23.113 1.00 13.98 C +ATOM 1521 O LYS B 59 17.132 -3.370 22.712 1.00 15.67 O +ATOM 1522 CB LYS B 59 16.893 -1.439 25.346 1.00 22.22 C +ATOM 1523 CG LYS B 59 17.003 -1.840 26.817 1.00 45.70 C +ATOM 1524 CD LYS B 59 17.133 -0.988 27.329 1.00 44.05 C +ATOM 1525 CE LYS B 59 17.311 -2.126 29.392 1.00 71.22 C +ATOM 1526 NZ LYS B 59 16.304 -0.516 29.672 1.00 61.54 N +ATOM 1527 N VAL B 60 17.762 -1.228 22.435 1.00 17.28 N +ATOM 1528 CA VAL B 60 17.489 -1.267 20.987 1.00 18.21 C +ATOM 1529 C VAL B 60 18.198 -2.383 20.467 1.00 17.60 C +ATOM 1530 O VAL B 60 18.065 -3.331 19.597 1.00 19.11 O +ATOM 1531 CB VAL B 60 17.415 0.000 20.196 1.00 19.15 C +ATOM 1532 CG1 VAL B 60 17.700 -0.242 18.743 1.00 20.44 C +ATOM 1533 CG2 VAL B 60 16.452 0.957 20.699 1.00 20.64 C +ATOM 1534 N LYS B 61 19.612 -2.162 20.575 1.00 16.19 N +ATOM 1535 CA LYS B 61 20.529 -3.146 20.062 1.00 15.00 C +ATOM 1536 C LYS B 61 20.399 -4.610 20.622 1.00 17.90 C +ATOM 1537 O LYS B 61 20.213 -5.649 19.890 1.00 20.52 O +ATOM 1538 CB LYS B 61 21.934 -2.794 20.686 1.00 23.50 C +ATOM 1539 CG LYS B 61 22.389 -1.790 20.123 1.00 34.21 C +ATOM 1540 CD LYS B 61 23.914 -1.121 21.095 1.00 48.05 C +ATOM 1541 CE LYS B 61 24.659 -0.514 19.697 1.00 65.12 C +ATOM 1542 NZ LYS B 61 25.928 0.153 20.694 1.00 66.26 N +ATOM 1543 N ALA B 62 19.935 -4.789 21.817 1.00 18.99 N +ATOM 1544 CA ALA B 62 19.613 -6.179 22.281 1.00 20.11 C +ATOM 1545 C ALA B 62 18.327 -6.740 21.532 1.00 23.44 C +ATOM 1546 O ALA B 62 18.260 -7.852 21.400 1.00 21.26 O +ATOM 1547 CB ALA B 62 19.287 -6.023 23.792 1.00 28.90 C +ATOM 1548 N HIS B 63 17.361 -5.800 21.608 1.00 20.40 N +ATOM 1549 CA HIS B 63 16.190 -6.291 20.805 1.00 18.39 C +ATOM 1550 C HIS B 63 16.516 -6.639 19.256 1.00 14.88 C +ATOM 1551 O HIS B 63 16.111 -7.828 18.863 1.00 18.29 O +ATOM 1552 CB HIS B 63 15.116 -5.410 20.859 1.00 22.46 C +ATOM 1553 CG HIS B 63 13.751 -5.776 20.554 1.00 25.19 C +ATOM 1554 ND1 HIS B 63 13.281 -7.248 21.117 1.00 24.68 N +ATOM 1555 CD2 HIS B 63 13.005 -5.716 19.310 1.00 20.46 C +ATOM 1556 CE1 HIS B 63 11.969 -7.447 20.274 1.00 21.48 C +ATOM 1557 NE2 HIS B 63 11.891 -6.627 19.400 1.00 20.00 N +ATOM 1558 N GLY B 64 17.369 -5.912 18.807 1.00 15.81 N +ATOM 1559 CA GLY B 64 17.753 -6.266 17.372 1.00 16.57 C +ATOM 1560 C GLY B 64 18.356 -7.523 17.041 1.00 14.05 C +ATOM 1561 O GLY B 64 18.321 -8.353 16.306 1.00 17.38 O +ATOM 1562 N LYS B 65 19.222 -7.845 18.080 1.00 15.77 N +ATOM 1563 CA LYS B 65 19.749 -9.096 18.187 1.00 17.79 C +ATOM 1564 C LYS B 65 18.945 -10.321 18.319 1.00 18.32 C +ATOM 1565 O LYS B 65 19.205 -11.332 17.796 1.00 19.33 O +ATOM 1566 CB LYS B 65 21.117 -9.195 19.352 1.00 34.65 C +ATOM 1567 CG LYS B 65 20.823 -9.337 19.828 1.00 64.04 C +ATOM 1568 CD LYS B 65 22.866 -9.404 21.254 1.00 58.77 C +ATOM 1569 CE LYS B 65 21.591 -11.376 21.213 1.00 64.47 C +ATOM 1570 NZ LYS B 65 22.762 -11.190 23.512 1.00 67.19 N +ATOM 1571 N LYS B 66 17.979 -10.126 19.094 1.00 17.45 N +ATOM 1572 CA LYS B 66 17.297 -11.071 19.293 1.00 20.10 C +ATOM 1573 C LYS B 66 16.171 -11.403 18.033 1.00 21.06 C +ATOM 1574 O LYS B 66 15.915 -12.596 17.725 1.00 17.84 O +ATOM 1575 CB LYS B 66 16.183 -10.827 20.504 1.00 22.19 C +ATOM 1576 CG LYS B 66 15.115 -11.668 20.860 1.00 40.97 C +ATOM 1577 CD LYS B 66 14.348 -11.289 22.165 1.00 49.22 C +ATOM 1578 CE LYS B 66 14.883 -13.426 23.031 1.00 72.58 C +ATOM 1579 NZ LYS B 66 13.505 -13.329 24.195 1.00 70.66 N +ATOM 1580 N VAL B 67 15.722 -10.213 17.591 1.00 16.93 N +ATOM 1581 CA VAL B 67 14.967 -10.430 16.204 1.00 19.22 C +ATOM 1582 C VAL B 67 15.793 -10.926 15.110 1.00 11.08 C +ATOM 1583 O VAL B 67 15.419 -12.032 14.481 1.00 14.57 O +ATOM 1584 CB VAL B 67 14.239 -9.056 15.913 1.00 21.56 C +ATOM 1585 CG1 VAL B 67 13.929 -8.835 14.427 1.00 18.58 C +ATOM 1586 CG2 VAL B 67 13.400 -8.550 17.010 1.00 21.34 C +ATOM 1587 N LEU B 68 16.954 -10.461 14.916 1.00 11.62 N +ATOM 1588 CA LEU B 68 17.765 -11.045 13.835 1.00 15.23 C +ATOM 1589 C LEU B 68 18.198 -12.546 14.030 1.00 13.22 C +ATOM 1590 O LEU B 68 18.576 -13.320 13.014 1.00 14.49 O +ATOM 1591 CB LEU B 68 18.788 -10.157 13.424 1.00 22.80 C +ATOM 1592 CG LEU B 68 18.947 -9.620 11.990 1.00 26.57 C +ATOM 1593 CD1 LEU B 68 20.192 -10.323 11.868 1.00 62.38 C +ATOM 1594 CD2 LEU B 68 17.922 -9.301 11.306 1.00 35.30 C +ATOM 1595 N GLY B 69 18.512 -12.954 15.230 1.00 14.77 N +ATOM 1596 CA GLY B 69 18.843 -14.169 15.499 1.00 20.29 C +ATOM 1597 C GLY B 69 17.847 -15.440 15.178 1.00 17.59 C +ATOM 1598 O GLY B 69 17.982 -16.324 14.534 1.00 19.02 O +ATOM 1599 N ALA B 70 16.471 -14.870 15.541 1.00 19.76 N +ATOM 1600 CA ALA B 70 15.432 -15.582 15.055 1.00 20.35 C +ATOM 1601 C ALA B 70 15.296 -15.691 13.506 1.00 16.36 C +ATOM 1602 O ALA B 70 14.996 -16.706 12.805 1.00 18.12 O +ATOM 1603 CB ALA B 70 14.137 -15.174 15.556 1.00 18.92 C +ATOM 1604 N PHE B 71 15.441 -14.520 12.868 1.00 14.47 N +ATOM 1605 CA PHE B 71 15.473 -14.523 11.393 1.00 18.37 C +ATOM 1606 C PHE B 71 16.681 -15.484 10.885 1.00 23.80 C +ATOM 1607 O PHE B 71 16.324 -16.238 10.064 1.00 20.23 O +ATOM 1608 CB PHE B 71 15.760 -13.050 11.104 1.00 13.73 C +ATOM 1609 CG PHE B 71 15.796 -12.885 9.606 1.00 18.08 C +ATOM 1610 CD1 PHE B 71 14.729 -12.558 8.930 1.00 25.10 C +ATOM 1611 CD2 PHE B 71 17.072 -12.967 8.830 1.00 17.17 C +ATOM 1612 CE1 PHE B 71 14.623 -12.282 7.460 1.00 19.10 C +ATOM 1613 CE2 PHE B 71 16.901 -12.741 7.550 1.00 22.20 C +ATOM 1614 CZ PHE B 71 15.701 -12.364 6.812 1.00 12.94 C +ATOM 1615 N SER B 72 17.595 -15.502 11.393 1.00 20.10 N +ATOM 1616 CA SER B 72 18.969 -16.288 11.125 1.00 20.52 C +ATOM 1617 C SER B 72 18.446 -17.702 11.027 1.00 24.58 C +ATOM 1618 O SER B 72 18.709 -18.593 10.064 1.00 22.06 O +ATOM 1619 CB SER B 72 20.232 -15.732 11.864 1.00 15.28 C +ATOM 1620 OG SER B 72 21.400 -16.267 11.544 1.00 25.10 O +ATOM 1621 N ASP B 73 17.933 -17.999 12.102 1.00 27.59 N +ATOM 1622 CA ASP B 73 17.456 -19.508 12.282 1.00 37.45 C +ATOM 1623 C ASP B 73 16.631 -19.746 11.447 1.00 25.08 C +ATOM 1624 O ASP B 73 16.306 -20.962 10.848 1.00 31.64 O +ATOM 1625 CB ASP B 73 17.022 -19.613 13.914 1.00 36.32 C +ATOM 1626 CG ASP B 73 18.407 -19.595 14.926 1.00 45.09 C +ATOM 1627 OD1 ASP B 73 19.800 -19.407 14.506 1.00 37.33 O +ATOM 1628 OD2 ASP B 73 18.096 -19.496 15.880 1.00 52.94 O +ATOM 1629 N GLY B 74 15.535 -19.019 10.954 1.00 21.04 N +ATOM 1630 CA GLY B 74 14.735 -19.149 9.973 1.00 15.14 C +ATOM 1631 C GLY B 74 14.988 -19.490 8.722 1.00 22.81 C +ATOM 1632 O GLY B 74 14.637 -20.071 7.621 1.00 25.94 O +ATOM 1633 N LEU B 75 16.509 -18.919 8.215 1.00 20.94 N +ATOM 1634 CA LEU B 75 17.037 -19.090 6.965 1.00 15.84 C +ATOM 1635 C LEU B 75 17.465 -20.570 6.842 1.00 26.11 C +ATOM 1636 O LEU B 75 17.646 -20.979 5.741 1.00 28.14 O +ATOM 1637 CB LEU B 75 18.377 -18.389 6.691 1.00 21.09 C +ATOM 1638 CG LEU B 75 18.160 -17.146 6.885 1.00 27.76 C +ATOM 1639 CD1 LEU B 75 19.415 -16.065 6.621 1.00 33.03 C +ATOM 1640 CD2 LEU B 75 17.192 -16.405 5.891 1.00 30.01 C +ATOM 1641 N ALA B 76 17.528 -21.312 7.923 1.00 21.21 N +ATOM 1642 CA ALA B 76 17.717 -22.609 7.710 1.00 22.79 C +ATOM 1643 C ALA B 76 16.647 -23.681 7.464 1.00 40.88 C +ATOM 1644 O ALA B 76 16.656 -24.527 7.123 1.00 38.44 O +ATOM 1645 CB ALA B 76 18.164 -23.328 9.061 1.00 29.05 C +ATOM 1646 N HIS B 77 15.219 -22.886 7.385 1.00 23.87 N +ATOM 1647 CA HIS B 77 13.929 -23.700 7.284 1.00 21.57 C +ATOM 1648 C HIS B 77 13.284 -22.870 6.150 1.00 18.37 C +ATOM 1649 O HIS B 77 12.059 -22.798 6.220 1.00 23.13 O +ATOM 1650 CB HIS B 77 13.250 -23.395 8.460 1.00 29.02 C +ATOM 1651 CG HIS B 77 14.079 -24.146 9.683 1.00 36.16 C +ATOM 1652 ND1 HIS B 77 14.936 -23.842 10.757 1.00 45.10 N +ATOM 1653 CD2 HIS B 77 14.095 -25.953 9.360 1.00 41.12 C +ATOM 1654 CE1 HIS B 77 15.178 -24.891 11.130 1.00 37.52 C +ATOM 1655 NE2 HIS B 77 14.852 -25.983 10.561 1.00 42.04 N +ATOM 1656 N LEU B 78 13.874 -22.553 5.099 1.00 22.31 N +ATOM 1657 CA LEU B 78 13.302 -21.614 4.148 1.00 20.28 C +ATOM 1658 C LEU B 78 12.283 -22.522 3.216 1.00 31.20 C +ATOM 1659 O LEU B 78 11.288 -21.899 3.087 1.00 34.80 O +ATOM 1660 CB LEU B 78 14.257 -21.383 2.881 1.00 19.92 C +ATOM 1661 CG LEU B 78 14.986 -19.978 3.420 1.00 39.49 C +ATOM 1662 CD1 LEU B 78 16.407 -19.926 2.680 1.00 34.16 C +ATOM 1663 CD2 LEU B 78 14.406 -18.731 3.892 1.00 31.09 C +ATOM 1664 N ASP B 79 12.097 -23.916 3.393 1.00 31.59 N +ATOM 1665 CA ASP B 79 11.104 -24.882 2.602 1.00 37.85 C +ATOM 1666 C ASP B 79 9.843 -24.653 3.569 1.00 38.72 C +ATOM 1667 O ASP B 79 9.096 -25.342 3.631 1.00 37.62 O +ATOM 1668 CB ASP B 79 11.737 -26.234 3.104 1.00 48.10 C +ATOM 1669 CG ASP B 79 12.662 -26.319 2.384 1.00 61.60 C +ATOM 1670 OD1 ASP B 79 13.286 -27.317 2.464 1.00 57.05 O +ATOM 1671 OD2 ASP B 79 12.655 -25.818 0.790 1.00 50.26 O +ATOM 1672 N ASN B 80 10.028 -24.212 4.945 1.00 35.73 N +ATOM 1673 CA ASN B 80 8.836 -24.555 6.146 1.00 42.30 C +ATOM 1674 C ASN B 80 9.062 -22.961 6.944 1.00 30.43 C +ATOM 1675 O ASN B 80 8.998 -23.185 7.997 1.00 27.17 O +ATOM 1676 CB ASN B 80 9.098 -25.723 6.800 1.00 45.64 C +ATOM 1677 CG ASN B 80 7.793 -26.259 7.837 1.00 49.79 C +ATOM 1678 OD1 ASN B 80 6.751 -25.228 7.493 1.00 49.18 O +ATOM 1679 ND2 ASN B 80 8.556 -26.466 8.946 1.00 48.18 N +ATOM 1680 N LEU B 81 8.851 -21.845 6.271 1.00 31.23 N +ATOM 1681 CA LEU B 81 8.683 -20.637 7.429 1.00 24.59 C +ATOM 1682 C LEU B 81 7.679 -20.724 8.281 1.00 25.32 C +ATOM 1683 O LEU B 81 7.523 -20.208 9.309 1.00 23.54 O +ATOM 1684 CB LEU B 81 8.987 -19.631 6.449 1.00 29.09 C +ATOM 1685 CG LEU B 81 10.160 -19.226 5.665 1.00 21.46 C +ATOM 1686 CD1 LEU B 81 10.084 -18.185 4.643 1.00 28.62 C +ATOM 1687 CD2 LEU B 81 11.341 -18.875 6.546 1.00 30.82 C +ATOM 1688 N LYS B 82 6.283 -21.136 7.490 1.00 26.15 N +ATOM 1689 CA LYS B 82 5.156 -20.862 8.452 1.00 24.25 C +ATOM 1690 C LYS B 82 5.202 -21.643 9.461 1.00 23.08 C +ATOM 1691 O LYS B 82 4.869 -21.389 10.597 1.00 24.88 O +ATOM 1692 CB LYS B 82 4.142 -21.433 7.392 1.00 40.41 C +ATOM 1693 CG LYS B 82 3.479 -20.229 6.738 1.00 39.73 C +ATOM 1694 CD LYS B 82 2.160 -20.747 5.755 1.00 66.91 C +ATOM 1695 CE LYS B 82 1.685 -20.767 6.266 1.00 59.33 C +ATOM 1696 NZ LYS B 82 -0.023 -22.087 5.346 1.00 80.12 N +ATOM 1697 N GLY B 83 5.725 -22.942 9.358 1.00 26.18 N +ATOM 1698 CA GLY B 83 5.798 -23.724 10.746 1.00 41.64 C +ATOM 1699 C GLY B 83 6.819 -23.249 11.591 1.00 31.59 C +ATOM 1700 O GLY B 83 6.621 -23.464 12.858 1.00 36.40 O +ATOM 1701 N THR B 84 7.985 -22.864 11.019 1.00 26.72 N +ATOM 1702 CA THR B 84 9.150 -22.242 11.744 1.00 25.47 C +ATOM 1703 C THR B 84 8.609 -21.278 12.796 1.00 33.72 C +ATOM 1704 O THR B 84 8.964 -20.907 13.790 1.00 27.43 O +ATOM 1705 CB THR B 84 10.394 -21.742 11.042 1.00 25.58 C +ATOM 1706 OG1 THR B 84 10.806 -23.108 10.337 1.00 39.04 O +ATOM 1707 CG2 THR B 84 11.362 -21.482 11.789 1.00 30.76 C +ATOM 1708 N PHE B 85 7.740 -20.301 12.125 1.00 23.61 N +ATOM 1709 CA PHE B 85 7.236 -18.963 12.749 1.00 21.59 C +ATOM 1710 C PHE B 85 5.980 -19.056 13.414 1.00 28.51 C +ATOM 1711 O PHE B 85 5.496 -18.006 13.809 1.00 18.85 O +ATOM 1712 CB PHE B 85 7.575 -17.733 11.855 1.00 18.34 C +ATOM 1713 CG PHE B 85 8.914 -17.486 11.587 1.00 13.87 C +ATOM 1714 CD1 PHE B 85 9.583 -17.701 10.358 1.00 16.61 C +ATOM 1715 CD2 PHE B 85 9.616 -17.039 12.693 1.00 18.32 C +ATOM 1716 CE1 PHE B 85 11.009 -17.444 10.305 1.00 27.99 C +ATOM 1717 CE2 PHE B 85 11.013 -16.752 12.253 1.00 21.68 C +ATOM 1718 CZ PHE B 85 11.837 -16.973 11.161 1.00 21.59 C +ATOM 1719 N ALA B 86 5.328 -20.141 13.373 1.00 22.16 N +ATOM 1720 CA ALA B 86 3.899 -20.242 13.948 1.00 23.14 C +ATOM 1721 C ALA B 86 3.715 -19.788 15.246 1.00 20.99 C +ATOM 1722 O ALA B 86 2.881 -18.975 15.595 1.00 20.07 O +ATOM 1723 CB ALA B 86 3.272 -21.660 13.783 1.00 23.69 C +ATOM 1724 N THR B 87 4.501 -20.280 16.157 1.00 14.82 N +ATOM 1725 CA THR B 87 4.271 -19.764 17.443 1.00 18.61 C +ATOM 1726 C THR B 87 4.737 -18.271 17.729 1.00 25.42 C +ATOM 1727 O THR B 87 4.013 -17.569 18.383 1.00 23.63 O +ATOM 1728 CB THR B 87 5.631 -20.439 18.664 1.00 36.27 C +ATOM 1729 OG1 THR B 87 5.010 -21.597 18.659 1.00 56.82 O +ATOM 1730 CG2 THR B 87 4.455 -20.311 20.305 1.00 60.80 C +ATOM 1731 N LEU B 88 5.836 -17.770 16.978 1.00 19.44 N +ATOM 1732 CA LEU B 88 5.984 -16.362 17.087 1.00 17.97 C +ATOM 1733 C LEU B 88 4.882 -15.510 16.526 1.00 11.34 C +ATOM 1734 O LEU B 88 4.682 -14.416 16.964 1.00 17.71 O +ATOM 1735 CB LEU B 88 7.361 -16.058 16.476 1.00 20.20 C +ATOM 1736 CG LEU B 88 8.654 -16.553 17.229 1.00 27.17 C +ATOM 1737 CD1 LEU B 88 9.614 -15.962 16.454 1.00 32.32 C +ATOM 1738 CD2 LEU B 88 8.631 -15.491 18.343 1.00 27.72 C +ATOM 1739 N SER B 89 4.254 -16.087 15.451 1.00 12.58 N +ATOM 1740 CA SER B 89 3.084 -15.313 14.877 1.00 15.21 C +ATOM 1741 C SER B 89 1.999 -14.995 15.898 1.00 14.13 C +ATOM 1742 O SER B 89 1.472 -13.894 16.189 1.00 14.29 O +ATOM 1743 CB SER B 89 2.771 -16.248 13.670 1.00 18.34 C +ATOM 1744 OG SER B 89 1.531 -15.441 13.107 1.00 17.85 O +ATOM 1745 N GLU B 90 1.628 -16.201 16.484 1.00 14.25 N +ATOM 1746 CA GLU B 90 0.931 -16.070 17.617 1.00 20.50 C +ATOM 1747 C GLU B 90 0.876 -15.142 18.820 1.00 13.47 C +ATOM 1748 O GLU B 90 0.179 -14.243 19.122 1.00 16.05 O +ATOM 1749 CB GLU B 90 0.387 -17.706 18.270 1.00 21.76 C +ATOM 1750 CG GLU B 90 0.049 -18.266 17.145 1.00 48.13 C +ATOM 1751 CD GLU B 90 -0.726 -20.095 17.710 1.00 78.64 C +ATOM 1752 OE1 GLU B 90 -1.132 -19.837 18.495 1.00 55.55 O +ATOM 1753 OE2 GLU B 90 0.235 -20.950 17.492 1.00 74.37 O +ATOM 1754 N LEU B 91 2.312 -15.215 19.185 1.00 13.36 N +ATOM 1755 CA LEU B 91 2.718 -14.253 20.128 1.00 14.20 C +ATOM 1756 C LEU B 91 2.527 -12.831 19.767 1.00 8.80 C +ATOM 1757 O LEU B 91 2.160 -11.906 20.481 1.00 10.74 O +ATOM 1758 CB LEU B 91 4.110 -14.807 20.432 1.00 12.00 C +ATOM 1759 CG LEU B 91 4.669 -13.801 21.348 1.00 18.50 C +ATOM 1760 CD1 LEU B 91 4.127 -14.212 22.834 1.00 20.79 C +ATOM 1761 CD2 LEU B 91 5.943 -13.652 21.455 1.00 37.40 C +ATOM 1762 N HIS B 92 3.059 -12.662 18.493 1.00 10.78 N +ATOM 1763 CA HIS B 92 3.032 -11.268 18.253 1.00 11.85 C +ATOM 1764 C HIS B 92 1.536 -10.600 17.895 1.00 11.06 C +ATOM 1765 O HIS B 92 1.291 -9.431 18.158 1.00 13.45 O +ATOM 1766 CB HIS B 92 3.754 -11.078 16.807 1.00 9.95 C +ATOM 1767 CG HIS B 92 5.289 -10.900 17.051 1.00 15.50 C +ATOM 1768 ND1 HIS B 92 6.099 -12.172 17.134 1.00 15.27 N +ATOM 1769 CD2 HIS B 92 6.215 -9.905 16.994 1.00 23.76 C +ATOM 1770 CE1 HIS B 92 7.432 -11.572 17.375 1.00 16.99 C +ATOM 1771 NE2 HIS B 92 7.367 -10.337 17.129 1.00 14.76 N +ATOM 1772 N CYS B 93 0.636 -11.512 17.534 1.00 14.83 N +ATOM 1773 CA CYS B 93 -0.706 -11.057 17.499 1.00 12.23 C +ATOM 1774 C CYS B 93 -1.360 -10.953 18.986 1.00 10.49 C +ATOM 1775 O CYS B 93 -1.843 -9.987 19.222 1.00 18.01 O +ATOM 1776 CB CYS B 93 -1.330 -12.054 16.605 1.00 15.43 C +ATOM 1777 SG CYS B 93 -3.259 -11.741 16.494 1.00 18.37 S +ATOM 1778 N ASP B 94 -1.338 -12.094 19.598 1.00 13.11 N +ATOM 1779 CA ASP B 94 -2.308 -12.076 20.721 1.00 15.32 C +ATOM 1780 C ASP B 94 -1.586 -11.449 21.803 1.00 25.71 C +ATOM 1781 O ASP B 94 -2.319 -10.827 22.800 1.00 21.65 O +ATOM 1782 CB ASP B 94 -2.522 -13.477 21.183 1.00 21.65 C +ATOM 1783 CG ASP B 94 -3.443 -14.553 20.246 1.00 42.42 C +ATOM 1784 OD1 ASP B 94 -3.967 -13.792 19.626 1.00 30.02 O +ATOM 1785 OD2 ASP B 94 -3.094 -15.441 20.443 1.00 43.30 O +ATOM 1786 N LYS B 95 -0.348 -11.361 22.144 1.00 18.55 N +ATOM 1787 CA LYS B 95 0.080 -10.591 23.184 1.00 19.10 C +ATOM 1788 C LYS B 95 0.803 -9.499 23.130 1.00 19.57 C +ATOM 1789 O LYS B 95 0.736 -8.565 23.699 1.00 21.87 O +ATOM 1790 CB LYS B 95 1.151 -11.737 23.890 1.00 25.95 C +ATOM 1791 CG LYS B 95 0.477 -13.054 24.377 1.00 24.86 C +ATOM 1792 CD LYS B 95 -0.659 -12.473 25.407 1.00 36.14 C +ATOM 1793 CE LYS B 95 -1.063 -13.745 26.122 1.00 47.76 C +ATOM 1794 NZ LYS B 95 -2.126 -13.501 26.952 1.00 55.91 N +ATOM 1795 N LEU B 96 1.669 -9.358 21.897 1.00 12.40 N +ATOM 1796 CA LEU B 96 2.264 -8.159 21.581 1.00 11.86 C +ATOM 1797 C LEU B 96 1.626 -7.005 20.824 1.00 15.10 C +ATOM 1798 O LEU B 96 2.002 -5.926 20.849 1.00 17.50 O +ATOM 1799 CB LEU B 96 3.645 -8.491 21.134 1.00 14.08 C +ATOM 1800 CG LEU B 96 4.528 -9.722 21.739 1.00 12.34 C +ATOM 1801 CD1 LEU B 96 5.778 -9.939 20.848 1.00 13.78 C +ATOM 1802 CD2 LEU B 96 4.863 -8.876 23.113 1.00 22.81 C +ATOM 1803 N HIS B 97 0.616 -7.508 20.069 1.00 15.44 N +ATOM 1804 CA HIS B 97 -0.223 -6.510 19.374 1.00 18.15 C +ATOM 1805 C HIS B 97 0.581 -5.736 18.319 1.00 12.24 C +ATOM 1806 O HIS B 97 0.337 -4.532 18.056 1.00 15.82 O +ATOM 1807 CB HIS B 97 -1.053 -5.508 20.203 1.00 17.74 C +ATOM 1808 CG HIS B 97 -1.716 -6.273 21.483 1.00 16.77 C +ATOM 1809 ND1 HIS B 97 -2.602 -7.310 21.250 1.00 19.56 N +ATOM 1810 CD2 HIS B 97 -1.189 -6.197 22.703 1.00 23.33 C +ATOM 1811 CE1 HIS B 97 -2.759 -7.812 22.476 1.00 19.82 C +ATOM 1812 NE2 HIS B 97 -2.056 -7.104 23.341 1.00 20.39 N +ATOM 1813 N VAL B 98 1.359 -6.524 17.506 1.00 13.81 N +ATOM 1814 CA VAL B 98 2.284 -5.763 16.567 1.00 9.22 C +ATOM 1815 C VAL B 98 1.443 -5.905 15.109 1.00 9.86 C +ATOM 1816 O VAL B 98 1.420 -7.012 14.615 1.00 12.90 O +ATOM 1817 CB VAL B 98 3.592 -6.460 16.393 1.00 9.87 C +ATOM 1818 CG1 VAL B 98 4.438 -5.824 15.405 1.00 14.91 C +ATOM 1819 CG2 VAL B 98 4.444 -6.258 17.798 1.00 11.36 C +ATOM 1820 N ASP B 99 1.147 -4.763 14.513 1.00 11.46 N +ATOM 1821 CA ASP B 99 0.360 -4.723 13.272 1.00 9.02 C +ATOM 1822 C ASP B 99 1.555 -5.328 12.375 1.00 15.41 C +ATOM 1823 O ASP B 99 2.744 -4.931 12.235 1.00 10.63 O +ATOM 1824 CB ASP B 99 0.336 -3.327 12.907 1.00 9.79 C +ATOM 1825 CG ASP B 99 -0.231 -3.002 11.431 1.00 10.69 C +ATOM 1826 OD1 ASP B 99 -0.535 -1.748 11.309 1.00 15.04 O +ATOM 1827 OD2 ASP B 99 -0.299 -4.052 10.734 1.00 11.07 O +ATOM 1828 N PRO B 100 1.274 -6.350 11.556 1.00 10.46 N +ATOM 1829 CA PRO B 100 2.264 -7.099 10.669 1.00 11.87 C +ATOM 1830 C PRO B 100 2.744 -6.170 9.522 1.00 13.04 C +ATOM 1831 O PRO B 100 3.883 -6.627 8.995 1.00 13.79 O +ATOM 1832 CB PRO B 100 1.545 -8.233 10.081 1.00 17.03 C +ATOM 1833 CG PRO B 100 0.234 -8.243 10.793 1.00 17.33 C +ATOM 1834 CD PRO B 100 -0.030 -7.028 11.592 1.00 9.97 C +ATOM 1835 N GLU B 101 2.300 -4.973 9.393 1.00 9.66 N +ATOM 1836 CA GLU B 101 2.927 -3.983 8.469 1.00 11.29 C +ATOM 1837 C GLU B 101 4.322 -3.633 8.825 1.00 17.59 C +ATOM 1838 O GLU B 101 5.293 -3.640 8.196 1.00 16.98 O +ATOM 1839 CB GLU B 101 2.178 -2.819 8.156 1.00 18.71 C +ATOM 1840 CG GLU B 101 2.755 -1.760 7.270 1.00 30.25 C +ATOM 1841 CD GLU B 101 2.569 -2.612 5.445 1.00 26.27 C +ATOM 1842 OE1 GLU B 101 1.725 -3.411 5.564 1.00 25.29 O +ATOM 1843 OE2 GLU B 101 3.441 -1.765 5.293 1.00 34.30 O +ATOM 1844 N ASN B 102 4.601 -3.752 10.314 1.00 12.60 N +ATOM 1845 CA ASN B 102 5.969 -3.548 10.721 1.00 9.48 C +ATOM 1846 C ASN B 102 6.861 -4.572 10.309 1.00 8.44 C +ATOM 1847 O ASN B 102 8.118 -4.224 10.106 1.00 13.92 O +ATOM 1848 CB ASN B 102 5.901 -3.665 12.265 1.00 18.27 C +ATOM 1849 CG ASN B 102 5.284 -2.285 12.825 1.00 26.18 C +ATOM 1850 OD1 ASN B 102 5.641 -1.422 12.815 1.00 20.87 O +ATOM 1851 ND2 ASN B 102 4.003 -2.618 13.502 1.00 25.76 N +ATOM 1852 N PHE B 103 6.584 -5.846 10.057 1.00 11.66 N +ATOM 1853 CA PHE B 103 7.332 -6.920 9.605 1.00 11.79 C +ATOM 1854 C PHE B 103 7.931 -6.435 8.177 1.00 19.35 C +ATOM 1855 O PHE B 103 8.997 -6.751 7.762 1.00 16.06 O +ATOM 1856 CB PHE B 103 6.816 -8.253 9.574 1.00 12.75 C +ATOM 1857 CG PHE B 103 6.173 -8.727 10.951 1.00 17.48 C +ATOM 1858 CD1 PHE B 103 6.884 -8.372 12.079 1.00 13.65 C +ATOM 1859 CD2 PHE B 103 5.035 -9.335 10.925 1.00 13.36 C +ATOM 1860 CE1 PHE B 103 6.240 -8.652 13.315 1.00 14.94 C +ATOM 1861 CE2 PHE B 103 4.498 -9.665 12.273 1.00 14.24 C +ATOM 1862 CZ PHE B 103 5.298 -9.364 13.368 1.00 19.61 C +ATOM 1863 N ARG B 104 6.970 -5.873 7.380 1.00 13.60 N +ATOM 1864 CA ARG B 104 7.430 -5.624 6.005 1.00 17.00 C +ATOM 1865 C ARG B 104 8.326 -4.499 5.935 1.00 13.66 C +ATOM 1866 O ARG B 104 9.337 -4.368 5.141 1.00 13.41 O +ATOM 1867 CB ARG B 104 6.018 -5.177 5.223 1.00 18.62 C +ATOM 1868 CG ARG B 104 5.137 -6.280 4.965 1.00 31.60 C +ATOM 1869 CD ARG B 104 3.494 -6.093 4.370 1.00 44.99 C +ATOM 1870 NE ARG B 104 2.810 -7.429 5.065 1.00 53.69 N +ATOM 1871 CZ ARG B 104 1.600 -6.829 3.420 1.00 80.12 C +ATOM 1872 NH1 ARG B 104 0.761 -5.157 3.344 1.00 72.76 N +ATOM 1873 NH2 ARG B 104 1.186 -8.540 2.528 1.00 80.07 N +ATOM 1874 N LEU B 105 8.064 -3.438 6.831 1.00 12.29 N +ATOM 1875 CA LEU B 105 8.899 -2.275 6.982 1.00 11.07 C +ATOM 1876 C LEU B 105 10.327 -2.808 7.482 1.00 13.91 C +ATOM 1877 O LEU B 105 11.317 -2.347 6.887 1.00 14.94 O +ATOM 1878 CB LEU B 105 8.443 -1.409 8.005 1.00 12.50 C +ATOM 1879 CG LEU B 105 7.121 -0.514 7.549 1.00 17.21 C +ATOM 1880 CD1 LEU B 105 6.747 0.236 8.813 1.00 19.52 C +ATOM 1881 CD2 LEU B 105 7.420 0.384 6.353 1.00 25.82 C +ATOM 1882 N LEU B 106 10.302 -3.738 8.415 1.00 16.16 N +ATOM 1883 CA LEU B 106 11.679 -4.227 8.855 1.00 11.19 C +ATOM 1884 C LEU B 106 12.325 -4.914 7.713 1.00 11.49 C +ATOM 1885 O LEU B 106 13.544 -4.734 7.492 1.00 14.59 O +ATOM 1886 CB LEU B 106 11.615 -5.043 10.074 1.00 9.57 C +ATOM 1887 CG LEU B 106 12.904 -5.567 10.740 1.00 14.52 C +ATOM 1888 CD1 LEU B 106 13.738 -4.483 11.015 1.00 20.21 C +ATOM 1889 CD2 LEU B 106 12.609 -6.504 11.567 1.00 25.23 C +ATOM 1890 N GLY B 107 11.728 -5.699 6.854 1.00 8.80 N +ATOM 1891 CA GLY B 107 12.297 -6.476 5.851 1.00 11.35 C +ATOM 1892 C GLY B 107 12.781 -5.426 4.844 1.00 11.83 C +ATOM 1893 O GLY B 107 13.958 -5.700 4.332 1.00 14.42 O +ATOM 1894 N ASN B 108 12.187 -4.243 4.553 1.00 11.55 N +ATOM 1895 CA ASN B 108 12.802 -3.506 3.538 1.00 9.47 C +ATOM 1896 C ASN B 108 14.026 -2.647 4.184 1.00 9.85 C +ATOM 1897 O ASN B 108 14.983 -2.466 3.460 1.00 13.16 O +ATOM 1898 CB ASN B 108 11.824 -2.458 3.182 1.00 16.47 C +ATOM 1899 CG ASN B 108 10.727 -3.234 1.924 1.00 25.36 C +ATOM 1900 OD1 ASN B 108 11.335 -4.320 1.398 1.00 28.00 O +ATOM 1901 ND2 ASN B 108 10.036 -2.270 2.100 1.00 42.45 N +ATOM 1902 N VAL B 109 14.008 -2.327 5.491 1.00 11.97 N +ATOM 1903 CA VAL B 109 15.193 -1.717 6.001 1.00 8.99 C +ATOM 1904 C VAL B 109 16.259 -2.676 6.124 1.00 12.55 C +ATOM 1905 O VAL B 109 17.518 -2.304 5.902 1.00 13.71 O +ATOM 1906 CB VAL B 109 14.853 -1.250 7.488 1.00 15.07 C +ATOM 1907 CG1 VAL B 109 16.100 -0.810 8.069 1.00 19.91 C +ATOM 1908 CG2 VAL B 109 13.852 0.066 7.393 1.00 15.78 C +ATOM 1909 N LEU B 110 16.030 -4.023 6.388 1.00 9.97 N +ATOM 1910 CA LEU B 110 17.059 -5.101 6.357 1.00 9.78 C +ATOM 1911 C LEU B 110 17.764 -5.056 5.040 1.00 13.14 C +ATOM 1912 O LEU B 110 18.980 -5.187 4.895 1.00 11.97 O +ATOM 1913 CB LEU B 110 16.410 -6.369 6.847 1.00 11.11 C +ATOM 1914 CG LEU B 110 17.490 -7.596 6.862 1.00 18.59 C +ATOM 1915 CD1 LEU B 110 18.696 -7.290 7.723 1.00 24.07 C +ATOM 1916 CD2 LEU B 110 17.031 -8.897 7.193 1.00 21.67 C +ATOM 1917 N VAL B 111 17.015 -5.083 3.938 1.00 10.25 N +ATOM 1918 CA VAL B 111 17.517 -5.121 2.535 1.00 8.08 C +ATOM 1919 C VAL B 111 18.459 -3.959 2.465 1.00 10.10 C +ATOM 1920 O VAL B 111 19.605 -3.960 1.822 1.00 14.18 O +ATOM 1921 CB VAL B 111 16.320 -5.216 1.576 1.00 11.95 C +ATOM 1922 CG1 VAL B 111 16.949 -4.942 0.196 1.00 16.64 C +ATOM 1923 CG2 VAL B 111 15.888 -6.643 1.659 1.00 12.92 C +ATOM 1924 N CYS B 112 18.155 -2.685 2.811 1.00 10.01 N +ATOM 1925 CA CYS B 112 18.863 -1.400 2.699 1.00 9.19 C +ATOM 1926 C CYS B 112 20.143 -1.657 3.581 1.00 14.92 C +ATOM 1927 O CYS B 112 21.199 -1.284 3.015 1.00 13.93 O +ATOM 1928 CB CYS B 112 18.369 -0.230 3.207 1.00 15.04 C +ATOM 1929 SG CYS B 112 16.911 0.308 2.042 1.00 18.10 S +ATOM 1930 N VAL B 113 19.969 -2.202 4.651 1.00 9.52 N +ATOM 1931 CA VAL B 113 21.202 -2.512 5.398 1.00 11.92 C +ATOM 1932 C VAL B 113 22.035 -3.532 4.865 1.00 15.57 C +ATOM 1933 O VAL B 113 23.397 -3.138 4.862 1.00 13.38 O +ATOM 1934 CB VAL B 113 20.888 -2.948 6.932 1.00 12.70 C +ATOM 1935 CG1 VAL B 113 22.031 -3.383 7.663 1.00 17.23 C +ATOM 1936 CG2 VAL B 113 20.282 -1.893 7.694 1.00 17.43 C +ATOM 1937 N LEU B 114 21.768 -4.615 4.224 1.00 10.74 N +ATOM 1938 CA LEU B 114 22.632 -5.454 3.485 1.00 10.20 C +ATOM 1939 C LEU B 114 23.346 -4.641 2.455 1.00 10.87 C +ATOM 1940 O LEU B 114 24.522 -5.071 2.156 1.00 12.76 O +ATOM 1941 CB LEU B 114 21.856 -6.600 3.242 1.00 6.84 C +ATOM 1942 CG LEU B 114 21.362 -7.530 4.328 1.00 10.74 C +ATOM 1943 CD1 LEU B 114 20.435 -8.554 3.798 1.00 15.38 C +ATOM 1944 CD2 LEU B 114 22.500 -8.141 5.077 1.00 21.35 C +ATOM 1945 N ALA B 115 22.472 -3.897 1.677 1.00 9.28 N +ATOM 1946 CA ALA B 115 23.134 -3.206 0.546 1.00 9.22 C +ATOM 1947 C ALA B 115 24.284 -2.278 1.091 1.00 9.44 C +ATOM 1948 O ALA B 115 25.320 -2.142 0.446 1.00 12.10 O +ATOM 1949 CB ALA B 115 21.930 -2.539 -0.036 1.00 12.15 C +ATOM 1950 N HIS B 116 23.975 -1.612 2.171 1.00 13.11 N +ATOM 1951 CA HIS B 116 25.023 -0.593 2.641 1.00 12.81 C +ATOM 1952 C HIS B 116 26.176 -1.395 3.061 1.00 18.85 C +ATOM 1953 O HIS B 116 27.357 -0.986 2.878 1.00 16.05 O +ATOM 1954 CB HIS B 116 24.442 0.070 3.767 1.00 17.43 C +ATOM 1955 CG HIS B 116 25.164 1.158 4.279 1.00 27.80 C +ATOM 1956 ND1 HIS B 116 25.567 1.157 5.736 1.00 27.30 N +ATOM 1957 CD2 HIS B 116 25.793 2.195 3.793 1.00 25.62 C +ATOM 1958 CE1 HIS B 116 26.226 2.480 5.818 1.00 29.22 C +ATOM 1959 NE2 HIS B 116 26.570 2.986 4.660 1.00 26.05 N +ATOM 1960 N HIS B 117 26.066 -2.490 3.850 1.00 11.35 N +ATOM 1961 CA HIS B 117 27.064 -3.366 4.194 1.00 18.75 C +ATOM 1962 C HIS B 117 27.881 -3.985 3.242 1.00 20.53 C +ATOM 1963 O HIS B 117 29.104 -4.114 3.403 1.00 17.07 O +ATOM 1964 CB HIS B 117 26.621 -4.637 5.175 1.00 19.57 C +ATOM 1965 CG HIS B 117 27.096 -4.621 6.444 1.00 39.90 C +ATOM 1966 ND1 HIS B 117 26.039 -3.036 6.824 1.00 47.73 N +ATOM 1967 CD2 HIS B 117 28.146 -5.329 7.512 1.00 38.82 C +ATOM 1968 CE1 HIS B 117 26.295 -2.928 8.550 1.00 27.38 C +ATOM 1969 NE2 HIS B 117 26.763 -4.335 8.924 1.00 51.83 N +ATOM 1970 N PHE B 118 27.367 -4.628 2.104 1.00 13.44 N +ATOM 1971 CA PHE B 118 27.888 -5.419 1.096 1.00 13.47 C +ATOM 1972 C PHE B 118 28.280 -4.574 -0.126 1.00 14.52 C +ATOM 1973 O PHE B 118 29.082 -5.219 -0.874 1.00 15.85 O +ATOM 1974 CB PHE B 118 27.174 -6.618 0.947 1.00 14.99 C +ATOM 1975 CG PHE B 118 27.310 -7.470 1.980 1.00 22.65 C +ATOM 1976 CD1 PHE B 118 26.224 -7.666 2.855 1.00 28.61 C +ATOM 1977 CD2 PHE B 118 28.549 -8.159 2.601 1.00 34.26 C +ATOM 1978 CE1 PHE B 118 26.242 -8.675 3.981 1.00 29.50 C +ATOM 1979 CE2 PHE B 118 28.351 -9.080 3.277 1.00 36.60 C +ATOM 1980 CZ PHE B 118 27.627 -9.130 4.417 1.00 30.15 C +ATOM 1981 N GLY B 119 27.701 -3.412 -0.335 1.00 13.81 N +ATOM 1982 CA GLY B 119 28.107 -2.567 -1.533 1.00 14.28 C +ATOM 1983 C GLY B 119 27.814 -3.353 -2.686 1.00 17.07 C +ATOM 1984 O GLY B 119 26.808 -4.212 -2.888 1.00 16.48 O +ATOM 1985 N LYS B 120 28.740 -3.472 -3.465 1.00 19.17 N +ATOM 1986 CA LYS B 120 28.535 -4.059 -4.848 1.00 27.00 C +ATOM 1987 C LYS B 120 28.486 -5.640 -4.886 1.00 25.94 C +ATOM 1988 O LYS B 120 27.868 -6.039 -5.935 1.00 20.66 O +ATOM 1989 CB LYS B 120 29.863 -3.838 -5.852 1.00 31.85 C +ATOM 1990 CG LYS B 120 30.960 -4.510 -5.562 1.00 36.58 C +ATOM 1991 CD LYS B 120 32.161 -4.170 -6.625 1.00 49.76 C +ATOM 1992 CE LYS B 120 33.201 -5.292 -5.966 1.00 55.47 C +ATOM 1993 NZ LYS B 120 34.292 -5.686 -6.589 1.00 71.03 N +ATOM 1994 N GLU B 121 28.720 -6.302 -3.902 1.00 20.26 N +ATOM 1995 CA GLU B 121 28.393 -7.556 -3.778 1.00 15.17 C +ATOM 1996 C GLU B 121 26.786 -7.871 -3.622 1.00 13.63 C +ATOM 1997 O GLU B 121 26.362 -9.055 -3.923 1.00 17.16 O +ATOM 1998 CB GLU B 121 29.233 -8.318 -2.533 1.00 29.40 C +ATOM 1999 CG GLU B 121 29.541 -9.342 -2.700 1.00 50.25 C +ATOM 2000 CD GLU B 121 30.241 -9.882 -0.830 1.00 42.74 C +ATOM 2001 OE1 GLU B 121 29.786 -11.667 -1.141 1.00 47.83 O +ATOM 2002 OE2 GLU B 121 31.217 -9.425 -1.168 1.00 34.52 O +ATOM 2003 N PHE B 122 26.054 -6.831 -3.241 1.00 14.63 N +ATOM 2004 CA PHE B 122 24.581 -7.077 -3.075 1.00 15.34 C +ATOM 2005 C PHE B 122 24.015 -6.737 -4.532 1.00 13.61 C +ATOM 2006 O PHE B 122 23.478 -5.701 -4.760 1.00 14.29 O +ATOM 2007 CB PHE B 122 24.133 -6.005 -1.987 1.00 12.07 C +ATOM 2008 CG PHE B 122 22.750 -6.466 -1.525 1.00 11.02 C +ATOM 2009 CD1 PHE B 122 22.540 -7.652 -0.894 1.00 16.65 C +ATOM 2010 CD2 PHE B 122 21.790 -5.593 -1.747 1.00 10.83 C +ATOM 2011 CE1 PHE B 122 21.288 -8.069 -0.329 1.00 13.73 C +ATOM 2012 CE2 PHE B 122 20.427 -5.937 -1.325 1.00 12.97 C +ATOM 2013 CZ PHE B 122 20.322 -7.247 -0.672 1.00 16.05 C +ATOM 2014 N THR B 123 24.216 -7.664 -5.332 1.00 18.07 N +ATOM 2015 CA THR B 123 23.866 -7.444 -6.796 1.00 21.03 C +ATOM 2016 C THR B 123 22.176 -7.347 -6.888 1.00 27.18 C +ATOM 2017 O THR B 123 21.678 -7.911 -6.078 1.00 14.31 O +ATOM 2018 CB THR B 123 24.352 -8.535 -7.622 1.00 19.82 C +ATOM 2019 OG1 THR B 123 24.030 -9.746 -7.305 1.00 17.47 O +ATOM 2020 CG2 THR B 123 25.945 -8.568 -7.681 1.00 22.67 C +ATOM 2021 N PRO B 124 21.821 -7.033 -7.981 1.00 19.47 N +ATOM 2022 CA PRO B 124 20.309 -7.060 -8.306 1.00 20.19 C +ATOM 2023 C PRO B 124 19.874 -8.457 -8.199 1.00 20.69 C +ATOM 2024 O PRO B 124 18.738 -8.543 -7.455 1.00 13.34 O +ATOM 2025 CB PRO B 124 20.074 -6.480 -9.678 1.00 17.09 C +ATOM 2026 CG PRO B 124 21.308 -5.510 -9.842 1.00 18.87 C +ATOM 2027 CD PRO B 124 22.649 -6.190 -9.202 1.00 24.42 C +ATOM 2028 N PRO B 125 20.354 -9.489 -8.576 1.00 16.20 N +ATOM 2029 CA PRO B 125 19.952 -10.892 -8.433 1.00 16.84 C +ATOM 2030 C PRO B 125 19.925 -11.341 -6.992 1.00 14.92 C +ATOM 2031 O PRO B 125 18.950 -11.983 -6.530 1.00 16.05 O +ATOM 2032 CB PRO B 125 20.675 -11.924 -9.198 1.00 19.48 C +ATOM 2033 CG PRO B 125 21.240 -11.056 -10.143 1.00 21.56 C +ATOM 2034 CD PRO B 125 21.611 -9.723 -9.654 1.00 25.73 C +ATOM 2035 N VAL B 126 20.904 -10.923 -6.329 1.00 13.83 N +ATOM 2036 CA VAL B 126 20.919 -11.183 -4.904 1.00 19.80 C +ATOM 2037 C VAL B 126 20.061 -10.295 -4.143 1.00 14.89 C +ATOM 2038 O VAL B 126 19.229 -10.946 -3.203 1.00 13.92 O +ATOM 2039 CB VAL B 126 22.424 -10.769 -4.382 1.00 19.55 C +ATOM 2040 CG1 VAL B 126 22.408 -11.156 -2.912 1.00 21.55 C +ATOM 2041 CG2 VAL B 126 23.366 -11.841 -4.809 1.00 27.82 C +ATOM 2042 N GLN B 127 19.711 -9.155 -4.321 1.00 13.64 N +ATOM 2043 CA GLN B 127 18.607 -8.382 -3.880 1.00 9.72 C +ATOM 2044 C GLN B 127 17.397 -9.130 -3.899 1.00 16.14 C +ATOM 2045 O GLN B 127 16.431 -9.272 -3.189 1.00 12.24 O +ATOM 2046 CB GLN B 127 18.574 -6.951 -4.292 1.00 13.15 C +ATOM 2047 CG GLN B 127 17.258 -6.340 -3.818 1.00 13.42 C +ATOM 2048 CD GLN B 127 17.180 -5.056 -4.465 1.00 16.28 C +ATOM 2049 OE1 GLN B 127 17.979 -4.488 -5.247 1.00 16.20 O +ATOM 2050 NE2 GLN B 127 16.107 -4.400 -4.118 1.00 19.47 N +ATOM 2051 N ALA B 128 17.014 -9.478 -5.230 1.00 15.15 N +ATOM 2052 CA ALA B 128 15.847 -10.225 -5.543 1.00 15.02 C +ATOM 2053 C ALA B 128 15.496 -11.450 -4.737 1.00 11.97 C +ATOM 2054 O ALA B 128 14.413 -11.642 -4.228 1.00 16.35 O +ATOM 2055 CB ALA B 128 15.759 -10.403 -7.092 1.00 17.08 C +ATOM 2056 N ALA B 129 16.462 -12.287 -4.461 1.00 13.66 N +ATOM 2057 CA ALA B 129 16.408 -13.427 -3.647 1.00 13.76 C +ATOM 2058 C ALA B 129 16.208 -12.966 -2.160 1.00 10.22 C +ATOM 2059 O ALA B 129 15.192 -13.627 -1.584 1.00 10.46 O +ATOM 2060 CB ALA B 129 17.632 -14.165 -3.702 1.00 13.23 C +ATOM 2061 N TYR B 130 16.867 -11.953 -1.693 1.00 10.66 N +ATOM 2062 CA TYR B 130 16.462 -11.629 -0.331 1.00 13.05 C +ATOM 2063 C TYR B 130 15.102 -10.929 -0.163 1.00 11.70 C +ATOM 2064 O TYR B 130 14.473 -11.012 0.813 1.00 11.83 O +ATOM 2065 CB TYR B 130 17.543 -10.575 0.161 1.00 11.97 C +ATOM 2066 CG TYR B 130 18.623 -11.287 0.924 1.00 13.90 C +ATOM 2067 CD1 TYR B 130 18.650 -11.526 2.272 1.00 15.61 C +ATOM 2068 CD2 TYR B 130 19.782 -11.574 0.237 1.00 14.18 C +ATOM 2069 CE1 TYR B 130 19.630 -12.272 2.811 1.00 19.97 C +ATOM 2070 CE2 TYR B 130 20.865 -12.543 0.889 1.00 19.65 C +ATOM 2071 CZ TYR B 130 20.770 -12.571 2.260 1.00 22.28 C +ATOM 2072 OH TYR B 130 21.731 -13.339 2.902 1.00 21.52 O +ATOM 2073 N GLN B 131 14.606 -10.236 -1.202 1.00 12.03 N +ATOM 2074 CA GLN B 131 13.282 -9.830 -1.214 1.00 12.03 C +ATOM 2075 C GLN B 131 12.216 -10.851 -1.125 1.00 12.76 C +ATOM 2076 O GLN B 131 11.369 -10.664 -0.189 1.00 15.09 O +ATOM 2077 CB GLN B 131 12.944 -9.078 -2.464 1.00 14.85 C +ATOM 2078 CG GLN B 131 13.735 -7.716 -2.449 1.00 19.57 C +ATOM 2079 CD GLN B 131 13.251 -6.548 -1.638 1.00 22.82 C +ATOM 2080 OE1 GLN B 131 13.981 -5.553 -1.833 1.00 18.44 O +ATOM 2081 NE2 GLN B 131 12.251 -6.415 -0.990 1.00 16.43 N +ATOM 2082 N LYS B 132 12.503 -11.991 -1.746 1.00 12.50 N +ATOM 2083 CA LYS B 132 11.644 -13.098 -1.708 1.00 14.23 C +ATOM 2084 C LYS B 132 11.592 -13.603 -0.224 1.00 17.46 C +ATOM 2085 O LYS B 132 10.599 -13.851 0.497 1.00 14.87 O +ATOM 2086 CB LYS B 132 11.937 -14.147 -2.452 1.00 19.74 C +ATOM 2087 CG LYS B 132 11.561 -13.879 -3.966 1.00 26.28 C +ATOM 2088 CD LYS B 132 11.989 -15.031 -4.739 1.00 31.58 C +ATOM 2089 CE LYS B 132 11.660 -14.274 -6.180 1.00 32.98 C +ATOM 2090 NZ LYS B 132 12.119 -15.998 -6.779 1.00 37.48 N +ATOM 2091 N VAL B 133 12.856 -13.702 0.483 1.00 17.22 N +ATOM 2092 CA VAL B 133 13.038 -14.205 1.805 1.00 11.45 C +ATOM 2093 C VAL B 133 12.401 -13.319 2.840 1.00 11.90 C +ATOM 2094 O VAL B 133 11.556 -13.799 3.731 1.00 13.71 O +ATOM 2095 CB VAL B 133 14.459 -14.401 2.160 1.00 16.41 C +ATOM 2096 CG1 VAL B 133 14.632 -14.683 3.511 1.00 36.18 C +ATOM 2097 CG2 VAL B 133 15.014 -15.541 1.250 1.00 15.51 C +ATOM 2098 N VAL B 134 12.512 -11.981 2.749 1.00 13.21 N +ATOM 2099 CA VAL B 134 12.091 -11.081 3.574 1.00 12.26 C +ATOM 2100 C VAL B 134 10.632 -11.128 3.483 1.00 16.19 C +ATOM 2101 O VAL B 134 9.763 -10.888 4.517 1.00 17.40 O +ATOM 2102 CB VAL B 134 12.356 -9.643 3.780 1.00 11.96 C +ATOM 2103 CG1 VAL B 134 13.841 -9.777 4.082 1.00 18.38 C +ATOM 2104 CG2 VAL B 134 12.314 -8.873 2.475 1.00 14.78 C +ATOM 2105 N ALA B 135 9.938 -11.113 2.262 1.00 13.32 N +ATOM 2106 CA ALA B 135 8.505 -11.237 2.119 1.00 21.37 C +ATOM 2107 C ALA B 135 7.942 -12.494 2.777 1.00 17.09 C +ATOM 2108 O ALA B 135 6.829 -12.512 3.348 1.00 17.43 O +ATOM 2109 CB ALA B 135 8.135 -10.953 0.769 1.00 28.77 C +ATOM 2110 N GLY B 136 8.572 -13.635 2.636 1.00 18.26 N +ATOM 2111 CA GLY B 136 8.219 -15.058 3.189 1.00 19.82 C +ATOM 2112 C GLY B 136 8.146 -14.912 4.633 1.00 16.67 C +ATOM 2113 O GLY B 136 7.260 -15.405 5.231 1.00 15.34 O +ATOM 2114 N VAL B 137 9.300 -14.354 5.275 1.00 19.06 N +ATOM 2115 CA VAL B 137 9.275 -14.229 6.676 1.00 13.40 C +ATOM 2116 C VAL B 137 8.222 -13.320 7.172 1.00 14.98 C +ATOM 2117 O VAL B 137 7.448 -13.726 8.127 1.00 15.32 O +ATOM 2118 CB VAL B 137 10.681 -13.683 7.141 1.00 12.05 C +ATOM 2119 CG1 VAL B 137 10.587 -13.517 8.589 1.00 24.37 C +ATOM 2120 CG2 VAL B 137 11.663 -14.723 6.701 1.00 11.44 C +ATOM 2121 N ALA B 138 7.830 -12.223 6.567 1.00 14.63 N +ATOM 2122 CA ALA B 138 6.739 -11.343 6.960 1.00 14.97 C +ATOM 2123 C ALA B 138 5.477 -12.035 7.025 1.00 14.00 C +ATOM 2124 O ALA B 138 4.520 -11.965 7.766 1.00 15.18 O +ATOM 2125 CB ALA B 138 6.733 -10.129 6.135 1.00 21.60 C +ATOM 2126 N ASN B 139 5.257 -12.632 5.801 1.00 14.76 N +ATOM 2127 CA ASN B 139 3.965 -13.443 5.693 1.00 19.56 C +ATOM 2128 C ASN B 139 3.788 -14.741 6.508 1.00 16.64 C +ATOM 2129 O ASN B 139 2.773 -14.813 7.122 1.00 15.66 O +ATOM 2130 CB ASN B 139 3.915 -14.281 4.273 1.00 32.30 C +ATOM 2131 CG ASN B 139 3.642 -13.817 3.893 1.00 58.46 C +ATOM 2132 OD1 ASN B 139 3.350 -12.337 3.410 1.00 49.38 O +ATOM 2133 ND2 ASN B 139 4.138 -13.358 1.997 1.00 59.02 N +ATOM 2134 N ALA B 140 4.975 -15.279 6.996 1.00 12.53 N +ATOM 2135 CA ALA B 140 4.880 -16.341 7.880 1.00 19.39 C +ATOM 2136 C ALA B 140 4.686 -15.725 9.225 1.00 15.37 C +ATOM 2137 O ALA B 140 3.890 -16.337 10.107 1.00 15.92 O +ATOM 2138 CB ALA B 140 6.298 -17.186 7.962 1.00 22.20 C +ATOM 2139 N LEU B 141 5.135 -14.663 9.697 1.00 12.47 N +ATOM 2140 CA LEU B 141 4.897 -13.957 10.913 1.00 15.63 C +ATOM 2141 C LEU B 141 3.480 -13.697 11.034 1.00 21.66 C +ATOM 2142 O LEU B 141 2.905 -13.294 12.092 1.00 17.40 O +ATOM 2143 CB LEU B 141 5.926 -12.962 11.275 1.00 15.12 C +ATOM 2144 CG LEU B 141 7.158 -13.407 11.868 1.00 17.02 C +ATOM 2145 CD1 LEU B 141 8.083 -12.226 12.076 1.00 19.94 C +ATOM 2146 CD2 LEU B 141 7.122 -13.935 13.238 1.00 21.74 C +ATOM 2147 N ALA B 142 2.836 -13.244 9.876 1.00 12.86 N +ATOM 2148 CA ALA B 142 1.608 -12.628 9.849 1.00 14.61 C +ATOM 2149 C ALA B 142 0.405 -13.995 9.823 1.00 20.31 C +ATOM 2150 O ALA B 142 -0.813 -13.424 10.022 1.00 18.06 O +ATOM 2151 CB ALA B 142 1.282 -11.676 8.702 1.00 21.40 C +ATOM 2152 N HIS B 143 0.842 -15.030 9.582 1.00 17.95 N +ATOM 2153 CA HIS B 143 0.024 -16.256 9.074 1.00 26.37 C +ATOM 2154 C HIS B 143 -1.200 -16.456 10.329 1.00 19.76 C +ATOM 2155 O HIS B 143 -2.306 -16.886 9.956 1.00 21.59 O +ATOM 2156 CB HIS B 143 0.773 -17.382 8.911 1.00 35.96 C +ATOM 2157 CG HIS B 143 -0.236 -18.629 8.237 1.00 57.59 C +ATOM 2158 ND1 HIS B 143 0.057 -19.594 9.608 1.00 48.44 N +ATOM 2159 CD2 HIS B 143 -0.841 -18.281 7.293 1.00 54.87 C +ATOM 2160 CE1 HIS B 143 -0.983 -20.316 8.077 1.00 74.03 C +ATOM 2161 NE2 HIS B 143 -1.640 -19.381 7.013 1.00 57.99 N +ATOM 2162 N LYS B 144 -0.804 -16.302 11.559 1.00 18.69 N +ATOM 2163 CA LYS B 144 -1.735 -16.737 12.588 1.00 14.86 C +ATOM 2164 C LYS B 144 -2.396 -15.617 12.962 1.00 16.55 C +ATOM 2165 O LYS B 144 -3.129 -15.705 14.113 1.00 18.03 O +ATOM 2166 CB LYS B 144 -0.819 -17.365 13.621 1.00 17.13 C +ATOM 2167 CG LYS B 144 -0.392 -18.897 13.123 1.00 20.99 C +ATOM 2168 CD LYS B 144 -1.238 -19.970 13.316 1.00 34.56 C +ATOM 2169 CE LYS B 144 -2.035 -21.775 13.683 1.00 62.41 C +ATOM 2170 NZ LYS B 144 -0.955 -22.424 15.226 1.00 62.40 N +ATOM 2171 N TYR B 145 -2.408 -14.424 12.668 1.00 19.33 N +ATOM 2172 CA TYR B 145 -3.111 -13.193 12.851 1.00 25.80 C +ATOM 2173 C TYR B 145 -4.833 -13.485 12.942 1.00 37.10 C +ATOM 2174 O TYR B 145 -4.989 -14.273 11.858 1.00 25.59 O +ATOM 2175 CB TYR B 145 -2.815 -11.990 12.502 1.00 20.19 C +ATOM 2176 CG TYR B 145 -1.513 -11.202 13.062 1.00 16.11 C +ATOM 2177 CD1 TYR B 145 -1.713 -10.043 13.732 1.00 13.84 C +ATOM 2178 CD2 TYR B 145 -0.444 -12.052 12.964 1.00 19.35 C +ATOM 2179 CE1 TYR B 145 -0.716 -9.470 14.306 1.00 14.00 C +ATOM 2180 CE2 TYR B 145 0.824 -11.431 13.760 1.00 16.15 C +ATOM 2181 CZ TYR B 145 0.705 -10.123 14.396 1.00 11.23 C +ATOM 2182 OH TYR B 145 1.824 -9.505 14.779 1.00 11.07 O +ATOM 2183 N HIS B 146 -5.455 -13.156 13.610 1.00 22.40 N +ATOM 2184 CA HIS B 146 -7.082 -13.260 13.817 1.00 24.36 C +ATOM 2185 C HIS B 146 -7.642 -12.243 14.547 1.00 19.29 C +ATOM 2186 O HIS B 146 -6.896 -11.423 15.229 1.00 20.20 O +ATOM 2187 CB HIS B 146 -7.319 -14.676 14.251 1.00 17.91 C +ATOM 2188 CG HIS B 146 -7.349 -14.408 16.278 1.00 30.29 C +ATOM 2189 ND1 HIS B 146 -7.504 -15.329 16.577 1.00 56.02 N +ATOM 2190 CD2 HIS B 146 -5.754 -14.700 16.400 1.00 32.02 C +ATOM 2191 CE1 HIS B 146 -6.763 -15.571 18.243 1.00 45.40 C +ATOM 2192 NE2 HIS B 146 -6.023 -14.569 17.782 1.00 35.25 N +ATOM 2193 OXT HIS B 146 -8.867 -12.118 14.478 1.00 28.98 O +TER 2194 HIS B 146 +ATOM 2195 N VAL C 1 -6.932 15.801 -4.736 1.00 53.78 N +ATOM 2196 CA VAL C 1 -6.986 18.132 -4.726 1.00 39.83 C +ATOM 2197 C VAL C 1 -8.725 18.013 -5.289 1.00 29.73 C +ATOM 2198 O VAL C 1 -9.322 17.317 -6.202 1.00 31.20 O +ATOM 2199 CB VAL C 1 -6.406 17.702 -5.747 1.00 52.94 C +ATOM 2200 CG1 VAL C 1 -7.045 19.788 -6.149 1.00 47.73 C +ATOM 2201 CG2 VAL C 1 -5.138 19.765 -5.197 1.00 67.01 C +ATOM 2202 N LEU C 2 -9.481 18.489 -4.357 1.00 33.50 N +ATOM 2203 CA LEU C 2 -10.829 18.318 -4.244 1.00 35.54 C +ATOM 2204 C LEU C 2 -11.593 19.461 -5.392 1.00 25.83 C +ATOM 2205 O LEU C 2 -11.224 20.587 -4.763 1.00 37.30 O +ATOM 2206 CB LEU C 2 -11.320 18.570 -2.993 1.00 38.49 C +ATOM 2207 CG LEU C 2 -11.368 17.191 -2.068 1.00 34.89 C +ATOM 2208 CD1 LEU C 2 -11.559 17.406 -0.855 1.00 40.00 C +ATOM 2209 CD2 LEU C 2 -11.556 16.072 -2.571 1.00 36.30 C +ATOM 2210 N SER C 3 -12.051 19.126 -6.445 1.00 20.82 N +ATOM 2211 CA SER C 3 -12.764 20.102 -7.265 1.00 16.99 C +ATOM 2212 C SER C 3 -13.851 20.641 -6.492 1.00 19.86 C +ATOM 2213 O SER C 3 -14.562 20.118 -5.605 1.00 23.30 O +ATOM 2214 CB SER C 3 -12.915 19.412 -8.479 1.00 21.69 C +ATOM 2215 OG SER C 3 -14.045 18.617 -8.438 1.00 24.96 O +ATOM 2216 N PRO C 4 -14.614 21.747 -7.040 1.00 27.73 N +ATOM 2217 CA PRO C 4 -15.686 22.248 -6.606 1.00 18.30 C +ATOM 2218 C PRO C 4 -16.940 21.185 -6.683 1.00 21.79 C +ATOM 2219 O PRO C 4 -17.669 21.118 -5.776 1.00 30.78 O +ATOM 2220 CB PRO C 4 -16.024 23.555 -7.534 1.00 35.17 C +ATOM 2221 CG PRO C 4 -14.548 23.940 -7.997 1.00 39.10 C +ATOM 2222 CD PRO C 4 -13.753 22.599 -7.931 1.00 33.69 C +ATOM 2223 N ALA C 5 -16.700 20.569 -7.707 1.00 20.53 N +ATOM 2224 CA ALA C 5 -17.694 19.448 -7.877 1.00 15.17 C +ATOM 2225 C ALA C 5 -17.668 18.427 -6.566 1.00 17.36 C +ATOM 2226 O ALA C 5 -18.567 17.818 -6.161 1.00 18.86 O +ATOM 2227 CB ALA C 5 -17.845 18.678 -9.144 1.00 14.70 C +ATOM 2228 N ASP C 6 -16.408 17.997 -6.530 1.00 17.28 N +ATOM 2229 CA ASP C 6 -16.090 17.056 -5.440 1.00 13.65 C +ATOM 2230 C ASP C 6 -16.737 17.558 -4.126 1.00 16.19 C +ATOM 2231 O ASP C 6 -17.234 16.746 -3.292 1.00 18.77 O +ATOM 2232 CB ASP C 6 -14.589 16.808 -5.234 1.00 14.90 C +ATOM 2233 CG ASP C 6 -14.039 15.955 -6.391 1.00 15.46 C +ATOM 2234 OD1 ASP C 6 -14.772 14.926 -6.958 1.00 20.59 O +ATOM 2235 OD2 ASP C 6 -12.866 16.168 -6.605 1.00 19.80 O +ATOM 2236 N LYS C 7 -16.400 18.816 -3.902 1.00 17.95 N +ATOM 2237 CA LYS C 7 -17.103 19.561 -2.483 1.00 25.53 C +ATOM 2238 C LYS C 7 -18.248 19.426 -2.208 1.00 19.12 C +ATOM 2239 O LYS C 7 -18.931 19.046 -1.371 1.00 19.71 O +ATOM 2240 CB LYS C 7 -16.318 20.793 -2.391 1.00 27.50 C +ATOM 2241 CG LYS C 7 -14.901 20.741 -2.614 1.00 53.71 C +ATOM 2242 CD LYS C 7 -13.993 22.186 -1.677 1.00 60.72 C +ATOM 2243 CE LYS C 7 -13.186 22.490 -2.528 1.00 63.74 C +ATOM 2244 NZ LYS C 7 -12.305 23.225 -2.858 1.00 80.12 N +ATOM 2245 N THR C 8 -18.940 19.776 -3.501 1.00 18.59 N +ATOM 2246 CA THR C 8 -20.439 19.567 -3.523 1.00 17.68 C +ATOM 2247 C THR C 8 -21.010 18.410 -3.219 1.00 15.92 C +ATOM 2248 O THR C 8 -21.956 18.189 -2.497 1.00 18.11 O +ATOM 2249 CB THR C 8 -21.005 20.281 -5.121 1.00 18.41 C +ATOM 2250 OG1 THR C 8 -20.596 21.570 -4.936 1.00 22.00 O +ATOM 2251 CG2 THR C 8 -22.332 20.382 -5.020 1.00 19.72 C +ATOM 2252 N ASN C 9 -20.389 17.337 -3.881 1.00 14.52 N +ATOM 2253 CA ASN C 9 -20.679 15.854 -3.720 1.00 11.76 C +ATOM 2254 C ASN C 9 -20.524 15.368 -2.372 1.00 13.43 C +ATOM 2255 O ASN C 9 -21.452 14.760 -1.788 1.00 14.77 O +ATOM 2256 CB ASN C 9 -19.952 14.978 -4.802 1.00 15.52 C +ATOM 2257 CG ASN C 9 -20.502 14.902 -6.224 1.00 21.23 C +ATOM 2258 OD1 ASN C 9 -21.551 15.460 -6.366 1.00 17.78 O +ATOM 2259 ND2 ASN C 9 -19.655 14.764 -7.036 1.00 16.93 N +ATOM 2260 N VAL C 10 -19.456 15.819 -1.845 1.00 15.37 N +ATOM 2261 CA VAL C 10 -19.214 15.430 -0.511 1.00 15.09 C +ATOM 2262 C VAL C 10 -20.248 16.151 0.791 1.00 19.82 C +ATOM 2263 O VAL C 10 -20.653 15.344 1.499 1.00 21.55 O +ATOM 2264 CB VAL C 10 -17.776 15.740 -0.056 1.00 23.83 C +ATOM 2265 CG1 VAL C 10 -17.369 15.319 1.491 1.00 26.38 C +ATOM 2266 CG2 VAL C 10 -16.835 14.843 -0.837 1.00 22.96 C +ATOM 2267 N LYS C 11 -20.423 17.395 0.515 1.00 19.06 N +ATOM 2268 CA LYS C 11 -21.545 18.040 1.267 1.00 21.27 C +ATOM 2269 C LYS C 11 -22.705 17.621 1.194 1.00 24.36 C +ATOM 2270 O LYS C 11 -23.497 17.219 2.050 1.00 26.88 O +ATOM 2271 CB LYS C 11 -21.200 19.455 1.180 1.00 24.11 C +ATOM 2272 CG LYS C 11 -19.982 20.187 1.471 1.00 39.96 C +ATOM 2273 CD LYS C 11 -20.184 21.708 1.326 1.00 36.60 C +ATOM 2274 CE LYS C 11 -19.119 22.424 1.599 1.00 40.99 C +ATOM 2275 NZ LYS C 11 -18.303 23.379 0.156 1.00 57.68 N +ATOM 2276 N ALA C 12 -23.071 17.255 -0.098 1.00 26.89 N +ATOM 2277 CA ALA C 12 -24.190 16.574 -0.166 1.00 22.80 C +ATOM 2278 C ALA C 12 -24.709 15.466 0.479 1.00 22.96 C +ATOM 2279 O ALA C 12 -25.641 14.894 1.303 1.00 25.17 O +ATOM 2280 CB ALA C 12 -24.758 16.354 -1.436 1.00 30.68 C +ATOM 2281 N ALA C 13 -23.698 14.326 0.213 1.00 19.81 N +ATOM 2282 CA ALA C 13 -23.581 12.980 0.775 1.00 20.52 C +ATOM 2283 C ALA C 13 -23.620 13.074 2.219 1.00 17.10 C +ATOM 2284 O ALA C 13 -24.459 12.346 2.958 1.00 22.70 O +ATOM 2285 CB ALA C 13 -22.559 12.176 0.137 1.00 20.00 C +ATOM 2286 N TRP C 14 -22.646 13.784 2.878 1.00 18.93 N +ATOM 2287 CA TRP C 14 -22.430 13.732 4.346 1.00 19.61 C +ATOM 2288 C TRP C 14 -23.567 14.473 4.894 1.00 29.50 C +ATOM 2289 O TRP C 14 -24.277 14.100 6.022 1.00 22.89 O +ATOM 2290 CB TRP C 14 -21.334 14.670 4.695 1.00 20.94 C +ATOM 2291 CG TRP C 14 -20.803 14.092 5.924 1.00 20.44 C +ATOM 2292 CD1 TRP C 14 -21.097 15.028 7.151 1.00 25.06 C +ATOM 2293 CD2 TRP C 14 -20.135 12.848 6.216 1.00 19.23 C +ATOM 2294 NE1 TRP C 14 -20.337 14.117 8.027 1.00 26.03 N +ATOM 2295 CE2 TRP C 14 -19.941 12.969 7.773 1.00 27.20 C +ATOM 2296 CE3 TRP C 14 -19.861 11.878 5.555 1.00 24.26 C +ATOM 2297 CZ2 TRP C 14 -19.510 11.822 8.284 1.00 29.42 C +ATOM 2298 CZ3 TRP C 14 -19.277 10.605 6.015 1.00 27.47 C +ATOM 2299 CH2 TRP C 14 -19.230 10.798 7.728 1.00 31.11 C +ATOM 2300 N GLY C 15 -24.359 15.298 4.516 1.00 39.26 N +ATOM 2301 CA GLY C 15 -25.631 16.086 4.525 1.00 27.60 C +ATOM 2302 C GLY C 15 -26.650 15.043 4.748 1.00 35.88 C +ATOM 2303 O GLY C 15 -27.292 14.929 6.180 1.00 44.35 O +ATOM 2304 N LYS C 16 -26.927 14.192 4.125 1.00 34.61 N +ATOM 2305 CA LYS C 16 -27.870 13.141 3.632 1.00 36.98 C +ATOM 2306 C LYS C 16 -27.538 12.020 5.023 1.00 26.09 C +ATOM 2307 O LYS C 16 -28.345 11.313 5.635 1.00 33.01 O +ATOM 2308 CB LYS C 16 -28.251 12.406 2.440 1.00 27.30 C +ATOM 2309 CG LYS C 16 -30.036 12.836 1.831 1.00 50.84 C +ATOM 2310 CD LYS C 16 -30.158 11.081 2.262 1.00 68.28 C +ATOM 2311 CE LYS C 16 -32.371 10.866 2.370 1.00 73.16 C +ATOM 2312 NZ LYS C 16 -32.038 9.453 3.272 1.00 69.52 N +ATOM 2313 N VAL C 17 -26.252 12.133 5.573 1.00 35.88 N +ATOM 2314 CA VAL C 17 -25.770 11.297 6.645 1.00 27.62 C +ATOM 2315 C VAL C 17 -26.612 11.695 7.685 1.00 30.67 C +ATOM 2316 O VAL C 17 -27.281 11.042 8.701 1.00 29.27 O +ATOM 2317 CB VAL C 17 -24.169 10.853 6.795 1.00 24.84 C +ATOM 2318 CG1 VAL C 17 -23.946 10.589 8.064 1.00 24.66 C +ATOM 2319 CG2 VAL C 17 -23.794 9.916 5.483 1.00 36.95 C +ATOM 2320 N GLY C 18 -26.104 13.085 7.958 1.00 37.42 N +ATOM 2321 CA GLY C 18 -26.962 13.614 9.161 1.00 36.79 C +ATOM 2322 C GLY C 18 -26.609 13.344 10.447 1.00 35.54 C +ATOM 2323 O GLY C 18 -25.379 12.833 10.941 1.00 34.05 O +ATOM 2324 N ALA C 19 -27.875 13.044 10.943 1.00 30.07 N +ATOM 2325 CA ALA C 19 -27.686 12.652 12.207 1.00 42.34 C +ATOM 2326 C ALA C 19 -27.441 11.246 12.497 1.00 38.75 C +ATOM 2327 O ALA C 19 -27.016 10.579 13.697 1.00 34.11 O +ATOM 2328 CB ALA C 19 -28.889 12.929 12.875 1.00 49.98 C +ATOM 2329 N HIS C 20 -27.337 10.243 11.555 1.00 27.23 N +ATOM 2330 CA HIS C 20 -26.912 8.767 11.705 1.00 31.96 C +ATOM 2331 C HIS C 20 -25.296 8.716 11.689 1.00 24.34 C +ATOM 2332 O HIS C 20 -24.833 7.499 11.716 1.00 23.07 O +ATOM 2333 CB HIS C 20 -27.281 8.149 10.528 1.00 47.99 C +ATOM 2334 CG HIS C 20 -28.926 8.104 10.076 1.00 49.70 C +ATOM 2335 ND1 HIS C 20 -29.432 7.280 11.405 1.00 46.00 N +ATOM 2336 CD2 HIS C 20 -29.730 9.020 9.630 1.00 46.72 C +ATOM 2337 CE1 HIS C 20 -31.098 7.852 11.111 1.00 49.28 C +ATOM 2338 NE2 HIS C 20 -30.830 8.671 9.800 1.00 51.94 N +ATOM 2339 N ALA C 21 -24.619 9.813 11.399 1.00 28.71 N +ATOM 2340 CA ALA C 21 -23.098 9.802 11.331 1.00 32.59 C +ATOM 2341 C ALA C 21 -22.391 9.015 12.473 1.00 33.22 C +ATOM 2342 O ALA C 21 -21.700 8.030 11.964 1.00 25.05 O +ATOM 2343 CB ALA C 21 -22.805 11.312 11.238 1.00 28.99 C +ATOM 2344 N GLY C 22 -22.670 8.973 13.605 1.00 30.50 N +ATOM 2345 CA GLY C 22 -22.269 8.117 14.625 1.00 25.20 C +ATOM 2346 C GLY C 22 -22.605 6.970 14.498 1.00 28.87 C +ATOM 2347 O GLY C 22 -21.738 5.901 14.583 1.00 21.09 O +ATOM 2348 N GLU C 23 -23.752 6.203 14.168 1.00 19.95 N +ATOM 2349 CA GLU C 23 -24.151 4.976 13.969 1.00 21.38 C +ATOM 2350 C GLU C 23 -23.181 4.329 12.723 1.00 15.02 C +ATOM 2351 O GLU C 23 -22.815 3.097 12.742 1.00 16.54 O +ATOM 2352 CB GLU C 23 -25.689 4.819 13.452 1.00 29.82 C +ATOM 2353 CG GLU C 23 -26.106 3.452 13.736 1.00 36.93 C +ATOM 2354 CD GLU C 23 -28.202 3.924 13.602 1.00 80.12 C +ATOM 2355 OE1 GLU C 23 -27.795 2.922 11.489 1.00 66.02 O +ATOM 2356 OE2 GLU C 23 -27.964 4.694 13.267 1.00 59.79 O +ATOM 2357 N TYR C 24 -23.207 5.173 11.697 1.00 21.28 N +ATOM 2358 CA TYR C 24 -22.418 4.812 10.585 1.00 19.46 C +ATOM 2359 C TYR C 24 -20.849 4.466 10.860 1.00 15.33 C +ATOM 2360 O TYR C 24 -20.148 3.754 10.360 1.00 13.77 O +ATOM 2361 CB TYR C 24 -22.651 5.606 9.406 1.00 16.14 C +ATOM 2362 CG TYR C 24 -24.080 5.727 8.793 1.00 13.71 C +ATOM 2363 CD1 TYR C 24 -24.170 6.732 7.640 1.00 24.76 C +ATOM 2364 CD2 TYR C 24 -25.002 4.824 9.337 1.00 21.84 C +ATOM 2365 CE1 TYR C 24 -25.645 6.832 7.377 1.00 25.66 C +ATOM 2366 CE2 TYR C 24 -26.453 4.934 8.784 1.00 17.49 C +ATOM 2367 CZ TYR C 24 -26.325 5.877 7.791 1.00 27.32 C +ATOM 2368 OH TYR C 24 -27.810 6.069 7.401 1.00 31.23 O +ATOM 2369 N GLY C 25 -20.290 5.421 11.638 1.00 18.29 N +ATOM 2370 CA GLY C 25 -19.027 5.388 12.069 1.00 15.33 C +ATOM 2371 C GLY C 25 -18.807 4.272 12.918 1.00 12.64 C +ATOM 2372 O GLY C 25 -17.733 3.304 12.661 1.00 15.23 O +ATOM 2373 N ALA C 26 -19.542 3.599 13.820 1.00 16.00 N +ATOM 2374 CA ALA C 26 -19.471 2.386 14.471 1.00 11.42 C +ATOM 2375 C ALA C 26 -19.307 1.193 13.564 1.00 10.94 C +ATOM 2376 O ALA C 26 -18.739 0.230 13.578 1.00 13.65 O +ATOM 2377 CB ALA C 26 -20.512 2.232 15.656 1.00 11.99 C +ATOM 2378 N GLU C 27 -20.425 1.260 12.521 1.00 12.87 N +ATOM 2379 CA GLU C 27 -20.638 0.028 11.636 1.00 15.51 C +ATOM 2380 C GLU C 27 -19.412 0.022 10.785 1.00 12.84 C +ATOM 2381 O GLU C 27 -18.849 -1.119 10.534 1.00 15.95 O +ATOM 2382 CB GLU C 27 -21.715 0.427 10.623 1.00 15.50 C +ATOM 2383 CG GLU C 27 -21.926 -0.710 9.772 1.00 17.08 C +ATOM 2384 CD GLU C 27 -23.164 -0.586 8.872 1.00 30.48 C +ATOM 2385 OE1 GLU C 27 -23.095 -0.770 7.588 1.00 18.71 O +ATOM 2386 OE2 GLU C 27 -24.194 0.119 9.312 1.00 24.16 O +ATOM 2387 N ALA C 28 -18.789 1.258 10.332 1.00 11.36 N +ATOM 2388 CA ALA C 28 -17.460 1.158 9.500 1.00 9.58 C +ATOM 2389 C ALA C 28 -16.340 0.418 10.332 1.00 9.29 C +ATOM 2390 O ALA C 28 -15.677 -0.370 9.760 1.00 12.64 O +ATOM 2391 CB ALA C 28 -17.171 2.523 9.159 1.00 13.35 C +ATOM 2392 N LEU C 29 -16.325 0.834 11.666 1.00 12.01 N +ATOM 2393 CA LEU C 29 -15.240 0.036 12.460 1.00 9.42 C +ATOM 2394 C LEU C 29 -15.351 -1.296 12.531 1.00 8.04 C +ATOM 2395 O LEU C 29 -14.557 -2.221 12.462 1.00 11.27 O +ATOM 2396 CB LEU C 29 -15.253 0.792 13.944 1.00 13.39 C +ATOM 2397 CG LEU C 29 -14.671 2.120 14.000 1.00 14.28 C +ATOM 2398 CD1 LEU C 29 -15.060 2.641 15.229 1.00 21.17 C +ATOM 2399 CD2 LEU C 29 -13.328 2.186 13.586 1.00 17.52 C +ATOM 2400 N GLU C 30 -16.582 -1.891 12.768 1.00 12.13 N +ATOM 2401 CA GLU C 30 -17.039 -3.158 12.830 1.00 15.15 C +ATOM 2402 C GLU C 30 -16.575 -3.834 11.597 1.00 15.74 C +ATOM 2403 O GLU C 30 -16.144 -4.973 11.643 1.00 15.15 O +ATOM 2404 CB GLU C 30 -18.512 -3.390 13.241 1.00 16.95 C +ATOM 2405 CG GLU C 30 -18.749 -4.796 13.397 1.00 22.01 C +ATOM 2406 CD GLU C 30 -20.492 -5.310 14.125 1.00 33.25 C +ATOM 2407 OE1 GLU C 30 -20.859 -4.170 14.215 1.00 33.78 O +ATOM 2408 OE2 GLU C 30 -20.298 -6.063 14.309 1.00 40.59 O +ATOM 2409 N ARG C 31 -17.016 -3.172 10.500 1.00 9.68 N +ATOM 2410 CA ARG C 31 -16.706 -3.791 9.173 1.00 8.70 C +ATOM 2411 C ARG C 31 -15.092 -4.029 9.070 1.00 13.62 C +ATOM 2412 O ARG C 31 -14.706 -5.080 8.618 1.00 13.67 O +ATOM 2413 CB ARG C 31 -17.211 -2.898 8.144 1.00 12.42 C +ATOM 2414 CG ARG C 31 -18.743 -3.121 7.942 1.00 11.84 C +ATOM 2415 CD ARG C 31 -19.136 -2.201 6.911 1.00 15.20 C +ATOM 2416 NE ARG C 31 -20.701 -2.256 6.631 1.00 14.19 N +ATOM 2417 CZ ARG C 31 -21.363 -3.224 5.977 1.00 11.42 C +ATOM 2418 NH1 ARG C 31 -20.645 -4.259 5.462 1.00 11.92 N +ATOM 2419 NH2 ARG C 31 -22.607 -3.167 6.110 1.00 15.15 N +ATOM 2420 N MET C 32 -14.391 -2.999 9.390 1.00 10.57 N +ATOM 2421 CA MET C 32 -12.880 -2.985 9.431 1.00 8.16 C +ATOM 2422 C MET C 32 -12.304 -4.106 10.303 1.00 7.80 C +ATOM 2423 O MET C 32 -11.482 -4.880 9.804 1.00 11.64 O +ATOM 2424 CB MET C 32 -12.387 -1.587 9.793 1.00 8.09 C +ATOM 2425 CG MET C 32 -10.949 -1.623 9.744 1.00 11.10 C +ATOM 2426 SD MET C 32 -10.226 -0.081 10.328 1.00 18.02 S +ATOM 2427 CE MET C 32 -10.638 -0.209 12.043 1.00 20.04 C +ATOM 2428 N PHE C 33 -12.802 -4.206 11.603 1.00 13.50 N +ATOM 2429 CA PHE C 33 -12.271 -5.320 12.432 1.00 12.85 C +ATOM 2430 C PHE C 33 -12.547 -6.578 11.951 1.00 15.05 C +ATOM 2431 O PHE C 33 -11.717 -7.551 12.143 1.00 13.38 O +ATOM 2432 CB PHE C 33 -12.756 -5.046 13.817 1.00 12.45 C +ATOM 2433 CG PHE C 33 -12.568 -3.710 14.467 1.00 10.81 C +ATOM 2434 CD1 PHE C 33 -11.266 -3.320 14.428 1.00 14.60 C +ATOM 2435 CD2 PHE C 33 -13.526 -3.151 15.305 1.00 15.15 C +ATOM 2436 CE1 PHE C 33 -10.894 -2.155 15.062 1.00 15.80 C +ATOM 2437 CE2 PHE C 33 -13.010 -1.947 15.768 1.00 13.43 C +ATOM 2438 CZ PHE C 33 -11.786 -1.494 15.661 1.00 22.23 C +ATOM 2439 N LEU C 34 -13.672 -6.909 11.292 1.00 11.85 N +ATOM 2440 CA LEU C 34 -14.025 -8.262 10.744 1.00 12.31 C +ATOM 2441 C LEU C 34 -13.308 -8.546 9.433 1.00 15.72 C +ATOM 2442 O LEU C 34 -12.814 -9.634 9.197 1.00 19.67 O +ATOM 2443 CB LEU C 34 -15.490 -8.519 10.506 1.00 16.89 C +ATOM 2444 CG LEU C 34 -16.308 -8.523 11.809 1.00 26.21 C +ATOM 2445 CD1 LEU C 34 -17.801 -8.703 11.585 1.00 26.59 C +ATOM 2446 CD2 LEU C 34 -15.886 -9.544 12.837 1.00 38.34 C +ATOM 2447 N SER C 35 -13.287 -7.520 8.527 1.00 12.82 N +ATOM 2448 CA SER C 35 -12.594 -7.794 7.329 1.00 10.93 C +ATOM 2449 C SER C 35 -11.162 -7.828 7.166 1.00 14.27 C +ATOM 2450 O SER C 35 -10.505 -8.327 6.376 1.00 16.71 O +ATOM 2451 CB SER C 35 -13.015 -6.732 6.237 1.00 13.98 C +ATOM 2452 OG SER C 35 -14.406 -6.851 5.967 1.00 18.75 O +ATOM 2453 N PHE C 36 -10.441 -6.974 8.104 1.00 11.09 N +ATOM 2454 CA PHE C 36 -9.024 -6.696 8.153 1.00 10.70 C +ATOM 2455 C PHE C 36 -8.606 -6.742 9.707 1.00 13.97 C +ATOM 2456 O PHE C 36 -8.344 -5.778 10.402 1.00 16.32 O +ATOM 2457 CB PHE C 36 -8.759 -5.327 7.682 1.00 12.71 C +ATOM 2458 CG PHE C 36 -9.244 -5.034 6.227 1.00 14.13 C +ATOM 2459 CD1 PHE C 36 -10.405 -4.227 6.071 1.00 14.98 C +ATOM 2460 CD2 PHE C 36 -8.716 -5.826 5.029 1.00 21.47 C +ATOM 2461 CE1 PHE C 36 -10.962 -3.950 4.805 1.00 23.41 C +ATOM 2462 CE2 PHE C 36 -9.304 -5.498 3.966 1.00 24.62 C +ATOM 2463 CZ PHE C 36 -10.428 -4.612 3.839 1.00 15.55 C +ATOM 2464 N PRO C 37 -8.487 -8.050 9.947 1.00 18.65 N +ATOM 2465 CA PRO C 37 -8.320 -8.334 11.359 1.00 17.35 C +ATOM 2466 C PRO C 37 -6.962 -7.708 12.012 1.00 18.35 C +ATOM 2467 O PRO C 37 -6.854 -7.465 13.248 1.00 14.04 O +ATOM 2468 CB PRO C 37 -8.349 -9.870 11.562 1.00 27.87 C +ATOM 2469 CG PRO C 37 -8.429 -10.372 10.373 1.00 37.42 C +ATOM 2470 CD PRO C 37 -8.767 -9.192 9.450 1.00 22.48 C +ATOM 2471 N THR C 38 -6.066 -7.410 11.173 1.00 12.63 N +ATOM 2472 CA THR C 38 -4.834 -6.636 11.753 1.00 17.25 C +ATOM 2473 C THR C 38 -5.049 -5.478 12.414 1.00 15.32 C +ATOM 2474 O THR C 38 -4.264 -5.001 13.219 1.00 11.09 O +ATOM 2475 CB THR C 38 -3.639 -7.011 10.452 1.00 12.40 C +ATOM 2476 OG1 THR C 38 -4.178 -5.757 9.596 1.00 15.33 O +ATOM 2477 CG2 THR C 38 -4.507 -7.126 9.385 1.00 80.12 C +ATOM 2478 N THR C 39 -6.072 -4.797 11.866 1.00 10.35 N +ATOM 2479 CA THR C 39 -6.458 -3.530 12.499 1.00 11.60 C +ATOM 2480 C THR C 39 -6.867 -3.675 13.987 1.00 11.25 C +ATOM 2481 O THR C 39 -6.719 -2.683 14.751 1.00 15.31 O +ATOM 2482 CB THR C 39 -7.618 -2.839 11.782 1.00 10.41 C +ATOM 2483 OG1 THR C 39 -8.902 -3.535 11.780 1.00 8.43 O +ATOM 2484 CG2 THR C 39 -7.110 -2.694 10.278 1.00 7.27 C +ATOM 2485 N LYS C 40 -7.142 -4.800 14.416 1.00 12.10 N +ATOM 2486 CA LYS C 40 -7.571 -4.948 15.946 1.00 12.37 C +ATOM 2487 C LYS C 40 -6.340 -4.815 16.822 1.00 12.69 C +ATOM 2488 O LYS C 40 -6.554 -4.646 17.995 1.00 13.50 O +ATOM 2489 CB LYS C 40 -8.135 -6.441 16.142 1.00 13.01 C +ATOM 2490 CG LYS C 40 -9.508 -6.644 15.446 1.00 16.35 C +ATOM 2491 CD LYS C 40 -9.585 -8.284 15.551 1.00 21.60 C +ATOM 2492 CE LYS C 40 -10.395 -8.518 15.432 1.00 41.58 C +ATOM 2493 NZ LYS C 40 -10.104 -10.161 15.709 1.00 24.62 N +ATOM 2494 N THR C 41 -5.213 -4.883 16.231 1.00 15.39 N +ATOM 2495 CA THR C 41 -3.858 -4.878 17.048 1.00 15.24 C +ATOM 2496 C THR C 41 -3.895 -3.538 17.513 1.00 24.53 C +ATOM 2497 O THR C 41 -3.052 -3.276 18.625 1.00 20.94 O +ATOM 2498 CB THR C 41 -2.611 -5.058 16.204 1.00 10.27 C +ATOM 2499 OG1 THR C 41 -2.473 -4.084 15.265 1.00 10.56 O +ATOM 2500 CG2 THR C 41 -2.649 -6.370 15.637 1.00 13.16 C +ATOM 2501 N TYR C 42 -4.559 -2.347 17.313 1.00 15.74 N +ATOM 2502 CA TYR C 42 -4.420 -1.045 17.757 1.00 10.60 C +ATOM 2503 C TYR C 42 -5.479 -0.829 18.921 1.00 12.75 C +ATOM 2504 O TYR C 42 -5.553 0.201 19.530 1.00 15.68 O +ATOM 2505 CB TYR C 42 -4.800 0.068 16.774 1.00 16.68 C +ATOM 2506 CG TYR C 42 -3.607 -0.087 15.746 1.00 10.99 C +ATOM 2507 CD1 TYR C 42 -2.328 0.661 16.011 1.00 17.16 C +ATOM 2508 CD2 TYR C 42 -3.699 -0.743 14.478 1.00 12.51 C +ATOM 2509 CE1 TYR C 42 -1.337 0.521 15.154 1.00 15.83 C +ATOM 2510 CE2 TYR C 42 -2.696 -0.758 13.617 1.00 12.91 C +ATOM 2511 CZ TYR C 42 -1.386 -0.114 13.943 1.00 12.97 C +ATOM 2512 OH TYR C 42 -0.401 -0.078 12.976 1.00 13.25 O +ATOM 2513 N PHE C 43 -6.271 -1.850 19.113 1.00 15.49 N +ATOM 2514 CA PHE C 43 -7.459 -1.760 20.167 1.00 17.75 C +ATOM 2515 C PHE C 43 -7.514 -3.016 21.053 1.00 20.04 C +ATOM 2516 O PHE C 43 -8.605 -3.535 21.334 1.00 17.05 O +ATOM 2517 CB PHE C 43 -8.817 -1.519 19.333 1.00 26.70 C +ATOM 2518 CG PHE C 43 -8.906 -0.392 18.437 1.00 14.42 C +ATOM 2519 CD1 PHE C 43 -8.473 -0.554 17.054 1.00 15.73 C +ATOM 2520 CD2 PHE C 43 -9.700 0.777 18.998 1.00 15.90 C +ATOM 2521 CE1 PHE C 43 -8.663 0.579 16.317 1.00 16.99 C +ATOM 2522 CE2 PHE C 43 -9.585 1.781 18.059 1.00 19.76 C +ATOM 2523 CZ PHE C 43 -9.193 1.883 16.726 1.00 10.96 C +ATOM 2524 N PRO C 44 -6.303 -3.266 21.758 1.00 17.51 N +ATOM 2525 CA PRO C 44 -6.430 -4.575 22.577 1.00 22.01 C +ATOM 2526 C PRO C 44 -7.021 -4.034 23.952 1.00 23.34 C +ATOM 2527 O PRO C 44 -7.479 -5.004 24.549 1.00 23.67 O +ATOM 2528 CB PRO C 44 -4.725 -4.600 22.823 1.00 28.76 C +ATOM 2529 CG PRO C 44 -4.302 -3.265 22.722 1.00 30.00 C +ATOM 2530 CD PRO C 44 -5.000 -2.496 21.564 1.00 18.17 C +ATOM 2531 N HIS C 45 -7.313 -2.986 24.170 1.00 23.82 N +ATOM 2532 CA HIS C 45 -8.129 -2.454 25.363 1.00 24.33 C +ATOM 2533 C HIS C 45 -9.774 -2.425 25.223 1.00 36.67 C +ATOM 2534 O HIS C 45 -10.201 -1.856 26.159 1.00 32.61 O +ATOM 2535 CB HIS C 45 -7.724 -1.122 25.714 1.00 29.73 C +ATOM 2536 CG HIS C 45 -7.512 0.207 24.830 1.00 29.43 C +ATOM 2537 ND1 HIS C 45 -6.904 -0.240 23.536 1.00 26.84 N +ATOM 2538 CD2 HIS C 45 -8.212 1.313 24.765 1.00 33.54 C +ATOM 2539 CE1 HIS C 45 -7.241 0.770 23.119 1.00 37.75 C +ATOM 2540 NE2 HIS C 45 -7.901 1.880 23.651 1.00 39.11 N +ATOM 2541 N PHE C 46 -10.097 -2.588 23.981 1.00 19.71 N +ATOM 2542 CA PHE C 46 -11.427 -2.447 23.784 1.00 16.71 C +ATOM 2543 C PHE C 46 -11.984 -3.704 23.878 1.00 21.27 C +ATOM 2544 O PHE C 46 -11.601 -4.890 23.408 1.00 23.84 O +ATOM 2545 CB PHE C 46 -11.721 -1.909 22.223 1.00 21.57 C +ATOM 2546 CG PHE C 46 -11.812 -0.571 22.355 1.00 17.89 C +ATOM 2547 CD1 PHE C 46 -12.584 0.134 21.407 1.00 29.22 C +ATOM 2548 CD2 PHE C 46 -11.092 0.466 22.932 1.00 29.35 C +ATOM 2549 CE1 PHE C 46 -12.539 1.579 21.231 1.00 23.51 C +ATOM 2550 CE2 PHE C 46 -11.283 1.342 22.737 1.00 34.19 C +ATOM 2551 CZ PHE C 46 -11.794 2.381 21.680 1.00 30.38 C +ATOM 2552 N ASP C 47 -13.484 -3.924 24.123 1.00 21.22 N +ATOM 2553 CA ASP C 47 -14.200 -5.093 23.710 1.00 21.17 C +ATOM 2554 C ASP C 47 -14.972 -4.945 22.231 1.00 15.44 C +ATOM 2555 O ASP C 47 -15.394 -3.747 22.085 1.00 19.22 O +ATOM 2556 CB ASP C 47 -15.564 -4.912 24.743 1.00 26.87 C +ATOM 2557 CG ASP C 47 -16.291 -6.456 24.524 1.00 44.60 C +ATOM 2558 OD1 ASP C 47 -16.314 -6.539 23.491 1.00 38.14 O +ATOM 2559 OD2 ASP C 47 -17.247 -6.397 25.386 1.00 35.16 O +ATOM 2560 N LEU C 48 -14.283 -5.744 21.445 1.00 20.23 N +ATOM 2561 CA LEU C 48 -14.738 -5.455 19.945 1.00 22.13 C +ATOM 2562 C LEU C 48 -15.716 -6.250 19.550 1.00 26.79 C +ATOM 2563 O LEU C 48 -16.269 -6.380 18.272 1.00 28.79 O +ATOM 2564 CB LEU C 48 -13.468 -5.863 19.207 1.00 20.10 C +ATOM 2565 CG LEU C 48 -12.283 -5.143 19.138 1.00 22.13 C +ATOM 2566 CD1 LEU C 48 -10.976 -5.443 18.455 1.00 30.66 C +ATOM 2567 CD2 LEU C 48 -12.440 -3.412 19.024 1.00 21.27 C +ATOM 2568 N SER C 49 -16.750 -6.795 20.348 1.00 29.67 N +ATOM 2569 CA SER C 49 -17.996 -7.682 20.348 1.00 26.45 C +ATOM 2570 C SER C 49 -18.688 -6.784 19.661 1.00 19.97 C +ATOM 2571 O SER C 49 -18.950 -5.536 19.662 1.00 20.96 O +ATOM 2572 CB SER C 49 -18.391 -8.577 21.574 1.00 26.72 C +ATOM 2573 OG SER C 49 -18.238 -7.994 22.499 1.00 34.29 O +ATOM 2574 N HIS C 50 -19.776 -7.581 18.833 1.00 28.23 N +ATOM 2575 CA HIS C 50 -20.784 -6.859 18.155 1.00 26.06 C +ATOM 2576 C HIS C 50 -21.742 -6.003 19.283 1.00 24.81 C +ATOM 2577 O HIS C 50 -21.976 -6.730 20.143 1.00 27.33 O +ATOM 2578 CB HIS C 50 -21.772 -7.860 17.171 1.00 33.58 C +ATOM 2579 CG HIS C 50 -22.495 -6.997 16.501 1.00 21.75 C +ATOM 2580 ND1 HIS C 50 -24.098 -7.224 16.903 1.00 37.61 N +ATOM 2581 CD2 HIS C 50 -22.721 -6.030 15.749 1.00 24.11 C +ATOM 2582 CE1 HIS C 50 -24.713 -6.289 16.301 1.00 35.12 C +ATOM 2583 NE2 HIS C 50 -23.972 -5.305 15.362 1.00 42.35 N +ATOM 2584 N GLY C 51 -21.911 -4.827 19.019 1.00 24.42 N +ATOM 2585 CA GLY C 51 -22.633 -4.098 19.831 1.00 26.56 C +ATOM 2586 C GLY C 51 -22.082 -3.387 20.930 1.00 23.39 C +ATOM 2587 O GLY C 51 -22.536 -2.501 21.731 1.00 25.53 O +ATOM 2588 N SER C 52 -20.724 -3.498 20.885 1.00 22.06 N +ATOM 2589 CA SER C 52 -19.739 -2.846 21.982 1.00 25.03 C +ATOM 2590 C SER C 52 -19.903 -1.593 22.193 1.00 31.37 C +ATOM 2591 O SER C 52 -19.945 -0.663 21.200 1.00 22.94 O +ATOM 2592 CB SER C 52 -18.376 -3.162 21.704 1.00 30.26 C +ATOM 2593 OG SER C 52 -17.567 -2.497 22.631 1.00 21.66 O +ATOM 2594 N ALA C 53 -20.311 -0.885 23.302 1.00 22.15 N +ATOM 2595 CA ALA C 53 -20.223 0.561 23.639 1.00 29.32 C +ATOM 2596 C ALA C 53 -19.008 1.341 23.195 1.00 23.50 C +ATOM 2597 O ALA C 53 -19.144 2.489 22.964 1.00 19.56 O +ATOM 2598 CB ALA C 53 -21.016 0.770 24.778 1.00 46.37 C +ATOM 2599 N GLN C 54 -18.075 0.456 23.565 1.00 20.69 N +ATOM 2600 CA GLN C 54 -16.671 1.124 23.388 1.00 22.13 C +ATOM 2601 C GLN C 54 -16.498 1.625 21.724 1.00 21.00 C +ATOM 2602 O GLN C 54 -15.986 2.677 21.452 1.00 19.66 O +ATOM 2603 CB GLN C 54 -15.533 0.388 23.780 1.00 23.01 C +ATOM 2604 CG GLN C 54 -15.387 0.264 25.146 1.00 26.98 C +ATOM 2605 CD GLN C 54 -14.244 -0.704 25.751 1.00 17.64 C +ATOM 2606 OE1 GLN C 54 -14.213 -1.867 25.317 1.00 23.97 O +ATOM 2607 NE2 GLN C 54 -13.269 -0.029 26.343 1.00 35.16 N +ATOM 2608 N VAL C 55 -16.998 0.495 20.976 1.00 18.58 N +ATOM 2609 CA VAL C 55 -16.782 0.728 19.397 1.00 18.23 C +ATOM 2610 C VAL C 55 -17.788 1.835 19.121 1.00 15.73 C +ATOM 2611 O VAL C 55 -17.557 2.638 18.250 1.00 16.15 O +ATOM 2612 CB VAL C 55 -17.023 -0.655 18.769 1.00 16.13 C +ATOM 2613 CG1 VAL C 55 -17.141 -0.282 17.289 1.00 22.56 C +ATOM 2614 CG2 VAL C 55 -15.953 -1.526 19.088 1.00 16.34 C +ATOM 2615 N LYS C 56 -19.064 1.844 19.638 1.00 17.00 N +ATOM 2616 CA LYS C 56 -20.011 2.798 19.335 1.00 18.57 C +ATOM 2617 C LYS C 56 -19.657 4.015 19.595 1.00 20.36 C +ATOM 2618 O LYS C 56 -19.638 5.117 18.950 1.00 20.10 O +ATOM 2619 CB LYS C 56 -21.306 2.565 20.099 1.00 27.04 C +ATOM 2620 CG LYS C 56 -22.017 1.239 19.517 1.00 42.35 C +ATOM 2621 CD LYS C 56 -23.983 2.334 19.796 1.00 43.36 C +ATOM 2622 CE LYS C 56 -24.238 -0.016 19.420 1.00 48.38 C +ATOM 2623 NZ LYS C 56 -25.547 0.420 20.454 1.00 67.70 N +ATOM 2624 N GLY C 57 -18.873 4.239 20.758 1.00 16.00 N +ATOM 2625 CA GLY C 57 -18.397 5.432 21.231 1.00 21.54 C +ATOM 2626 C GLY C 57 -17.299 6.086 20.387 1.00 18.61 C +ATOM 2627 O GLY C 57 -17.174 7.416 20.069 1.00 24.59 O +ATOM 2628 N HIS C 58 -16.421 5.133 20.063 1.00 15.81 N +ATOM 2629 CA HIS C 58 -15.259 5.492 19.163 1.00 16.10 C +ATOM 2630 C HIS C 58 -15.968 5.977 17.705 1.00 21.16 C +ATOM 2631 O HIS C 58 -15.334 6.873 17.165 1.00 17.74 O +ATOM 2632 CB HIS C 58 -14.298 4.450 19.037 1.00 15.43 C +ATOM 2633 CG HIS C 58 -13.084 4.816 18.336 1.00 18.98 C +ATOM 2634 ND1 HIS C 58 -12.377 5.886 18.887 1.00 21.14 N +ATOM 2635 CD2 HIS C 58 -12.537 4.339 17.359 1.00 16.95 C +ATOM 2636 CE1 HIS C 58 -11.397 5.896 17.811 1.00 21.77 C +ATOM 2637 NE2 HIS C 58 -11.418 4.951 16.789 1.00 17.45 N +ATOM 2638 N GLY C 59 -16.820 5.155 17.321 1.00 20.04 N +ATOM 2639 CA GLY C 59 -17.341 5.505 16.148 1.00 24.32 C +ATOM 2640 C GLY C 59 -18.005 6.810 15.949 1.00 16.44 C +ATOM 2641 O GLY C 59 -17.768 7.655 14.926 1.00 16.63 O +ATOM 2642 N LYS C 60 -18.641 7.304 17.045 1.00 14.40 N +ATOM 2643 CA LYS C 60 -19.047 8.674 17.195 1.00 14.87 C +ATOM 2644 C LYS C 60 -18.066 9.704 17.103 1.00 17.20 C +ATOM 2645 O LYS C 60 -18.083 10.725 16.452 1.00 19.10 O +ATOM 2646 CB LYS C 60 -20.090 8.722 18.417 1.00 20.14 C +ATOM 2647 CG LYS C 60 -20.474 10.102 18.286 1.00 36.22 C +ATOM 2648 CD LYS C 60 -21.736 10.498 19.120 1.00 67.45 C +ATOM 2649 CE LYS C 60 -22.281 11.583 18.549 1.00 61.41 C +ATOM 2650 NZ LYS C 60 -21.104 12.754 19.691 1.00 67.02 N +ATOM 2651 N LYS C 61 -16.927 9.423 17.774 1.00 17.79 N +ATOM 2652 CA LYS C 61 -15.858 10.357 17.767 1.00 21.13 C +ATOM 2653 C LYS C 61 -15.164 10.595 16.162 1.00 16.24 C +ATOM 2654 O LYS C 61 -14.881 11.695 15.808 1.00 15.80 O +ATOM 2655 CB LYS C 61 -14.696 9.830 18.603 1.00 23.05 C +ATOM 2656 CG LYS C 61 -15.062 10.074 19.860 1.00 29.48 C +ATOM 2657 CD LYS C 61 -14.168 9.693 20.841 1.00 35.76 C +ATOM 2658 CE LYS C 61 -14.859 10.184 22.437 1.00 58.26 C +ATOM 2659 NZ LYS C 61 -13.290 9.055 22.853 1.00 59.87 N +ATOM 2660 N VAL C 62 -15.053 9.278 15.522 1.00 15.31 N +ATOM 2661 CA VAL C 62 -14.623 9.355 14.153 1.00 17.56 C +ATOM 2662 C VAL C 62 -15.371 10.194 13.113 1.00 16.25 C +ATOM 2663 O VAL C 62 -15.014 11.087 12.455 1.00 13.61 O +ATOM 2664 CB VAL C 62 -14.380 7.809 13.720 1.00 18.84 C +ATOM 2665 CG1 VAL C 62 -14.183 7.763 12.290 1.00 17.19 C +ATOM 2666 CG2 VAL C 62 -13.252 7.305 14.521 1.00 18.33 C +ATOM 2667 N ALA C 63 -16.701 9.866 13.495 1.00 13.67 N +ATOM 2668 CA ALA C 63 -17.818 10.501 12.645 1.00 21.56 C +ATOM 2669 C ALA C 63 -17.715 11.855 12.728 1.00 19.04 C +ATOM 2670 O ALA C 63 -17.832 12.775 11.974 1.00 17.01 O +ATOM 2671 CB ALA C 63 -19.206 9.890 12.827 1.00 17.02 C +ATOM 2672 N ASP C 64 -17.653 12.417 13.991 1.00 16.51 N +ATOM 2673 CA ASP C 64 -17.709 13.830 14.243 1.00 19.49 C +ATOM 2674 C ASP C 64 -16.540 14.535 13.748 1.00 14.91 C +ATOM 2675 O ASP C 64 -16.584 15.604 13.224 1.00 19.95 O +ATOM 2676 CB ASP C 64 -17.991 14.096 15.799 1.00 24.76 C +ATOM 2677 CG ASP C 64 -19.393 13.818 16.643 1.00 34.25 C +ATOM 2678 OD1 ASP C 64 -20.152 13.414 15.899 1.00 28.85 O +ATOM 2679 OD2 ASP C 64 -19.056 13.688 17.650 1.00 27.13 O +ATOM 2680 N ALA C 65 -15.369 13.857 13.860 1.00 16.65 N +ATOM 2681 CA ALA C 65 -14.163 14.481 13.291 1.00 16.32 C +ATOM 2682 C ALA C 65 -14.252 14.735 11.694 1.00 13.95 C +ATOM 2683 O ALA C 65 -13.994 15.689 11.048 1.00 16.33 O +ATOM 2684 CB ALA C 65 -13.017 13.593 13.359 1.00 16.15 C +ATOM 2685 N LEU C 66 -15.064 13.712 10.969 1.00 17.13 N +ATOM 2686 CA LEU C 66 -15.337 13.726 9.525 1.00 13.55 C +ATOM 2687 C LEU C 66 -16.272 14.810 9.233 1.00 14.32 C +ATOM 2688 O LEU C 66 -16.159 15.647 8.296 1.00 15.99 O +ATOM 2689 CB LEU C 66 -15.780 12.400 8.970 1.00 12.37 C +ATOM 2690 CG LEU C 66 -14.557 11.353 8.900 1.00 14.22 C +ATOM 2691 CD1 LEU C 66 -15.162 10.177 8.798 1.00 25.53 C +ATOM 2692 CD2 LEU C 66 -13.636 11.641 7.894 1.00 14.43 C +ATOM 2693 N THR C 67 -17.292 14.977 10.145 1.00 14.80 N +ATOM 2694 CA THR C 67 -18.300 16.119 9.983 1.00 15.27 C +ATOM 2695 C THR C 67 -17.479 17.374 10.100 1.00 19.15 C +ATOM 2696 O THR C 67 -17.741 18.262 9.274 1.00 21.53 O +ATOM 2697 CB THR C 67 -19.282 15.886 11.189 1.00 13.22 C +ATOM 2698 OG1 THR C 67 -20.066 14.785 10.961 1.00 17.30 O +ATOM 2699 CG2 THR C 67 -20.207 17.226 11.132 1.00 30.44 C +ATOM 2700 N ASN C 68 -16.541 17.536 11.125 1.00 19.52 N +ATOM 2701 CA ASN C 68 -15.765 18.613 11.088 1.00 21.49 C +ATOM 2702 C ASN C 68 -14.901 18.833 9.858 1.00 19.25 C +ATOM 2703 O ASN C 68 -14.653 20.197 9.353 1.00 22.73 O +ATOM 2704 CB ASN C 68 -14.964 18.621 12.362 1.00 16.47 C +ATOM 2705 CG ASN C 68 -13.974 19.880 12.584 1.00 43.34 C +ATOM 2706 OD1 ASN C 68 -14.128 20.746 12.326 1.00 49.22 O +ATOM 2707 ND2 ASN C 68 -12.524 19.654 13.058 1.00 50.67 N +ATOM 2708 N ALA C 69 -14.378 17.793 9.402 1.00 16.22 N +ATOM 2709 CA ALA C 69 -13.526 17.929 8.006 1.00 15.27 C +ATOM 2710 C ALA C 69 -14.531 18.551 6.897 1.00 20.32 C +ATOM 2711 O ALA C 69 -13.858 19.250 6.103 1.00 22.38 O +ATOM 2712 CB ALA C 69 -12.891 16.615 7.759 1.00 15.52 C +ATOM 2713 N VAL C 70 -15.649 17.853 6.837 1.00 18.62 N +ATOM 2714 CA VAL C 70 -16.708 18.432 5.673 1.00 21.72 C +ATOM 2715 C VAL C 70 -16.947 20.121 6.025 1.00 33.94 C +ATOM 2716 O VAL C 70 -16.795 20.608 4.872 1.00 26.93 O +ATOM 2717 CB VAL C 70 -17.884 17.598 5.765 1.00 16.50 C +ATOM 2718 CG1 VAL C 70 -18.759 18.120 4.709 1.00 19.06 C +ATOM 2719 CG2 VAL C 70 -17.623 16.139 5.358 1.00 16.14 C +ATOM 2720 N ALA C 71 -17.135 20.362 6.965 1.00 27.30 N +ATOM 2721 CA ALA C 71 -17.392 21.922 7.494 1.00 22.92 C +ATOM 2722 C ALA C 71 -16.435 22.534 6.896 1.00 25.79 C +ATOM 2723 O ALA C 71 -16.374 23.836 6.718 1.00 24.88 O +ATOM 2724 CB ALA C 71 -17.865 21.980 8.684 1.00 26.73 C +ATOM 2725 N HIS C 72 -15.134 22.254 6.980 1.00 25.11 N +ATOM 2726 CA HIS C 72 -13.948 22.613 6.662 1.00 31.54 C +ATOM 2727 C HIS C 72 -13.174 22.493 5.762 1.00 23.73 C +ATOM 2728 O HIS C 72 -11.739 22.306 5.638 1.00 26.60 O +ATOM 2729 CB HIS C 72 -12.834 22.798 8.133 1.00 34.18 C +ATOM 2730 CG HIS C 72 -13.458 23.235 9.080 1.00 46.84 C +ATOM 2731 ND1 HIS C 72 -13.546 24.937 9.646 1.00 41.84 N +ATOM 2732 CD2 HIS C 72 -14.636 22.949 10.155 1.00 36.64 C +ATOM 2733 CE1 HIS C 72 -14.088 24.896 10.559 1.00 46.81 C +ATOM 2734 NE2 HIS C 72 -14.920 23.926 11.193 1.00 49.65 N +ATOM 2735 N VAL C 73 -13.783 21.917 4.647 1.00 19.28 N +ATOM 2736 CA VAL C 73 -13.123 21.287 3.673 1.00 19.45 C +ATOM 2737 C VAL C 73 -11.827 22.122 2.987 1.00 29.84 C +ATOM 2738 O VAL C 73 -10.987 21.361 2.509 1.00 35.51 O +ATOM 2739 CB VAL C 73 -14.122 20.427 2.448 1.00 30.11 C +ATOM 2740 CG1 VAL C 73 -14.780 21.629 2.180 1.00 33.72 C +ATOM 2741 CG2 VAL C 73 -13.307 19.397 1.916 1.00 28.74 C +ATOM 2742 N ASP C 74 -12.046 23.454 3.145 1.00 28.51 N +ATOM 2743 CA ASP C 74 -10.850 24.295 2.500 1.00 28.33 C +ATOM 2744 C ASP C 74 -9.537 24.483 3.294 1.00 41.00 C +ATOM 2745 O ASP C 74 -8.999 25.130 2.953 1.00 39.68 O +ATOM 2746 CB ASP C 74 -11.641 25.551 2.038 1.00 34.16 C +ATOM 2747 CG ASP C 74 -12.636 25.691 1.138 1.00 52.11 C +ATOM 2748 OD1 ASP C 74 -12.809 24.845 -0.109 1.00 41.95 O +ATOM 2749 OD2 ASP C 74 -13.725 26.027 1.050 1.00 57.27 O +ATOM 2750 N ASP C 75 -9.900 24.071 4.497 1.00 29.36 N +ATOM 2751 CA ASP C 75 -8.638 24.283 5.628 1.00 35.73 C +ATOM 2752 C ASP C 75 -9.022 23.128 6.558 1.00 33.10 C +ATOM 2753 O ASP C 75 -8.649 23.257 7.697 1.00 33.04 O +ATOM 2754 CB ASP C 75 -9.160 25.604 6.376 1.00 60.97 C +ATOM 2755 CG ASP C 75 -8.310 26.492 7.214 1.00 66.84 C +ATOM 2756 OD1 ASP C 75 -7.090 26.471 6.833 1.00 48.92 O +ATOM 2757 OD2 ASP C 75 -9.269 26.482 8.164 1.00 62.98 O +ATOM 2758 N MET C 76 -8.644 21.799 5.775 1.00 27.58 N +ATOM 2759 CA MET C 76 -8.452 20.656 6.738 1.00 27.89 C +ATOM 2760 C MET C 76 -7.374 20.534 7.506 1.00 27.58 C +ATOM 2761 O MET C 76 -7.529 20.166 8.646 1.00 20.50 O +ATOM 2762 CB MET C 76 -8.792 19.438 5.724 1.00 26.12 C +ATOM 2763 CG MET C 76 -10.257 19.383 5.400 1.00 43.36 C +ATOM 2764 SD MET C 76 -10.271 17.473 4.652 1.00 37.03 S +ATOM 2765 CE MET C 76 -9.415 17.721 3.291 1.00 44.39 C +ATOM 2766 N PRO C 77 -6.212 20.856 6.950 1.00 20.45 N +ATOM 2767 CA PRO C 77 -5.120 20.876 8.013 1.00 25.45 C +ATOM 2768 C PRO C 77 -5.008 21.386 9.255 1.00 36.43 C +ATOM 2769 O PRO C 77 -4.686 20.931 10.357 1.00 30.57 O +ATOM 2770 CB PRO C 77 -3.910 21.274 7.011 1.00 26.13 C +ATOM 2771 CG PRO C 77 -4.232 21.298 5.608 1.00 24.41 C +ATOM 2772 CD PRO C 77 -5.794 21.507 5.765 1.00 18.39 C +ATOM 2773 N ASN C 78 -5.556 22.597 9.438 1.00 27.78 N +ATOM 2774 CA ASN C 78 -6.067 23.245 10.604 1.00 53.47 C +ATOM 2775 C ASN C 78 -6.714 22.831 11.450 1.00 25.06 C +ATOM 2776 O ASN C 78 -6.836 22.551 12.629 1.00 27.11 O +ATOM 2777 CB ASN C 78 -5.848 24.913 10.378 1.00 49.62 C +ATOM 2778 CG ASN C 78 -5.937 25.817 11.891 1.00 27.09 C +ATOM 2779 OD1 ASN C 78 -5.094 25.489 12.673 1.00 25.78 O +ATOM 2780 ND2 ASN C 78 -7.164 26.163 12.327 1.00 30.98 N +ATOM 2781 N ALA C 79 -8.038 22.510 10.822 1.00 21.32 N +ATOM 2782 CA ALA C 79 -9.063 21.943 11.591 1.00 21.47 C +ATOM 2783 C ALA C 79 -8.803 20.510 12.317 1.00 24.81 C +ATOM 2784 O ALA C 79 -9.440 20.242 13.323 1.00 25.13 O +ATOM 2785 CB ALA C 79 -10.333 21.459 10.764 1.00 25.42 C +ATOM 2786 N LEU C 80 -8.034 19.757 11.542 1.00 14.71 N +ATOM 2787 CA LEU C 80 -7.693 18.364 12.080 1.00 14.80 C +ATOM 2788 C LEU C 80 -6.147 18.320 12.632 1.00 13.69 C +ATOM 2789 O LEU C 80 -5.765 17.251 13.012 1.00 17.02 O +ATOM 2790 CB LEU C 80 -7.618 17.425 10.975 1.00 23.31 C +ATOM 2791 CG LEU C 80 -9.017 17.241 10.096 1.00 28.90 C +ATOM 2792 CD1 LEU C 80 -8.888 16.179 9.066 1.00 22.59 C +ATOM 2793 CD2 LEU C 80 -9.912 16.862 11.126 1.00 28.24 C +ATOM 2794 N SER C 81 -5.642 19.595 13.022 1.00 15.20 N +ATOM 2795 CA SER C 81 -4.176 19.598 13.532 1.00 16.69 C +ATOM 2796 C SER C 81 -4.082 18.751 14.821 1.00 15.66 C +ATOM 2797 O SER C 81 -3.121 18.036 14.913 1.00 18.30 O +ATOM 2798 CB SER C 81 -4.200 21.212 13.927 1.00 20.04 C +ATOM 2799 OG SER C 81 -2.662 21.194 13.956 1.00 27.86 O +ATOM 2800 N ALA C 82 -4.975 18.951 15.740 1.00 16.14 N +ATOM 2801 CA ALA C 82 -4.666 18.152 16.940 1.00 27.63 C +ATOM 2802 C ALA C 82 -4.666 16.766 16.844 1.00 26.48 C +ATOM 2803 O ALA C 82 -4.201 15.804 17.443 1.00 22.53 O +ATOM 2804 CB ALA C 82 -5.631 18.625 18.033 1.00 26.01 C +ATOM 2805 N LEU C 83 -5.794 16.171 15.738 1.00 16.69 N +ATOM 2806 CA LEU C 83 -5.833 14.767 15.713 1.00 11.24 C +ATOM 2807 C LEU C 83 -4.721 14.342 14.699 1.00 14.18 C +ATOM 2808 O LEU C 83 -4.218 13.107 15.018 1.00 18.82 O +ATOM 2809 CB LEU C 83 -7.049 14.621 14.641 1.00 19.57 C +ATOM 2810 CG LEU C 83 -8.323 14.343 15.598 1.00 31.08 C +ATOM 2811 CD1 LEU C 83 -9.453 13.945 14.510 1.00 37.56 C +ATOM 2812 CD2 LEU C 83 -8.174 13.408 16.783 1.00 31.25 C +ATOM 2813 N SER C 84 -4.154 15.133 13.918 1.00 17.80 N +ATOM 2814 CA SER C 84 -2.888 14.776 13.267 1.00 16.31 C +ATOM 2815 C SER C 84 -1.740 14.590 14.181 1.00 16.72 C +ATOM 2816 O SER C 84 -0.882 13.728 14.196 1.00 20.08 O +ATOM 2817 CB SER C 84 -1.928 15.701 12.069 1.00 25.74 C +ATOM 2818 OG SER C 84 -2.988 16.059 11.690 1.00 36.74 O +ATOM 2819 N ASP C 85 -1.671 15.596 15.245 1.00 14.56 N +ATOM 2820 CA ASP C 85 -0.682 15.299 16.354 1.00 16.51 C +ATOM 2821 C ASP C 85 -0.794 14.103 17.109 1.00 12.46 C +ATOM 2822 O ASP C 85 0.064 13.405 17.411 1.00 15.88 O +ATOM 2823 CB ASP C 85 -0.758 16.459 17.195 1.00 24.70 C +ATOM 2824 CG ASP C 85 -0.167 17.721 16.629 1.00 34.11 C +ATOM 2825 OD1 ASP C 85 0.446 17.900 15.796 1.00 25.15 O +ATOM 2826 OD2 ASP C 85 -0.625 18.754 17.406 1.00 33.76 O +ATOM 2827 N LEU C 86 -2.190 13.771 17.337 1.00 12.70 N +ATOM 2828 CA LEU C 86 -2.467 12.693 18.111 1.00 16.53 C +ATOM 2829 C LEU C 86 -2.015 11.303 17.695 1.00 14.13 C +ATOM 2830 O LEU C 86 -1.425 10.432 18.116 1.00 17.79 O +ATOM 2831 CB LEU C 86 -3.980 12.638 18.447 1.00 18.93 C +ATOM 2832 CG LEU C 86 -4.506 11.657 19.521 1.00 29.36 C +ATOM 2833 CD1 LEU C 86 -3.802 11.791 20.879 1.00 25.18 C +ATOM 2834 CD2 LEU C 86 -5.938 11.585 19.602 1.00 37.62 C +ATOM 2835 N HIS C 87 -2.350 11.290 16.308 1.00 15.64 N +ATOM 2836 CA HIS C 87 -2.196 9.988 15.684 1.00 15.27 C +ATOM 2837 C HIS C 87 -0.432 9.776 15.294 1.00 11.96 C +ATOM 2838 O HIS C 87 -0.010 8.655 15.509 1.00 15.54 O +ATOM 2839 CB HIS C 87 -2.877 9.761 14.248 1.00 15.31 C +ATOM 2840 CG HIS C 87 -4.370 9.569 14.496 1.00 12.16 C +ATOM 2841 ND1 HIS C 87 -5.204 10.514 14.931 1.00 15.96 N +ATOM 2842 CD2 HIS C 87 -5.162 8.339 14.571 1.00 14.58 C +ATOM 2843 CE1 HIS C 87 -6.508 9.921 15.132 1.00 13.46 C +ATOM 2844 NE2 HIS C 87 -6.403 8.796 14.850 1.00 17.27 N +ATOM 2845 N ALA C 88 0.106 11.030 15.024 1.00 14.25 N +ATOM 2846 CA ALA C 88 1.440 11.027 14.747 1.00 15.37 C +ATOM 2847 C ALA C 88 2.402 10.439 15.994 1.00 19.72 C +ATOM 2848 O ALA C 88 3.419 9.888 15.742 1.00 18.60 O +ATOM 2849 CB ALA C 88 2.009 12.263 14.095 1.00 17.41 C +ATOM 2850 N HIS C 89 2.139 11.270 17.065 1.00 17.52 N +ATOM 2851 CA HIS C 89 2.856 11.246 18.393 1.00 20.01 C +ATOM 2852 C HIS C 89 2.445 10.295 19.376 1.00 19.52 C +ATOM 2853 O HIS C 89 3.400 9.856 20.127 1.00 22.69 O +ATOM 2854 CB HIS C 89 3.204 12.750 18.766 1.00 26.82 C +ATOM 2855 CG HIS C 89 3.898 13.462 17.550 1.00 23.76 C +ATOM 2856 ND1 HIS C 89 5.028 13.110 16.879 1.00 28.14 N +ATOM 2857 CD2 HIS C 89 3.344 14.574 17.213 1.00 25.55 C +ATOM 2858 CE1 HIS C 89 4.845 14.030 16.064 1.00 32.36 C +ATOM 2859 NE2 HIS C 89 4.173 15.010 16.064 1.00 29.26 N +ATOM 2860 N LYS C 90 1.340 9.800 19.443 1.00 16.72 N +ATOM 2861 CA LYS C 90 0.718 9.223 20.440 1.00 20.32 C +ATOM 2862 C LYS C 90 0.299 7.707 20.002 1.00 20.91 C +ATOM 2863 O LYS C 90 0.862 6.631 20.320 1.00 23.22 O +ATOM 2864 CB LYS C 90 -0.138 9.844 21.447 1.00 20.81 C +ATOM 2865 CG LYS C 90 -0.560 8.580 22.285 1.00 29.14 C +ATOM 2866 CD LYS C 90 -1.751 9.734 23.205 1.00 67.74 C +ATOM 2867 CE LYS C 90 -1.793 8.441 24.607 1.00 66.29 C +ATOM 2868 NZ LYS C 90 -1.676 10.047 25.898 1.00 56.99 N +ATOM 2869 N LEU C 91 -0.852 7.689 19.140 1.00 13.37 N +ATOM 2870 CA LEU C 91 -1.388 6.384 18.683 1.00 10.47 C +ATOM 2871 C LEU C 91 -0.395 5.670 17.757 1.00 15.87 C +ATOM 2872 O LEU C 91 -0.337 4.504 17.810 1.00 17.45 O +ATOM 2873 CB LEU C 91 -2.734 6.916 18.060 1.00 11.80 C +ATOM 2874 CG LEU C 91 -3.503 7.677 18.936 1.00 14.59 C +ATOM 2875 CD1 LEU C 91 -4.817 8.063 18.135 1.00 18.31 C +ATOM 2876 CD2 LEU C 91 -3.927 6.656 20.006 1.00 19.42 C +ATOM 2877 N ARG C 92 0.163 6.386 16.757 1.00 17.30 N +ATOM 2878 CA ARG C 92 1.225 5.888 15.973 1.00 16.69 C +ATOM 2879 C ARG C 92 0.801 4.590 15.144 1.00 18.80 C +ATOM 2880 O ARG C 92 1.289 3.690 14.985 1.00 19.26 O +ATOM 2881 CB ARG C 92 2.462 5.556 16.835 1.00 13.64 C +ATOM 2882 CG ARG C 92 3.207 6.871 17.042 1.00 14.42 C +ATOM 2883 CD ARG C 92 4.320 6.680 18.089 1.00 27.16 C +ATOM 2884 NE ARG C 92 4.955 7.507 17.826 1.00 44.94 N +ATOM 2885 CZ ARG C 92 5.808 6.749 20.563 1.00 38.22 C +ATOM 2886 NH1 ARG C 92 4.053 6.376 21.084 1.00 33.94 N +ATOM 2887 NH2 ARG C 92 6.026 7.349 19.817 1.00 48.21 N +ATOM 2888 N VAL C 93 -0.511 4.844 14.546 1.00 13.36 N +ATOM 2889 CA VAL C 93 -1.122 3.790 13.672 1.00 14.31 C +ATOM 2890 C VAL C 93 -0.425 3.861 12.310 1.00 12.63 C +ATOM 2891 O VAL C 93 -0.266 4.875 11.618 1.00 14.78 O +ATOM 2892 CB VAL C 93 -2.622 4.322 13.422 1.00 8.72 C +ATOM 2893 CG1 VAL C 93 -3.298 3.413 12.409 1.00 14.83 C +ATOM 2894 CG2 VAL C 93 -3.256 4.402 14.761 1.00 15.34 C +ATOM 2895 N ASP C 94 -0.069 2.672 11.865 1.00 14.84 N +ATOM 2896 CA ASP C 94 0.516 2.634 10.645 1.00 17.19 C +ATOM 2897 C ASP C 94 -0.337 3.187 9.492 1.00 13.94 C +ATOM 2898 O ASP C 94 -1.496 2.844 9.436 1.00 13.55 O +ATOM 2899 CB ASP C 94 1.001 1.175 10.166 1.00 19.19 C +ATOM 2900 CG ASP C 94 2.066 1.114 9.015 1.00 25.98 C +ATOM 2901 OD1 ASP C 94 3.132 1.101 9.167 1.00 23.44 O +ATOM 2902 OD2 ASP C 94 1.457 1.246 7.818 1.00 20.10 O +ATOM 2903 N PRO C 95 0.336 3.997 8.656 1.00 13.43 N +ATOM 2904 CA PRO C 95 -0.533 4.680 7.482 1.00 16.10 C +ATOM 2905 C PRO C 95 -1.120 3.788 6.667 1.00 11.12 C +ATOM 2906 O PRO C 95 -2.331 4.229 6.243 1.00 14.55 O +ATOM 2907 CB PRO C 95 0.512 5.399 6.750 1.00 19.09 C +ATOM 2908 CG PRO C 95 1.437 5.610 7.677 1.00 18.28 C +ATOM 2909 CD PRO C 95 1.704 4.489 8.616 1.00 15.64 C +ATOM 2910 N VAL C 96 -0.975 2.426 6.418 1.00 15.60 N +ATOM 2911 CA VAL C 96 -1.688 1.553 5.597 1.00 13.24 C +ATOM 2912 C VAL C 96 -3.093 1.373 6.108 1.00 11.50 C +ATOM 2913 O VAL C 96 -4.125 1.168 5.337 1.00 13.19 O +ATOM 2914 CB VAL C 96 -0.963 0.166 5.595 1.00 20.64 C +ATOM 2915 CG1 VAL C 96 0.380 0.545 5.130 1.00 37.75 C +ATOM 2916 CG2 VAL C 96 -0.986 -0.723 6.614 1.00 28.85 C +ATOM 2917 N ASN C 97 -3.362 1.525 7.446 1.00 9.54 N +ATOM 2918 CA ASN C 97 -4.626 1.297 7.971 1.00 11.68 C +ATOM 2919 C ASN C 97 -5.641 2.261 7.562 1.00 9.63 C +ATOM 2920 O ASN C 97 -6.898 1.950 7.745 1.00 9.95 O +ATOM 2921 CB ASN C 97 -4.431 1.174 9.336 1.00 13.42 C +ATOM 2922 CG ASN C 97 -3.599 -0.084 9.836 1.00 14.06 C +ATOM 2923 OD1 ASN C 97 -3.997 -1.327 9.652 1.00 8.45 O +ATOM 2924 ND2 ASN C 97 -2.374 0.157 10.197 1.00 18.92 N +ATOM 2925 N PHE C 98 -5.236 3.438 7.306 1.00 11.20 N +ATOM 2926 CA PHE C 98 -6.082 4.528 6.931 1.00 10.00 C +ATOM 2927 C PHE C 98 -6.998 4.116 5.628 1.00 12.29 C +ATOM 2928 O PHE C 98 -8.203 4.405 5.580 1.00 11.85 O +ATOM 2929 CB PHE C 98 -5.520 5.917 6.784 1.00 11.84 C +ATOM 2930 CG PHE C 98 -4.966 6.392 8.161 1.00 10.85 C +ATOM 2931 CD1 PHE C 98 -5.796 7.234 8.908 1.00 20.50 C +ATOM 2932 CD2 PHE C 98 -3.900 5.913 8.688 1.00 15.66 C +ATOM 2933 CE1 PHE C 98 -5.555 7.714 10.141 1.00 25.62 C +ATOM 2934 CE2 PHE C 98 -3.735 6.528 10.021 1.00 23.17 C +ATOM 2935 CZ PHE C 98 -4.378 7.442 10.790 1.00 16.17 C +ATOM 2936 N LYS C 99 -6.268 3.417 4.783 1.00 12.40 N +ATOM 2937 CA LYS C 99 -6.999 2.958 3.593 1.00 16.89 C +ATOM 2938 C LYS C 99 -8.208 2.150 3.790 1.00 16.36 C +ATOM 2939 O LYS C 99 -9.081 1.954 3.131 1.00 12.00 O +ATOM 2940 CB LYS C 99 -5.965 2.519 2.404 1.00 37.75 C +ATOM 2941 CG LYS C 99 -5.634 1.867 2.299 1.00 60.42 C +ATOM 2942 CD LYS C 99 -4.523 1.328 0.960 1.00 80.12 C +ATOM 2943 CE LYS C 99 -5.145 -0.811 1.345 1.00 54.41 C +ATOM 2944 NZ LYS C 99 -4.072 -1.896 0.975 1.00 73.17 N +ATOM 2945 N LEU C 100 -7.771 1.248 4.812 1.00 11.58 N +ATOM 2946 CA LEU C 100 -8.668 0.083 5.298 1.00 10.08 C +ATOM 2947 C LEU C 100 -9.923 0.739 5.824 1.00 15.81 C +ATOM 2948 O LEU C 100 -11.033 0.328 5.495 1.00 12.64 O +ATOM 2949 CB LEU C 100 -7.919 -0.962 6.095 1.00 11.52 C +ATOM 2950 CG LEU C 100 -6.700 -1.456 5.659 1.00 12.29 C +ATOM 2951 CD1 LEU C 100 -6.140 -2.487 6.602 1.00 13.43 C +ATOM 2952 CD2 LEU C 100 -6.937 -2.037 4.366 1.00 20.82 C +ATOM 2953 N LEU C 101 -9.764 1.698 6.763 1.00 9.97 N +ATOM 2954 CA LEU C 101 -10.983 2.177 7.355 1.00 11.48 C +ATOM 2955 C LEU C 101 -11.756 3.062 6.216 1.00 15.63 C +ATOM 2956 O LEU C 101 -12.976 2.978 6.299 1.00 14.14 O +ATOM 2957 CB LEU C 101 -10.599 3.208 8.498 1.00 14.89 C +ATOM 2958 CG LEU C 101 -11.670 3.902 9.072 1.00 22.22 C +ATOM 2959 CD1 LEU C 101 -12.818 2.883 9.487 1.00 22.49 C +ATOM 2960 CD2 LEU C 101 -11.241 4.642 10.285 1.00 23.89 C +ATOM 2961 N SER C 102 -11.033 3.737 5.313 1.00 13.80 N +ATOM 2962 CA SER C 102 -11.714 4.605 4.376 1.00 7.27 C +ATOM 2963 C SER C 102 -12.532 3.565 3.508 1.00 8.13 C +ATOM 2964 O SER C 102 -13.716 4.048 3.196 1.00 14.48 O +ATOM 2965 CB SER C 102 -10.627 5.223 3.513 1.00 12.53 C +ATOM 2966 OG SER C 102 -9.908 6.246 4.205 1.00 16.99 O +ATOM 2967 N HIS C 103 -12.013 2.448 3.076 1.00 9.47 N +ATOM 2968 CA HIS C 103 -12.856 1.553 2.231 1.00 7.87 C +ATOM 2969 C HIS C 103 -13.969 1.179 3.005 1.00 9.96 C +ATOM 2970 O HIS C 103 -15.145 1.064 2.463 1.00 11.06 O +ATOM 2971 CB HIS C 103 -12.045 0.334 2.007 1.00 13.28 C +ATOM 2972 CG HIS C 103 -12.687 -0.723 1.251 1.00 12.69 C +ATOM 2973 ND1 HIS C 103 -12.940 -2.084 2.021 1.00 13.59 N +ATOM 2974 CD2 HIS C 103 -13.286 -0.768 0.111 1.00 11.80 C +ATOM 2975 CE1 HIS C 103 -13.607 -2.702 0.895 1.00 18.03 C +ATOM 2976 NE2 HIS C 103 -13.846 -2.052 -0.281 1.00 12.75 N +ATOM 2977 N CYS C 104 -13.956 0.809 4.281 1.00 11.32 N +ATOM 2978 CA CYS C 104 -15.102 0.402 5.220 1.00 10.36 C +ATOM 2979 C CYS C 104 -16.128 1.576 5.312 1.00 10.40 C +ATOM 2980 O CYS C 104 -17.326 1.230 5.408 1.00 13.45 O +ATOM 2981 CB CYS C 104 -14.679 -0.210 6.511 1.00 10.60 C +ATOM 2982 SG CYS C 104 -13.758 -1.766 6.256 1.00 14.84 S +ATOM 2983 N LEU C 105 -15.610 2.759 5.400 1.00 7.19 N +ATOM 2984 CA LEU C 105 -16.550 3.718 5.401 1.00 7.94 C +ATOM 2985 C LEU C 105 -17.308 3.811 4.064 1.00 12.20 C +ATOM 2986 O LEU C 105 -18.557 4.127 4.121 1.00 10.34 O +ATOM 2987 CB LEU C 105 -15.878 5.040 5.656 1.00 21.49 C +ATOM 2988 CG LEU C 105 -16.527 6.202 6.207 1.00 44.61 C +ATOM 2989 CD1 LEU C 105 -16.548 5.934 7.976 1.00 29.90 C +ATOM 2990 CD2 LEU C 105 -14.638 7.055 6.645 1.00 67.41 C +ATOM 2991 N LEU C 106 -16.563 3.801 3.055 1.00 12.01 N +ATOM 2992 CA LEU C 106 -17.399 3.653 1.720 1.00 11.59 C +ATOM 2993 C LEU C 106 -18.331 2.701 1.716 1.00 13.18 C +ATOM 2994 O LEU C 106 -19.445 3.007 1.174 1.00 13.67 O +ATOM 2995 CB LEU C 106 -16.393 3.784 0.463 1.00 15.01 C +ATOM 2996 CG LEU C 106 -15.665 4.920 0.043 1.00 26.98 C +ATOM 2997 CD1 LEU C 106 -14.786 4.477 -0.938 1.00 27.15 C +ATOM 2998 CD2 LEU C 106 -16.427 6.222 -0.197 1.00 28.82 C +ATOM 2999 N VAL C 107 -18.135 1.497 2.015 1.00 9.69 N +ATOM 3000 CA VAL C 107 -18.836 0.268 2.127 1.00 13.59 C +ATOM 3001 C VAL C 107 -20.197 0.605 2.883 1.00 17.84 C +ATOM 3002 O VAL C 107 -21.451 0.519 2.577 1.00 16.17 O +ATOM 3003 CB VAL C 107 -18.247 -1.024 2.534 1.00 6.66 C +ATOM 3004 CG1 VAL C 107 -19.313 -1.975 2.757 1.00 10.41 C +ATOM 3005 CG2 VAL C 107 -17.243 -1.377 1.493 1.00 9.95 C +ATOM 3006 N THR C 108 -20.022 1.317 4.069 1.00 12.50 N +ATOM 3007 CA THR C 108 -21.156 1.586 4.961 1.00 12.00 C +ATOM 3008 C THR C 108 -22.004 2.672 4.235 1.00 8.53 C +ATOM 3009 O THR C 108 -23.266 2.600 4.430 1.00 13.95 O +ATOM 3010 CB THR C 108 -20.489 2.175 6.313 1.00 10.15 C +ATOM 3011 OG1 THR C 108 -19.618 1.211 6.782 1.00 10.65 O +ATOM 3012 CG2 THR C 108 -21.574 2.581 7.303 1.00 9.30 C +ATOM 3013 N LEU C 109 -21.432 3.696 3.675 1.00 9.01 N +ATOM 3014 CA LEU C 109 -22.256 4.765 2.941 1.00 9.31 C +ATOM 3015 C LEU C 109 -23.120 4.001 2.078 1.00 15.85 C +ATOM 3016 O LEU C 109 -24.157 4.405 1.752 1.00 14.26 O +ATOM 3017 CB LEU C 109 -21.296 5.848 2.566 1.00 11.02 C +ATOM 3018 CG LEU C 109 -20.716 6.843 3.619 1.00 19.91 C +ATOM 3019 CD1 LEU C 109 -19.558 7.677 2.954 1.00 29.96 C +ATOM 3020 CD2 LEU C 109 -21.630 7.225 4.484 1.00 27.29 C +ATOM 3021 N ALA C 110 -22.355 3.185 1.097 1.00 14.51 N +ATOM 3022 CA ALA C 110 -22.975 2.438 -0.100 1.00 13.69 C +ATOM 3023 C ALA C 110 -24.179 1.916 0.467 1.00 24.66 C +ATOM 3024 O ALA C 110 -25.339 1.691 -0.205 1.00 18.31 O +ATOM 3025 CB ALA C 110 -21.958 1.541 -0.721 1.00 13.14 C +ATOM 3026 N ALA C 111 -24.108 1.069 1.636 1.00 17.30 N +ATOM 3027 CA ALA C 111 -25.131 0.205 2.227 1.00 14.98 C +ATOM 3028 C ALA C 111 -26.406 1.141 2.649 1.00 17.59 C +ATOM 3029 O ALA C 111 -27.374 0.392 2.964 1.00 18.70 O +ATOM 3030 CB ALA C 111 -24.528 -0.603 3.334 1.00 14.01 C +ATOM 3031 N HIS C 112 -26.145 2.311 3.092 1.00 17.57 N +ATOM 3032 CA HIS C 112 -27.157 3.218 3.684 1.00 17.81 C +ATOM 3033 C HIS C 112 -27.592 4.143 2.662 1.00 23.35 C +ATOM 3034 O HIS C 112 -28.643 4.846 3.027 1.00 25.70 O +ATOM 3035 CB HIS C 112 -26.632 3.907 4.985 1.00 19.09 C +ATOM 3036 CG HIS C 112 -26.731 2.953 5.878 1.00 25.33 C +ATOM 3037 ND1 HIS C 112 -25.315 2.095 6.535 1.00 35.05 N +ATOM 3038 CD2 HIS C 112 -27.507 2.446 6.914 1.00 26.57 C +ATOM 3039 CE1 HIS C 112 -25.696 1.397 7.484 1.00 18.65 C +ATOM 3040 NE2 HIS C 112 -27.041 1.550 7.786 1.00 32.92 N +ATOM 3041 N LEU C 113 -27.112 4.669 1.736 1.00 23.20 N +ATOM 3042 CA LEU C 113 -27.336 5.646 0.694 1.00 19.73 C +ATOM 3043 C LEU C 113 -27.527 4.917 -0.780 1.00 24.44 C +ATOM 3044 O LEU C 113 -26.931 5.709 -1.436 1.00 27.49 O +ATOM 3045 CB LEU C 113 -26.346 6.534 0.722 1.00 30.36 C +ATOM 3046 CG LEU C 113 -26.291 7.305 1.871 1.00 29.78 C +ATOM 3047 CD1 LEU C 113 -24.949 8.197 1.187 1.00 35.69 C +ATOM 3048 CD2 LEU C 113 -27.165 7.743 2.593 1.00 47.79 C +ATOM 3049 N PRO C 114 -28.533 4.269 -1.071 1.00 23.63 N +ATOM 3050 CA PRO C 114 -28.972 3.222 -2.364 1.00 26.62 C +ATOM 3051 C PRO C 114 -29.185 4.694 -3.555 1.00 35.32 C +ATOM 3052 O PRO C 114 -28.033 5.030 -4.238 1.00 38.93 O +ATOM 3053 CB PRO C 114 -29.692 2.344 -1.692 1.00 32.82 C +ATOM 3054 CG PRO C 114 -30.705 3.466 -1.031 1.00 48.45 C +ATOM 3055 CD PRO C 114 -29.572 3.964 0.093 1.00 44.41 C +ATOM 3056 N ALA C 115 -29.614 5.816 -3.110 1.00 34.13 N +ATOM 3057 CA ALA C 115 -29.733 6.788 -3.943 1.00 25.13 C +ATOM 3058 C ALA C 115 -28.814 7.547 -4.176 1.00 23.70 C +ATOM 3059 O ALA C 115 -28.484 8.189 -5.293 1.00 28.59 O +ATOM 3060 CB ALA C 115 -31.178 7.688 -4.040 1.00 49.66 C +ATOM 3061 N GLU C 116 -27.955 7.979 -3.256 1.00 19.87 N +ATOM 3062 CA GLU C 116 -26.996 9.192 -3.337 1.00 15.46 C +ATOM 3063 C GLU C 116 -25.546 8.615 -3.591 1.00 17.63 C +ATOM 3064 O GLU C 116 -24.903 9.456 -4.305 1.00 21.65 O +ATOM 3065 CB GLU C 116 -26.603 9.453 -1.769 1.00 24.21 C +ATOM 3066 CG GLU C 116 -28.465 8.862 -0.493 1.00 64.07 C +ATOM 3067 CD GLU C 116 -28.940 10.160 -0.964 1.00 64.09 C +ATOM 3068 OE1 GLU C 116 -28.783 10.922 -1.780 1.00 59.54 O +ATOM 3069 OE2 GLU C 116 -30.228 9.634 -0.550 1.00 58.51 O +ATOM 3070 N PHE C 117 -25.343 7.424 -3.452 1.00 18.06 N +ATOM 3071 CA PHE C 117 -24.055 6.750 -3.919 1.00 15.96 C +ATOM 3072 C PHE C 117 -23.837 6.451 -5.366 1.00 17.62 C +ATOM 3073 O PHE C 117 -23.697 5.333 -5.682 1.00 20.40 O +ATOM 3074 CB PHE C 117 -23.795 5.597 -3.019 1.00 11.69 C +ATOM 3075 CG PHE C 117 -22.482 5.073 -2.755 1.00 15.94 C +ATOM 3076 CD1 PHE C 117 -21.516 5.939 -2.024 1.00 20.23 C +ATOM 3077 CD2 PHE C 117 -21.879 3.939 -3.352 1.00 18.29 C +ATOM 3078 CE1 PHE C 117 -20.010 5.429 -1.856 1.00 21.74 C +ATOM 3079 CE2 PHE C 117 -20.499 3.543 -3.388 1.00 15.69 C +ATOM 3080 CZ PHE C 117 -19.734 4.357 -2.542 1.00 19.08 C +ATOM 3081 N THR C 118 -23.888 7.554 -6.187 1.00 16.36 N +ATOM 3082 CA THR C 118 -23.750 7.200 -7.579 1.00 24.73 C +ATOM 3083 C THR C 118 -22.162 7.085 -7.979 1.00 20.24 C +ATOM 3084 O THR C 118 -21.404 7.258 -6.938 1.00 17.57 O +ATOM 3085 CB THR C 118 -23.989 8.809 -8.229 1.00 24.50 C +ATOM 3086 OG1 THR C 118 -25.423 9.053 -8.024 1.00 43.24 O +ATOM 3087 CG2 THR C 118 -23.399 9.727 -8.021 1.00 20.86 C +ATOM 3088 N PRO C 119 -21.965 6.771 -8.980 1.00 16.01 N +ATOM 3089 CA PRO C 119 -20.523 6.700 -9.434 1.00 19.05 C +ATOM 3090 C PRO C 119 -19.780 7.932 -9.012 1.00 19.72 C +ATOM 3091 O PRO C 119 -18.600 7.893 -8.606 1.00 14.74 O +ATOM 3092 CB PRO C 119 -20.464 6.235 -10.815 1.00 21.12 C +ATOM 3093 CG PRO C 119 -21.872 5.425 -11.078 1.00 19.58 C +ATOM 3094 CD PRO C 119 -22.940 6.131 -10.122 1.00 19.86 C +ATOM 3095 N ALA C 120 -20.252 9.094 -9.502 1.00 19.86 N +ATOM 3096 CA ALA C 120 -19.548 10.276 -9.334 1.00 18.74 C +ATOM 3097 C ALA C 120 -19.388 10.637 -7.832 1.00 10.87 C +ATOM 3098 O ALA C 120 -18.248 11.251 -7.450 1.00 14.38 O +ATOM 3099 CB ALA C 120 -20.260 11.491 -9.979 1.00 23.51 C +ATOM 3100 N VAL C 121 -20.385 10.350 -7.040 1.00 15.38 N +ATOM 3101 CA VAL C 121 -20.425 10.526 -5.562 1.00 17.86 C +ATOM 3102 C VAL C 121 -19.282 9.640 -4.960 1.00 13.56 C +ATOM 3103 O VAL C 121 -18.551 10.181 -4.182 1.00 14.98 O +ATOM 3104 CB VAL C 121 -21.712 10.598 -4.961 1.00 16.82 C +ATOM 3105 CG1 VAL C 121 -21.586 10.574 -3.474 1.00 15.23 C +ATOM 3106 CG2 VAL C 121 -22.399 11.837 -5.508 1.00 18.21 C +ATOM 3107 N HIS C 122 -19.274 8.429 -5.423 1.00 13.62 N +ATOM 3108 CA HIS C 122 -18.258 7.352 -4.974 1.00 13.41 C +ATOM 3109 C HIS C 122 -16.927 7.953 -5.183 1.00 19.70 C +ATOM 3110 O HIS C 122 -16.069 7.929 -4.270 1.00 15.94 O +ATOM 3111 CB HIS C 122 -18.661 6.175 -5.608 1.00 13.44 C +ATOM 3112 CG HIS C 122 -17.896 4.996 -5.506 1.00 11.42 C +ATOM 3113 ND1 HIS C 122 -18.152 3.694 -5.975 1.00 16.43 N +ATOM 3114 CD2 HIS C 122 -16.677 4.952 -4.678 1.00 17.04 C +ATOM 3115 CE1 HIS C 122 -17.175 2.906 -5.621 1.00 20.17 C +ATOM 3116 NE2 HIS C 122 -16.333 3.490 -4.734 1.00 16.87 N +ATOM 3117 N ALA C 123 -16.663 8.527 -6.359 1.00 13.94 N +ATOM 3118 CA ALA C 123 -15.263 8.979 -6.644 1.00 17.63 C +ATOM 3119 C ALA C 123 -14.878 10.124 -5.801 1.00 15.63 C +ATOM 3120 O ALA C 123 -13.855 10.169 -5.195 1.00 16.32 O +ATOM 3121 CB ALA C 123 -15.304 9.355 -8.200 1.00 21.15 C +ATOM 3122 N SER C 124 -15.845 11.044 -5.588 1.00 11.75 N +ATOM 3123 CA SER C 124 -15.443 12.245 -4.719 1.00 15.01 C +ATOM 3124 C SER C 124 -15.332 11.744 -3.177 1.00 15.67 C +ATOM 3125 O SER C 124 -14.471 12.374 -2.655 1.00 13.45 O +ATOM 3126 CB SER C 124 -16.754 13.206 -4.754 1.00 14.78 C +ATOM 3127 OG SER C 124 -17.033 13.770 -6.107 1.00 17.64 O +ATOM 3128 N LEU C 125 -16.158 10.923 -2.823 1.00 10.43 N +ATOM 3129 CA LEU C 125 -15.983 10.431 -1.427 1.00 12.66 C +ATOM 3130 C LEU C 125 -14.705 9.708 -1.135 1.00 12.01 C +ATOM 3131 O LEU C 125 -13.873 9.973 -0.196 1.00 10.58 O +ATOM 3132 CB LEU C 125 -17.093 9.515 -1.060 1.00 10.32 C +ATOM 3133 CG LEU C 125 -18.393 10.264 -0.600 1.00 16.01 C +ATOM 3134 CD1 LEU C 125 -19.493 9.231 -0.642 1.00 21.31 C +ATOM 3135 CD2 LEU C 125 -18.244 11.194 0.645 1.00 19.17 C +ATOM 3136 N ASP C 126 -14.179 8.973 -2.132 1.00 15.23 N +ATOM 3137 CA ASP C 126 -12.896 8.220 -2.060 1.00 15.01 C +ATOM 3138 C ASP C 126 -11.877 9.262 -2.029 1.00 17.34 C +ATOM 3139 O ASP C 126 -10.873 9.161 -1.311 1.00 17.16 O +ATOM 3140 CB ASP C 126 -12.829 7.258 -3.164 1.00 14.23 C +ATOM 3141 CG ASP C 126 -11.630 6.072 -2.962 1.00 15.33 C +ATOM 3142 OD1 ASP C 126 -11.594 5.816 -1.849 1.00 21.18 O +ATOM 3143 OD2 ASP C 126 -10.723 6.195 -3.670 1.00 18.49 O +ATOM 3144 N LYS C 127 -11.889 10.369 -2.865 1.00 10.51 N +ATOM 3145 CA LYS C 127 -10.843 11.346 -2.937 1.00 9.26 C +ATOM 3146 C LYS C 127 -10.985 12.090 -1.550 1.00 10.60 C +ATOM 3147 O LYS C 127 -9.736 12.501 -1.011 1.00 13.38 O +ATOM 3148 CB LYS C 127 -11.128 12.473 -4.012 1.00 12.57 C +ATOM 3149 CG LYS C 127 -10.837 11.844 -5.259 1.00 21.03 C +ATOM 3150 CD LYS C 127 -11.084 12.905 -6.433 1.00 27.03 C +ATOM 3151 CE LYS C 127 -10.200 14.180 -6.287 1.00 36.89 C +ATOM 3152 NZ LYS C 127 -10.401 15.128 -7.495 1.00 25.75 N +ATOM 3153 N PHE C 128 -12.089 12.351 -1.096 1.00 12.44 N +ATOM 3154 CA PHE C 128 -12.150 13.112 0.060 1.00 14.73 C +ATOM 3155 C PHE C 128 -11.573 12.159 1.379 1.00 19.70 C +ATOM 3156 O PHE C 128 -10.742 12.890 2.141 1.00 15.58 O +ATOM 3157 CB PHE C 128 -13.559 13.504 0.502 1.00 11.17 C +ATOM 3158 CG PHE C 128 -13.873 13.981 2.080 1.00 11.86 C +ATOM 3159 CD1 PHE C 128 -13.416 15.303 2.300 1.00 15.77 C +ATOM 3160 CD2 PHE C 128 -14.468 13.060 2.611 1.00 23.89 C +ATOM 3161 CE1 PHE C 128 -13.803 15.496 3.630 1.00 14.00 C +ATOM 3162 CE2 PHE C 128 -14.618 13.544 4.103 1.00 26.48 C +ATOM 3163 CZ PHE C 128 -14.347 14.715 4.443 1.00 15.47 C +ATOM 3164 N LEU C 129 -11.958 10.929 1.410 1.00 14.00 N +ATOM 3165 CA LEU C 129 -11.373 10.116 2.580 1.00 13.04 C +ATOM 3166 C LEU C 129 -9.834 9.957 2.377 1.00 17.30 C +ATOM 3167 O LEU C 129 -8.955 10.001 3.360 1.00 14.75 O +ATOM 3168 CB LEU C 129 -11.850 8.796 2.608 1.00 12.12 C +ATOM 3169 CG LEU C 129 -13.240 8.898 3.000 1.00 20.92 C +ATOM 3170 CD1 LEU C 129 -14.044 7.674 2.880 1.00 26.64 C +ATOM 3171 CD2 LEU C 129 -13.522 9.300 4.355 1.00 35.02 C +ATOM 3172 N ALA C 130 -9.238 9.941 1.192 1.00 16.20 N +ATOM 3173 CA ALA C 130 -7.860 10.006 0.893 1.00 14.56 C +ATOM 3174 C ALA C 130 -7.216 11.214 1.438 1.00 19.27 C +ATOM 3175 O ALA C 130 -5.982 11.322 1.999 1.00 14.14 O +ATOM 3176 CB ALA C 130 -7.442 9.870 -0.423 1.00 17.10 C +ATOM 3177 N SER C 131 -7.839 12.284 1.109 1.00 18.74 N +ATOM 3178 CA SER C 131 -7.158 13.685 1.577 1.00 19.45 C +ATOM 3179 C SER C 131 -7.424 13.831 3.307 1.00 14.53 C +ATOM 3180 O SER C 131 -6.317 14.261 3.681 1.00 12.58 O +ATOM 3181 CB SER C 131 -8.220 14.954 1.086 1.00 22.90 C +ATOM 3182 OG SER C 131 -8.002 14.782 -0.395 1.00 37.64 O +ATOM 3183 N VAL C 132 -8.436 13.257 3.800 1.00 12.03 N +ATOM 3184 CA VAL C 132 -8.508 13.199 5.238 1.00 13.41 C +ATOM 3185 C VAL C 132 -7.272 12.425 5.809 1.00 19.42 C +ATOM 3186 O VAL C 132 -6.491 12.809 6.794 1.00 14.00 O +ATOM 3187 CB VAL C 132 -9.726 12.697 5.713 1.00 15.91 C +ATOM 3188 CG1 VAL C 132 -9.619 12.379 7.255 1.00 17.14 C +ATOM 3189 CG2 VAL C 132 -11.022 13.817 5.553 1.00 19.41 C +ATOM 3190 N SER C 133 -7.133 11.157 5.180 1.00 14.01 N +ATOM 3191 CA SER C 133 -6.066 10.266 5.421 1.00 13.12 C +ATOM 3192 C SER C 133 -4.733 10.965 5.281 1.00 21.83 C +ATOM 3193 O SER C 133 -3.772 10.686 6.325 1.00 18.12 O +ATOM 3194 CB SER C 133 -5.938 8.996 4.603 1.00 13.61 C +ATOM 3195 OG SER C 133 -7.161 8.346 5.111 1.00 18.98 O +ATOM 3196 N THR C 134 -4.427 11.617 4.350 1.00 17.53 N +ATOM 3197 CA THR C 134 -3.144 12.409 4.136 1.00 15.95 C +ATOM 3198 C THR C 134 -2.914 13.473 5.177 1.00 16.97 C +ATOM 3199 O THR C 134 -1.750 13.477 5.831 1.00 20.39 O +ATOM 3200 CB THR C 134 -3.269 13.086 2.683 1.00 18.28 C +ATOM 3201 OG1 THR C 134 -3.148 12.134 1.784 1.00 22.72 O +ATOM 3202 CG2 THR C 134 -2.059 13.978 2.401 1.00 22.70 C +ATOM 3203 N VAL C 135 -3.965 14.094 5.504 1.00 15.13 N +ATOM 3204 CA VAL C 135 -3.754 15.191 6.579 1.00 16.51 C +ATOM 3205 C VAL C 135 -3.260 14.323 7.873 1.00 16.40 C +ATOM 3206 O VAL C 135 -2.487 14.902 8.617 1.00 15.94 O +ATOM 3207 CB VAL C 135 -5.059 16.100 6.780 1.00 18.21 C +ATOM 3208 CG1 VAL C 135 -5.021 16.981 8.022 1.00 17.40 C +ATOM 3209 CG2 VAL C 135 -5.230 16.888 5.569 1.00 19.71 C +ATOM 3210 N LEU C 136 -4.222 13.312 8.307 1.00 12.10 N +ATOM 3211 CA LEU C 136 -4.023 12.675 9.630 1.00 15.98 C +ATOM 3212 C LEU C 136 -2.564 12.099 9.666 1.00 16.04 C +ATOM 3213 O LEU C 136 -2.112 11.725 10.867 1.00 16.42 O +ATOM 3214 CB LEU C 136 -5.060 11.690 9.725 1.00 16.86 C +ATOM 3215 CG LEU C 136 -6.464 12.340 9.949 1.00 24.99 C +ATOM 3216 CD1 LEU C 136 -7.273 11.133 10.442 1.00 18.69 C +ATOM 3217 CD2 LEU C 136 -6.479 13.221 11.104 1.00 43.05 C +ATOM 3218 N THR C 137 -1.948 11.875 8.493 1.00 14.30 N +ATOM 3219 CA THR C 137 -0.644 11.078 8.570 1.00 16.72 C +ATOM 3220 C THR C 137 0.600 12.250 8.229 1.00 20.27 C +ATOM 3221 O THR C 137 1.641 11.779 8.219 1.00 19.99 O +ATOM 3222 CB THR C 137 -0.616 9.898 7.452 1.00 21.82 C +ATOM 3223 OG1 THR C 137 -0.747 10.397 6.348 1.00 20.00 O +ATOM 3224 CG2 THR C 137 -1.429 8.802 8.131 1.00 20.00 C +ATOM 3225 N SER C 138 0.217 13.432 7.965 1.00 21.45 N +ATOM 3226 CA SER C 138 1.195 14.450 7.576 1.00 24.00 C +ATOM 3227 C SER C 138 2.427 14.664 8.641 1.00 26.98 C +ATOM 3228 O SER C 138 3.195 15.345 8.032 1.00 21.99 O +ATOM 3229 CB SER C 138 0.001 16.139 8.122 1.00 21.69 C +ATOM 3230 OG SER C 138 0.377 15.823 6.927 1.00 42.20 O +ATOM 3231 N LYS C 139 2.133 14.403 9.912 1.00 22.73 N +ATOM 3232 CA LYS C 139 3.191 14.934 10.883 1.00 27.59 C +ATOM 3233 C LYS C 139 3.975 13.581 11.372 1.00 19.22 C +ATOM 3234 O LYS C 139 4.646 13.643 12.389 1.00 14.35 O +ATOM 3235 CB LYS C 139 2.358 15.487 11.974 1.00 19.55 C +ATOM 3236 CG LYS C 139 2.071 17.001 11.340 1.00 22.79 C +ATOM 3237 CD LYS C 139 1.307 17.445 12.283 1.00 42.21 C +ATOM 3238 CE LYS C 139 1.086 19.324 11.798 1.00 36.26 C +ATOM 3239 NZ LYS C 139 -0.244 18.940 13.010 1.00 30.87 N +ATOM 3240 N TYR C 140 3.750 12.465 10.738 1.00 18.17 N +ATOM 3241 CA TYR C 140 4.409 11.291 11.242 1.00 17.49 C +ATOM 3242 C TYR C 140 5.879 11.300 11.241 1.00 19.10 C +ATOM 3243 O TYR C 140 6.366 10.507 12.197 1.00 22.35 O +ATOM 3244 CB TYR C 140 3.865 10.055 10.357 1.00 16.87 C +ATOM 3245 CG TYR C 140 2.674 9.300 10.891 1.00 12.61 C +ATOM 3246 CD1 TYR C 140 2.521 8.093 11.003 1.00 19.13 C +ATOM 3247 CD2 TYR C 140 1.410 10.025 11.225 1.00 16.63 C +ATOM 3248 CE1 TYR C 140 1.365 7.496 11.459 1.00 21.26 C +ATOM 3249 CE2 TYR C 140 0.269 9.420 11.748 1.00 17.45 C +ATOM 3250 CZ TYR C 140 0.153 8.203 11.775 1.00 14.84 C +ATOM 3251 OH TYR C 140 -0.838 7.429 12.277 1.00 15.53 O +ATOM 3252 N ARG C 141 6.450 11.994 10.246 1.00 20.34 N +ATOM 3253 CA ARG C 141 7.886 11.986 10.168 1.00 25.59 C +ATOM 3254 C ARG C 141 8.484 13.451 9.626 1.00 21.46 C +ATOM 3255 O ARG C 141 7.587 13.891 9.012 1.00 24.60 O +ATOM 3256 CB ARG C 141 8.511 10.698 9.627 1.00 27.67 C +ATOM 3257 CG ARG C 141 8.124 10.586 8.132 1.00 20.44 C +ATOM 3258 CD ARG C 141 8.972 9.192 7.851 1.00 27.35 C +ATOM 3259 NE ARG C 141 8.521 8.970 6.409 1.00 21.57 N +ATOM 3260 CZ ARG C 141 9.349 8.234 5.557 1.00 17.72 C +ATOM 3261 NH1 ARG C 141 10.182 7.400 5.980 1.00 16.11 N +ATOM 3262 NH2 ARG C 141 8.583 8.168 4.338 1.00 19.55 N +ATOM 3263 OXT ARG C 141 9.695 13.488 9.645 1.00 22.97 O +TER 3264 ARG C 141 +ATOM 3265 N VAL D 1 -8.916 -20.986 -1.208 1.00 44.53 N +ATOM 3266 CA VAL D 1 -8.728 -19.973 0.230 1.00 40.54 C +ATOM 3267 C VAL D 1 -9.597 -21.119 1.649 1.00 54.57 C +ATOM 3268 O VAL D 1 -10.511 -21.747 0.927 1.00 46.03 O +ATOM 3269 CB VAL D 1 -9.741 -18.620 0.365 1.00 59.62 C +ATOM 3270 CG1 VAL D 1 -8.976 -17.356 -0.533 1.00 56.25 C +ATOM 3271 CG2 VAL D 1 -10.766 -18.689 -0.199 1.00 44.49 C +ATOM 3272 N HIS D 2 -9.359 -20.204 2.359 1.00 54.55 N +ATOM 3273 CA HIS D 2 -10.028 -20.478 3.617 1.00 76.16 C +ATOM 3274 C HIS D 2 -11.503 -19.997 4.189 1.00 40.79 C +ATOM 3275 O HIS D 2 -10.949 -18.900 5.117 1.00 42.23 O +ATOM 3276 CB HIS D 2 -8.550 -21.746 4.671 1.00 61.25 C +ATOM 3277 CG HIS D 2 -9.111 -22.384 5.289 1.00 73.35 C +ATOM 3278 ND1 HIS D 2 -9.292 -20.744 7.139 1.00 63.32 N +ATOM 3279 CD2 HIS D 2 -10.298 -23.586 6.052 1.00 68.03 C +ATOM 3280 CE1 HIS D 2 -10.663 -21.227 8.362 1.00 55.48 C +ATOM 3281 NE2 HIS D 2 -10.906 -22.743 7.235 1.00 54.14 N +ATOM 3282 N LEU D 3 -12.538 -20.903 4.013 1.00 31.51 N +ATOM 3283 CA LEU D 3 -13.638 -20.047 4.223 1.00 32.74 C +ATOM 3284 C LEU D 3 -13.624 -20.741 5.723 1.00 43.55 C +ATOM 3285 O LEU D 3 -14.592 -22.168 5.344 1.00 38.09 O +ATOM 3286 CB LEU D 3 -14.958 -19.886 3.451 1.00 39.97 C +ATOM 3287 CG LEU D 3 -14.306 -18.748 2.457 1.00 33.25 C +ATOM 3288 CD1 LEU D 3 -15.545 -18.399 1.653 1.00 35.36 C +ATOM 3289 CD2 LEU D 3 -14.311 -17.477 2.906 1.00 43.98 C +ATOM 3290 N THR D 4 -14.873 -20.575 6.573 1.00 40.52 N +ATOM 3291 CA THR D 4 -15.571 -21.118 7.446 1.00 35.01 C +ATOM 3292 C THR D 4 -16.965 -21.835 7.057 1.00 36.50 C +ATOM 3293 O THR D 4 -17.217 -21.032 5.924 1.00 26.93 O +ATOM 3294 CB THR D 4 -15.866 -20.187 8.979 1.00 42.32 C +ATOM 3295 OG1 THR D 4 -16.874 -19.360 8.569 1.00 35.61 O +ATOM 3296 CG2 THR D 4 -14.805 -19.826 9.491 1.00 41.74 C +ATOM 3297 N PRO D 5 -17.421 -22.638 7.348 1.00 38.01 N +ATOM 3298 CA PRO D 5 -18.819 -22.801 6.165 1.00 45.26 C +ATOM 3299 C PRO D 5 -19.967 -21.905 6.477 1.00 40.88 C +ATOM 3300 O PRO D 5 -20.833 -21.591 5.783 1.00 35.71 O +ATOM 3301 CB PRO D 5 -19.489 -24.074 7.971 1.00 80.12 C +ATOM 3302 CG PRO D 5 -18.622 -24.429 8.450 1.00 36.53 C +ATOM 3303 CD PRO D 5 -17.099 -23.867 8.283 1.00 38.83 C +ATOM 3304 N GLU D 6 -19.807 -20.993 7.524 1.00 38.95 N +ATOM 3305 CA GLU D 6 -20.826 -20.251 7.892 1.00 54.36 C +ATOM 3306 C GLU D 6 -20.257 -18.491 6.516 1.00 29.53 C +ATOM 3307 O GLU D 6 -21.186 -18.231 6.189 1.00 34.33 O +ATOM 3308 CB GLU D 6 -20.808 -19.128 9.200 1.00 67.37 C +ATOM 3309 CG GLU D 6 -20.143 -19.295 9.841 1.00 68.32 C +ATOM 3310 CD GLU D 6 -19.833 -20.908 10.929 1.00 80.07 C +ATOM 3311 OE1 GLU D 6 -19.263 -21.552 10.554 1.00 62.33 O +ATOM 3312 OE2 GLU D 6 -17.422 -20.947 9.979 1.00 75.27 O +ATOM 3313 N GLU D 7 -19.046 -18.647 6.494 1.00 32.30 N +ATOM 3314 CA GLU D 7 -18.571 -17.615 5.450 1.00 26.92 C +ATOM 3315 C GLU D 7 -19.016 -18.399 3.955 1.00 36.61 C +ATOM 3316 O GLU D 7 -19.572 -17.530 3.297 1.00 31.61 O +ATOM 3317 CB GLU D 7 -17.035 -17.606 5.380 1.00 22.74 C +ATOM 3318 CG GLU D 7 -16.644 -16.558 6.886 1.00 25.68 C +ATOM 3319 CD GLU D 7 -15.325 -16.832 6.956 1.00 21.07 C +ATOM 3320 OE1 GLU D 7 -14.977 -15.445 7.269 1.00 41.17 O +ATOM 3321 OE2 GLU D 7 -14.302 -17.526 6.337 1.00 26.19 O +ATOM 3322 N LYS D 8 -18.754 -19.547 3.890 1.00 24.35 N +ATOM 3323 CA LYS D 8 -19.098 -20.158 2.364 1.00 27.18 C +ATOM 3324 C LYS D 8 -20.384 -20.203 2.052 1.00 23.43 C +ATOM 3325 O LYS D 8 -21.074 -19.662 1.178 1.00 23.08 O +ATOM 3326 CB LYS D 8 -18.527 -21.857 2.829 1.00 28.41 C +ATOM 3327 CG LYS D 8 -18.698 -21.991 1.053 1.00 48.31 C +ATOM 3328 CD LYS D 8 -18.147 -23.072 0.880 1.00 69.34 C +ATOM 3329 CE LYS D 8 -18.957 -23.705 -0.872 1.00 38.29 C +ATOM 3330 NZ LYS D 8 -17.931 -25.269 -1.374 1.00 72.55 N +ATOM 3331 N SER D 9 -21.307 -20.301 3.110 1.00 21.45 N +ATOM 3332 CA SER D 9 -22.632 -20.010 2.800 1.00 23.49 C +ATOM 3333 C SER D 9 -23.050 -18.608 2.651 1.00 32.73 C +ATOM 3334 O SER D 9 -24.111 -18.558 1.973 1.00 27.24 O +ATOM 3335 CB SER D 9 -23.425 -20.879 3.815 1.00 48.80 C +ATOM 3336 OG SER D 9 -24.248 -20.636 4.597 1.00 54.12 O +ATOM 3337 N ALA D 10 -22.340 -17.847 3.521 1.00 26.97 N +ATOM 3338 CA ALA D 10 -23.067 -16.421 3.397 1.00 27.01 C +ATOM 3339 C ALA D 10 -22.551 -15.974 1.781 1.00 23.29 C +ATOM 3340 O ALA D 10 -23.475 -15.280 1.185 1.00 20.87 O +ATOM 3341 CB ALA D 10 -22.056 -15.660 3.934 1.00 28.42 C +ATOM 3342 N VAL D 11 -21.472 -16.449 1.276 1.00 31.33 N +ATOM 3343 CA VAL D 11 -21.016 -15.993 -0.163 1.00 25.10 C +ATOM 3344 C VAL D 11 -21.923 -16.557 -1.184 1.00 18.64 C +ATOM 3345 O VAL D 11 -22.347 -15.774 -1.949 1.00 19.73 O +ATOM 3346 CB VAL D 11 -19.580 -16.599 -0.312 1.00 18.52 C +ATOM 3347 CG1 VAL D 11 -19.332 -16.430 -1.555 1.00 28.45 C +ATOM 3348 CG2 VAL D 11 -18.563 -15.544 0.540 1.00 21.05 C +ATOM 3349 N THR D 12 -22.095 -17.881 -0.865 1.00 19.99 N +ATOM 3350 CA THR D 12 -23.012 -18.659 -2.043 1.00 26.25 C +ATOM 3351 C THR D 12 -24.298 -18.196 -1.973 1.00 24.29 C +ATOM 3352 O THR D 12 -25.087 -17.804 -3.054 1.00 26.52 O +ATOM 3353 CB THR D 12 -23.024 -20.432 -1.285 1.00 24.72 C +ATOM 3354 OG1 THR D 12 -21.642 -20.629 -1.920 1.00 32.38 O +ATOM 3355 CG2 THR D 12 -24.127 -20.769 -2.067 1.00 56.05 C +ATOM 3356 N ALA D 13 -24.939 -17.863 -0.966 1.00 25.46 N +ATOM 3357 CA ALA D 13 -26.249 -17.368 -0.697 1.00 25.21 C +ATOM 3358 C ALA D 13 -26.716 -16.016 -1.505 1.00 24.39 C +ATOM 3359 O ALA D 13 -27.502 -15.783 -2.239 1.00 27.12 O +ATOM 3360 CB ALA D 13 -26.840 -17.284 0.237 1.00 40.91 C +ATOM 3361 N LEU D 14 -25.588 -15.038 -1.202 1.00 21.51 N +ATOM 3362 CA LEU D 14 -25.805 -13.895 -1.844 1.00 19.28 C +ATOM 3363 C LEU D 14 -25.557 -13.900 -3.355 1.00 20.58 C +ATOM 3364 O LEU D 14 -26.325 -13.141 -4.012 1.00 19.87 O +ATOM 3365 CB LEU D 14 -24.748 -12.802 -1.037 1.00 18.39 C +ATOM 3366 CG LEU D 14 -24.944 -11.344 -1.539 1.00 32.12 C +ATOM 3367 CD1 LEU D 14 -25.966 -10.962 -0.374 1.00 41.26 C +ATOM 3368 CD2 LEU D 14 -23.927 -10.587 -1.223 1.00 34.27 C +ATOM 3369 N TRP D 15 -24.663 -14.787 -3.692 1.00 16.79 N +ATOM 3370 CA TRP D 15 -24.253 -14.609 -5.178 1.00 13.47 C +ATOM 3371 C TRP D 15 -25.414 -15.354 -5.958 1.00 22.23 C +ATOM 3372 O TRP D 15 -25.691 -14.922 -7.051 1.00 22.75 O +ATOM 3373 CB TRP D 15 -23.003 -15.504 -5.278 1.00 17.27 C +ATOM 3374 CG TRP D 15 -22.390 -15.264 -6.607 1.00 18.39 C +ATOM 3375 CD1 TRP D 15 -22.417 -16.024 -7.714 1.00 29.85 C +ATOM 3376 CD2 TRP D 15 -21.683 -13.937 -6.966 1.00 19.14 C +ATOM 3377 NE1 TRP D 15 -21.775 -15.472 -8.770 1.00 25.67 N +ATOM 3378 CE2 TRP D 15 -21.205 -14.132 -8.458 1.00 18.90 C +ATOM 3379 CE3 TRP D 15 -21.251 -12.883 -6.227 1.00 24.35 C +ATOM 3380 CZ2 TRP D 15 -20.568 -13.098 -9.104 1.00 22.83 C +ATOM 3381 CZ3 TRP D 15 -20.364 -11.928 -6.894 1.00 24.62 C +ATOM 3382 CH2 TRP D 15 -20.127 -12.198 -8.397 1.00 30.44 C +ATOM 3383 N GLY D 16 -26.279 -16.244 -5.358 1.00 23.06 N +ATOM 3384 CA GLY D 16 -27.474 -16.657 -6.225 1.00 23.16 C +ATOM 3385 C GLY D 16 -28.300 -15.570 -6.485 1.00 26.54 C +ATOM 3386 O GLY D 16 -29.203 -15.791 -7.472 1.00 26.11 O +ATOM 3387 N LYS D 17 -28.475 -14.360 -5.980 1.00 18.84 N +ATOM 3388 CA LYS D 17 -29.272 -13.270 -5.974 1.00 24.96 C +ATOM 3389 C LYS D 17 -29.000 -12.271 -6.961 1.00 22.00 C +ATOM 3390 O LYS D 17 -29.037 -11.079 -7.508 1.00 24.63 O +ATOM 3391 CB LYS D 17 -29.587 -12.449 -4.588 1.00 28.33 C +ATOM 3392 CG LYS D 17 -30.108 -13.362 -3.795 1.00 27.71 C +ATOM 3393 CD LYS D 17 -30.415 -12.422 -2.822 1.00 33.37 C +ATOM 3394 CE LYS D 17 -30.390 -12.386 -1.399 1.00 43.68 C +ATOM 3395 NZ LYS D 17 -31.873 -11.072 -1.369 1.00 36.22 N +ATOM 3396 N VAL D 18 -27.474 -12.385 -7.448 1.00 33.39 N +ATOM 3397 CA VAL D 18 -26.489 -11.309 -8.320 1.00 24.51 C +ATOM 3398 C VAL D 18 -27.096 -11.570 -9.917 1.00 27.24 C +ATOM 3399 O VAL D 18 -26.940 -12.785 -10.011 1.00 26.54 O +ATOM 3400 CB VAL D 18 -25.245 -11.428 -8.185 1.00 31.98 C +ATOM 3401 CG1 VAL D 18 -24.320 -10.896 -8.917 1.00 31.25 C +ATOM 3402 CG2 VAL D 18 -24.647 -11.020 -6.542 1.00 22.12 C +ATOM 3403 N ASN D 19 -27.428 -10.545 -10.401 1.00 25.81 N +ATOM 3404 CA ASN D 19 -27.299 -10.403 -11.802 1.00 27.55 C +ATOM 3405 C ASN D 19 -26.159 -10.452 -12.333 1.00 24.31 C +ATOM 3406 O ASN D 19 -25.632 -9.111 -12.336 1.00 20.67 O +ATOM 3407 CB ASN D 19 -28.399 -9.524 -12.285 1.00 40.49 C +ATOM 3408 CG ASN D 19 -28.856 -10.175 -13.808 1.00 44.62 C +ATOM 3409 OD1 ASN D 19 -27.731 -9.601 -14.786 1.00 45.68 O +ATOM 3410 ND2 ASN D 19 -29.658 -8.823 -14.484 1.00 50.78 N +ATOM 3411 N VAL D 20 -25.460 -11.215 -12.835 1.00 22.82 N +ATOM 3412 CA VAL D 20 -23.926 -10.940 -13.321 1.00 40.38 C +ATOM 3413 C VAL D 20 -23.628 -9.968 -13.933 1.00 37.93 C +ATOM 3414 O VAL D 20 -22.741 -9.105 -14.256 1.00 32.18 O +ATOM 3415 CB VAL D 20 -22.524 -12.140 -14.217 1.00 63.33 C +ATOM 3416 CG1 VAL D 20 -22.926 -12.781 -13.318 1.00 54.80 C +ATOM 3417 CG2 VAL D 20 -23.373 -13.095 -12.306 1.00 34.72 C +ATOM 3418 N ASP D 21 -24.469 -9.996 -15.091 1.00 36.66 N +ATOM 3419 CA ASP D 21 -24.588 -8.635 -15.872 1.00 54.12 C +ATOM 3420 C ASP D 21 -24.717 -7.685 -15.749 1.00 46.84 C +ATOM 3421 O ASP D 21 -23.610 -6.686 -15.937 1.00 32.53 O +ATOM 3422 CB ASP D 21 -25.603 -8.934 -17.011 1.00 60.03 C +ATOM 3423 CG ASP D 21 -25.523 -10.565 -17.717 1.00 75.30 C +ATOM 3424 OD1 ASP D 21 -24.242 -11.481 -17.893 1.00 51.52 O +ATOM 3425 OD2 ASP D 21 -25.948 -10.502 -18.826 1.00 64.70 O +ATOM 3426 N GLU D 22 -25.623 -7.162 -14.906 1.00 27.09 N +ATOM 3427 CA GLU D 22 -25.919 -5.886 -14.386 1.00 23.15 C +ATOM 3428 C GLU D 22 -24.427 -5.530 -13.395 1.00 19.08 C +ATOM 3429 O GLU D 22 -24.197 -4.407 -13.172 1.00 21.80 O +ATOM 3430 CB GLU D 22 -27.280 -5.934 -13.774 1.00 35.52 C +ATOM 3431 CG GLU D 22 -27.211 -5.635 -13.083 1.00 68.74 C +ATOM 3432 CD GLU D 22 -28.960 -4.398 -12.033 1.00 80.12 C +ATOM 3433 OE1 GLU D 22 -29.624 -5.184 -11.024 1.00 61.13 O +ATOM 3434 OE2 GLU D 22 -29.463 -4.100 -13.136 1.00 73.88 O +ATOM 3435 N VAL D 23 -24.426 -6.315 -12.392 1.00 20.94 N +ATOM 3436 CA VAL D 23 -23.348 -6.099 -11.326 1.00 17.82 C +ATOM 3437 C VAL D 23 -21.966 -6.004 -12.061 1.00 15.07 C +ATOM 3438 O VAL D 23 -21.155 -5.154 -11.664 1.00 21.11 O +ATOM 3439 CB VAL D 23 -23.341 -7.268 -10.216 1.00 18.64 C +ATOM 3440 CG1 VAL D 23 -22.169 -7.160 -9.566 1.00 21.45 C +ATOM 3441 CG2 VAL D 23 -24.676 -6.892 -9.537 1.00 21.02 C +ATOM 3442 N GLY D 24 -21.629 -6.780 -12.936 1.00 12.96 N +ATOM 3443 CA GLY D 24 -20.442 -6.846 -13.669 1.00 18.39 C +ATOM 3444 C GLY D 24 -20.261 -5.559 -14.312 1.00 16.60 C +ATOM 3445 O GLY D 24 -19.233 -4.768 -14.272 1.00 15.31 O +ATOM 3446 N GLY D 25 -21.132 -4.866 -15.117 1.00 17.32 N +ATOM 3447 CA GLY D 25 -21.127 -3.499 -15.792 1.00 16.45 C +ATOM 3448 C GLY D 25 -21.008 -2.525 -14.804 1.00 12.17 C +ATOM 3449 O GLY D 25 -20.114 -1.633 -15.055 1.00 21.20 O +ATOM 3450 N GLU D 26 -21.690 -2.622 -13.683 1.00 15.97 N +ATOM 3451 CA GLU D 26 -21.600 -1.628 -12.730 1.00 13.66 C +ATOM 3452 C GLU D 26 -20.044 -1.546 -12.031 1.00 11.75 C +ATOM 3453 O GLU D 26 -19.572 -0.450 -11.864 1.00 13.88 O +ATOM 3454 CB GLU D 26 -22.662 -1.686 -11.514 1.00 18.62 C +ATOM 3455 CG GLU D 26 -23.979 0.008 -11.890 1.00 39.81 C +ATOM 3456 CD GLU D 26 -22.700 -0.395 -10.542 1.00 31.77 C +ATOM 3457 OE1 GLU D 26 -23.368 1.259 -10.392 1.00 34.99 O +ATOM 3458 OE2 GLU D 26 -24.210 -0.810 -9.865 1.00 54.79 O +ATOM 3459 N ALA D 27 -19.673 -2.710 -11.707 1.00 12.60 N +ATOM 3460 CA ALA D 27 -18.269 -2.901 -11.078 1.00 17.85 C +ATOM 3461 C ALA D 27 -17.180 -2.341 -11.937 1.00 15.51 C +ATOM 3462 O ALA D 27 -16.331 -1.489 -11.550 1.00 14.90 O +ATOM 3463 CB ALA D 27 -18.048 -4.225 -10.534 1.00 15.58 C +ATOM 3464 N LEU D 28 -17.183 -2.729 -13.203 1.00 16.04 N +ATOM 3465 CA LEU D 28 -16.186 -2.309 -14.163 1.00 11.08 C +ATOM 3466 C LEU D 28 -16.248 -0.897 -14.292 1.00 13.51 C +ATOM 3467 O LEU D 28 -15.238 -0.124 -14.487 1.00 14.05 O +ATOM 3468 CB LEU D 28 -16.275 -3.066 -15.497 1.00 12.20 C +ATOM 3469 CG LEU D 28 -14.973 -2.764 -16.433 1.00 28.52 C +ATOM 3470 CD1 LEU D 28 -13.779 -3.087 -15.679 1.00 36.95 C +ATOM 3471 CD2 LEU D 28 -15.242 -3.401 -17.606 1.00 34.25 C +ATOM 3472 N GLY D 29 -17.518 -0.283 -14.622 1.00 12.33 N +ATOM 3473 CA GLY D 29 -17.751 1.088 -14.735 1.00 13.25 C +ATOM 3474 C GLY D 29 -17.136 1.954 -13.603 1.00 12.50 C +ATOM 3475 O GLY D 29 -16.531 3.012 -13.890 1.00 16.69 O +ATOM 3476 N ARG D 30 -17.539 1.491 -12.441 1.00 15.15 N +ATOM 3477 CA ARG D 30 -17.026 2.243 -11.337 1.00 17.77 C +ATOM 3478 C ARG D 30 -15.527 2.171 -11.160 1.00 14.35 C +ATOM 3479 O ARG D 30 -14.968 3.218 -10.798 1.00 14.59 O +ATOM 3480 CB ARG D 30 -17.892 1.792 -10.040 1.00 15.53 C +ATOM 3481 CG ARG D 30 -19.275 2.313 -9.820 1.00 16.65 C +ATOM 3482 CD ARG D 30 -19.931 1.839 -8.709 1.00 28.01 C +ATOM 3483 NE ARG D 30 -21.099 2.164 -8.522 1.00 23.10 N +ATOM 3484 CZ ARG D 30 -21.731 3.109 -7.922 1.00 16.06 C +ATOM 3485 NH1 ARG D 30 -22.965 3.397 -7.723 1.00 17.46 N +ATOM 3486 NH2 ARG D 30 -21.050 3.807 -6.871 1.00 10.32 N +ATOM 3487 N LEU D 31 -14.961 1.160 -11.442 1.00 15.53 N +ATOM 3488 CA LEU D 31 -13.554 1.103 -11.546 1.00 14.63 C +ATOM 3489 C LEU D 31 -12.894 2.305 -12.254 1.00 16.67 C +ATOM 3490 O LEU D 31 -11.964 2.890 -11.986 1.00 15.33 O +ATOM 3491 CB LEU D 31 -12.961 -0.342 -11.951 1.00 12.02 C +ATOM 3492 CG LEU D 31 -11.524 -0.502 -11.963 1.00 17.81 C +ATOM 3493 CD1 LEU D 31 -10.867 -0.718 -10.607 1.00 18.94 C +ATOM 3494 CD2 LEU D 31 -11.112 -1.549 -12.889 1.00 18.38 C +ATOM 3495 N LEU D 32 -13.461 2.265 -13.601 1.00 8.95 N +ATOM 3496 CA LEU D 32 -13.016 3.232 -14.475 1.00 13.61 C +ATOM 3497 C LEU D 32 -13.249 4.589 -14.109 1.00 13.07 C +ATOM 3498 O LEU D 32 -12.457 5.593 -14.562 1.00 15.98 O +ATOM 3499 CB LEU D 32 -13.512 2.944 -15.805 1.00 14.00 C +ATOM 3500 CG LEU D 32 -12.943 1.707 -16.403 1.00 23.55 C +ATOM 3501 CD1 LEU D 32 -13.857 1.407 -17.761 1.00 25.80 C +ATOM 3502 CD2 LEU D 32 -11.759 1.263 -16.551 1.00 26.67 C +ATOM 3503 N VAL D 33 -14.340 4.892 -13.280 1.00 13.83 N +ATOM 3504 CA VAL D 33 -14.717 6.296 -12.776 1.00 13.13 C +ATOM 3505 C VAL D 33 -13.702 6.655 -11.697 1.00 16.82 C +ATOM 3506 O VAL D 33 -13.288 7.735 -11.589 1.00 15.10 O +ATOM 3507 CB VAL D 33 -16.181 6.271 -12.468 1.00 11.59 C +ATOM 3508 CG1 VAL D 33 -16.396 7.592 -11.833 1.00 21.42 C +ATOM 3509 CG2 VAL D 33 -16.955 6.215 -13.830 1.00 18.60 C +ATOM 3510 N VAL D 34 -13.788 5.741 -10.696 1.00 12.61 N +ATOM 3511 CA VAL D 34 -13.205 6.102 -9.422 1.00 13.03 C +ATOM 3512 C VAL D 34 -11.709 6.268 -9.501 1.00 15.88 C +ATOM 3513 O VAL D 34 -11.074 6.862 -8.702 1.00 16.40 O +ATOM 3514 CB VAL D 34 -13.754 5.224 -8.226 1.00 15.07 C +ATOM 3515 CG1 VAL D 34 -13.038 5.375 -6.973 1.00 13.90 C +ATOM 3516 CG2 VAL D 34 -15.220 5.422 -8.063 1.00 18.23 C +ATOM 3517 N TYR D 35 -11.136 5.248 -10.266 1.00 11.62 N +ATOM 3518 CA TYR D 35 -9.629 5.095 -10.409 1.00 14.47 C +ATOM 3519 C TYR D 35 -9.420 5.204 -11.973 1.00 16.31 C +ATOM 3520 O TYR D 35 -9.060 4.177 -12.606 1.00 17.14 O +ATOM 3521 CB TYR D 35 -9.241 3.705 -9.961 1.00 14.04 C +ATOM 3522 CG TYR D 35 -9.664 3.371 -8.620 1.00 16.50 C +ATOM 3523 CD1 TYR D 35 -9.076 4.102 -7.605 1.00 16.28 C +ATOM 3524 CD2 TYR D 35 -10.520 2.540 -8.304 1.00 21.92 C +ATOM 3525 CE1 TYR D 35 -9.315 3.966 -6.162 1.00 18.51 C +ATOM 3526 CE2 TYR D 35 -10.873 2.362 -6.966 1.00 25.13 C +ATOM 3527 CZ TYR D 35 -10.254 3.015 -5.920 1.00 19.91 C +ATOM 3528 OH TYR D 35 -10.861 2.820 -4.629 1.00 21.91 O +ATOM 3529 N PRO D 36 -9.392 6.463 -12.417 1.00 14.59 N +ATOM 3530 CA PRO D 36 -9.346 6.600 -14.037 1.00 16.73 C +ATOM 3531 C PRO D 36 -8.099 6.185 -14.723 1.00 13.23 C +ATOM 3532 O PRO D 36 -8.183 5.907 -15.944 1.00 15.17 O +ATOM 3533 CB PRO D 36 -9.750 8.096 -14.119 1.00 24.30 C +ATOM 3534 CG PRO D 36 -9.458 8.680 -12.746 1.00 25.67 C +ATOM 3535 CD PRO D 36 -9.575 7.632 -11.872 1.00 17.58 C +ATOM 3536 N TRP D 37 -6.974 5.929 -13.940 1.00 13.75 N +ATOM 3537 CA TRP D 37 -5.897 5.496 -14.615 1.00 15.13 C +ATOM 3538 C TRP D 37 -5.961 4.094 -15.089 1.00 14.32 C +ATOM 3539 O TRP D 37 -5.292 3.617 -16.098 1.00 19.70 O +ATOM 3540 CB TRP D 37 -4.642 5.522 -13.687 1.00 13.13 C +ATOM 3541 CG TRP D 37 -4.793 4.873 -12.298 1.00 8.65 C +ATOM 3542 CD1 TRP D 37 -4.494 3.633 -11.929 1.00 13.10 C +ATOM 3543 CD2 TRP D 37 -5.201 5.532 -10.999 1.00 14.59 C +ATOM 3544 NE1 TRP D 37 -4.604 3.407 -10.644 1.00 17.65 N +ATOM 3545 CE2 TRP D 37 -5.232 4.530 -10.117 1.00 16.05 C +ATOM 3546 CE3 TRP D 37 -5.786 6.762 -10.728 1.00 11.20 C +ATOM 3547 CZ2 TRP D 37 -5.541 4.775 -8.606 1.00 26.88 C +ATOM 3548 CZ3 TRP D 37 -6.287 7.021 -9.443 1.00 11.28 C +ATOM 3549 CH2 TRP D 37 -5.996 6.001 -8.551 1.00 16.90 C +ATOM 3550 N THR D 38 -6.984 3.333 -14.581 1.00 16.64 N +ATOM 3551 CA THR D 38 -7.362 1.995 -14.995 1.00 14.14 C +ATOM 3552 C THR D 38 -7.792 2.033 -16.539 1.00 18.16 C +ATOM 3553 O THR D 38 -7.920 0.930 -17.161 1.00 16.15 O +ATOM 3554 CB THR D 38 -8.440 1.318 -14.155 1.00 11.09 C +ATOM 3555 OG1 THR D 38 -9.618 2.008 -14.130 1.00 14.48 O +ATOM 3556 CG2 THR D 38 -7.730 1.043 -12.892 1.00 16.14 C +ATOM 3557 N GLN D 39 -8.345 3.275 -16.962 1.00 12.07 N +ATOM 3558 CA GLN D 39 -8.833 3.256 -18.352 1.00 10.72 C +ATOM 3559 C GLN D 39 -7.732 3.116 -19.349 1.00 16.84 C +ATOM 3560 O GLN D 39 -7.933 2.801 -20.471 1.00 21.52 O +ATOM 3561 CB GLN D 39 -9.205 4.786 -18.517 1.00 13.63 C +ATOM 3562 CG GLN D 39 -10.419 4.929 -17.639 1.00 17.04 C +ATOM 3563 CD GLN D 39 -10.861 6.282 -17.855 1.00 23.47 C +ATOM 3564 OE1 GLN D 39 -10.432 7.200 -18.833 1.00 25.04 O +ATOM 3565 NE2 GLN D 39 -11.740 6.840 -16.888 1.00 28.38 N +ATOM 3566 N ARG D 40 -6.331 2.999 -19.002 1.00 12.32 N +ATOM 3567 CA ARG D 40 -5.095 2.844 -19.730 1.00 16.79 C +ATOM 3568 C ARG D 40 -5.433 1.605 -20.411 1.00 17.58 C +ATOM 3569 O ARG D 40 -4.682 1.315 -21.633 1.00 20.86 O +ATOM 3570 CB ARG D 40 -3.966 2.461 -18.813 1.00 22.83 C +ATOM 3571 CG ARG D 40 -3.694 1.460 -18.189 1.00 37.26 C +ATOM 3572 CD ARG D 40 -2.418 1.834 -17.304 1.00 23.75 C +ATOM 3573 NE ARG D 40 -1.279 2.091 -17.831 1.00 28.71 N +ATOM 3574 CZ ARG D 40 -0.609 1.176 -18.760 1.00 41.77 C +ATOM 3575 NH1 ARG D 40 -0.700 0.067 -18.486 1.00 31.05 N +ATOM 3576 NH2 ARG D 40 0.625 1.911 -19.038 1.00 37.79 N +ATOM 3577 N PHE D 41 -6.207 0.540 -20.107 1.00 15.17 N +ATOM 3578 CA PHE D 41 -6.336 -0.770 -20.711 1.00 16.55 C +ATOM 3579 C PHE D 41 -7.612 -0.691 -21.880 1.00 20.00 C +ATOM 3580 O PHE D 41 -7.651 -1.868 -22.265 1.00 23.52 O +ATOM 3581 CB PHE D 41 -6.568 -1.995 -19.811 1.00 13.75 C +ATOM 3582 CG PHE D 41 -5.344 -2.033 -18.714 1.00 12.41 C +ATOM 3583 CD1 PHE D 41 -5.592 -1.379 -17.449 1.00 16.97 C +ATOM 3584 CD2 PHE D 41 -4.233 -2.496 -19.084 1.00 18.05 C +ATOM 3585 CE1 PHE D 41 -4.371 -1.693 -16.818 1.00 23.07 C +ATOM 3586 CE2 PHE D 41 -3.008 -2.505 -18.298 1.00 24.82 C +ATOM 3587 CZ PHE D 41 -3.359 -2.006 -17.025 1.00 25.09 C +ATOM 3588 N PHE D 42 -8.192 0.386 -21.832 1.00 15.21 N +ATOM 3589 CA PHE D 42 -9.461 0.148 -22.436 1.00 14.18 C +ATOM 3590 C PHE D 42 -9.645 1.104 -23.586 1.00 19.41 C +ATOM 3591 O PHE D 42 -10.690 1.871 -23.828 1.00 18.71 O +ATOM 3592 CB PHE D 42 -10.613 0.298 -21.592 1.00 21.58 C +ATOM 3593 CG PHE D 42 -10.602 -1.034 -20.710 1.00 17.63 C +ATOM 3594 CD1 PHE D 42 -10.145 -0.545 -19.164 1.00 20.37 C +ATOM 3595 CD2 PHE D 42 -11.012 -2.318 -21.048 1.00 20.14 C +ATOM 3596 CE1 PHE D 42 -10.225 -1.848 -18.434 1.00 27.02 C +ATOM 3597 CE2 PHE D 42 -10.887 -3.301 -20.223 1.00 27.08 C +ATOM 3598 CZ PHE D 42 -10.474 -2.972 -18.757 1.00 18.28 C +ATOM 3599 N GLU D 43 -8.375 1.400 -24.058 1.00 32.32 N +ATOM 3600 CA GLU D 43 -8.561 2.747 -24.914 1.00 33.61 C +ATOM 3601 C GLU D 43 -9.574 2.656 -26.563 1.00 12.75 C +ATOM 3602 O GLU D 43 -9.904 3.604 -26.926 1.00 26.94 O +ATOM 3603 CB GLU D 43 -7.590 2.897 -25.572 1.00 65.31 C +ATOM 3604 CG GLU D 43 -6.882 2.859 -25.890 1.00 43.00 C +ATOM 3605 CD GLU D 43 -6.060 4.011 -24.596 1.00 32.00 C +ATOM 3606 OE1 GLU D 43 -6.764 5.450 -24.611 1.00 29.89 O +ATOM 3607 OE2 GLU D 43 -4.721 4.728 -24.142 1.00 58.55 O +ATOM 3608 N SER D 44 -9.605 1.289 -26.702 1.00 19.02 N +ATOM 3609 CA SER D 44 -10.333 0.707 -27.924 1.00 25.67 C +ATOM 3610 C SER D 44 -11.604 0.898 -27.554 1.00 26.66 C +ATOM 3611 O SER D 44 -12.646 0.619 -28.203 1.00 32.13 O +ATOM 3612 CB SER D 44 -10.139 -0.585 -28.237 1.00 42.87 C +ATOM 3613 OG SER D 44 -10.504 -1.572 -27.556 1.00 44.29 O +ATOM 3614 N PHE D 45 -12.328 1.230 -26.297 1.00 27.34 N +ATOM 3615 CA PHE D 45 -13.753 1.140 -25.852 1.00 24.93 C +ATOM 3616 C PHE D 45 -14.575 2.593 -26.282 1.00 23.30 C +ATOM 3617 O PHE D 45 -15.815 2.187 -25.861 1.00 31.71 O +ATOM 3618 CB PHE D 45 -13.703 0.919 -24.328 1.00 26.07 C +ATOM 3619 CG PHE D 45 -13.645 -0.527 -24.075 1.00 19.10 C +ATOM 3620 CD1 PHE D 45 -14.209 -0.901 -22.815 1.00 43.96 C +ATOM 3621 CD2 PHE D 45 -13.155 -1.495 -24.645 1.00 26.17 C +ATOM 3622 CE1 PHE D 45 -14.066 -2.469 -22.506 1.00 29.49 C +ATOM 3623 CE2 PHE D 45 -12.912 -2.782 -24.307 1.00 32.75 C +ATOM 3624 CZ PHE D 45 -13.459 -3.397 -23.316 1.00 28.04 C +ATOM 3625 N GLY D 46 -14.104 3.279 -26.525 1.00 35.08 N +ATOM 3626 CA GLY D 46 -14.935 4.262 -26.788 1.00 34.51 C +ATOM 3627 C GLY D 46 -15.024 5.841 -25.884 1.00 32.00 C +ATOM 3628 O GLY D 46 -13.703 5.710 -25.436 1.00 42.65 O +ATOM 3629 N ASP D 47 -16.270 6.088 -25.501 1.00 33.75 N +ATOM 3630 CA ASP D 47 -15.315 7.928 -25.257 1.00 43.29 C +ATOM 3631 C ASP D 47 -15.918 7.002 -23.097 1.00 24.69 C +ATOM 3632 O ASP D 47 -17.090 6.340 -23.091 1.00 33.08 O +ATOM 3633 CB ASP D 47 -17.246 8.111 -25.348 1.00 48.49 C +ATOM 3634 CG ASP D 47 -17.316 9.636 -24.481 1.00 50.77 C +ATOM 3635 OD1 ASP D 47 -18.624 9.821 -24.553 1.00 57.75 O +ATOM 3636 OD2 ASP D 47 -16.233 10.163 -24.247 1.00 45.03 O +ATOM 3637 N LEU D 48 -14.887 7.498 -22.782 1.00 25.73 N +ATOM 3638 CA LEU D 48 -14.700 7.013 -21.145 1.00 29.97 C +ATOM 3639 C LEU D 48 -14.723 8.417 -20.213 1.00 32.06 C +ATOM 3640 O LEU D 48 -13.912 8.444 -19.219 1.00 36.43 O +ATOM 3641 CB LEU D 48 -13.472 6.468 -21.109 1.00 41.80 C +ATOM 3642 CG LEU D 48 -13.862 5.004 -21.634 1.00 22.03 C +ATOM 3643 CD1 LEU D 48 -12.363 4.146 -21.342 1.00 37.56 C +ATOM 3644 CD2 LEU D 48 -15.085 4.189 -21.243 1.00 29.67 C +ATOM 3645 N SER D 49 -15.191 9.523 -21.130 1.00 38.40 N +ATOM 3646 CA SER D 49 -14.387 10.788 -20.677 1.00 43.30 C +ATOM 3647 C SER D 49 -15.473 11.721 -19.486 1.00 46.97 C +ATOM 3648 O SER D 49 -14.763 12.145 -18.356 1.00 46.32 O +ATOM 3649 CB SER D 49 -14.644 11.939 -21.771 1.00 47.25 C +ATOM 3650 OG SER D 49 -16.017 12.123 -22.081 1.00 49.74 O +ATOM 3651 N THR D 50 -16.621 11.041 -19.530 1.00 43.91 N +ATOM 3652 CA THR D 50 -16.855 11.313 -17.860 1.00 36.95 C +ATOM 3653 C THR D 50 -18.023 10.172 -17.341 1.00 36.10 C +ATOM 3654 O THR D 50 -18.171 9.157 -18.076 1.00 28.99 O +ATOM 3655 CB THR D 50 -18.590 12.293 -18.547 1.00 37.26 C +ATOM 3656 OG1 THR D 50 -19.750 11.618 -19.297 1.00 36.38 O +ATOM 3657 CG2 THR D 50 -18.025 13.508 -19.178 1.00 56.40 C +ATOM 3658 N PRO D 51 -18.501 10.284 -16.193 1.00 37.42 N +ATOM 3659 CA PRO D 51 -19.225 9.303 -15.560 1.00 32.59 C +ATOM 3660 C PRO D 51 -20.269 8.625 -16.174 1.00 29.25 C +ATOM 3661 O PRO D 51 -20.632 7.313 -16.333 1.00 26.15 O +ATOM 3662 CB PRO D 51 -19.687 9.933 -14.153 1.00 37.41 C +ATOM 3663 CG PRO D 51 -18.587 10.776 -13.939 1.00 36.57 C +ATOM 3664 CD PRO D 51 -18.147 11.586 -15.357 1.00 42.54 C +ATOM 3665 N ASP D 52 -21.166 9.545 -16.896 1.00 30.65 N +ATOM 3666 CA ASP D 52 -22.575 8.738 -17.587 1.00 39.40 C +ATOM 3667 C ASP D 52 -21.861 8.056 -18.864 1.00 56.69 C +ATOM 3668 O ASP D 52 -22.611 7.193 -19.113 1.00 40.69 O +ATOM 3669 CB ASP D 52 -23.192 10.048 -17.807 1.00 43.19 C +ATOM 3670 CG ASP D 52 -24.003 11.080 -16.646 1.00 63.04 C +ATOM 3671 OD1 ASP D 52 -23.975 10.324 -15.803 1.00 49.71 O +ATOM 3672 OD2 ASP D 52 -21.902 12.263 -16.248 1.00 60.40 O +ATOM 3673 N ALA D 53 -21.035 8.713 -19.489 1.00 26.05 N +ATOM 3674 CA ALA D 53 -20.460 8.256 -20.648 1.00 33.75 C +ATOM 3675 C ALA D 53 -19.850 6.612 -20.478 1.00 42.76 C +ATOM 3676 O ALA D 53 -20.052 5.785 -20.744 1.00 38.58 O +ATOM 3677 CB ALA D 53 -19.424 8.739 -21.252 1.00 40.18 C +ATOM 3678 N VAL D 54 -18.829 6.696 -19.306 1.00 27.10 N +ATOM 3679 CA VAL D 54 -18.358 5.224 -18.836 1.00 25.12 C +ATOM 3680 C VAL D 54 -19.446 4.410 -18.467 1.00 26.50 C +ATOM 3681 O VAL D 54 -19.614 3.128 -18.953 1.00 24.76 O +ATOM 3682 CB VAL D 54 -17.388 5.607 -17.705 1.00 26.67 C +ATOM 3683 CG1 VAL D 54 -17.066 4.042 -17.246 1.00 25.19 C +ATOM 3684 CG2 VAL D 54 -16.359 6.289 -17.975 1.00 31.48 C +ATOM 3685 N MET D 55 -20.628 4.739 -17.700 1.00 25.87 N +ATOM 3686 CA MET D 55 -21.589 3.767 -17.229 1.00 29.84 C +ATOM 3687 C MET D 55 -22.865 3.307 -18.556 1.00 35.52 C +ATOM 3688 O MET D 55 -23.112 2.208 -18.285 1.00 32.07 O +ATOM 3689 CB MET D 55 -22.456 4.472 -15.982 1.00 26.28 C +ATOM 3690 CG MET D 55 -21.631 4.626 -15.056 1.00 36.16 C +ATOM 3691 SD MET D 55 -20.389 3.558 -14.111 1.00 25.36 S +ATOM 3692 CE MET D 55 -21.479 2.431 -13.702 1.00 19.21 C +ATOM 3693 N GLY D 56 -22.639 4.442 -19.311 1.00 30.97 N +ATOM 3694 CA GLY D 56 -23.658 3.737 -20.126 1.00 35.09 C +ATOM 3695 C GLY D 56 -22.967 3.067 -21.283 1.00 44.75 C +ATOM 3696 O GLY D 56 -23.331 2.815 -22.514 1.00 34.49 O +ATOM 3697 N ASN D 57 -21.558 3.094 -21.617 1.00 25.90 N +ATOM 3698 CA ASN D 57 -20.747 2.578 -22.658 1.00 29.86 C +ATOM 3699 C ASN D 57 -21.034 1.130 -22.652 1.00 26.15 C +ATOM 3700 O ASN D 57 -20.989 0.128 -21.968 1.00 26.55 O +ATOM 3701 CB ASN D 57 -19.324 2.902 -22.444 1.00 30.42 C +ATOM 3702 CG ASN D 57 -18.502 2.332 -23.503 1.00 23.49 C +ATOM 3703 OD1 ASN D 57 -18.423 1.194 -24.009 1.00 31.02 O +ATOM 3704 ND2 ASN D 57 -17.712 3.179 -23.808 1.00 27.30 N +ATOM 3705 N PRO D 58 -21.467 0.671 -23.926 1.00 29.25 N +ATOM 3706 CA PRO D 58 -21.926 -0.726 -24.096 1.00 25.97 C +ATOM 3707 C PRO D 58 -20.503 -1.629 -24.124 1.00 16.05 C +ATOM 3708 O PRO D 58 -20.837 -2.940 -23.655 1.00 24.61 O +ATOM 3709 CB PRO D 58 -22.522 -0.927 -25.620 1.00 33.18 C +ATOM 3710 CG PRO D 58 -21.947 0.977 -25.418 1.00 59.49 C +ATOM 3711 CD PRO D 58 -21.892 1.180 -25.502 1.00 43.36 C +ATOM 3712 N LYS D 59 -19.460 -1.283 -24.501 1.00 21.03 N +ATOM 3713 CA LYS D 59 -18.361 -2.042 -24.450 1.00 25.38 C +ATOM 3714 C LYS D 59 -17.715 -2.407 -22.856 1.00 17.84 C +ATOM 3715 O LYS D 59 -17.308 -3.569 -22.731 1.00 21.39 O +ATOM 3716 CB LYS D 59 -17.227 -1.661 -25.270 1.00 32.15 C +ATOM 3717 CG LYS D 59 -17.383 -1.768 -26.732 1.00 48.59 C +ATOM 3718 CD LYS D 59 -16.823 -1.145 -27.228 1.00 53.12 C +ATOM 3719 CE LYS D 59 -15.877 -1.703 -28.754 1.00 53.54 C +ATOM 3720 NZ LYS D 59 -16.728 -0.847 -29.838 1.00 62.98 N +ATOM 3721 N VAL D 60 -18.099 -1.250 -22.201 1.00 18.98 N +ATOM 3722 CA VAL D 60 -17.893 -1.490 -20.566 1.00 19.06 C +ATOM 3723 C VAL D 60 -18.582 -2.535 -20.118 1.00 17.34 C +ATOM 3724 O VAL D 60 -18.311 -3.436 -19.262 1.00 23.46 O +ATOM 3725 CB VAL D 60 -17.740 -0.068 -19.973 1.00 21.26 C +ATOM 3726 CG1 VAL D 60 -17.894 -0.452 -18.381 1.00 33.14 C +ATOM 3727 CG2 VAL D 60 -16.838 0.852 -20.547 1.00 22.06 C +ATOM 3728 N LYS D 61 -20.037 -2.374 -20.306 1.00 22.59 N +ATOM 3729 CA LYS D 61 -21.055 -3.383 -19.935 1.00 26.15 C +ATOM 3730 C LYS D 61 -20.810 -4.741 -20.319 1.00 17.30 C +ATOM 3731 O LYS D 61 -20.683 -5.728 -19.595 1.00 21.45 O +ATOM 3732 CB LYS D 61 -22.507 -2.996 -20.257 1.00 26.85 C +ATOM 3733 CG LYS D 61 -22.914 -1.601 -19.668 1.00 38.21 C +ATOM 3734 CD LYS D 61 -23.980 -1.298 -20.293 1.00 63.66 C +ATOM 3735 CE LYS D 61 -25.073 -0.202 -19.530 1.00 68.06 C +ATOM 3736 NZ LYS D 61 -26.116 0.022 -20.150 1.00 60.84 N +ATOM 3737 N ALA D 62 -20.349 -4.906 -21.599 1.00 19.16 N +ATOM 3738 CA ALA D 62 -20.005 -6.284 -22.177 1.00 20.58 C +ATOM 3739 C ALA D 62 -18.862 -7.045 -21.486 1.00 20.27 C +ATOM 3740 O ALA D 62 -18.872 -8.142 -21.107 1.00 20.37 O +ATOM 3741 CB ALA D 62 -19.803 -6.090 -23.619 1.00 22.88 C +ATOM 3742 N HIS D 63 -17.847 -6.087 -21.291 1.00 19.01 N +ATOM 3743 CA HIS D 63 -16.655 -6.703 -20.657 1.00 22.19 C +ATOM 3744 C HIS D 63 -16.866 -6.900 -19.133 1.00 18.77 C +ATOM 3745 O HIS D 63 -16.263 -7.930 -18.702 1.00 19.91 O +ATOM 3746 CB HIS D 63 -15.613 -5.996 -20.822 1.00 33.38 C +ATOM 3747 CG HIS D 63 -13.969 -6.285 -20.598 1.00 22.34 C +ATOM 3748 ND1 HIS D 63 -13.645 -7.369 -21.205 1.00 25.81 N +ATOM 3749 CD2 HIS D 63 -13.423 -5.898 -19.324 1.00 33.81 C +ATOM 3750 CE1 HIS D 63 -12.413 -7.623 -20.166 1.00 24.99 C +ATOM 3751 NE2 HIS D 63 -12.303 -6.521 -19.735 1.00 32.42 N +ATOM 3752 N GLY D 64 -17.554 -5.957 -18.637 1.00 15.38 N +ATOM 3753 CA GLY D 64 -17.922 -6.237 -17.300 1.00 18.66 C +ATOM 3754 C GLY D 64 -18.656 -7.558 -16.822 1.00 23.30 C +ATOM 3755 O GLY D 64 -18.361 -8.374 -16.052 1.00 21.27 O +ATOM 3756 N LYS D 65 -19.546 -7.946 -17.963 1.00 22.12 N +ATOM 3757 CA LYS D 65 -20.149 -9.350 -17.810 1.00 26.40 C +ATOM 3758 C LYS D 65 -19.206 -10.475 -18.054 1.00 25.29 C +ATOM 3759 O LYS D 65 -19.376 -11.449 -17.320 1.00 24.58 O +ATOM 3760 CB LYS D 65 -21.237 -9.249 -19.016 1.00 42.10 C +ATOM 3761 CG LYS D 65 -21.741 -10.662 -18.763 1.00 41.04 C +ATOM 3762 CD LYS D 65 -22.779 -10.191 -20.722 1.00 41.66 C +ATOM 3763 CE LYS D 65 -22.954 -12.381 -20.558 1.00 58.61 C +ATOM 3764 NZ LYS D 65 -24.294 -12.168 -21.421 1.00 49.59 N +ATOM 3765 N LYS D 66 -18.192 -10.318 -18.949 1.00 22.59 N +ATOM 3766 CA LYS D 66 -17.187 -11.342 -19.305 1.00 23.91 C +ATOM 3767 C LYS D 66 -16.648 -11.569 -17.853 1.00 25.32 C +ATOM 3768 O LYS D 66 -16.190 -12.713 -17.500 1.00 23.23 O +ATOM 3769 CB LYS D 66 -16.360 -10.927 -20.397 1.00 18.18 C +ATOM 3770 CG LYS D 66 -15.506 -11.226 -21.025 1.00 49.93 C +ATOM 3771 CD LYS D 66 -15.452 -11.136 -23.086 1.00 31.44 C +ATOM 3772 CE LYS D 66 -14.594 -13.236 -23.101 1.00 50.83 C +ATOM 3773 NZ LYS D 66 -13.105 -13.073 -24.350 1.00 53.30 N +ATOM 3774 N VAL D 67 -16.012 -10.379 -17.238 1.00 17.89 N +ATOM 3775 CA VAL D 67 -15.129 -10.761 -16.039 1.00 17.07 C +ATOM 3776 C VAL D 67 -15.858 -11.174 -14.995 1.00 11.37 C +ATOM 3777 O VAL D 67 -15.392 -12.090 -14.267 1.00 18.26 O +ATOM 3778 CB VAL D 67 -14.485 -9.126 -15.950 1.00 18.16 C +ATOM 3779 CG1 VAL D 67 -14.204 -9.183 -14.372 1.00 22.61 C +ATOM 3780 CG2 VAL D 67 -13.683 -8.637 -17.078 1.00 19.30 C +ATOM 3781 N LEU D 68 -17.081 -10.772 -14.714 1.00 12.24 N +ATOM 3782 CA LEU D 68 -17.709 -11.246 -13.544 1.00 14.83 C +ATOM 3783 C LEU D 68 -18.294 -12.710 -13.662 1.00 13.25 C +ATOM 3784 O LEU D 68 -18.430 -13.575 -12.845 1.00 18.25 O +ATOM 3785 CB LEU D 68 -18.960 -10.522 -12.977 1.00 23.35 C +ATOM 3786 CG LEU D 68 -19.065 -9.950 -11.782 1.00 32.52 C +ATOM 3787 CD1 LEU D 68 -18.211 -10.021 -10.888 1.00 40.78 C +ATOM 3788 CD2 LEU D 68 -20.119 -9.201 -11.516 1.00 39.22 C +ATOM 3789 N GLY D 69 -18.532 -13.001 -15.044 1.00 22.38 N +ATOM 3790 CA GLY D 69 -18.677 -14.387 -15.364 1.00 27.48 C +ATOM 3791 C GLY D 69 -17.639 -15.482 -15.016 1.00 17.57 C +ATOM 3792 O GLY D 69 -17.849 -16.416 -14.366 1.00 21.01 O +ATOM 3793 N ALA D 70 -16.381 -14.966 -15.333 1.00 17.61 N +ATOM 3794 CA ALA D 70 -15.237 -15.816 -14.969 1.00 17.42 C +ATOM 3795 C ALA D 70 -15.098 -15.818 -13.537 1.00 19.59 C +ATOM 3796 O ALA D 70 -14.642 -16.873 -12.761 1.00 18.72 O +ATOM 3797 CB ALA D 70 -14.109 -15.221 -15.702 1.00 18.83 C +ATOM 3798 N PHE D 71 -15.369 -14.689 -12.922 1.00 18.97 N +ATOM 3799 CA PHE D 71 -15.352 -14.546 -11.295 1.00 24.55 C +ATOM 3800 C PHE D 71 -16.405 -15.564 -10.716 1.00 22.73 C +ATOM 3801 O PHE D 71 -15.988 -16.296 -9.916 1.00 26.00 O +ATOM 3802 CB PHE D 71 -15.526 -13.076 -10.943 1.00 18.78 C +ATOM 3803 CG PHE D 71 -15.587 -12.889 -9.418 1.00 15.63 C +ATOM 3804 CD1 PHE D 71 -14.330 -12.356 -8.913 1.00 23.81 C +ATOM 3805 CD2 PHE D 71 -16.955 -13.108 -8.941 1.00 34.86 C +ATOM 3806 CE1 PHE D 71 -14.431 -12.324 -7.507 1.00 19.91 C +ATOM 3807 CE2 PHE D 71 -16.645 -13.000 -7.472 1.00 36.36 C +ATOM 3808 CZ PHE D 71 -15.423 -12.584 -6.796 1.00 26.08 C +ATOM 3809 N SER D 72 -17.526 -15.632 -11.448 1.00 19.94 N +ATOM 3810 CA SER D 72 -18.560 -16.484 -11.205 1.00 23.38 C +ATOM 3811 C SER D 72 -18.098 -17.836 -10.814 1.00 24.72 C +ATOM 3812 O SER D 72 -18.305 -18.802 -9.908 1.00 26.53 O +ATOM 3813 CB SER D 72 -20.212 -16.588 -11.400 1.00 29.23 C +ATOM 3814 OG SER D 72 -20.268 -15.282 -11.624 1.00 41.11 O +ATOM 3815 N ASP D 73 -17.601 -18.307 -12.047 1.00 28.33 N +ATOM 3816 CA ASP D 73 -16.810 -19.464 -12.087 1.00 41.54 C +ATOM 3817 C ASP D 73 -16.106 -20.105 -11.342 1.00 28.94 C +ATOM 3818 O ASP D 73 -15.997 -21.061 -10.645 1.00 34.21 O +ATOM 3819 CB ASP D 73 -16.190 -20.100 -13.720 1.00 46.96 C +ATOM 3820 CG ASP D 73 -17.426 -20.027 -14.053 1.00 54.92 C +ATOM 3821 OD1 ASP D 73 -18.701 -19.481 -14.810 1.00 44.49 O +ATOM 3822 OD2 ASP D 73 -16.811 -19.333 -16.112 1.00 50.27 O +ATOM 3823 N GLY D 74 -15.211 -19.059 -10.501 1.00 26.75 N +ATOM 3824 CA GLY D 74 -14.376 -19.390 -9.473 1.00 22.69 C +ATOM 3825 C GLY D 74 -14.851 -19.537 -8.039 1.00 23.14 C +ATOM 3826 O GLY D 74 -14.419 -20.191 -7.094 1.00 29.20 O +ATOM 3827 N LEU D 75 -16.177 -18.924 -8.005 1.00 21.18 N +ATOM 3828 CA LEU D 75 -16.870 -19.385 -6.815 1.00 34.17 C +ATOM 3829 C LEU D 75 -17.117 -20.780 -6.565 1.00 37.46 C +ATOM 3830 O LEU D 75 -17.563 -21.063 -5.534 1.00 40.90 O +ATOM 3831 CB LEU D 75 -18.078 -18.207 -6.714 1.00 36.63 C +ATOM 3832 CG LEU D 75 -17.957 -16.908 -6.209 1.00 28.96 C +ATOM 3833 CD1 LEU D 75 -16.674 -16.783 -5.652 1.00 54.84 C +ATOM 3834 CD2 LEU D 75 -18.450 -15.831 -6.570 1.00 41.72 C +ATOM 3835 N ALA D 76 -17.372 -21.329 -7.689 1.00 36.74 N +ATOM 3836 CA ALA D 76 -17.490 -23.239 -8.009 1.00 46.27 C +ATOM 3837 C ALA D 76 -16.460 -23.394 -7.753 1.00 39.68 C +ATOM 3838 O ALA D 76 -16.371 -24.793 -7.251 1.00 39.55 O +ATOM 3839 CB ALA D 76 -18.034 -22.779 -9.158 1.00 52.59 C +ATOM 3840 N HIS D 77 -15.221 -22.931 -7.252 1.00 34.88 N +ATOM 3841 CA HIS D 77 -14.175 -23.705 -7.014 1.00 37.75 C +ATOM 3842 C HIS D 77 -12.911 -22.947 -6.253 1.00 36.30 C +ATOM 3843 O HIS D 77 -11.715 -22.807 -6.207 1.00 30.91 O +ATOM 3844 CB HIS D 77 -13.016 -23.968 -8.303 1.00 35.95 C +ATOM 3845 CG HIS D 77 -13.662 -24.672 -9.381 1.00 39.15 C +ATOM 3846 ND1 HIS D 77 -14.327 -23.756 -10.232 1.00 58.22 N +ATOM 3847 CD2 HIS D 77 -13.455 -26.062 -9.566 1.00 48.66 C +ATOM 3848 CE1 HIS D 77 -15.214 -25.034 -11.337 1.00 49.77 C +ATOM 3849 NE2 HIS D 77 -14.945 -25.798 -10.683 1.00 36.55 N +ATOM 3850 N LEU D 78 -13.652 -22.590 -4.941 1.00 30.38 N +ATOM 3851 CA LEU D 78 -13.049 -22.225 -3.904 1.00 35.53 C +ATOM 3852 C LEU D 78 -11.853 -22.307 -3.241 1.00 31.52 C +ATOM 3853 O LEU D 78 -11.095 -21.930 -2.681 1.00 30.87 O +ATOM 3854 CB LEU D 78 -14.166 -21.218 -2.929 1.00 35.71 C +ATOM 3855 CG LEU D 78 -14.517 -19.696 -3.089 1.00 42.09 C +ATOM 3856 CD1 LEU D 78 -16.000 -19.812 -2.269 1.00 40.33 C +ATOM 3857 CD2 LEU D 78 -14.206 -18.936 -3.409 1.00 43.79 C +ATOM 3858 N ASP D 79 -11.841 -23.798 -3.366 1.00 27.09 N +ATOM 3859 CA ASP D 79 -10.671 -24.163 -2.603 1.00 39.93 C +ATOM 3860 C ASP D 79 -9.351 -24.818 -3.691 1.00 38.31 C +ATOM 3861 O ASP D 79 -8.220 -24.950 -3.380 1.00 37.24 O +ATOM 3862 CB ASP D 79 -11.204 -25.807 -2.720 1.00 49.19 C +ATOM 3863 CG ASP D 79 -12.348 -25.806 -2.280 1.00 60.14 C +ATOM 3864 OD1 ASP D 79 -12.747 -27.563 -1.436 1.00 58.54 O +ATOM 3865 OD2 ASP D 79 -11.720 -25.378 -0.450 1.00 49.76 O +ATOM 3866 N ASN D 80 -9.928 -24.165 -4.813 1.00 33.30 N +ATOM 3867 CA ASN D 80 -8.432 -24.074 -5.725 1.00 41.52 C +ATOM 3868 C ASN D 80 -8.757 -22.972 -7.024 1.00 29.72 C +ATOM 3869 O ASN D 80 -8.410 -23.186 -8.009 1.00 26.63 O +ATOM 3870 CB ASN D 80 -8.335 -25.027 -6.387 1.00 65.88 C +ATOM 3871 CG ASN D 80 -8.226 -26.006 -7.178 1.00 79.70 C +ATOM 3872 OD1 ASN D 80 -6.646 -26.141 -7.665 1.00 64.12 O +ATOM 3873 ND2 ASN D 80 -9.445 -26.052 -7.340 1.00 80.04 N +ATOM 3874 N LEU D 81 -8.454 -21.884 -6.206 1.00 24.36 N +ATOM 3875 CA LEU D 81 -8.539 -20.715 -7.081 1.00 25.83 C +ATOM 3876 C LEU D 81 -7.273 -20.637 -8.041 1.00 31.94 C +ATOM 3877 O LEU D 81 -7.415 -20.270 -9.214 1.00 25.17 O +ATOM 3878 CB LEU D 81 -8.579 -19.629 -6.126 1.00 20.37 C +ATOM 3879 CG LEU D 81 -9.997 -19.259 -5.589 1.00 25.65 C +ATOM 3880 CD1 LEU D 81 -9.956 -18.414 -4.674 1.00 40.59 C +ATOM 3881 CD2 LEU D 81 -11.103 -19.225 -6.396 1.00 23.30 C +ATOM 3882 N LYS D 82 -6.051 -20.893 -7.415 1.00 30.20 N +ATOM 3883 CA LYS D 82 -4.933 -20.852 -8.394 1.00 28.24 C +ATOM 3884 C LYS D 82 -5.124 -21.707 -9.528 1.00 33.91 C +ATOM 3885 O LYS D 82 -4.821 -21.459 -10.648 1.00 25.48 O +ATOM 3886 CB LYS D 82 -3.611 -21.239 -7.521 1.00 33.73 C +ATOM 3887 CG LYS D 82 -3.123 -20.210 -6.921 1.00 40.61 C +ATOM 3888 CD LYS D 82 -1.453 -20.533 -6.100 1.00 64.29 C +ATOM 3889 CE LYS D 82 -2.245 -18.592 -4.901 1.00 50.61 C +ATOM 3890 NZ LYS D 82 -1.640 -20.210 -4.012 1.00 57.77 N +ATOM 3891 N GLY D 83 -5.684 -23.133 -9.543 1.00 30.21 N +ATOM 3892 CA GLY D 83 -5.556 -24.039 -10.631 1.00 23.41 C +ATOM 3893 C GLY D 83 -6.710 -23.708 -11.373 1.00 31.79 C +ATOM 3894 O GLY D 83 -6.545 -23.384 -12.827 1.00 27.38 O +ATOM 3895 N THR D 84 -7.929 -22.850 -10.943 1.00 27.06 N +ATOM 3896 CA THR D 84 -8.896 -22.475 -11.769 1.00 31.17 C +ATOM 3897 C THR D 84 -8.254 -21.368 -12.862 1.00 35.08 C +ATOM 3898 O THR D 84 -9.023 -21.163 -13.732 1.00 26.93 O +ATOM 3899 CB THR D 84 -10.186 -21.934 -10.990 1.00 26.68 C +ATOM 3900 OG1 THR D 84 -10.450 -22.939 -10.341 1.00 41.82 O +ATOM 3901 CG2 THR D 84 -11.436 -21.350 -11.615 1.00 32.36 C +ATOM 3902 N PHE D 85 -7.713 -20.405 -12.026 1.00 23.78 N +ATOM 3903 CA PHE D 85 -7.538 -18.984 -12.806 1.00 17.94 C +ATOM 3904 C PHE D 85 -6.138 -19.115 -13.564 1.00 20.32 C +ATOM 3905 O PHE D 85 -5.528 -18.116 -14.137 1.00 18.46 O +ATOM 3906 CB PHE D 85 -7.425 -17.913 -11.819 1.00 16.82 C +ATOM 3907 CG PHE D 85 -8.885 -17.567 -11.680 1.00 15.41 C +ATOM 3908 CD1 PHE D 85 -9.422 -17.861 -10.346 1.00 21.43 C +ATOM 3909 CD2 PHE D 85 -9.605 -16.833 -12.552 1.00 29.52 C +ATOM 3910 CE1 PHE D 85 -10.820 -17.512 -9.993 1.00 27.35 C +ATOM 3911 CE2 PHE D 85 -11.060 -16.678 -12.198 1.00 23.38 C +ATOM 3912 CZ PHE D 85 -11.788 -16.979 -10.988 1.00 20.96 C +ATOM 3913 N ALA D 86 -5.306 -20.190 -13.510 1.00 16.78 N +ATOM 3914 CA ALA D 86 -3.786 -20.129 -13.990 1.00 21.66 C +ATOM 3915 C ALA D 86 -3.859 -19.751 -15.592 1.00 13.70 C +ATOM 3916 O ALA D 86 -2.977 -18.900 -15.942 1.00 16.83 O +ATOM 3917 CB ALA D 86 -3.276 -21.717 -14.150 1.00 23.60 C +ATOM 3918 N THR D 87 -4.799 -20.235 -16.291 1.00 17.09 N +ATOM 3919 CA THR D 87 -4.700 -19.770 -17.696 1.00 15.85 C +ATOM 3920 C THR D 87 -4.913 -18.223 -17.934 1.00 17.61 C +ATOM 3921 O THR D 87 -4.226 -17.589 -18.665 1.00 21.97 O +ATOM 3922 CB THR D 87 -5.803 -20.551 -18.552 1.00 23.34 C +ATOM 3923 OG1 THR D 87 -5.495 -21.943 -18.388 1.00 26.37 O +ATOM 3924 CG2 THR D 87 -5.595 -20.344 -19.930 1.00 26.08 C +ATOM 3925 N LEU D 88 -5.980 -17.807 -17.359 1.00 19.60 N +ATOM 3926 CA LEU D 88 -6.271 -16.457 -17.415 1.00 18.18 C +ATOM 3927 C LEU D 88 -5.187 -15.518 -16.684 1.00 15.66 C +ATOM 3928 O LEU D 88 -4.841 -14.368 -17.168 1.00 16.54 O +ATOM 3929 CB LEU D 88 -7.631 -16.058 -16.725 1.00 24.93 C +ATOM 3930 CG LEU D 88 -8.806 -16.413 -17.604 1.00 29.68 C +ATOM 3931 CD1 LEU D 88 -9.913 -16.362 -16.626 1.00 33.11 C +ATOM 3932 CD2 LEU D 88 -8.780 -15.785 -18.779 1.00 21.96 C +ATOM 3933 N SER D 89 -4.550 -16.190 -15.577 1.00 21.20 N +ATOM 3934 CA SER D 89 -3.384 -15.545 -14.950 1.00 17.78 C +ATOM 3935 C SER D 89 -2.295 -15.067 -15.986 1.00 16.70 C +ATOM 3936 O SER D 89 -1.619 -14.055 -16.257 1.00 15.86 O +ATOM 3937 CB SER D 89 -2.725 -16.272 -13.880 1.00 19.29 C +ATOM 3938 OG SER D 89 -1.733 -15.529 -13.240 1.00 14.95 O +ATOM 3939 N GLU D 90 -1.806 -16.218 -16.719 1.00 15.58 N +ATOM 3940 CA GLU D 90 -0.961 -16.101 -17.900 1.00 21.65 C +ATOM 3941 C GLU D 90 -1.319 -15.129 -19.030 1.00 13.57 C +ATOM 3942 O GLU D 90 -0.576 -14.403 -19.451 1.00 18.38 O +ATOM 3943 CB GLU D 90 -0.700 -17.640 -18.253 1.00 19.08 C +ATOM 3944 CG GLU D 90 0.585 -17.390 -19.009 1.00 38.09 C +ATOM 3945 CD GLU D 90 0.916 -19.788 -19.196 1.00 62.85 C +ATOM 3946 OE1 GLU D 90 0.495 -19.279 -20.696 1.00 54.38 O +ATOM 3947 OE2 GLU D 90 -0.172 -20.134 -18.632 1.00 49.69 O +ATOM 3948 N LEU D 91 -2.614 -15.260 -19.279 1.00 12.64 N +ATOM 3949 CA LEU D 91 -2.918 -14.282 -20.199 1.00 11.29 C +ATOM 3950 C LEU D 91 -2.769 -12.767 -19.975 1.00 14.82 C +ATOM 3951 O LEU D 91 -2.486 -11.814 -20.708 1.00 14.36 O +ATOM 3952 CB LEU D 91 -4.443 -14.616 -20.526 1.00 13.30 C +ATOM 3953 CG LEU D 91 -5.325 -13.643 -21.412 1.00 17.13 C +ATOM 3954 CD1 LEU D 91 -4.702 -13.618 -23.000 1.00 25.95 C +ATOM 3955 CD2 LEU D 91 -6.752 -13.787 -21.472 1.00 20.87 C +ATOM 3956 N HIS D 92 -3.278 -12.509 -18.598 1.00 14.55 N +ATOM 3957 CA HIS D 92 -3.429 -10.968 -18.356 1.00 18.41 C +ATOM 3958 C HIS D 92 -1.750 -10.659 -17.942 1.00 25.22 C +ATOM 3959 O HIS D 92 -1.542 -9.487 -18.276 1.00 15.09 O +ATOM 3960 CB HIS D 92 -3.870 -11.061 -16.956 1.00 16.94 C +ATOM 3961 CG HIS D 92 -5.443 -10.779 -17.044 1.00 14.87 C +ATOM 3962 ND1 HIS D 92 -6.226 -12.088 -17.324 1.00 14.65 N +ATOM 3963 CD2 HIS D 92 -6.494 -9.930 -17.027 1.00 12.93 C +ATOM 3964 CE1 HIS D 92 -7.513 -11.488 -17.344 1.00 12.97 C +ATOM 3965 NE2 HIS D 92 -7.794 -10.264 -17.456 1.00 18.10 N +ATOM 3966 N CYS D 93 -0.853 -11.610 -17.750 1.00 16.12 N +ATOM 3967 CA CYS D 93 0.671 -11.156 -17.799 1.00 16.35 C +ATOM 3968 C CYS D 93 1.184 -10.895 -19.303 1.00 18.55 C +ATOM 3969 O CYS D 93 1.616 -9.948 -19.471 1.00 17.22 O +ATOM 3970 CB CYS D 93 1.177 -12.201 -16.844 1.00 20.93 C +ATOM 3971 SG CYS D 93 3.106 -11.680 -16.838 1.00 18.90 S +ATOM 3972 N ASP D 94 1.071 -12.148 -19.853 1.00 14.32 N +ATOM 3973 CA ASP D 94 2.076 -12.170 -21.195 1.00 16.01 C +ATOM 3974 C ASP D 94 1.351 -11.461 -22.242 1.00 19.68 C +ATOM 3975 O ASP D 94 1.981 -11.016 -23.089 1.00 27.14 O +ATOM 3976 CB ASP D 94 2.163 -13.661 -21.334 1.00 20.44 C +ATOM 3977 CG ASP D 94 3.220 -14.533 -20.409 1.00 36.43 C +ATOM 3978 OD1 ASP D 94 3.523 -13.728 -19.788 1.00 32.86 O +ATOM 3979 OD2 ASP D 94 2.735 -15.960 -20.657 1.00 40.09 O +ATOM 3980 N LYS D 95 0.079 -11.509 -22.378 1.00 14.90 N +ATOM 3981 CA LYS D 95 -0.657 -10.830 -23.618 1.00 16.76 C +ATOM 3982 C LYS D 95 -1.037 -9.542 -23.369 1.00 18.82 C +ATOM 3983 O LYS D 95 -1.025 -8.517 -23.887 1.00 19.72 O +ATOM 3984 CB LYS D 95 -1.739 -11.719 -24.171 1.00 24.57 C +ATOM 3985 CG LYS D 95 -1.405 -13.254 -24.270 1.00 49.61 C +ATOM 3986 CD LYS D 95 0.033 -12.822 -25.830 1.00 60.17 C +ATOM 3987 CE LYS D 95 0.875 -13.698 -26.541 1.00 57.82 C +ATOM 3988 NZ LYS D 95 1.951 -12.652 -27.842 1.00 59.53 N +ATOM 3989 N LEU D 96 -1.816 -9.347 -21.943 1.00 16.80 N +ATOM 3990 CA LEU D 96 -2.489 -8.095 -21.711 1.00 16.58 C +ATOM 3991 C LEU D 96 -1.557 -6.998 -20.981 1.00 16.01 C +ATOM 3992 O LEU D 96 -2.025 -5.870 -20.986 1.00 15.73 O +ATOM 3993 CB LEU D 96 -3.813 -8.447 -21.040 1.00 21.01 C +ATOM 3994 CG LEU D 96 -4.799 -9.421 -21.657 1.00 22.06 C +ATOM 3995 CD1 LEU D 96 -6.039 -9.748 -20.763 1.00 15.50 C +ATOM 3996 CD2 LEU D 96 -5.152 -8.823 -22.921 1.00 34.04 C +ATOM 3997 N HIS D 97 -0.781 -7.579 -20.217 1.00 18.03 N +ATOM 3998 CA HIS D 97 0.244 -6.637 -19.580 1.00 18.48 C +ATOM 3999 C HIS D 97 -0.432 -5.796 -18.443 1.00 13.60 C +ATOM 4000 O HIS D 97 -0.253 -4.620 -18.215 1.00 15.07 O +ATOM 4001 CB HIS D 97 0.990 -5.653 -20.400 1.00 24.24 C +ATOM 4002 CG HIS D 97 1.776 -6.391 -21.656 1.00 28.24 C +ATOM 4003 ND1 HIS D 97 2.554 -7.432 -21.385 1.00 26.25 N +ATOM 4004 CD2 HIS D 97 1.271 -6.244 -22.910 1.00 35.10 C +ATOM 4005 CE1 HIS D 97 3.136 -7.961 -22.703 1.00 25.85 C +ATOM 4006 NE2 HIS D 97 2.325 -7.208 -23.322 1.00 28.28 N +ATOM 4007 N VAL D 98 -1.455 -6.545 -17.703 1.00 15.21 N +ATOM 4008 CA VAL D 98 -2.210 -5.794 -16.736 1.00 14.55 C +ATOM 4009 C VAL D 98 -1.489 -5.841 -15.285 1.00 10.52 C +ATOM 4010 O VAL D 98 -1.368 -7.002 -14.827 1.00 11.77 O +ATOM 4011 CB VAL D 98 -3.549 -6.468 -16.502 1.00 15.30 C +ATOM 4012 CG1 VAL D 98 -4.339 -5.933 -15.325 1.00 15.30 C +ATOM 4013 CG2 VAL D 98 -4.285 -6.152 -17.968 1.00 17.14 C +ATOM 4014 N ASP D 99 -1.167 -4.730 -14.701 1.00 9.86 N +ATOM 4015 CA ASP D 99 -0.610 -4.765 -13.282 1.00 10.99 C +ATOM 4016 C ASP D 99 -1.652 -5.465 -12.445 1.00 12.34 C +ATOM 4017 O ASP D 99 -2.837 -4.921 -12.433 1.00 15.90 O +ATOM 4018 CB ASP D 99 -0.421 -3.334 -12.976 1.00 12.59 C +ATOM 4019 CG ASP D 99 0.231 -3.018 -11.481 1.00 12.64 C +ATOM 4020 OD1 ASP D 99 0.529 -1.770 -11.464 1.00 11.35 O +ATOM 4021 OD2 ASP D 99 0.421 -4.097 -10.818 1.00 14.04 O +ATOM 4022 N PRO D 100 -1.293 -6.422 -11.755 1.00 16.57 N +ATOM 4023 CA PRO D 100 -2.075 -7.130 -10.712 1.00 11.14 C +ATOM 4024 C PRO D 100 -2.767 -6.164 -9.672 1.00 11.03 C +ATOM 4025 O PRO D 100 -3.730 -6.728 -9.131 1.00 12.40 O +ATOM 4026 CB PRO D 100 -1.455 -8.509 -10.454 1.00 18.57 C +ATOM 4027 CG PRO D 100 -0.120 -8.351 -10.644 1.00 16.52 C +ATOM 4028 CD PRO D 100 0.008 -7.085 -11.678 1.00 15.61 C +ATOM 4029 N GLU D 101 -2.120 -5.022 -9.432 1.00 9.29 N +ATOM 4030 CA GLU D 101 -2.721 -4.184 -8.535 1.00 12.45 C +ATOM 4031 C GLU D 101 -4.150 -3.766 -8.894 1.00 20.07 C +ATOM 4032 O GLU D 101 -5.139 -3.640 -8.044 1.00 15.47 O +ATOM 4033 CB GLU D 101 -1.898 -2.971 -8.352 1.00 18.48 C +ATOM 4034 CG GLU D 101 -2.751 -1.912 -7.301 1.00 30.49 C +ATOM 4035 CD GLU D 101 -2.928 -2.595 -5.361 1.00 32.99 C +ATOM 4036 OE1 GLU D 101 -1.814 -3.251 -5.501 1.00 22.72 O +ATOM 4037 OE2 GLU D 101 -3.790 -1.433 -5.275 1.00 37.16 O +ATOM 4038 N ASN D 102 -4.416 -3.866 -10.222 1.00 14.86 N +ATOM 4039 CA ASN D 102 -5.827 -3.553 -10.820 1.00 14.38 C +ATOM 4040 C ASN D 102 -6.730 -4.706 -10.375 1.00 12.83 C +ATOM 4041 O ASN D 102 -8.073 -4.305 -10.051 1.00 15.98 O +ATOM 4042 CB ASN D 102 -5.825 -3.726 -12.202 1.00 15.85 C +ATOM 4043 CG ASN D 102 -5.178 -2.418 -12.728 1.00 20.86 C +ATOM 4044 OD1 ASN D 102 -5.594 -1.386 -12.707 1.00 17.49 O +ATOM 4045 ND2 ASN D 102 -3.900 -2.610 -13.401 1.00 22.52 N +ATOM 4046 N PHE D 103 -6.450 -5.902 -10.088 1.00 11.06 N +ATOM 4047 CA PHE D 103 -7.223 -7.062 -9.594 1.00 11.10 C +ATOM 4048 C PHE D 103 -7.838 -6.627 -8.138 1.00 14.83 C +ATOM 4049 O PHE D 103 -9.038 -6.926 -7.755 1.00 12.07 O +ATOM 4050 CB PHE D 103 -6.641 -8.378 -9.453 1.00 14.26 C +ATOM 4051 CG PHE D 103 -5.978 -8.685 -10.884 1.00 14.43 C +ATOM 4052 CD1 PHE D 103 -6.722 -8.442 -12.150 1.00 22.91 C +ATOM 4053 CD2 PHE D 103 -4.777 -9.418 -10.920 1.00 19.84 C +ATOM 4054 CE1 PHE D 103 -6.285 -8.812 -13.376 1.00 22.48 C +ATOM 4055 CE2 PHE D 103 -4.350 -9.752 -12.200 1.00 13.44 C +ATOM 4056 CZ PHE D 103 -4.988 -9.426 -13.435 1.00 16.91 C +ATOM 4057 N ARG D 104 -6.979 -6.041 -7.313 1.00 14.96 N +ATOM 4058 CA ARG D 104 -7.236 -5.640 -5.946 1.00 18.64 C +ATOM 4059 C ARG D 104 -8.352 -4.439 -5.984 1.00 17.76 C +ATOM 4060 O ARG D 104 -9.251 -4.482 -5.206 1.00 14.29 O +ATOM 4061 CB ARG D 104 -5.925 -5.205 -5.097 1.00 19.67 C +ATOM 4062 CG ARG D 104 -5.188 -6.366 -5.055 1.00 39.66 C +ATOM 4063 CD ARG D 104 -3.686 -6.042 -4.324 1.00 67.99 C +ATOM 4064 NE ARG D 104 -3.285 -7.833 -4.405 1.00 67.11 N +ATOM 4065 CZ ARG D 104 -0.829 -7.130 -4.074 1.00 80.12 C +ATOM 4066 NH1 ARG D 104 -1.228 -5.714 -3.904 1.00 77.56 N +ATOM 4067 NH2 ARG D 104 -1.024 -7.904 -3.149 1.00 80.12 N +ATOM 4068 N LEU D 105 -8.019 -3.490 -6.857 1.00 14.78 N +ATOM 4069 CA LEU D 105 -8.933 -2.377 -6.997 1.00 11.66 C +ATOM 4070 C LEU D 105 -10.366 -2.815 -7.384 1.00 13.52 C +ATOM 4071 O LEU D 105 -11.325 -2.484 -6.781 1.00 12.56 O +ATOM 4072 CB LEU D 105 -8.385 -1.463 -7.865 1.00 16.32 C +ATOM 4073 CG LEU D 105 -7.155 -0.533 -7.691 1.00 23.61 C +ATOM 4074 CD1 LEU D 105 -6.564 0.347 -8.601 1.00 25.65 C +ATOM 4075 CD2 LEU D 105 -7.175 -0.008 -6.272 1.00 30.28 C +ATOM 4076 N LEU D 106 -10.388 -3.731 -8.359 1.00 11.11 N +ATOM 4077 CA LEU D 106 -11.776 -4.169 -8.774 1.00 10.81 C +ATOM 4078 C LEU D 106 -12.425 -4.909 -7.735 1.00 7.04 C +ATOM 4079 O LEU D 106 -13.596 -4.860 -7.508 1.00 8.65 O +ATOM 4080 CB LEU D 106 -11.565 -5.136 -9.996 1.00 12.84 C +ATOM 4081 CG LEU D 106 -12.908 -5.591 -10.559 1.00 16.25 C +ATOM 4082 CD1 LEU D 106 -13.855 -4.506 -11.046 1.00 16.77 C +ATOM 4083 CD2 LEU D 106 -12.516 -6.548 -11.540 1.00 20.04 C +ATOM 4084 N GLY D 107 -11.735 -5.688 -6.939 1.00 12.52 N +ATOM 4085 CA GLY D 107 -12.179 -6.516 -5.777 1.00 16.15 C +ATOM 4086 C GLY D 107 -12.899 -5.574 -4.792 1.00 14.99 C +ATOM 4087 O GLY D 107 -14.015 -5.773 -4.332 1.00 12.81 O +ATOM 4088 N ASN D 108 -12.285 -4.436 -4.514 1.00 12.36 N +ATOM 4089 CA ASN D 108 -12.802 -3.491 -3.621 1.00 14.00 C +ATOM 4090 C ASN D 108 -13.963 -2.724 -4.098 1.00 11.43 C +ATOM 4091 O ASN D 108 -15.056 -2.507 -3.385 1.00 12.39 O +ATOM 4092 CB ASN D 108 -11.844 -2.454 -3.053 1.00 18.57 C +ATOM 4093 CG ASN D 108 -10.617 -3.293 -1.988 1.00 22.26 C +ATOM 4094 OD1 ASN D 108 -11.199 -4.293 -1.311 1.00 22.78 O +ATOM 4095 ND2 ASN D 108 -9.853 -2.344 -1.843 1.00 30.03 N +ATOM 4096 N VAL D 109 -13.924 -2.387 -5.385 1.00 10.09 N +ATOM 4097 CA VAL D 109 -15.064 -1.848 -6.032 1.00 8.21 C +ATOM 4098 C VAL D 109 -16.234 -2.783 -6.101 1.00 9.89 C +ATOM 4099 O VAL D 109 -17.335 -2.321 -5.728 1.00 11.76 O +ATOM 4100 CB VAL D 109 -14.656 -1.351 -7.492 1.00 11.59 C +ATOM 4101 CG1 VAL D 109 -15.861 -0.846 -8.320 1.00 17.96 C +ATOM 4102 CG2 VAL D 109 -13.771 -0.178 -7.377 1.00 17.98 C +ATOM 4103 N LEU D 110 -15.952 -4.083 -6.403 1.00 9.62 N +ATOM 4104 CA LEU D 110 -17.024 -5.059 -6.369 1.00 14.08 C +ATOM 4105 C LEU D 110 -17.831 -5.035 -5.141 1.00 11.97 C +ATOM 4106 O LEU D 110 -19.008 -5.257 -4.826 1.00 10.97 O +ATOM 4107 CB LEU D 110 -16.600 -6.309 -6.770 1.00 15.34 C +ATOM 4108 CG LEU D 110 -17.478 -7.458 -6.761 1.00 14.97 C +ATOM 4109 CD1 LEU D 110 -18.670 -7.282 -7.592 1.00 23.21 C +ATOM 4110 CD2 LEU D 110 -16.862 -8.829 -7.132 1.00 26.92 C +ATOM 4111 N VAL D 111 -16.932 -5.013 -3.909 1.00 14.50 N +ATOM 4112 CA VAL D 111 -17.557 -5.003 -2.482 1.00 11.82 C +ATOM 4113 C VAL D 111 -18.496 -3.835 -2.339 1.00 14.01 C +ATOM 4114 O VAL D 111 -19.560 -3.938 -1.746 1.00 12.03 O +ATOM 4115 CB VAL D 111 -16.468 -5.174 -1.423 1.00 12.62 C +ATOM 4116 CG1 VAL D 111 -17.105 -4.887 -0.077 1.00 15.85 C +ATOM 4117 CG2 VAL D 111 -15.845 -6.615 -1.505 1.00 10.77 C +ATOM 4118 N CYS D 112 -17.954 -2.598 -2.876 1.00 13.62 N +ATOM 4119 CA CYS D 112 -18.674 -1.428 -2.875 1.00 13.72 C +ATOM 4120 C CYS D 112 -20.245 -1.545 -3.397 1.00 20.10 C +ATOM 4121 O CYS D 112 -21.199 -1.153 -2.984 1.00 16.56 O +ATOM 4122 CB CYS D 112 -18.077 -0.213 -3.441 1.00 12.95 C +ATOM 4123 SG CYS D 112 -16.890 0.371 -2.238 1.00 15.21 S +ATOM 4124 N VAL D 113 -20.090 -2.259 -4.565 1.00 17.02 N +ATOM 4125 CA VAL D 113 -21.229 -2.476 -5.537 1.00 12.28 C +ATOM 4126 C VAL D 113 -22.216 -3.415 -4.943 1.00 12.56 C +ATOM 4127 O VAL D 113 -23.393 -3.166 -4.833 1.00 15.84 O +ATOM 4128 CB VAL D 113 -20.819 -3.012 -6.914 1.00 17.85 C +ATOM 4129 CG1 VAL D 113 -22.007 -3.440 -7.657 1.00 18.74 C +ATOM 4130 CG2 VAL D 113 -20.123 -1.688 -7.807 1.00 21.41 C +ATOM 4131 N LEU D 114 -21.799 -4.480 -4.273 1.00 10.75 N +ATOM 4132 CA LEU D 114 -22.611 -5.453 -3.526 1.00 10.78 C +ATOM 4133 C LEU D 114 -23.336 -4.689 -2.455 1.00 19.00 C +ATOM 4134 O LEU D 114 -24.454 -4.811 -2.196 1.00 11.46 O +ATOM 4135 CB LEU D 114 -21.815 -6.582 -3.114 1.00 14.56 C +ATOM 4136 CG LEU D 114 -21.183 -7.401 -4.241 1.00 17.11 C +ATOM 4137 CD1 LEU D 114 -20.368 -8.591 -3.652 1.00 17.06 C +ATOM 4138 CD2 LEU D 114 -22.473 -8.135 -5.021 1.00 20.86 C +ATOM 4139 N ALA D 115 -22.573 -3.965 -1.677 1.00 11.71 N +ATOM 4140 CA ALA D 115 -23.177 -3.124 -0.512 1.00 11.69 C +ATOM 4141 C ALA D 115 -24.286 -2.193 -1.056 1.00 15.12 C +ATOM 4142 O ALA D 115 -25.190 -2.078 -0.405 1.00 15.47 O +ATOM 4143 CB ALA D 115 -22.014 -2.336 0.283 1.00 12.28 C +ATOM 4144 N HIS D 116 -23.996 -1.420 -2.116 1.00 15.03 N +ATOM 4145 CA HIS D 116 -24.955 -0.497 -2.730 1.00 12.09 C +ATOM 4146 C HIS D 116 -26.163 -1.244 -3.183 1.00 12.50 C +ATOM 4147 O HIS D 116 -27.367 -0.733 -2.977 1.00 15.93 O +ATOM 4148 CB HIS D 116 -24.260 0.137 -3.930 1.00 20.66 C +ATOM 4149 CG HIS D 116 -25.177 1.236 -4.511 1.00 27.72 C +ATOM 4150 ND1 HIS D 116 -25.302 1.194 -5.752 1.00 29.99 N +ATOM 4151 CD2 HIS D 116 -25.633 2.207 -3.823 1.00 30.96 C +ATOM 4152 CE1 HIS D 116 -26.002 2.415 -6.103 1.00 27.26 C +ATOM 4153 NE2 HIS D 116 -26.344 3.000 -4.762 1.00 28.89 N +ATOM 4154 N HIS D 117 -26.018 -2.363 -3.828 1.00 13.33 N +ATOM 4155 CA HIS D 117 -27.076 -3.136 -4.425 1.00 15.24 C +ATOM 4156 C HIS D 117 -27.870 -3.712 -3.255 1.00 17.50 C +ATOM 4157 O HIS D 117 -29.133 -3.855 -3.315 1.00 16.06 O +ATOM 4158 CB HIS D 117 -26.496 -4.135 -5.434 1.00 17.22 C +ATOM 4159 CG HIS D 117 -27.385 -4.774 -6.024 1.00 54.91 C +ATOM 4160 ND1 HIS D 117 -28.250 -3.991 -7.312 1.00 47.40 N +ATOM 4161 CD2 HIS D 117 -28.517 -5.901 -5.930 1.00 49.34 C +ATOM 4162 CE1 HIS D 117 -29.253 -5.278 -7.522 1.00 48.36 C +ATOM 4163 NE2 HIS D 117 -29.230 -6.041 -6.924 1.00 37.10 N +ATOM 4164 N PHE D 118 -27.360 -4.464 -2.297 1.00 14.50 N +ATOM 4165 CA PHE D 118 -28.031 -5.299 -1.218 1.00 19.30 C +ATOM 4166 C PHE D 118 -28.313 -4.501 -0.028 1.00 20.52 C +ATOM 4167 O PHE D 118 -29.066 -5.081 0.915 1.00 18.09 O +ATOM 4168 CB PHE D 118 -27.213 -6.481 -0.908 1.00 18.97 C +ATOM 4169 CG PHE D 118 -27.223 -7.413 -2.204 1.00 18.93 C +ATOM 4170 CD1 PHE D 118 -26.304 -7.801 -3.109 1.00 24.34 C +ATOM 4171 CD2 PHE D 118 -28.509 -8.118 -2.367 1.00 26.48 C +ATOM 4172 CE1 PHE D 118 -26.170 -8.548 -4.227 1.00 20.81 C +ATOM 4173 CE2 PHE D 118 -28.524 -8.992 -3.636 1.00 22.90 C +ATOM 4174 CZ PHE D 118 -27.563 -8.928 -4.575 1.00 38.52 C +ATOM 4175 N GLY D 119 -27.754 -3.376 0.316 1.00 12.95 N +ATOM 4176 CA GLY D 119 -28.196 -2.563 1.458 1.00 17.60 C +ATOM 4177 C GLY D 119 -27.642 -3.404 2.740 1.00 22.58 C +ATOM 4178 O GLY D 119 -26.745 -4.123 2.946 1.00 17.60 O +ATOM 4179 N LYS D 120 -28.738 -3.418 3.697 1.00 21.46 N +ATOM 4180 CA LYS D 120 -28.403 -3.844 5.025 1.00 20.05 C +ATOM 4181 C LYS D 120 -28.472 -5.257 5.045 1.00 21.98 C +ATOM 4182 O LYS D 120 -27.730 -5.889 5.925 1.00 18.57 O +ATOM 4183 CB LYS D 120 -29.674 -3.273 5.899 1.00 27.28 C +ATOM 4184 CG LYS D 120 -30.525 -4.321 5.995 1.00 44.07 C +ATOM 4185 CD LYS D 120 -31.907 -4.631 6.867 1.00 48.21 C +ATOM 4186 CE LYS D 120 -33.041 -5.118 5.873 1.00 53.23 C +ATOM 4187 NZ LYS D 120 -34.578 -6.152 7.224 1.00 62.54 N +ATOM 4188 N GLU D 121 -28.504 -6.080 4.008 1.00 25.88 N +ATOM 4189 CA GLU D 121 -28.273 -7.343 3.934 1.00 20.02 C +ATOM 4190 C GLU D 121 -26.675 -7.822 3.749 1.00 18.96 C +ATOM 4191 O GLU D 121 -26.335 -8.975 4.074 1.00 16.05 O +ATOM 4192 CB GLU D 121 -29.032 -8.153 2.527 1.00 28.13 C +ATOM 4193 CG GLU D 121 -28.995 -9.238 2.561 1.00 40.20 C +ATOM 4194 CD GLU D 121 -30.346 -10.237 1.461 1.00 49.97 C +ATOM 4195 OE1 GLU D 121 -29.357 -11.293 1.004 1.00 36.73 O +ATOM 4196 OE2 GLU D 121 -30.336 -9.346 0.552 1.00 38.86 O +ATOM 4197 N PHE D 122 -26.073 -6.783 3.271 1.00 14.83 N +ATOM 4198 CA PHE D 122 -24.573 -7.060 3.133 1.00 20.37 C +ATOM 4199 C PHE D 122 -23.961 -6.641 4.530 1.00 15.94 C +ATOM 4200 O PHE D 122 -23.307 -5.592 4.698 1.00 17.73 O +ATOM 4201 CB PHE D 122 -24.256 -6.093 2.128 1.00 14.63 C +ATOM 4202 CG PHE D 122 -22.862 -6.484 1.494 1.00 12.39 C +ATOM 4203 CD1 PHE D 122 -22.569 -7.575 0.927 1.00 14.73 C +ATOM 4204 CD2 PHE D 122 -21.593 -5.712 1.717 1.00 15.96 C +ATOM 4205 CE1 PHE D 122 -21.227 -8.021 0.354 1.00 19.03 C +ATOM 4206 CE2 PHE D 122 -20.268 -6.011 1.383 1.00 16.31 C +ATOM 4207 CZ PHE D 122 -20.290 -7.145 0.714 1.00 19.86 C +ATOM 4208 N THR D 123 -24.154 -7.525 5.413 1.00 12.54 N +ATOM 4209 CA THR D 123 -23.654 -7.132 6.808 1.00 13.34 C +ATOM 4210 C THR D 123 -22.221 -7.283 6.854 1.00 15.73 C +ATOM 4211 O THR D 123 -21.546 -7.802 6.060 1.00 13.84 O +ATOM 4212 CB THR D 123 -24.160 -8.212 7.778 1.00 17.72 C +ATOM 4213 OG1 THR D 123 -23.892 -9.520 7.414 1.00 19.04 O +ATOM 4214 CG2 THR D 123 -25.951 -8.264 7.657 1.00 20.06 C +ATOM 4215 N PRO D 124 -21.722 -6.789 8.010 1.00 17.46 N +ATOM 4216 CA PRO D 124 -20.251 -6.940 8.311 1.00 14.41 C +ATOM 4217 C PRO D 124 -19.706 -8.259 8.132 1.00 12.05 C +ATOM 4218 O PRO D 124 -18.668 -8.405 7.486 1.00 13.28 O +ATOM 4219 CB PRO D 124 -20.088 -6.243 9.615 1.00 14.54 C +ATOM 4220 CG PRO D 124 -21.223 -5.227 9.715 1.00 15.93 C +ATOM 4221 CD PRO D 124 -22.358 -6.045 9.113 1.00 14.57 C +ATOM 4222 N PRO D 125 -20.257 -9.372 8.599 1.00 11.40 N +ATOM 4223 CA PRO D 125 -19.807 -10.596 8.366 1.00 17.87 C +ATOM 4224 C PRO D 125 -19.690 -11.236 6.993 1.00 15.21 C +ATOM 4225 O PRO D 125 -18.781 -11.857 6.488 1.00 14.41 O +ATOM 4226 CB PRO D 125 -20.651 -11.465 9.240 1.00 23.30 C +ATOM 4227 CG PRO D 125 -21.148 -10.683 10.183 1.00 26.37 C +ATOM 4228 CD PRO D 125 -21.413 -9.462 9.802 1.00 17.49 C +ATOM 4229 N VAL D 126 -20.833 -10.714 6.263 1.00 17.66 N +ATOM 4230 CA VAL D 126 -20.828 -11.114 4.812 1.00 21.55 C +ATOM 4231 C VAL D 126 -19.574 -10.424 3.938 1.00 16.49 C +ATOM 4232 O VAL D 126 -19.053 -10.988 3.156 1.00 13.46 O +ATOM 4233 CB VAL D 126 -22.452 -10.640 4.161 1.00 13.98 C +ATOM 4234 CG1 VAL D 126 -22.335 -11.055 2.842 1.00 20.70 C +ATOM 4235 CG2 VAL D 126 -23.218 -11.661 4.994 1.00 18.54 C +ATOM 4236 N GLN D 127 -19.567 -8.990 4.377 1.00 10.60 N +ATOM 4237 CA GLN D 127 -18.404 -8.336 3.872 1.00 12.83 C +ATOM 4238 C GLN D 127 -17.168 -9.034 3.964 1.00 13.74 C +ATOM 4239 O GLN D 127 -16.333 -9.154 3.044 1.00 12.71 O +ATOM 4240 CB GLN D 127 -18.494 -6.875 4.230 1.00 11.73 C +ATOM 4241 CG GLN D 127 -17.167 -6.142 3.667 1.00 13.68 C +ATOM 4242 CD GLN D 127 -16.957 -4.845 4.400 1.00 11.81 C +ATOM 4243 OE1 GLN D 127 -17.847 -4.243 5.015 1.00 13.99 O +ATOM 4244 NE2 GLN D 127 -15.920 -4.250 3.871 1.00 15.96 N +ATOM 4245 N ALA D 128 -16.860 -9.470 5.254 1.00 12.61 N +ATOM 4246 CA ALA D 128 -15.629 -10.118 5.636 1.00 9.64 C +ATOM 4247 C ALA D 128 -15.294 -11.332 4.779 1.00 7.66 C +ATOM 4248 O ALA D 128 -14.216 -11.498 4.302 1.00 11.68 O +ATOM 4249 CB ALA D 128 -15.618 -10.468 7.105 1.00 13.80 C +ATOM 4250 N ALA D 129 -16.442 -11.965 4.516 1.00 13.18 N +ATOM 4251 CA ALA D 129 -16.351 -13.231 3.750 1.00 11.17 C +ATOM 4252 C ALA D 129 -15.929 -12.840 2.277 1.00 11.52 C +ATOM 4253 O ALA D 129 -15.098 -13.537 1.657 1.00 13.56 O +ATOM 4254 CB ALA D 129 -17.591 -14.039 3.811 1.00 14.35 C +ATOM 4255 N TYR D 130 -16.661 -11.959 1.697 1.00 13.36 N +ATOM 4256 CA TYR D 130 -16.475 -11.445 0.343 1.00 13.72 C +ATOM 4257 C TYR D 130 -15.053 -10.791 0.256 1.00 15.10 C +ATOM 4258 O TYR D 130 -14.355 -11.020 -0.750 1.00 13.21 O +ATOM 4259 CB TYR D 130 -17.422 -10.440 -0.057 1.00 13.30 C +ATOM 4260 CG TYR D 130 -18.539 -11.158 -0.682 1.00 15.19 C +ATOM 4261 CD1 TYR D 130 -18.456 -11.539 -1.989 1.00 16.58 C +ATOM 4262 CD2 TYR D 130 -19.661 -11.646 -0.093 1.00 11.73 C +ATOM 4263 CE1 TYR D 130 -19.348 -12.381 -2.950 1.00 20.28 C +ATOM 4264 CE2 TYR D 130 -20.692 -12.412 -0.867 1.00 14.90 C +ATOM 4265 CZ TYR D 130 -20.584 -12.824 -2.071 1.00 22.05 C +ATOM 4266 OH TYR D 130 -21.522 -13.470 -2.725 1.00 20.92 O +ATOM 4267 N GLN D 131 -14.583 -10.235 1.300 1.00 12.24 N +ATOM 4268 CA GLN D 131 -13.174 -9.715 1.275 1.00 13.72 C +ATOM 4269 C GLN D 131 -12.128 -10.656 1.064 1.00 20.69 C +ATOM 4270 O GLN D 131 -11.251 -10.668 0.401 1.00 17.83 O +ATOM 4271 CB GLN D 131 -12.830 -8.708 2.421 1.00 13.45 C +ATOM 4272 CG GLN D 131 -13.616 -7.579 2.534 1.00 20.19 C +ATOM 4273 CD GLN D 131 -13.161 -6.166 1.573 1.00 18.43 C +ATOM 4274 OE1 GLN D 131 -14.035 -5.385 1.692 1.00 14.48 O +ATOM 4275 NE2 GLN D 131 -12.233 -6.377 0.841 1.00 16.06 N +ATOM 4276 N LYS D 132 -12.389 -11.876 1.744 1.00 12.67 N +ATOM 4277 CA LYS D 132 -11.377 -12.991 1.725 1.00 15.63 C +ATOM 4278 C LYS D 132 -11.407 -13.587 0.293 1.00 18.80 C +ATOM 4279 O LYS D 132 -10.481 -13.843 -0.328 1.00 14.05 O +ATOM 4280 CB LYS D 132 -11.780 -14.083 2.621 1.00 24.81 C +ATOM 4281 CG LYS D 132 -11.356 -13.759 4.081 1.00 25.97 C +ATOM 4282 CD LYS D 132 -11.952 -14.985 5.007 1.00 26.81 C +ATOM 4283 CE LYS D 132 -12.396 -14.023 6.345 1.00 50.23 C +ATOM 4284 NZ LYS D 132 -12.099 -16.364 7.125 1.00 63.38 N +ATOM 4285 N VAL D 133 -12.646 -13.574 -0.320 1.00 13.42 N +ATOM 4286 CA VAL D 133 -12.819 -14.186 -1.656 1.00 18.27 C +ATOM 4287 C VAL D 133 -12.113 -13.235 -2.641 1.00 19.39 C +ATOM 4288 O VAL D 133 -11.376 -13.757 -3.529 1.00 15.06 O +ATOM 4289 CB VAL D 133 -14.347 -14.459 -2.009 1.00 17.40 C +ATOM 4290 CG1 VAL D 133 -14.482 -14.527 -3.527 1.00 22.79 C +ATOM 4291 CG2 VAL D 133 -14.897 -15.429 -1.020 1.00 19.90 C +ATOM 4292 N VAL D 134 -12.419 -12.044 -2.631 1.00 14.66 N +ATOM 4293 CA VAL D 134 -11.817 -11.184 -3.697 1.00 17.41 C +ATOM 4294 C VAL D 134 -10.205 -10.998 -3.622 1.00 17.93 C +ATOM 4295 O VAL D 134 -9.555 -11.088 -4.632 1.00 17.13 O +ATOM 4296 CB VAL D 134 -12.523 -9.795 -3.826 1.00 16.69 C +ATOM 4297 CG1 VAL D 134 -13.942 -9.809 -3.996 1.00 22.42 C +ATOM 4298 CG2 VAL D 134 -12.135 -9.012 -2.596 1.00 16.30 C +ATOM 4299 N ALA D 135 -9.754 -11.116 -2.425 1.00 16.25 N +ATOM 4300 CA ALA D 135 -8.338 -11.031 -2.088 1.00 14.79 C +ATOM 4301 C ALA D 135 -7.743 -12.494 -2.790 1.00 21.70 C +ATOM 4302 O ALA D 135 -6.667 -12.571 -3.342 1.00 16.89 O +ATOM 4303 CB ALA D 135 -7.946 -11.087 -0.719 1.00 18.34 C +ATOM 4304 N GLY D 136 -8.430 -13.631 -2.593 1.00 17.40 N +ATOM 4305 CA GLY D 136 -8.238 -14.854 -2.994 1.00 16.77 C +ATOM 4306 C GLY D 136 -8.046 -14.863 -4.547 1.00 21.35 C +ATOM 4307 O GLY D 136 -7.103 -15.386 -5.248 1.00 16.80 O +ATOM 4308 N VAL D 137 -9.061 -14.287 -5.106 1.00 23.70 N +ATOM 4309 CA VAL D 137 -9.117 -14.207 -6.516 1.00 26.49 C +ATOM 4310 C VAL D 137 -8.271 -13.386 -7.311 1.00 33.07 C +ATOM 4311 O VAL D 137 -7.434 -13.729 -8.023 1.00 30.90 O +ATOM 4312 CB VAL D 137 -10.635 -13.731 -7.203 1.00 15.94 C +ATOM 4313 CG1 VAL D 137 -10.606 -13.355 -8.722 1.00 21.57 C +ATOM 4314 CG2 VAL D 137 -11.540 -14.757 -6.690 1.00 21.46 C +ATOM 4315 N ALA D 138 -7.804 -12.254 -6.635 1.00 14.66 N +ATOM 4316 CA ALA D 138 -6.688 -11.339 -7.074 1.00 18.95 C +ATOM 4317 C ALA D 138 -5.417 -12.079 -7.070 1.00 18.17 C +ATOM 4318 O ALA D 138 -4.593 -11.997 -7.851 1.00 14.81 O +ATOM 4319 CB ALA D 138 -6.540 -10.040 -6.183 1.00 19.78 C +ATOM 4320 N ASN D 139 -5.187 -12.811 -5.928 1.00 15.30 N +ATOM 4321 CA ASN D 139 -3.937 -13.374 -5.586 1.00 18.41 C +ATOM 4322 C ASN D 139 -3.703 -14.483 -6.697 1.00 25.63 C +ATOM 4323 O ASN D 139 -2.635 -14.913 -7.329 1.00 23.38 O +ATOM 4324 CB ASN D 139 -3.989 -14.050 -4.592 1.00 50.89 C +ATOM 4325 CG ASN D 139 -3.194 -13.790 -3.503 1.00 63.06 C +ATOM 4326 OD1 ASN D 139 -2.135 -15.017 -3.938 1.00 52.41 O +ATOM 4327 ND2 ASN D 139 -3.072 -12.228 -3.482 1.00 29.84 N +ATOM 4328 N ALA D 140 -4.873 -15.260 -6.949 1.00 19.40 N +ATOM 4329 CA ALA D 140 -5.005 -16.402 -7.986 1.00 23.09 C +ATOM 4330 C ALA D 140 -4.740 -15.710 -9.403 1.00 18.16 C +ATOM 4331 O ALA D 140 -3.930 -16.420 -10.089 1.00 16.51 O +ATOM 4332 CB ALA D 140 -6.303 -16.997 -8.071 1.00 18.14 C +ATOM 4333 N LEU D 141 -5.172 -14.659 -9.775 1.00 14.97 N +ATOM 4334 CA LEU D 141 -4.899 -14.068 -11.011 1.00 14.94 C +ATOM 4335 C LEU D 141 -3.434 -13.602 -11.198 1.00 11.73 C +ATOM 4336 O LEU D 141 -2.840 -13.285 -12.242 1.00 15.21 O +ATOM 4337 CB LEU D 141 -6.006 -12.939 -11.311 1.00 15.16 C +ATOM 4338 CG LEU D 141 -7.325 -13.394 -11.757 1.00 17.87 C +ATOM 4339 CD1 LEU D 141 -7.836 -12.121 -12.278 1.00 24.86 C +ATOM 4340 CD2 LEU D 141 -6.860 -13.940 -13.382 1.00 16.07 C +ATOM 4341 N ALA D 142 -2.826 -13.097 -10.036 1.00 14.26 N +ATOM 4342 CA ALA D 142 -1.439 -12.718 -10.054 1.00 17.21 C +ATOM 4343 C ALA D 142 -0.379 -13.783 -9.991 1.00 18.46 C +ATOM 4344 O ALA D 142 0.751 -13.412 -10.228 1.00 18.92 O +ATOM 4345 CB ALA D 142 -1.279 -11.774 -8.892 1.00 19.11 C +ATOM 4346 N HIS D 143 -0.748 -15.020 -9.767 1.00 19.75 N +ATOM 4347 CA HIS D 143 0.079 -16.200 -9.518 1.00 26.63 C +ATOM 4348 C HIS D 143 1.176 -16.436 -10.670 1.00 23.72 C +ATOM 4349 O HIS D 143 2.224 -16.803 -10.136 1.00 24.41 O +ATOM 4350 CB HIS D 143 -0.669 -17.339 -8.942 1.00 25.89 C +ATOM 4351 CG HIS D 143 0.097 -18.406 -8.683 1.00 56.45 C +ATOM 4352 ND1 HIS D 143 0.122 -19.475 -9.292 1.00 44.25 N +ATOM 4353 CD2 HIS D 143 1.035 -18.261 -7.098 1.00 48.81 C +ATOM 4354 CE1 HIS D 143 1.293 -20.089 -8.356 1.00 56.93 C +ATOM 4355 NE2 HIS D 143 1.407 -19.517 -7.123 1.00 49.27 N +ATOM 4356 N LYS D 144 0.773 -16.313 -11.824 1.00 19.26 N +ATOM 4357 CA LYS D 144 1.442 -16.574 -13.172 1.00 33.94 C +ATOM 4358 C LYS D 144 2.421 -15.633 -13.479 1.00 32.28 C +ATOM 4359 O LYS D 144 2.996 -15.637 -14.654 1.00 23.60 O +ATOM 4360 CB LYS D 144 1.055 -17.526 -13.968 1.00 31.20 C +ATOM 4361 CG LYS D 144 0.220 -18.870 -13.388 1.00 40.85 C +ATOM 4362 CD LYS D 144 1.002 -19.972 -13.512 1.00 59.03 C +ATOM 4363 CE LYS D 144 0.888 -21.048 -13.306 1.00 56.19 C +ATOM 4364 NZ LYS D 144 1.510 -22.846 -14.338 1.00 70.96 N +ATOM 4365 N TYR D 145 2.435 -14.424 -12.946 1.00 24.92 N +ATOM 4366 CA TYR D 145 3.207 -13.372 -13.244 1.00 29.13 C +ATOM 4367 C TYR D 145 4.717 -13.524 -13.102 1.00 38.17 C +ATOM 4368 O TYR D 145 5.061 -14.114 -12.139 1.00 27.99 O +ATOM 4369 CB TYR D 145 2.744 -12.016 -12.590 1.00 17.99 C +ATOM 4370 CG TYR D 145 1.621 -11.268 -13.262 1.00 17.42 C +ATOM 4371 CD1 TYR D 145 1.523 -10.110 -13.925 1.00 16.93 C +ATOM 4372 CD2 TYR D 145 0.375 -12.020 -13.134 1.00 18.60 C +ATOM 4373 CE1 TYR D 145 0.498 -9.521 -14.492 1.00 17.99 C +ATOM 4374 CE2 TYR D 145 -0.813 -11.356 -13.802 1.00 14.96 C +ATOM 4375 CZ TYR D 145 -0.763 -10.275 -14.381 1.00 12.85 C +ATOM 4376 OH TYR D 145 -1.813 -9.580 -14.987 1.00 13.31 O +ATOM 4377 N HIS D 146 5.428 -13.165 -14.072 1.00 26.11 N +ATOM 4378 CA HIS D 146 7.054 -13.167 -14.050 1.00 31.89 C +ATOM 4379 C HIS D 146 7.429 -12.153 -15.048 1.00 21.33 C +ATOM 4380 O HIS D 146 6.931 -11.249 -15.530 1.00 27.92 O +ATOM 4381 CB HIS D 146 7.223 -14.769 -14.665 1.00 30.13 C +ATOM 4382 CG HIS D 146 6.497 -14.789 -15.882 1.00 40.51 C +ATOM 4383 ND1 HIS D 146 7.552 -14.702 -17.398 1.00 47.51 N +ATOM 4384 CD2 HIS D 146 5.784 -14.325 -16.776 1.00 45.49 C +ATOM 4385 CE1 HIS D 146 7.188 -14.800 -17.949 1.00 56.67 C +ATOM 4386 NE2 HIS D 146 5.714 -14.339 -18.353 1.00 37.33 N +ATOM 4387 OXT HIS D 146 8.812 -12.134 -14.847 1.00 21.61 O +TER 4388 HIS D 146 +HETATM 4389 CHA HEM A 142 8.585 7.902 -18.282 1.00 16.31 C +HETATM 4390 CHB HEM A 142 10.355 9.805 -14.208 1.00 26.27 C +HETATM 4391 CHC HEM A 142 8.341 6.363 -11.589 1.00 13.23 C +HETATM 4392 CHD HEM A 142 6.988 4.088 -15.744 1.00 14.77 C +HETATM 4393 C1A HEM A 142 9.141 8.725 -17.504 1.00 17.40 C +HETATM 4394 C2A HEM A 142 10.098 9.952 -17.887 1.00 18.53 C +HETATM 4395 C3A HEM A 142 10.636 10.499 -16.796 1.00 18.36 C +HETATM 4396 C4A HEM A 142 10.137 9.679 -15.611 1.00 16.88 C +HETATM 4397 CMA HEM A 142 11.613 11.590 -16.732 1.00 21.20 C +HETATM 4398 CAA HEM A 142 10.403 10.367 -19.312 1.00 25.54 C +HETATM 4399 CBA HEM A 142 9.552 11.270 -19.659 1.00 31.38 C +HETATM 4400 CGA HEM A 142 10.793 12.286 -21.342 1.00 44.82 C +HETATM 4401 O1A HEM A 142 9.887 11.345 -21.943 1.00 39.10 O +HETATM 4402 O2A HEM A 142 9.308 12.698 -21.487 1.00 54.71 O +HETATM 4403 C1B HEM A 142 9.938 9.271 -13.145 1.00 23.63 C +HETATM 4404 C2B HEM A 142 10.318 9.380 -11.838 1.00 11.67 C +HETATM 4405 C3B HEM A 142 9.660 8.341 -11.052 1.00 17.41 C +HETATM 4406 C4B HEM A 142 9.028 7.467 -11.975 1.00 14.84 C +HETATM 4407 CMB HEM A 142 11.048 10.634 -11.389 1.00 12.32 C +HETATM 4408 CAB HEM A 142 9.567 8.336 -9.634 1.00 24.30 C +HETATM 4409 CBB HEM A 142 10.576 8.441 -8.785 1.00 28.40 C +HETATM 4410 C1C HEM A 142 7.680 5.498 -12.499 1.00 13.39 C +HETATM 4411 C2C HEM A 142 7.270 4.198 -12.170 1.00 11.20 C +HETATM 4412 C3C HEM A 142 6.975 3.441 -13.304 1.00 8.94 C +HETATM 4413 C4C HEM A 142 7.207 4.445 -14.517 1.00 10.29 C +HETATM 4414 CMC HEM A 142 7.098 3.618 -10.845 1.00 13.77 C +HETATM 4415 CAC HEM A 142 6.342 2.184 -13.525 1.00 13.45 C +HETATM 4416 CBC HEM A 142 6.722 1.153 -12.766 1.00 11.27 C +HETATM 4417 C1D HEM A 142 7.302 4.989 -16.733 1.00 11.32 C +HETATM 4418 C2D HEM A 142 7.141 4.644 -18.240 1.00 16.69 C +HETATM 4419 C3D HEM A 142 7.540 5.718 -18.887 1.00 20.49 C +HETATM 4420 C4D HEM A 142 8.172 6.582 -18.158 1.00 16.46 C +HETATM 4421 CMD HEM A 142 6.354 3.385 -18.817 1.00 19.45 C +HETATM 4422 CAD HEM A 142 7.621 5.740 -20.408 1.00 21.31 C +HETATM 4423 CBD HEM A 142 8.764 5.354 -20.767 1.00 38.22 C +HETATM 4424 CGD HEM A 142 9.138 5.049 -22.798 1.00 41.21 C +HETATM 4425 O1D HEM A 142 9.998 5.836 -22.703 1.00 42.81 O +HETATM 4426 O2D HEM A 142 8.349 4.920 -23.144 1.00 40.12 O +HETATM 4427 NA HEM A 142 9.397 8.686 -16.211 1.00 16.46 N +HETATM 4428 NB HEM A 142 9.343 8.012 -13.298 1.00 12.29 N +HETATM 4429 NC HEM A 142 7.604 5.533 -13.949 1.00 15.07 N +HETATM 4430 ND HEM A 142 7.715 6.202 -16.788 1.00 13.07 N +HETATM 4431 FE HEM A 142 8.116 7.403 -15.045 1.00 18.07 FE +HETATM 4432 P PO4 B 147 5.931 -21.573 3.319 1.00 32.97 P +HETATM 4433 CHA HEM B 148 9.659 -10.155 20.773 1.00 21.59 C +HETATM 4434 CHB HEM B 148 11.121 -12.190 16.575 1.00 16.50 C +HETATM 4435 CHC HEM B 148 9.762 -8.175 14.122 1.00 16.82 C +HETATM 4436 CHD HEM B 148 8.223 -6.187 18.294 1.00 16.19 C +HETATM 4437 C1A HEM B 148 10.199 -10.977 19.856 1.00 24.57 C +HETATM 4438 C2A HEM B 148 10.940 -12.186 20.114 1.00 17.10 C +HETATM 4439 C3A HEM B 148 11.529 -12.852 19.028 1.00 13.46 C +HETATM 4440 C4A HEM B 148 10.911 -11.942 17.916 1.00 18.78 C +HETATM 4441 CMA HEM B 148 12.211 -14.084 18.855 1.00 20.21 C +HETATM 4442 CAA HEM B 148 11.171 -12.750 21.554 1.00 21.16 C +HETATM 4443 CBA HEM B 148 10.089 -13.674 21.941 1.00 27.78 C +HETATM 4444 CGA HEM B 148 9.936 -14.643 23.585 1.00 59.12 C +HETATM 4445 O1A HEM B 148 10.040 -13.299 24.151 1.00 44.32 O +HETATM 4446 O2A HEM B 148 9.582 -15.171 23.405 1.00 46.16 O +HETATM 4447 C1B HEM B 148 10.820 -11.284 15.524 1.00 10.36 C +HETATM 4448 C2B HEM B 148 11.247 -11.528 14.048 1.00 7.33 C +HETATM 4449 C3B HEM B 148 10.827 -10.448 13.495 1.00 15.63 C +HETATM 4450 C4B HEM B 148 10.176 -9.458 14.534 1.00 15.33 C +HETATM 4451 CMB HEM B 148 11.793 -12.748 13.802 1.00 14.96 C +HETATM 4452 CAB HEM B 148 10.965 -10.083 11.934 1.00 19.63 C +HETATM 4453 CBB HEM B 148 12.063 -10.466 11.288 1.00 39.39 C +HETATM 4454 C1C HEM B 148 9.223 -7.280 15.193 1.00 14.39 C +HETATM 4455 C2C HEM B 148 8.943 -5.947 14.698 1.00 10.78 C +HETATM 4456 C3C HEM B 148 8.461 -5.188 15.934 1.00 10.68 C +HETATM 4457 C4C HEM B 148 8.575 -6.422 16.809 1.00 8.70 C +HETATM 4458 CMC HEM B 148 9.067 -5.306 13.381 1.00 13.95 C +HETATM 4459 CAC HEM B 148 7.915 -3.899 16.132 1.00 11.87 C +HETATM 4460 CBC HEM B 148 8.359 -2.863 15.599 1.00 12.63 C +HETATM 4461 C1D HEM B 148 8.576 -7.046 19.346 1.00 18.32 C +HETATM 4462 C2D HEM B 148 8.195 -6.791 20.753 1.00 15.48 C +HETATM 4463 C3D HEM B 148 8.512 -8.051 21.256 1.00 14.57 C +HETATM 4464 C4D HEM B 148 9.290 -8.905 20.340 1.00 20.76 C +HETATM 4465 CMD HEM B 148 7.722 -5.449 21.269 1.00 27.50 C +HETATM 4466 CAD HEM B 148 8.696 -7.989 22.865 1.00 13.85 C +HETATM 4467 CBD HEM B 148 10.051 -7.739 23.453 1.00 17.11 C +HETATM 4468 CGD HEM B 148 10.333 -8.222 25.219 1.00 27.09 C +HETATM 4469 O1D HEM B 148 11.372 -7.572 25.386 1.00 27.49 O +HETATM 4470 O2D HEM B 148 9.169 -8.132 25.625 1.00 23.65 O +HETATM 4471 NA HEM B 148 10.260 -10.823 18.453 1.00 15.64 N +HETATM 4472 NB HEM B 148 10.199 -10.051 15.722 1.00 12.71 N +HETATM 4473 NC HEM B 148 9.104 -7.643 16.544 1.00 11.22 N +HETATM 4474 ND HEM B 148 9.090 -8.239 19.067 1.00 16.72 N +HETATM 4475 FE HEM B 148 9.333 -9.335 17.389 1.00 15.00 FE +HETATM 4476 CHA HEM C 142 -8.630 7.776 18.352 1.00 18.96 C +HETATM 4477 CHB HEM C 142 -10.320 10.048 14.384 1.00 20.49 C +HETATM 4478 CHC HEM C 142 -8.304 6.446 11.794 1.00 15.25 C +HETATM 4479 CHD HEM C 142 -6.900 4.052 15.698 1.00 14.70 C +HETATM 4480 C1A HEM C 142 -9.195 8.664 17.417 1.00 16.72 C +HETATM 4481 C2A HEM C 142 -10.045 9.791 17.916 1.00 15.73 C +HETATM 4482 C3A HEM C 142 -10.613 10.462 16.942 1.00 17.27 C +HETATM 4483 C4A HEM C 142 -10.077 9.749 15.710 1.00 12.07 C +HETATM 4484 CMA HEM C 142 -11.422 11.658 16.756 1.00 31.88 C +HETATM 4485 CAA HEM C 142 -10.321 10.351 19.308 1.00 24.60 C +HETATM 4486 CBA HEM C 142 -9.201 11.341 19.696 1.00 36.28 C +HETATM 4487 CGA HEM C 142 -10.014 12.024 21.724 1.00 43.70 C +HETATM 4488 O1A HEM C 142 -9.511 10.786 22.089 1.00 38.93 O +HETATM 4489 O2A HEM C 142 -9.503 12.583 21.415 1.00 46.28 O +HETATM 4490 C1B HEM C 142 -9.882 9.419 13.260 1.00 18.45 C +HETATM 4491 C2B HEM C 142 -10.342 9.474 11.782 1.00 12.95 C +HETATM 4492 C3B HEM C 142 -9.631 8.558 11.160 1.00 12.49 C +HETATM 4493 C4B HEM C 142 -8.945 7.665 12.157 1.00 8.33 C +HETATM 4494 CMB HEM C 142 -11.015 10.631 11.441 1.00 15.16 C +HETATM 4495 CAB HEM C 142 -9.701 8.335 9.552 1.00 21.83 C +HETATM 4496 CBB HEM C 142 -10.742 8.875 9.052 1.00 33.11 C +HETATM 4497 C1C HEM C 142 -7.751 5.629 12.596 1.00 15.97 C +HETATM 4498 C2C HEM C 142 -7.320 4.232 12.130 1.00 9.41 C +HETATM 4499 C3C HEM C 142 -6.879 3.543 13.304 1.00 11.73 C +HETATM 4500 C4C HEM C 142 -7.009 4.441 14.484 1.00 15.36 C +HETATM 4501 CMC HEM C 142 -7.210 3.774 10.722 1.00 13.23 C +HETATM 4502 CAC HEM C 142 -6.459 2.233 13.437 1.00 19.55 C +HETATM 4503 CBC HEM C 142 -6.761 1.082 12.572 1.00 14.52 C +HETATM 4504 C1D HEM C 142 -7.305 4.996 16.751 1.00 11.54 C +HETATM 4505 C2D HEM C 142 -6.959 4.620 18.250 1.00 12.94 C +HETATM 4506 C3D HEM C 142 -7.527 5.654 18.907 1.00 11.38 C +HETATM 4507 C4D HEM C 142 -7.947 6.663 18.081 1.00 11.29 C +HETATM 4508 CMD HEM C 142 -6.299 3.375 18.648 1.00 13.29 C +HETATM 4509 CAD HEM C 142 -7.594 5.618 20.504 1.00 15.84 C +HETATM 4510 CBD HEM C 142 -8.833 5.076 20.877 1.00 21.27 C +HETATM 4511 CGD HEM C 142 -9.085 5.314 22.774 1.00 26.94 C +HETATM 4512 O1D HEM C 142 -10.036 5.486 22.824 1.00 30.21 O +HETATM 4513 O2D HEM C 142 -8.326 4.541 23.113 1.00 25.95 O +HETATM 4514 NA HEM C 142 -9.276 8.702 16.089 1.00 16.55 N +HETATM 4515 NB HEM C 142 -9.138 8.185 13.333 1.00 12.79 N +HETATM 4516 NC HEM C 142 -7.518 5.627 13.990 1.00 12.28 N +HETATM 4517 ND HEM C 142 -7.740 6.303 16.793 1.00 12.30 N +HETATM 4518 FE HEM C 142 -8.129 7.348 15.002 1.00 16.89 FE +HETATM 4519 P PO4 D 147 -6.147 -21.111 -3.332 1.00 31.17 P +HETATM 4520 CHA HEM D 148 -9.813 -9.884 -20.599 1.00 19.84 C +HETATM 4521 CHB HEM D 148 -11.252 -11.989 -16.610 1.00 16.61 C +HETATM 4522 CHC HEM D 148 -9.951 -8.302 -14.119 1.00 13.93 C +HETATM 4523 CHD HEM D 148 -8.200 -5.985 -18.127 1.00 15.88 C +HETATM 4524 C1A HEM D 148 -10.428 -10.865 -19.783 1.00 28.09 C +HETATM 4525 C2A HEM D 148 -11.318 -12.071 -20.258 1.00 22.30 C +HETATM 4526 C3A HEM D 148 -11.693 -12.664 -19.188 1.00 22.59 C +HETATM 4527 C4A HEM D 148 -11.051 -11.756 -18.004 1.00 25.38 C +HETATM 4528 CMA HEM D 148 -12.566 -13.772 -18.973 1.00 20.23 C +HETATM 4529 CAA HEM D 148 -11.486 -12.464 -21.884 1.00 19.24 C +HETATM 4530 CBA HEM D 148 -10.405 -12.971 -22.194 1.00 50.08 C +HETATM 4531 CGA HEM D 148 -9.805 -13.296 -24.484 1.00 47.00 C +HETATM 4532 O1A HEM D 148 -11.117 -13.581 -24.158 1.00 49.99 O +HETATM 4533 O2A HEM D 148 -9.172 -14.946 -24.346 1.00 55.24 O +HETATM 4534 C1B HEM D 148 -10.937 -11.332 -15.462 1.00 14.32 C +HETATM 4535 C2B HEM D 148 -11.232 -11.509 -14.176 1.00 15.75 C +HETATM 4536 C3B HEM D 148 -10.801 -10.525 -13.479 1.00 14.95 C +HETATM 4537 C4B HEM D 148 -10.217 -9.585 -14.421 1.00 12.78 C +HETATM 4538 CMB HEM D 148 -11.799 -12.726 -13.757 1.00 18.74 C +HETATM 4539 CAB HEM D 148 -10.869 -10.291 -11.895 1.00 16.19 C +HETATM 4540 CBB HEM D 148 -11.756 -10.396 -11.494 1.00 34.22 C +HETATM 4541 C1C HEM D 148 -9.469 -7.417 -14.891 1.00 14.15 C +HETATM 4542 C2C HEM D 148 -8.915 -5.898 -14.609 1.00 16.84 C +HETATM 4543 C3C HEM D 148 -8.353 -5.322 -15.741 1.00 13.21 C +HETATM 4544 C4C HEM D 148 -8.605 -6.360 -16.751 1.00 15.07 C +HETATM 4545 CMC HEM D 148 -9.128 -5.229 -13.166 1.00 18.77 C +HETATM 4546 CAC HEM D 148 -7.843 -4.077 -15.916 1.00 13.84 C +HETATM 4547 CBC HEM D 148 -8.331 -3.032 -15.408 1.00 20.77 C +HETATM 4548 C1D HEM D 148 -8.465 -7.065 -19.281 1.00 18.28 C +HETATM 4549 C2D HEM D 148 -8.394 -6.595 -20.574 1.00 20.40 C +HETATM 4550 C3D HEM D 148 -8.861 -7.841 -21.341 1.00 19.16 C +HETATM 4551 C4D HEM D 148 -9.573 -8.702 -20.531 1.00 19.80 C +HETATM 4552 CMD HEM D 148 -7.686 -5.397 -21.106 1.00 25.65 C +HETATM 4553 CAD HEM D 148 -8.956 -7.733 -22.890 1.00 23.94 C +HETATM 4554 CBD HEM D 148 -10.040 -6.949 -23.304 1.00 45.78 C +HETATM 4555 CGD HEM D 148 -10.579 -7.365 -25.200 1.00 48.49 C +HETATM 4556 O1D HEM D 148 -9.907 -5.916 -25.395 1.00 40.71 O +HETATM 4557 O2D HEM D 148 -9.982 -7.978 -25.490 1.00 45.79 O +HETATM 4558 NA HEM D 148 -10.454 -10.804 -18.459 1.00 15.98 N +HETATM 4559 NB HEM D 148 -10.364 -9.999 -15.688 1.00 14.27 N +HETATM 4560 NC HEM D 148 -9.228 -7.489 -16.235 1.00 12.21 N +HETATM 4561 ND HEM D 148 -9.282 -8.209 -19.162 1.00 12.94 N +HETATM 4562 FE HEM D 148 -9.504 -9.265 -17.387 1.00 15.46 FE +HETATM 4563 O HOH A 143 27.864 0.667 0.584 1.00 21.15 O +HETATM 4564 O HOH A 144 10.459 5.072 -14.201 1.00 29.96 O +HETATM 4565 O HOH A 145 17.782 -1.325 -26.109 1.00 23.65 O +HETATM 4566 O HOH A 146 13.825 2.114 3.861 1.00 23.17 O +HETATM 4567 O HOH A 147 16.741 12.813 9.083 1.00 26.86 O +HETATM 4568 O HOH A 148 22.374 9.235 11.515 1.00 30.53 O +HETATM 4569 O HOH A 149 25.903 -1.921 -7.245 1.00 27.68 O +HETATM 4570 O HOH A 150 11.472 3.167 0.508 1.00 27.27 O +HETATM 4571 O HOH A 151 30.661 6.822 -0.101 1.00 29.31 O +HETATM 4572 O HOH A 152 -3.585 1.717 -5.969 1.00 29.54 O +HETATM 4573 O HOH A 153 32.341 10.298 6.014 1.00 35.74 O +HETATM 4574 O HOH A 154 34.406 10.442 4.080 1.00 31.58 O +HETATM 4575 O HOH A 155 30.017 0.297 -1.177 1.00 37.73 O +HETATM 4576 O HOH A 156 21.428 14.396 -13.024 1.00 37.58 O +HETATM 4577 O HOH A 157 10.103 6.463 -0.224 1.00 29.83 O +HETATM 4578 O HOH A 158 28.011 -0.672 -5.493 1.00 34.75 O +HETATM 4579 O HOH A 159 12.221 6.676 -21.742 1.00 35.95 O +HETATM 4580 O HOH A 160 0.070 13.369 -11.506 1.00 27.36 O +HETATM 4581 O HOH A 161 6.073 -7.542 -8.224 1.00 27.80 O +HETATM 4582 O HOH A 162 0.959 -1.910 -19.919 1.00 29.65 O +HETATM 4583 O HOH A 163 -5.435 9.067 -14.288 1.00 30.27 O +HETATM 4584 O HOH A 164 3.108 18.897 -10.351 1.00 37.13 O +HETATM 4585 O HOH A 165 9.253 2.690 -0.595 1.00 31.92 O +HETATM 4586 O HOH A 166 3.509 1.516 -20.390 1.00 30.86 O +HETATM 4587 O HOH A 167 7.323 6.472 -2.528 1.00 34.91 O +HETATM 4588 O HOH A 168 8.069 21.100 -2.836 1.00 34.13 O +HETATM 4589 O HOH A 169 22.069 5.076 -17.599 1.00 36.10 O +HETATM 4590 O HOH A 170 12.511 23.031 -13.238 1.00 37.77 O +HETATM 4591 O HOH A 171 27.846 5.439 7.283 1.00 39.01 O +HETATM 4592 O HOH A 172 16.593 -6.697 -7.432 1.00 35.74 O +HETATM 4593 O HOH A 173 19.969 -3.554 -17.319 1.00 36.03 O +HETATM 4594 O HOH A 174 14.440 13.918 -17.292 1.00 34.06 O +HETATM 4595 O HOH A 175 30.151 3.417 -5.741 1.00 35.04 O +HETATM 4596 O HOH A 176 8.360 5.321 2.557 1.00 38.02 O +HETATM 4597 O HOH A 177 -6.479 11.748 -17.967 1.00 39.72 O +HETATM 4598 O HOH A 178 8.608 18.432 -15.341 1.00 36.40 O +HETATM 4599 O HOH A 179 13.827 13.620 8.994 1.00 37.52 O +HETATM 4600 O HOH A 180 16.070 12.039 11.262 1.00 38.53 O +HETATM 4601 O HOH A 181 2.747 5.937 -4.128 1.00 42.85 O +HETATM 4602 O HOH A 182 7.523 20.881 -15.648 1.00 39.27 O +HETATM 4603 O HOH A 183 11.712 -10.960 -5.769 1.00 38.61 O +HETATM 4604 O HOH A 184 30.119 4.139 -8.587 1.00 34.80 O +HETATM 4605 O HOH A 185 25.533 1.205 -11.184 1.00 42.30 O +HETATM 4606 O HOH A 186 -4.812 12.384 -7.265 1.00 38.29 O +HETATM 4607 O HOH A 187 23.809 19.925 1.758 1.00 39.37 O +HETATM 4608 O HOH A 188 26.015 11.766 5.159 1.00 40.95 O +HETATM 4609 O HOH A 189 14.639 24.823 -4.300 1.00 41.35 O +HETATM 4610 O HOH A 190 14.903 5.393 -23.047 1.00 37.45 O +HETATM 4611 O HOH A 191 16.650 -5.137 -16.717 1.00 39.12 O +HETATM 4612 O HOH A 192 7.424 -6.700 -20.085 1.00 38.62 O +HETATM 4613 O HOH A 193 23.120 -3.118 -12.992 1.00 37.05 O +HETATM 4614 O HOH A 194 23.664 0.968 -14.389 1.00 36.25 O +HETATM 4615 O HOH A 195 25.698 7.981 -15.362 1.00 35.85 O +HETATM 4616 O HOH A 196 30.009 16.347 -6.794 1.00 37.62 O +HETATM 4617 O HOH A 197 27.728 16.677 -1.376 1.00 42.54 O +HETATM 4618 O HOH A 198 8.142 18.836 1.041 1.00 39.90 O +HETATM 4619 O HOH B 149 0.093 -2.470 16.222 1.00 21.64 O +HETATM 4620 O HOH B 150 -5.404 -9.289 14.863 1.00 29.94 O +HETATM 4621 O HOH B 151 17.543 -13.863 -8.044 1.00 26.33 O +HETATM 4622 O HOH B 152 10.126 -8.396 -0.639 1.00 27.87 O +HETATM 4623 O HOH B 153 25.765 -4.888 -7.482 1.00 33.60 O +HETATM 4624 O HOH B 154 31.028 -6.924 -0.005 1.00 27.86 O +HETATM 4625 O HOH B 155 10.572 -9.505 7.329 1.00 34.89 O +HETATM 4626 O HOH B 156 2.908 -19.221 10.523 1.00 29.82 O +HETATM 4627 O HOH B 157 27.245 -11.383 -5.263 1.00 34.30 O +HETATM 4628 O HOH B 158 5.726 -17.664 4.076 1.00 29.36 O +HETATM 4629 O HOH B 159 30.677 -1.382 -3.264 1.00 34.23 O +HETATM 4630 O HOH B 160 21.396 -19.202 9.299 1.00 34.06 O +HETATM 4631 O HOH B 161 3.400 -4.625 22.878 1.00 34.98 O +HETATM 4632 O HOH B 162 23.029 7.858 13.868 1.00 34.02 O +HETATM 4633 O HOH B 163 10.054 0.537 2.970 1.00 33.29 O +HETATM 4634 O HOH B 164 16.523 -14.815 19.144 1.00 32.12 O +HETATM 4635 O HOH B 165 -3.521 -7.996 18.788 1.00 35.56 O +HETATM 4636 O HOH B 166 9.429 -6.067 3.140 1.00 34.98 O +HETATM 4637 O HOH B 167 25.800 -14.208 -2.740 1.00 37.65 O +HETATM 4638 O HOH B 168 0.313 -14.430 5.859 1.00 34.45 O +HETATM 4639 O HOH B 169 25.879 -15.224 10.033 1.00 33.37 O +HETATM 4640 O HOH B 170 35.602 -4.153 -9.289 1.00 35.71 O +HETATM 4641 O HOH B 171 20.781 6.254 23.632 1.00 38.68 O +HETATM 4642 O HOH B 172 21.800 -18.543 12.994 1.00 40.56 O +HETATM 4643 O HOH B 173 7.807 -19.735 16.230 1.00 34.56 O +HETATM 4644 O HOH B 174 -2.047 -12.487 30.048 1.00 36.28 O +HETATM 4645 O HOH B 175 13.681 -7.349 23.790 1.00 31.60 O +HETATM 4646 O HOH B 176 24.831 -18.968 5.896 1.00 34.00 O +HETATM 4647 O HOH B 177 5.475 -5.297 23.977 1.00 36.71 O +HETATM 4648 O HOH B 178 15.904 -5.466 24.689 1.00 34.84 O +HETATM 4649 O HOH B 179 22.123 0.182 16.584 1.00 33.20 O +HETATM 4650 O HOH B 180 19.207 -15.705 -9.408 1.00 37.19 O +HETATM 4651 O HOH B 181 25.174 -12.029 -8.381 1.00 35.87 O +HETATM 4652 O HOH B 182 -10.362 -13.333 12.465 1.00 36.08 O +HETATM 4653 O HOH B 183 12.092 8.997 23.297 1.00 38.22 O +HETATM 4654 O HOH B 184 7.727 5.204 22.116 1.00 43.17 O +HETATM 4655 O HOH B 185 30.137 -14.006 10.129 1.00 36.03 O +HETATM 4656 O HOH B 186 13.730 -18.833 14.202 1.00 39.57 O +HETATM 4657 O HOH B 187 22.379 8.870 23.585 1.00 37.45 O +HETATM 4658 O HOH B 188 -4.205 -14.646 8.671 1.00 38.65 O +HETATM 4659 O HOH B 189 12.589 14.261 19.653 1.00 36.93 O +HETATM 4660 O HOH B 190 24.652 6.230 17.996 1.00 42.01 O +HETATM 4661 O HOH B 191 8.775 -23.438 16.055 1.00 42.33 O +HETATM 4662 O HOH B 192 -7.480 -10.898 17.998 1.00 38.06 O +HETATM 4663 O HOH B 193 11.388 -11.044 24.763 1.00 39.34 O +HETATM 4664 O HOH B 194 3.735 -3.643 2.734 1.00 42.17 O +HETATM 4665 O HOH B 195 3.149 -0.692 2.083 1.00 41.40 O +HETATM 4666 O HOH B 196 4.511 -25.886 13.006 1.00 39.83 O +HETATM 4667 O HOH B 197 8.712 -21.655 3.577 1.00 43.08 O +HETATM 4668 O HOH B 198 22.926 -4.304 24.079 1.00 38.10 O +HETATM 4669 O HOH B 199 11.435 9.654 20.618 1.00 40.23 O +HETATM 4670 O HOH B 200 18.099 5.542 27.744 1.00 39.03 O +HETATM 4671 O HOH B 201 12.174 9.951 9.804 1.00 44.34 O +HETATM 4672 O HOH B 202 24.745 -2.501 15.270 1.00 39.78 O +HETATM 4673 O HOH B 203 24.231 0.100 14.764 1.00 42.94 O +HETATM 4674 O HOH B 204 23.324 -18.136 10.981 1.00 53.60 O +HETATM 4675 O HOH B 205 25.576 -22.211 6.309 1.00 45.18 O +HETATM 4676 O HOH C 143 -2.661 -3.608 9.261 1.00 21.26 O +HETATM 4677 O HOH C 144 0.111 13.200 11.373 1.00 21.54 O +HETATM 4678 O HOH C 145 -16.704 12.691 -9.201 1.00 23.30 O +HETATM 4679 O HOH C 146 -13.774 2.466 -4.032 1.00 22.15 O +HETATM 4680 O HOH C 147 5.273 9.077 14.193 1.00 28.02 O +HETATM 4681 O HOH C 148 -11.466 3.494 -0.405 1.00 32.97 O +HETATM 4682 O HOH C 149 -10.454 4.898 14.327 1.00 33.04 O +HETATM 4683 O HOH C 150 -7.824 6.701 2.273 1.00 27.40 O +HETATM 4684 O HOH C 151 -1.248 -1.596 20.098 1.00 29.84 O +HETATM 4685 O HOH C 152 2.150 -0.244 14.446 1.00 30.74 O +HETATM 4686 O HOH C 153 -2.060 18.771 19.773 1.00 29.22 O +HETATM 4687 O HOH C 154 -21.154 14.002 13.362 1.00 32.40 O +HETATM 4688 O HOH C 155 -9.105 3.030 0.663 1.00 28.46 O +HETATM 4689 O HOH C 156 0.739 12.802 4.676 1.00 38.51 O +HETATM 4690 O HOH C 157 -8.549 18.107 15.436 1.00 35.20 O +HETATM 4691 O HOH C 158 -3.358 1.489 20.400 1.00 39.88 O +HETATM 4692 O HOH C 159 -2.351 -4.643 6.766 1.00 36.39 O +HETATM 4693 O HOH C 160 -9.995 6.820 0.255 1.00 29.81 O +HETATM 4694 O HOH C 161 -1.621 21.259 16.530 1.00 33.74 O +HETATM 4695 O HOH C 162 -5.469 23.850 15.062 1.00 31.03 O +HETATM 4696 O HOH C 163 3.572 1.751 6.044 1.00 29.72 O +HETATM 4697 O HOH C 164 -12.295 6.520 21.611 1.00 31.11 O +HETATM 4698 O HOH C 165 -14.251 13.845 17.234 1.00 30.77 O +HETATM 4699 O HOH C 166 -17.414 -5.952 27.962 1.00 34.94 O +HETATM 4700 O HOH C 167 -3.547 16.435 20.027 1.00 34.58 O +HETATM 4701 O HOH C 168 -16.355 -6.652 7.174 1.00 37.69 O +HETATM 4702 O HOH C 169 -7.541 12.855 -2.773 1.00 34.39 O +HETATM 4703 O HOH C 170 -4.225 9.070 1.455 1.00 35.72 O +HETATM 4704 O HOH C 171 -25.974 -1.828 7.173 1.00 32.50 O +HETATM 4705 O HOH C 172 -9.581 -6.364 21.942 1.00 37.91 O +HETATM 4706 O HOH C 173 -14.874 4.521 23.126 1.00 36.81 O +HETATM 4707 O HOH C 174 -15.534 20.875 -10.339 1.00 37.83 O +HETATM 4708 O HOH C 175 -8.242 21.385 2.969 1.00 35.70 O +HETATM 4709 O HOH C 176 -5.634 24.523 6.954 1.00 37.22 O +HETATM 4710 O HOH C 177 -22.981 14.501 -8.660 1.00 34.30 O +HETATM 4711 O HOH C 178 -13.871 16.688 -10.143 1.00 36.92 O +HETATM 4712 O HOH C 179 -20.275 19.235 8.097 1.00 34.30 O +HETATM 4713 O HOH C 180 1.720 15.273 3.670 1.00 39.46 O +HETATM 4714 O HOH C 181 -2.824 18.993 10.315 1.00 37.49 O +HETATM 4715 O HOH C 182 -2.160 0.091 22.111 1.00 39.39 O +HETATM 4716 O HOH C 183 7.922 12.037 14.216 1.00 34.40 O +HETATM 4717 O HOH C 184 -2.698 5.986 4.174 1.00 37.01 O +HETATM 4718 O HOH C 185 6.321 10.115 3.931 1.00 35.17 O +HETATM 4719 O HOH C 186 -7.096 21.140 15.539 1.00 35.39 O +HETATM 4720 O HOH C 187 -10.581 17.364 16.459 1.00 39.95 O +HETATM 4721 O HOH C 188 -4.668 13.050 -0.747 1.00 39.36 O +HETATM 4722 O HOH C 189 -4.764 -6.228 5.515 1.00 40.89 O +HETATM 4723 O HOH C 190 4.693 12.083 7.558 1.00 40.24 O +HETATM 4724 O HOH C 191 -4.731 16.453 2.295 1.00 36.37 O +HETATM 4725 O HOH C 192 -1.055 11.866 -0.448 1.00 43.19 O +HETATM 4726 O HOH C 193 -18.517 -8.355 15.267 1.00 35.55 O +HETATM 4727 O HOH C 194 6.547 9.706 16.296 1.00 41.86 O +HETATM 4728 O HOH C 195 0.029 22.606 14.164 1.00 43.02 O +HETATM 4729 O HOH C 196 -11.367 0.306 28.463 1.00 44.30 O +HETATM 4730 O HOH C 197 -19.950 -10.635 14.301 1.00 40.17 O +HETATM 4731 O HOH C 198 -7.047 -6.324 20.098 1.00 36.98 O +HETATM 4732 O HOH C 199 -23.876 1.108 14.102 1.00 33.31 O +HETATM 4733 O HOH C 200 -34.199 8.033 11.037 1.00 40.72 O +HETATM 4734 O HOH C 201 -14.173 13.393 -8.778 1.00 43.21 O +HETATM 4735 O HOH D 149 0.061 -2.494 -16.397 1.00 18.64 O +HETATM 4736 O HOH D 150 -8.041 -19.581 -16.153 1.00 26.28 O +HETATM 4737 O HOH D 151 2.825 -3.769 -9.602 1.00 23.08 O +HETATM 4738 O HOH D 152 -2.494 -0.118 -14.151 1.00 25.33 O +HETATM 4739 O HOH D 153 -9.792 -8.060 0.750 1.00 30.48 O +HETATM 4740 O HOH D 154 -6.518 -22.534 -15.665 1.00 34.60 O +HETATM 4741 O HOH D 155 -17.398 -13.549 8.357 1.00 35.82 O +HETATM 4742 O HOH D 156 5.350 -9.378 -15.018 1.00 27.68 O +HETATM 4743 O HOH D 157 -6.300 -24.347 -19.100 1.00 35.93 O +HETATM 4744 O HOH D 158 -9.520 7.447 -21.130 1.00 40.04 O +HETATM 4745 O HOH D 159 -16.425 -5.250 -24.764 1.00 32.57 O +HETATM 4746 O HOH D 160 -7.987 -14.493 1.146 1.00 34.30 O +HETATM 4747 O HOH D 161 -3.890 0.572 -11.856 1.00 34.78 O +HETATM 4748 O HOH D 162 -29.504 -0.198 -4.474 1.00 38.63 O +HETATM 4749 O HOH D 163 -25.631 -15.732 -9.906 1.00 33.22 O +HETATM 4750 O HOH D 164 -2.623 -18.453 -21.128 1.00 35.47 O +HETATM 4751 O HOH D 165 -2.780 -19.130 -10.800 1.00 30.23 O +HETATM 4752 O HOH D 166 -25.734 -4.456 7.605 1.00 34.33 O +HETATM 4753 O HOH D 167 -11.771 -10.816 5.496 1.00 38.68 O +HETATM 4754 O HOH D 168 -9.924 0.291 -2.970 1.00 38.71 O +HETATM 4755 O HOH D 169 -25.514 -14.066 2.449 1.00 36.60 O +HETATM 4756 O HOH D 170 -5.455 -17.392 -4.316 1.00 34.43 O +HETATM 4757 O HOH D 171 2.688 -11.418 -8.564 1.00 35.73 O +HETATM 4758 O HOH D 172 7.091 -10.993 -18.224 1.00 32.39 O +HETATM 4759 O HOH D 173 -9.377 -6.399 -3.029 1.00 35.44 O +HETATM 4760 O HOH D 174 -16.565 -17.782 -17.506 1.00 41.02 O +HETATM 4761 O HOH D 175 -8.141 -3.463 -24.390 1.00 37.14 O +HETATM 4762 O HOH D 176 -16.560 -15.177 -19.016 1.00 34.89 O +HETATM 4763 O HOH D 177 3.477 -8.048 -19.033 1.00 35.94 O +HETATM 4764 O HOH D 178 -24.698 -11.573 8.724 1.00 38.01 O +HETATM 4765 O HOH D 179 2.193 -4.435 -6.557 1.00 38.51 O +HETATM 4766 O HOH D 180 -29.898 -16.926 -2.135 1.00 36.37 O +HETATM 4767 O HOH D 181 -7.374 8.034 -17.831 1.00 34.05 O +HETATM 4768 O HOH D 182 -24.015 0.401 -15.301 1.00 39.14 O +HETATM 4769 O HOH D 183 -12.141 9.790 -10.238 1.00 38.30 O +HETATM 4770 O HOH D 184 -5.765 -3.569 -23.682 1.00 36.68 O +HETATM 4771 O HOH D 185 -4.860 -9.811 -2.967 1.00 37.10 O +HETATM 4772 O HOH D 186 -23.107 -4.490 -24.359 1.00 37.97 O +HETATM 4773 O HOH D 187 -10.377 -9.632 -7.043 1.00 38.85 O +HETATM 4774 O HOH D 188 -7.871 -9.078 2.406 1.00 43.37 O +HETATM 4775 O HOH D 189 -27.610 -10.991 5.353 1.00 43.46 O +HETATM 4776 O HOH D 190 -14.034 2.806 -30.367 1.00 41.77 O +HETATM 4777 O HOH D 191 -32.905 -9.033 0.480 1.00 43.68 O +HETATM 4778 O HOH D 192 -28.749 -13.315 1.938 1.00 45.36 O +HETATM 4779 O HOH D 193 0.516 -8.074 -26.354 1.00 41.53 O +HETATM 4780 O HOH D 194 -20.080 -9.873 -22.862 1.00 36.25 O +HETATM 4781 O HOH D 195 -13.442 9.778 -13.572 1.00 39.70 O +HETATM 4782 O HOH D 196 -24.804 -2.608 -15.488 1.00 37.79 O +HETATM 4783 O HOH D 197 -1.263 -2.837 -21.251 1.00 45.10 O +CONECT 650 4431 +CONECT 1771 4475 +CONECT 2844 4518 +CONECT 3965 4562 +CONECT 4389 4393 4420 +CONECT 4390 4396 4403 +CONECT 4391 4406 4410 +CONECT 4392 4413 4417 +CONECT 4393 4389 4394 4427 +CONECT 4394 4393 4395 4398 +CONECT 4395 4394 4396 4397 +CONECT 4396 4390 4395 4427 +CONECT 4397 4395 +CONECT 4398 4394 4399 +CONECT 4399 4398 4400 +CONECT 4400 4399 4401 4402 +CONECT 4401 4400 +CONECT 4402 4400 +CONECT 4403 4390 4404 4428 +CONECT 4404 4403 4405 4407 +CONECT 4405 4404 4406 4408 +CONECT 4406 4391 4405 4428 +CONECT 4407 4404 +CONECT 4408 4405 4409 +CONECT 4409 4408 +CONECT 4410 4391 4411 4429 +CONECT 4411 4410 4412 4414 +CONECT 4412 4411 4413 4415 +CONECT 4413 4392 4412 4429 +CONECT 4414 4411 +CONECT 4415 4412 4416 +CONECT 4416 4415 +CONECT 4417 4392 4418 4430 +CONECT 4418 4417 4419 4421 +CONECT 4419 4418 4420 4422 +CONECT 4420 4389 4419 4430 +CONECT 4421 4418 +CONECT 4422 4419 4423 +CONECT 4423 4422 4424 +CONECT 4424 4423 4425 4426 +CONECT 4425 4424 +CONECT 4426 4424 +CONECT 4427 4393 4396 4431 +CONECT 4428 4403 4406 4431 +CONECT 4429 4410 4413 4431 +CONECT 4430 4417 4420 4431 +CONECT 4431 650 4427 4428 4429 +CONECT 4431 4430 +CONECT 4433 4437 4464 +CONECT 4434 4440 4447 +CONECT 4435 4450 4454 +CONECT 4436 4457 4461 +CONECT 4437 4433 4438 4471 +CONECT 4438 4437 4439 4442 +CONECT 4439 4438 4440 4441 +CONECT 4440 4434 4439 4471 +CONECT 4441 4439 +CONECT 4442 4438 4443 +CONECT 4443 4442 4444 +CONECT 4444 4443 4445 4446 +CONECT 4445 4444 +CONECT 4446 4444 +CONECT 4447 4434 4448 4472 +CONECT 4448 4447 4449 4451 +CONECT 4449 4448 4450 4452 +CONECT 4450 4435 4449 4472 +CONECT 4451 4448 +CONECT 4452 4449 4453 +CONECT 4453 4452 +CONECT 4454 4435 4455 4473 +CONECT 4455 4454 4456 4458 +CONECT 4456 4455 4457 4459 +CONECT 4457 4436 4456 4473 +CONECT 4458 4455 +CONECT 4459 4456 4460 +CONECT 4460 4459 +CONECT 4461 4436 4462 4474 +CONECT 4462 4461 4463 4465 +CONECT 4463 4462 4464 4466 +CONECT 4464 4433 4463 4474 +CONECT 4465 4462 +CONECT 4466 4463 4467 +CONECT 4467 4466 4468 +CONECT 4468 4467 4469 4470 +CONECT 4469 4468 +CONECT 4470 4468 +CONECT 4471 4437 4440 4475 +CONECT 4472 4447 4450 4475 +CONECT 4473 4454 4457 4475 +CONECT 4474 4461 4464 4475 +CONECT 4475 1771 4471 4472 4473 +CONECT 4475 4474 +CONECT 4476 4480 4507 +CONECT 4477 4483 4490 +CONECT 4478 4493 4497 +CONECT 4479 4500 4504 +CONECT 4480 4476 4481 4514 +CONECT 4481 4480 4482 4485 +CONECT 4482 4481 4483 4484 +CONECT 4483 4477 4482 4514 +CONECT 4484 4482 +CONECT 4485 4481 4486 +CONECT 4486 4485 4487 +CONECT 4487 4486 4488 4489 +CONECT 4488 4487 +CONECT 4489 4487 +CONECT 4490 4477 4491 4515 +CONECT 4491 4490 4492 4494 +CONECT 4492 4491 4493 4495 +CONECT 4493 4478 4492 4515 +CONECT 4494 4491 +CONECT 4495 4492 4496 +CONECT 4496 4495 +CONECT 4497 4478 4498 4516 +CONECT 4498 4497 4499 4501 +CONECT 4499 4498 4500 4502 +CONECT 4500 4479 4499 4516 +CONECT 4501 4498 +CONECT 4502 4499 4503 +CONECT 4503 4502 +CONECT 4504 4479 4505 4517 +CONECT 4505 4504 4506 4508 +CONECT 4506 4505 4507 4509 +CONECT 4507 4476 4506 4517 +CONECT 4508 4505 +CONECT 4509 4506 4510 +CONECT 4510 4509 4511 +CONECT 4511 4510 4512 4513 +CONECT 4512 4511 +CONECT 4513 4511 +CONECT 4514 4480 4483 4518 +CONECT 4515 4490 4493 4518 +CONECT 4516 4497 4500 4518 +CONECT 4517 4504 4507 4518 +CONECT 4518 2844 4514 4515 4516 +CONECT 4518 4517 +CONECT 4520 4524 4551 +CONECT 4521 4527 4534 +CONECT 4522 4537 4541 +CONECT 4523 4544 4548 +CONECT 4524 4520 4525 4558 +CONECT 4525 4524 4526 4529 +CONECT 4526 4525 4527 4528 +CONECT 4527 4521 4526 4558 +CONECT 4528 4526 +CONECT 4529 4525 4530 +CONECT 4530 4529 4531 +CONECT 4531 4530 4532 4533 +CONECT 4532 4531 +CONECT 4533 4531 +CONECT 4534 4521 4535 4559 +CONECT 4535 4534 4536 4538 +CONECT 4536 4535 4537 4539 +CONECT 4537 4522 4536 4559 +CONECT 4538 4535 +CONECT 4539 4536 4540 +CONECT 4540 4539 +CONECT 4541 4522 4542 4560 +CONECT 4542 4541 4543 4545 +CONECT 4543 4542 4544 4546 +CONECT 4544 4523 4543 4560 +CONECT 4545 4542 +CONECT 4546 4543 4547 +CONECT 4547 4546 +CONECT 4548 4523 4549 4561 +CONECT 4549 4548 4550 4552 +CONECT 4550 4549 4551 4553 +CONECT 4551 4520 4550 4561 +CONECT 4552 4549 +CONECT 4553 4550 4554 +CONECT 4554 4553 4555 +CONECT 4555 4554 4556 4557 +CONECT 4556 4555 +CONECT 4557 4555 +CONECT 4558 4524 4527 4562 +CONECT 4559 4534 4537 4562 +CONECT 4560 4541 4544 4562 +CONECT 4561 4548 4551 4562 +CONECT 4562 3965 4558 4559 4560 +CONECT 4562 4561 +MASTER 780 1 6 32 0 0 16 9 4779 4 180 46 +END diff --git a/lib/renderer/bench/data/4v6x.mmtf b/lib/renderer/bench/data/4v6x.mmtf new file mode 100644 index 0000000000000000000000000000000000000000..f1386eb1056633a8d6faee71bca85b2089245946 GIT binary patch literal 2224319 zcmcHiXHb@hx&~}Nh$0q56tMw<1sgU*v5Nwtf>IT*peUdqh)7XWG)2=*@4cC7dSa^S zrWi~&iRs4lVv0#jHSfXN^Zong{r9e!WA2qqqR)9==l$$Gv(_RX2L{|(TiaN zY-n8Hw6d{jeZ`#eo0AugFW%8u)mT$;U_inD@6X58RmL^0u83RRR9m(-Zo=q-xb;;l z>Kf{5EAC$Tzh5r5V*USqu?tG>UiH7<%%Aw*Z}efHWM6RczMzS#SG1hba_$K&XO3&R zwB_2(TUxfayxa16{^qPTg{duvCTF(n+85Nm<+GL_TApfovgPEKS6jBv+1EZJtL4DH zpk6IEwd`$qvt?V$*)12fywb9NUr>C@6D_-2{%g6X<+_&3*KKOqc0$YPEoUA-e_zn{ zmM_ZdTej7%U$rPBXPMEN->)uT**WC5L4?e%Fwj#T# zp>a>pxSVS2sSV=k+R5F(g z(#T{MvngT@d8`fuW+vgUN%NV~>hXEfe4aGFcbeZP&1XvUd!+e1Y5u-6zek$CH_hit z^I6h--ZY;r&1X!LCryqtpDoSrljifKt;g?^<};@G{AoT%n$MahW17#J=Ch{hBCU#Q 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