diff --git a/actions/doc/index_dev.rst b/actions/doc/index_dev.rst
index 921bf3247062d6d152b96138aee3dbdcb603a82f..ca36756d5712e6fbba279d937780bd98ab7de830 100644
--- a/actions/doc/index_dev.rst
+++ b/actions/doc/index_dev.rst
@@ -29,22 +29,11 @@ would clutter up the source repository, it would always show up as untracked
file on ``git status``. To prevent this, tell |python| to stop producing
bytecode right at the beginning of your test-script:
-.. testcode:: nobytecode
- :hide:
-
- import sys
- sys.dont_write_bytecode = True
-
-.. code-block:: python
+.. literalinclude:: ../../../tests/doc/scripts/action_test.py
+ :lines: 1-5
:emphasize-lines: 5
:linenos:
- import sys
-
- # this is needed so there will be no test_actions.pyc created in the source
- # directory
- sys.dont_write_bytecode = True
-
Line 5 does the trick. This needs to be set by you in every action unit test
file since |python| only recognises it **before** the module is imported.
Otherwise a module could disable bytecoding for all other modules loaded.
@@ -86,21 +75,10 @@ the underscore between ``do`` and ``awesome`` instead of a hyphen, that's
As a starter, we disable bytecode compilation in the script:
-.. testsetup:: actiontest
- :hide:
-
- import sys
- sys.dont_write_bytecode = True
-
-.. code-block:: python
+.. literalinclude:: ../../../tests/doc/scripts/action_test.py
+ :lines: 1-5
:linenos:
- import sys
-
- # this is needed so there will be no test_actions.pyc created in the source
- # directory
- sys.dont_write_bytecode = True
-
|cmake| Integration
--------------------------------------------------------------------------------
As always, when introducing new material to |project|, it has to be announced
@@ -134,36 +112,20 @@ tests. By spawning off from this you inherit a bunch of useful methods for your
testing. To make it work, the childclass needs to be set up properly. But
first, :file:`test_actions.py` has to be loaded as a module:
-.. testcode:: actiontest
- :hide:
-
- import test_actions
-
-.. code-block:: python
- :linenos:
+.. literalinclude:: ../../../tests/doc/scripts/action_test.py
+ :lines: 7
:lineno-start: 6
+ :linenos:
- import test_actions
-
-Now create the childclass for your action. Go for :class:`<NAME>ActionTests` as
-a naming scheme:
-
-.. testcode:: actiontest
- :hide:
-
- class DoAwesomeActionTests(test_actions.ActionTestCase):
- def __init__(self, *args, **kwargs):
- test_actions.ActionTestCase.__init__(self, *args, **kwargs)
- self.pm_action = 'do-awesome'
+To showcase, the test cases, we explain how one would (and does) test the
+``help`` action of ``pm``.
+First, we create the childclass for the action.
+Go for :class:`<NAME>ActionTests` as a naming scheme:
-.. code-block:: python
- :linenos:
+.. literalinclude:: ../../../tests/doc/scripts/action_test.py
+ :lines: 9-12
:lineno-start: 7
-
- class DoAwesomeActionTests(test_actions.ActionTestCase):
- def __init__(self, *args, **kwargs):
- test_actions.ActionTestCase.__init__(self, *args, **kwargs)
- self.pm_action = 'do-awesome'
+ :linenos:
Pay attention that in your own class, you must set :attr:`pm_action` to make
everything work. Also :meth:`__init__` needs certain parameters, as everything
@@ -176,23 +138,10 @@ states will be placed in the userlevel documentation. This topic is already
covered in :class:`test_actions.ActionTestCase` by :meth:`~ActionTestCase.RunExitStatusTest`.
As an example, testing for ``$?=0`` could work like this:
-.. testcode:: actiontest
- :hide:
-
- class DoAwesomeActionTests(test_actions.ActionTestCase):
- def __init__(self, *args, **kwargs):
- test_actions.ActionTestCase.__init__(self, *args, **kwargs)
- self.pm_action = 'do-awesome'
-
- def testExit0(self):
- self.RunExitStatusTest(0, list())
-
-.. code-block:: python
- :linenos:
+.. literalinclude:: ../../../tests/doc/scripts/action_test.py
+ :lines: 14-15
:lineno-start: 11
-
- def testExit0(self):
- self.RunExitStatusTest(0, list())
+ :linenos:
That will call the action stored in :attr:`pm_action` with the provided list of
parameters and check that ``0`` is returned on the command line.
@@ -207,33 +156,10 @@ In |project|, unit tests are run via |ost_s|_'s :mod:`ost.testutils` and |python
:class:`unittest.TestCase`. Those are called when the test module is executed
as a script:
-.. testcode:: actiontest
- :hide:
-
- import unittest
-
- class DoAwesomeActionTests(test_actions.ActionTestCase):
- def __init__(self, *args, **kwargs):
- test_actions.ActionTestCase.__init__(self, *args, **kwargs)
- self.pm_bin = os.path.join(os.getcwd(), os.pardir, 'stage', 'bin',
- 'pm')
- self.pm_action = 'help'
-
- def testExit0(self):
- self.RunExitStatusTest(0, list())
-
- if __name__ == "__builtin__":
- import os
- suite = unittest.TestLoader().loadTestsFromTestCase(DoAwesomeActionTests)
- unittest.TextTestRunner().run(suite)
-
-.. code-block:: python
- :linenos:
+.. literalinclude:: ../../../tests/doc/scripts/action_test.py
+ :lines: 17-19
:lineno-start: 13
-
- if __name__ == "__main__":
- from ost import testutils
- testutils.RunTests()
+ :linenos:
These three lines should be the same for all unit tests.
@@ -262,78 +188,17 @@ once done, disable it to keep output of unit tests low.
To get the test for exit code ``0`` talking to you, just do
-.. testcode:: actiontest
- :hide:
-
- # hack needed to see output
- ost.PushVerbosityLevel(2)
- import unittest
-
- class DoAwesomeActionTests(test_actions.ActionTestCase):
- def __init__(self, *args, **kwargs):
- test_actions.ActionTestCase.__init__(self, *args, **kwargs)
- self.pm_bin = os.path.join(os.getcwd(), os.pardir, 'stage', 'bin',
- 'pm')
- self.pm_action = 'help'
-
- def testExit0(self):
- self.RunExitStatusTest(0, list(), verbose=True)
-
- if __name__ == "__builtin__":
- import os
- suite = unittest.TestLoader().loadTestsFromTestCase(DoAwesomeActionTests)
- unittest.TextTestRunner().run(suite)
-
-.. testoutput:: actiontest
- :hide:
- :options: +NORMALIZE_WHITESPACE +ELLIPSIS
-
- stdout of '.../doc/../stage/bin/pm help'
- ------
- Following actions are available:
- build-rawmodel
- help
- Each action should respond to "--help".
- ------
- stderr of '.../doc/../stage/bin/pm help'
- ------
- ------
-
-.. code-block:: python
- :linenos:
+.. literalinclude:: ../../../tests/doc/scripts/action_test_verbose.py
+ :lines: 14-15
:lineno-start: 11
-
- def testExit0(self):
- self.RunExitStatusTest(0, list(), verbose=True)
+ :linenos:
and
-.. testcode:: actiontest
- :hide:
-
- import unittest
-
- class DoAwesomeActionTests(test_actions.ActionTestCase):
- def __init__(self, *args, **kwargs):
- test_actions.ActionTestCase.__init__(self, *args, **kwargs)
- self.pm_bin = os.path.join(os.getcwd(), os.pardir, 'stage', 'bin',
- 'pm')
- self.pm_action = 'help'
-
- def testExit0(self):
- self.RunExitStatusTest(0, list())
-
- if __name__ == "__builtin__":
- import os
- suite = unittest.TestLoader().loadTestsFromTestCase(DoAwesomeActionTests)
- unittest.TextTestRunner().run(suite)
-
-.. code-block:: python
- :linenos:
+.. literalinclude:: ../../../tests/doc/scripts/action_test.py
+ :lines: 14-15
:lineno-start: 11
-
- def testExit0(self):
- self.RunExitStatusTest(0, list())
+ :linenos:
keeps it silent (:attr:`verbose` is set to ``False`` by default). If enabled,
output will be separated into :file:`stdout` and :file:`stderr`:
@@ -342,7 +207,7 @@ output will be separated into :file:`stdout` and :file:`stderr`:
$ make test_action_do_awesome.py_run
<Lots of output from the build process>
- [100%] running checks test_action_do_awesome.py
+ running checks test_action_do_awesome.py
stdout of '<BUILD>/stage/bin/pm do-awesome'
------
<Output to stdout>
@@ -351,6 +216,7 @@ output will be separated into :file:`stdout` and :file:`stderr`:
------
<Output to stderr>
------
+ <More output from unit test runner>
--------------------------------------------------------------------------------
Unit Test Actions API
diff --git a/core/doc/pm3argparse.rst b/core/doc/pm3argparse.rst
index 1da913d23a33b67aac068eaa8d63d92e2940e98b..665d1f03a23a3de95fcb70d0b57f815fb6363ba3 100644
--- a/core/doc/pm3argparse.rst
+++ b/core/doc/pm3argparse.rst
@@ -36,10 +36,10 @@ input.
.. doctest:: pm3argparse
- '''
+ """
Place the description of your script right in the file and import
it via '__doc__' as description to the parser ('-h', '--help').
- '''
+ """
from promod3.core import pm3argparse
diff --git a/doc/CMakeLists.txt b/doc/CMakeLists.txt
index d787e2878861bef02f4454c83fae95bdb3a884f9..e7baf70e3bad5b90cdf9fdd22b392e8122608e90 100644
--- a/doc/CMakeLists.txt
+++ b/doc/CMakeLists.txt
@@ -173,3 +173,5 @@ install(DIRECTORY ${_SPHINX_MAN_DIR} DESTINATION "share/promod3")
# add documentation tests
add_subdirectory(tests)
+# TODO (GT): put this in a good place and ensure doc is rebuilt when this changes...
+add_dependencies(doc test_data_doc)
\ No newline at end of file
diff --git a/doc/contributing.rst b/doc/contributing.rst
index 049b0d6d2ce50d90d8c13430b7d1da36a6123368..dda02e86434a10efee8bf4645651bf17f8486b6b 100644
--- a/doc/contributing.rst
+++ b/doc/contributing.rst
@@ -301,12 +301,12 @@ tell you for which branch you went, a story of failure otherwise.
$
Sitting on top of the right code basis, you should just spawn your own branch
-from it. As an example, your feature will go by the name of 'sidechains'.
+from it. As an example, your feature will go by the name of 'sidechain'.
.. code-block:: console
- $ git checkout -b sidechains
- Switched to a new branch 'sidechains'
+ $ git checkout -b sidechain
+ Switched to a new branch 'sidechain'
$
This time, |git| should tell you about going for **a new** branch.
@@ -327,9 +327,9 @@ list of directories which are likely to be used in every project.
.. code-block:: console
- $ mkdir -p sidechains/doc
- $ mkdir -p sidechains/pymod
- $ mkdir -p sidechains/tests
+ $ mkdir -p sidechain/doc
+ $ mkdir -p sidechain/pymod
+ $ mkdir -p sidechain/tests
$
If you run ``git status`` at this point, you will see basically nothing. That
@@ -338,9 +338,9 @@ version control, create a couple of files which are always needed.
.. code-block:: console
- $ touch sidechains/pymod/__init__.py
- $ echo ":mod:\`~promod3.sidechains\` - ProMod3 side chain optimiser" >> sidechains/doc/index.rst
- $ echo "================================================================================" >> sidechains/doc/index.rst
+ $ touch sidechain/pymod/__init__.py
+ $ echo ":mod:\`~promod3.sidechain\` - ProMod3 side chain optimiser" >> sidechain/doc/index.rst
+ $ echo "================================================================================" >> sidechain/doc/index.rst
$
Having an empty :file:`__init__.py` is perfectly fine for |python|, it just
@@ -354,13 +354,13 @@ extending some around the directory root.
.. code-block:: console
- $ touch sidechains/CMakeLists.txt
- $ touch sidechains/pymod/CMakeLists.txt
- $ touch sidechains/doc/CMakeLists.txt
+ $ touch sidechain/CMakeLists.txt
+ $ touch sidechain/pymod/CMakeLists.txt
+ $ touch sidechain/doc/CMakeLists.txt
$
Each of those files still needs a bit of content. The simplest one comes from
-the module's root, :file:`sidechains/CMakeLists.txt`:
+the module's root, :file:`sidechain/CMakeLists.txt`:
.. code-block:: cmake
:linenos:
@@ -376,11 +376,11 @@ configurations. The next level in :file:`CMakeLists.txt` magic comes for the
.. code-block:: cmake
:linenos:
- set(SIDECHAINS_RST
+ set(SIDECHAIN_RST
index.rst
)
- add_doc_source(NAME sidechains RST ${SIDECHAINS_RST})
+ add_doc_source(NAME sidechain RST ${SIDECHAIN_RST})
``add_doc_source`` is our custom |cmake| macro to register
|restructuredtext_abrv| files for the documentation. On running
@@ -388,7 +388,7 @@ configurations. The next level in :file:`CMakeLists.txt` magic comes for the
within the build directory. Each new submodule in your project should be
covered by its own documentation entity, extending the list in ``RST``.
Maintaining readability, its good practice to store this list in a separate
-variable, called ``SIDECHAINS_RST`` here.
+variable, called ``SIDECHAIN_RST`` here.
For the actual code, you should keep in mind that a |python| module may be
rather complex. There is for sure |python| code, there could be a bit of |C++|
@@ -401,16 +401,16 @@ a couple of examples around in this repository. Here is the most basic
.. code-block:: cmake
:linenos:
- set(SIDECHAINS_PYMOD
+ set(SIDECHAIN_PYMOD
__init__.py
)
- pymod(NAME sidechains PY ${SIDECHAINS_PYMOD})
+ pymod(NAME sidechain PY ${SIDECHAIN_PYMOD})
Source files should be again listed in a dedicated variable. Later, you
probably add some |C++| code and settings diverging from the defaults via the
``pymod`` macro. This is where things clutter up quite quickly. As set up here,
-your project would be added as a module ``sidechains`` in the |project|
+your project would be added as a module ``sidechain`` in the |project|
|python| package tree.
The final step towards |cmake| is to register your module's directory in the
@@ -418,131 +418,26 @@ top level :file:`CMakeLists.txt`:
.. code-block:: cmake
:linenos:
- :emphasize-lines: 104
-
- #-------------------------------------------------------------------------------
- # Author: Bienchen
- #-------------------------------------------------------------------------------
- # Options to CMake:
- # DISABLE_DOCUMENTATION: Don't build documentation, don't search for Sphinx
- # DISABLE_DOCTEST: Don't run example code from documentation on 'make check'
- # DISABLE_LINKCHECK: Don't test links from documentation on 'make check'
- # (if documentation is disabled, there is no doctest, linkcheck at all)
- cmake_minimum_required(VERSION 2.6.4 FATAL_ERROR)
- set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} ${CMAKE_SOURCE_DIR}/cmake_support)
-
- project(ProMod3 CXX C)
-
- include(PROMOD3)
-
- set(PROMOD3_VERSION_MAJOR 0)
- set(PROMOD3_VERSION_MINOR 1)
- set(PROMOD3_VERSION_PATCH 0)
- set(PROMOD3_VERSION_STRING ${PROMOD3_VERSION_MAJOR}.${PROMOD3_VERSION_MINOR}.${PROMOD3_VERSION_PATCH})
-
- option(DISABLE_DOCUMENTATION "Do not build documentation" OFF)
- option(DISABLE_DISABLE_DOCTEST "Do not check examples in documentation" OFF)
- option(DISABLE_DISABLE_LINKCHECK "Do not check links in the documentation" OFF)
-
- if (CMAKE_COMPILER_IS_GNUCXX)
- exec_program(gcc ARGS --version OUTPUT_VARIABLE CMAKE_C_COMPILER_VERSION)
- if(CMAKE_C_COMPILER_VERSION MATCHES ".*4\\.[5-9].*")
- set(PROMOD_GCC_45 true)
- else()
- set(PROMOD_GCC_45 false)
- endif()
- endif()
-
- if (OPTIMIZE)
- set(CMAKE_BUILD_TYPE Release)
- set(_OPT ON)
- else()
- set(CMAKE_BUILD_TYPE Debug)
- set(_OPT OFF)
- endif()
-
- setup_stage()
- file(MAKE_DIRECTORY ${STAGE_DIR}
- ${EXECUTABLE_OUTPUT_PATH}
- ${HEADER_STAGE_PATH}
- ${LIB_STAGE_PATH}
- ${LIBEXEC_STAGE_PATH})
-
- setup_compiler_flags()
- setup_boost()
-
- find_package(Python 2.7 REQUIRED)
- if(NOT DISABLE_DOCUMENTATION)
- find_package(Sphinx ${PYTHON_VERSION} REQUIRED)
- set(PYTHON_DOC_URL "https://docs.python.org/${PYTHON_VERSION}")
- # set this to the URL corresponding to the version of OST you are using
- set(OST_DOC_URL "http://www.openstructure.org/docs/1.3")
- endif()
- find_package(OPENSTRUCTURE 1.4 REQUIRED
- COMPONENTS io mol seq seq_alg mol_alg conop)
- find_package(QMEAN 1.0 REQUIRED)
-
-
- #The KIC loop closing algorithm requires a solver for a generalised eigen
- #problem. Eigen3 would provide such a solver, but only allows to extract
- #the resulting eigenvalues and not the eigenvectors.
- #As soon as there is an Eigen3 release with the required functionality,
- #The Lapack dependency can be dropped.
- find_package(LAPACK)
-
- if (CMAKE_COMPILER_IS_GNUCXX)
- # do not write back into cache, otherwise the compile command line gets
- # expanded with multiple -fno-strict-aliasing flags, triggering a complete
- # rebuild whenever cmake is run
- set(CMAKE_CXX_FLAGS_RELEASE "${CMAKE_CXX_FLAGS_RELEASE} -fno-strict-aliasing")
- if("${CMAKE_CXX_COMPILER_VERSION}" VERSION_GREATER "4.6")
- set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wno-attributes")
- endif("${CMAKE_CXX_COMPILER_VERSION}" VERSION_GREATER "4.6")
- endif()
-
- # additional packages/ headers/ etc.
- # Eigen3 is mandatory right now but may vanish once OST switches to the same
- # version.
- find_package(Eigen3 3.2.1 REQUIRED)
- if(NOT EIGEN3_FOUND)
- message(FATAL_ERROR "Eigen3 is essential for building ${PROJECT_NAME}.")
- endif()
-
- # basic environment
- include_directories(${Boost_INCLUDE_DIRS}
- ${OST_INCLUDE_DIR}
- ${QMEAN_INCLUDE_DIR}
- ${EIGEN3_INCLUDE_DIR})
-
- set(FILES_TO_BE_REMOVED ${PROJECT_BINARY_DIR}/stage)
- set_directory_properties(PROPERTIES ADDITIONAL_MAKE_CLEAN_FILES
- "${FILES_TO_BE_REMOVED}")
+ :emphasize-lines: 8
+
+ ## <lots of cmake commands...>
## sub dirs to be recognised by CMake
## e.g. add_subdirectory(src), subdirs have their own CMakeLists.txt
add_subdirectory(config)
add_subdirectory(core)
add_subdirectory(modelling)
- add_subdirectory(sidechains)
+ add_subdirectory(sidechain)
add_subdirectory(loop)
add_subdirectory(scripts)
add_subdirectory(actions)
add_subdirectory(extras)
- if(NOT DISABLE_DOCUMENTATION)
- add_changelog_to_doc(FILE "${CMAKE_CURRENT_SOURCE_DIR}/CHANGELOG")
- add_subdirectory(doc)
- endif()
-
- ## report setup
- message(STATUS "${PROJECT_NAME} will be built with the following options:\n"
- " OpenStructure (-DOST_ROOT) : ${OST_ROOT}\n"
- " QMEAN (-DQMEAN_ROOT) : ${QMEAN_ROOT}\n"
- " Optimized (-DOPTIMIZE) : ${_OPT}\n"
- " Python : ${PYTHON_BINARY}\n"
- " Eigen3 : ${EIGEN3_INCLUDE_DIR}\n")
+ add_subdirectory(cmake_support)
+
+ ## <lots of cmake commands...>
All that needs to be done for |cmake| to recognise your module is adding its
-directory as shown in line 104.
+directory as shown in line 8.
This was the final step to set up the build system. Running |cmake| at this
point would create the build environment in place. But building software in
@@ -583,52 +478,24 @@ good practice to develop new functionality along tests and that right from the
beginning. At some point, new code needs testing anyway to see if it does what
it should, so just do this by writing unit tests. Test sources are stored in
files with a prefix :file:`test_` and usually come per submodule instead of
-sporting a single monolithic :file:`test_sidechains.py`.
-
-|python| code is evaluated using its own
-:py_docs:`unit testing framework <library/unittest.html>` with a little help
-from |ost_s|_ (|C++| uses the |boost| `Test Library <http://www.boost.org/doc/libs/1_47_0/libs/test/doc/html/index.html>`_).
-The basic scheme is to import your module, subclass :class:`unittest.TestCase`
-and make the whole file runnable as script using the most common |nameattr|_
-attribute. A file :file:`tests/test_something.py` could look like this,
-carrying a single test case:
-
-.. testcode:: promod3unittest
- :hide:
-
- import unittest
-
- class something():
- @staticmethod
- def Else():
- return 1
-
- class SomethingTests(unittest.TestCase):
- def testFileExistsFalse(self):
- self.assertEquals(something.Else(), 1)
-
- if __name__ == "__builtin__":
- suite = unittest.TestLoader().loadTestsFromTestCase(SomethingTests)
- unittest.TextTestRunner().run(suite)
-
-.. code-block:: python
+sporting a single monolithic :file:`test_sidechain.py`.
+
+|python| code is evaluated using its own :py_docs:`unit testing framework
+<library/unittest.html>` with a little help from |ost_s|_ (|C++| uses the
+|boost| `Test Library
+<http://www.boost.org/doc/libs/1_47_0/libs/test/doc/html/index.html>`_). The
+basic scheme is to import your module, subclass :class:`unittest.TestCase` and
+make the whole file runnable as script using the most common |nameattr|_
+attribute. As an example we test the :func:`promod3.sidechain.Reconstruct`
+function:
+
+.. literalinclude:: ../../tests/doc/scripts/unittest_sidechain.py
:linenos:
- import unittest
- from promod3.sidechains import something
-
- class SomethingTests(unittest.TestCase):
- def testFileExistsFalse(self):
- self.assertEquals(something.Else(), 1)
-
- if __name__ == "__main__":
- from ost import testutils
- testutils.RunTests()
-
To hook up your tests with ``make codetest`` (and to create a
-``test_something.py_run`` target), everything has to be introduced to |cmake|.
+``test_reconstruct.py_run`` target), everything has to be introduced to |cmake|.
First, tell |cmake| to search :file:`tests` for a :file:`CMakeLists.txt` file
-by extending the list of sub-directories in :file:`sidechains/CMakeLists.txt`:
+by extending the list of sub-directories in :file:`sidechain/CMakeLists.txt`:
.. code-block:: cmake
:linenos:
@@ -637,21 +504,31 @@ by extending the list of sub-directories in :file:`sidechains/CMakeLists.txt`:
add_subdirectory(doc)
add_subdirectory(tests)
-Then fill :file:`sidechains/tests/CMakeLists.txt` with your new test script and
+Then fill :file:`sidechain/tests/CMakeLists.txt` with your new test script and
``make`` will recognise the changes next time it is run and fix the rest for
you.
.. code-block:: cmake
:linenos:
- set(SIDECHAINS_UNIT_TESTS
- test_something.py
- )
+ set(SIDECHAIN_UNIT_TESTS
+ test_reconstruct.py
+ )
+
+ set(SIDECHAIN_TEST_DATA
+ data/1eye.pdb
+ data/1eye_rec.pdb
+ )
- promod3_unittest(MODULE sidechains SOURCES "${SIDECHAINS_UNIT_TESTS}")
+ promod3_unittest(MODULE sidechain
+ SOURCES "${SIDECHAIN_UNIT_TESTS}"
+ DATA "${SIDECHAIN_TEST_DATA}")
+
+Note how we listed the test data that we require in the unit test by defining
+``SIDECHAIN_TEST_DATA``.
Now tests should be available by ``make check``, ``make codetest`` and
-``make test_something.py_run``.
+``make test_reconstruct.py_run``.
--------------------------------------------------------------------------------
How To Start Your Own Action
@@ -706,57 +583,7 @@ Just add your action with its full filename with a call to
Before coding your action, lets set up unit tests for it. Usually when adding
features, you will immediately try them, check that everything works as
intended, etc.. |project| helps you automatising those tests so its rather easy
-to check later, if code changes break anything. Start with a file
-:file:`actions/tests/test_action_awesome.py`:
-
-.. testcode:: contribute_action
- :hide:
-
- import sys
- sys.dont_write_bytecode = True
-
- import test_actions
- import unittest
-
- class DoAwesomeActionTests(test_actions.ActionTestCase):
- def __init__(self, *args, **kwargs):
- test_actions.ActionTestCase.__init__(self, *args, **kwargs)
- self.pm_bin = os.path.join(os.getcwd(), os.pardir, 'stage', 'bin',
- 'pm')
- self.pm_action = 'help'
-
- def testExit0(self):
- self.RunExitStatusTest(0, list())
-
- if __name__ == "__builtin__":
- import os
- suite = unittest.TestLoader().loadTestsFromTestCase(DoAwesomeActionTests)
- unittest.TextTestRunner().run(suite)
-
-.. code-block:: python
- :linenos:
-
- import sys
-
- # this is needed so there will be no test_actions.pyc created in the source
- # directory
- sys.dont_write_bytecode = True
-
- import test_actions
-
- class AwesomeActionTests(test_actions.ActionTestCase):
- def __init__(self, *args, **kwargs):
- test_actions.ActionTestCase.__init__(self, *args, **kwargs)
- self.pm_action = 'awesome'
-
- def testExit0(self):
- self.RunExitStatusTest(0, list())
-
- if __name__ == "__main__":
- from ost import testutils
- testutils.RunTests()
-
-Please note that for actions we are using
+to check later, if code changes break anything. For actions, we are using
:class:`test_actions.ActionTestCase <test_actions>` instead of
:class:`unittest.TestCase`. Since testing has a lot in common for different
actions, we decided to put up a little wrapper around this subject. See the
@@ -828,12 +655,12 @@ contributions to web pages using |project|.
.. _pylint: http://www.pylint.org
.. LocalWords: cmake hotfix doctest linkcheck rebase BRANCHNAME rebasing py
.. LocalWords: CMakeLists txt rst pymod init submodule src restructuredtext
-.. LocalWords: makefiles formatters Changelog codetest promod sidechains io
+.. LocalWords: makefiles formatters Changelog codetest promod sidechain io
.. LocalWords: mkdir linenos subdirectory abrv emphasize CXX GNUCXX gcc fno
.. LocalWords: ARGS endif OPTIMIZE LIBEXEC Wno DIRS dirs subdirs config dbg
.. LocalWords: changelog Optimized DOPTIMIZE gitignore cd conf subtree attr
-.. LocalWords: unittest TestCase nameattr testcode staticmethod builtin cp
-.. LocalWords: SomethingTests testFileExistsFalse testutils RunTests DQMEAN
+.. LocalWords: unittest TestCase nameattr staticmethod builtin cp
+.. LocalWords: testFileExistsFalse testutils RunTests DQMEAN
.. LocalWords: pre API inline CMake hh ProMod Bienchen OST OPENSTRUCTURE os
.. LocalWords: mol alg conop QMEAN KIC eigen eigenvectors Lapack
.. LocalWords: OpenStructure ost pylint chmod sys pyc dont bytecode args
diff --git a/doc/tests/CMakeLists.txt b/doc/tests/CMakeLists.txt
index 9f7abb8a7b53b35fcb25ed1eef17a6340f8879ae..d96229b0eea655367c5c85224363e7fa4b310dd5 100644
--- a/doc/tests/CMakeLists.txt
+++ b/doc/tests/CMakeLists.txt
@@ -5,7 +5,21 @@ set(DOC_UNIT_TESTS
set(DOC_TEST_DATA
data/1crn.fasta
data/1crn_cut.pdb
+ data/1eye.pdb
+ data/1eye_rec.pdb
+ data/gly.pdb
+
+ scripts/action_test.py
+ scripts/action_test_verbose.py
+
+ scripts/unittest_sidechain.py
+
scripts/modelling_all.py
+ scripts/modelling_steps.py
+ scripts/modelling_merge_gaps_by_distance.py
+ scripts/modelling_close_small_deletions.py
+ scripts/modelling_fill_loops_by_database.py
+ scripts/modelling_fill_loops_by_monte_carlo.py
)
promod3_unittest(MODULE doc
@@ -13,6 +27,7 @@ promod3_unittest(MODULE doc
DATA "${DOC_TEST_DATA}"
)
-# TODO (GT): check what NAME to pass here!
-add_doc_dependency(NAME modelling
- DEP test_data_doc)
+# extra manual copy of test_actions.py (as it is in different folder)
+copy_if_different("${CMAKE_CURRENT_SOURCE_DIR}/../../actions/tests"
+ "${CMAKE_BINARY_DIR}/tests/doc/scripts" "test_actions.py"
+ TARGETS "test_data_doc")
diff --git a/doc/tests/data/1eye.pdb b/doc/tests/data/1eye.pdb
new file mode 100644
index 0000000000000000000000000000000000000000..0663b38b183e03f7a46ec72673ea09b850fc0264
--- /dev/null
+++ b/doc/tests/data/1eye.pdb
@@ -0,0 +1,1849 @@
+ATOM 1 N PRO A 5 45.592 -10.864 30.192 1.00 34.54 N
+ATOM 2 CA PRO A 5 44.171 -10.936 30.504 1.00 36.98 C
+ATOM 3 C PRO A 5 43.719 -9.688 31.278 1.00 38.74 C
+ATOM 4 O PRO A 5 44.410 -9.176 32.157 1.00 47.18 O
+ATOM 5 CB PRO A 5 43.983 -12.204 31.344 1.00 33.75 C
+ATOM 6 CG PRO A 5 45.353 -12.505 31.938 1.00 34.50 C
+ATOM 7 CD PRO A 5 46.369 -11.645 31.190 1.00 33.40 C
+ATOM 8 N VAL A 6 42.568 -9.163 30.911 1.00 19.03 N
+ATOM 9 CA VAL A 6 42.020 -7.964 31.504 1.00 15.24 C
+ATOM 10 C VAL A 6 40.707 -8.290 32.173 1.00 17.57 C
+ATOM 11 O VAL A 6 39.837 -8.907 31.570 1.00 21.63 O
+ATOM 12 CB VAL A 6 41.759 -6.950 30.407 1.00 17.99 C
+ATOM 13 CG1 VAL A 6 40.935 -5.789 30.923 1.00 19.06 C
+ATOM 14 CG2 VAL A 6 43.083 -6.452 29.838 1.00 22.94 C
+ATOM 15 N GLN A 7 40.559 -7.894 33.411 1.00 14.13 N
+ATOM 16 CA GLN A 7 39.331 -8.179 34.136 1.00 13.37 C
+ATOM 17 C GLN A 7 38.234 -7.222 33.742 1.00 13.37 C
+ATOM 18 O GLN A 7 38.467 -6.042 33.560 1.00 19.45 O
+ATOM 19 CB GLN A 7 39.503 -8.035 35.656 1.00 11.59 C
+ATOM 20 CG GLN A 7 40.413 -9.094 36.290 1.00 22.84 C
+ATOM 21 CD GLN A 7 39.679 -10.399 36.285 1.00 57.24 C
+ATOM 22 OE1 GLN A 7 38.574 -10.490 36.840 1.00 52.65 O
+ATOM 23 NE2 GLN A 7 40.199 -11.331 35.495 1.00 38.04 N
+ATOM 24 N VAL A 8 37.022 -7.731 33.632 1.00 13.01 N
+ATOM 25 CA VAL A 8 35.899 -6.883 33.289 1.00 12.55 C
+ATOM 26 C VAL A 8 35.022 -6.804 34.524 1.00 15.27 C
+ATOM 27 O VAL A 8 34.542 -7.834 35.002 1.00 12.40 O
+ATOM 28 CB VAL A 8 35.117 -7.396 32.068 1.00 14.95 C
+ATOM 29 CG1 VAL A 8 33.918 -6.482 31.765 1.00 11.56 C
+ATOM 30 CG2 VAL A 8 36.080 -7.377 30.896 1.00 12.99 C
+ATOM 31 N MET A 9 34.891 -5.580 35.046 1.00 12.14 N
+ATOM 32 CA MET A 9 34.089 -5.321 36.231 1.00 11.17 C
+ATOM 33 C MET A 9 32.823 -4.600 35.794 1.00 11.00 C
+ATOM 34 O MET A 9 32.847 -3.474 35.320 1.00 10.21 O
+ATOM 35 CB MET A 9 34.915 -4.522 37.260 1.00 11.43 C
+ATOM 36 CG MET A 9 34.107 -4.064 38.464 1.00 13.06 C
+ATOM 37 SD MET A 9 35.026 -2.824 39.457 1.00 19.63 S
+ATOM 38 CE MET A 9 36.230 -3.896 40.272 1.00 16.50 C
+ATOM 39 N GLY A 10 31.698 -5.282 35.910 1.00 10.62 N
+ATOM 40 CA GLY A 10 30.429 -4.701 35.496 1.00 11.61 C
+ATOM 41 C GLY A 10 29.786 -3.928 36.616 1.00 14.27 C
+ATOM 42 O GLY A 10 29.772 -4.390 37.744 1.00 14.36 O
+ATOM 43 N VAL A 11 29.276 -2.755 36.279 1.00 15.46 N
+ATOM 44 CA VAL A 11 28.652 -1.824 37.218 1.00 13.01 C
+ATOM 45 C VAL A 11 27.193 -2.131 37.518 1.00 19.28 C
+ATOM 46 O VAL A 11 26.371 -2.245 36.597 1.00 13.08 O
+ATOM 47 CB VAL A 11 28.765 -0.384 36.695 1.00 10.97 C
+ATOM 48 CG1 VAL A 11 28.094 0.588 37.668 1.00 10.17 C
+ATOM 49 CG2 VAL A 11 30.235 -0.028 36.566 1.00 11.11 C
+ATOM 50 N LEU A 12 26.879 -2.238 38.819 1.00 12.43 N
+ATOM 51 CA LEU A 12 25.512 -2.482 39.238 1.00 16.16 C
+ATOM 52 C LEU A 12 25.129 -1.444 40.276 1.00 21.86 C
+ATOM 53 O LEU A 12 25.420 -1.599 41.460 1.00 17.10 O
+ATOM 54 CB LEU A 12 25.308 -3.917 39.771 1.00 19.35 C
+ATOM 55 CG LEU A 12 23.890 -4.241 40.253 1.00 13.57 C
+ATOM 56 CD1 LEU A 12 22.850 -4.000 39.164 1.00 16.69 C
+ATOM 57 CD2 LEU A 12 23.879 -5.709 40.672 1.00 18.28 C
+ATOM 58 N ASN A 13 24.530 -0.356 39.792 1.00 20.07 N
+ATOM 59 CA ASN A 13 24.127 0.754 40.647 1.00 20.08 C
+ATOM 60 C ASN A 13 22.823 0.409 41.287 1.00 27.37 C
+ATOM 61 O ASN A 13 21.805 0.289 40.598 1.00 25.79 O
+ATOM 62 CB ASN A 13 23.945 2.064 39.859 1.00 29.84 C
+ATOM 63 CG ASN A 13 25.258 2.783 39.709 1.00 57.52 C
+ATOM 64 OD1 ASN A 13 25.628 3.205 38.598 1.00 79.53 O
+ATOM 65 ND2 ASN A 13 25.971 2.892 40.818 1.00 84.70 N
+ATOM 66 N VAL A 14 22.866 0.219 42.591 1.00 20.77 N
+ATOM 67 CA VAL A 14 21.639 -0.157 43.253 1.00 26.59 C
+ATOM 68 C VAL A 14 20.898 1.039 43.832 1.00 43.97 C
+ATOM 69 O VAL A 14 19.894 0.894 44.535 1.00 44.07 O
+ATOM 70 CB VAL A 14 21.834 -1.310 44.228 1.00 29.30 C
+ATOM 71 CG1 VAL A 14 22.197 -2.582 43.471 1.00 28.10 C
+ATOM 72 CG2 VAL A 14 23.022 -0.961 45.095 1.00 36.14 C
+ATOM 73 N THR A 15 21.392 2.232 43.509 1.00 44.44 N
+ATOM 74 CA THR A 15 20.744 3.440 43.977 1.00 44.49 C
+ATOM 75 C THR A 15 19.716 3.899 42.969 1.00 50.20 C
+ATOM 76 O THR A 15 19.565 3.388 41.866 1.00 49.81 O
+ATOM 77 CB THR A 15 21.729 4.606 44.158 1.00 43.16 C
+ATOM 78 OG1 THR A 15 21.923 5.251 42.914 1.00 46.58 O
+ATOM 79 CG2 THR A 15 23.056 4.092 44.686 1.00 44.24 C
+ATOM 80 N ASP A 16 18.966 4.887 43.353 1.00 50.29 N
+ATOM 81 CA ASP A 16 18.062 5.408 42.378 1.00 53.32 C
+ATOM 82 C ASP A 16 18.721 6.751 42.209 1.00 52.77 C
+ATOM 83 O ASP A 16 19.152 7.375 43.180 1.00 66.38 O
+ATOM 84 CB ASP A 16 16.566 5.386 42.750 1.00 62.05 C
+ATOM 85 CG ASP A 16 16.147 6.450 43.728 1.00100.00 C
+ATOM 86 OD1 ASP A 16 16.781 6.721 44.731 1.00100.00 O
+ATOM 87 OD2 ASP A 16 14.984 6.993 43.414 1.00100.00 O
+ATOM 88 N ASP A 17 18.955 7.154 40.998 1.00 29.49 N
+ATOM 89 CA ASP A 17 19.656 8.398 40.793 1.00 24.01 C
+ATOM 90 C ASP A 17 19.332 8.950 39.417 1.00 25.36 C
+ATOM 91 O ASP A 17 19.627 8.322 38.386 1.00 21.31 O
+ATOM 92 CB ASP A 17 21.162 8.139 40.929 1.00 22.33 C
+ATOM 93 CG ASP A 17 22.039 9.183 40.298 1.00 37.09 C
+ATOM 94 OD1 ASP A 17 21.682 10.319 40.037 1.00 39.70 O
+ATOM 95 OD2 ASP A 17 23.261 8.752 40.104 1.00 51.36 O
+ATOM 96 N SER A 18 18.714 10.125 39.422 1.00 23.84 N
+ATOM 97 CA SER A 18 18.310 10.790 38.196 1.00 21.44 C
+ATOM 98 C SER A 18 19.422 10.995 37.184 1.00 20.28 C
+ATOM 99 O SER A 18 19.199 10.936 35.974 1.00 23.17 O
+ATOM 100 CB SER A 18 17.660 12.112 38.522 1.00 22.20 C
+ATOM 101 OG SER A 18 16.540 11.837 39.326 1.00 23.13 O
+ATOM 102 N PHE A 19 20.614 11.256 37.700 1.00 15.42 N
+ATOM 103 CA PHE A 19 21.755 11.524 36.870 1.00 16.54 C
+ATOM 104 C PHE A 19 22.583 10.297 36.588 1.00 18.93 C
+ATOM 105 O PHE A 19 23.684 10.424 36.071 1.00 20.37 O
+ATOM 106 CB PHE A 19 22.650 12.579 37.570 1.00 20.74 C
+ATOM 107 CG PHE A 19 21.946 13.912 37.751 1.00 22.62 C
+ATOM 108 CD1 PHE A 19 21.105 14.138 38.844 1.00 26.27 C
+ATOM 109 CD2 PHE A 19 22.113 14.923 36.805 1.00 13.81 C
+ATOM 110 CE1 PHE A 19 20.450 15.363 38.984 1.00 27.67 C
+ATOM 111 CE2 PHE A 19 21.465 16.152 36.928 1.00 20.21 C
+ATOM 112 CZ PHE A 19 20.629 16.364 38.023 1.00 21.66 C
+ATOM 113 N SER A 20 22.089 9.126 36.926 1.00 16.47 N
+ATOM 114 CA SER A 20 22.896 7.916 36.741 1.00 17.38 C
+ATOM 115 C SER A 20 23.557 7.736 35.383 1.00 24.54 C
+ATOM 116 O SER A 20 22.957 8.057 34.346 1.00 22.42 O
+ATOM 117 CB SER A 20 22.105 6.658 37.082 1.00 24.19 C
+ATOM 118 OG SER A 20 22.859 5.492 36.790 1.00 29.14 O
+ATOM 119 N ASP A 21 24.783 7.186 35.428 1.00 16.63 N
+ATOM 120 CA ASP A 21 25.551 6.862 34.233 1.00 15.29 C
+ATOM 121 C ASP A 21 25.074 5.509 33.720 1.00 26.33 C
+ATOM 122 O ASP A 21 25.320 5.103 32.587 1.00 23.07 O
+ATOM 123 CB ASP A 21 27.061 6.722 34.518 1.00 14.38 C
+ATOM 124 CG ASP A 21 27.685 8.085 34.493 1.00 28.20 C
+ATOM 125 OD1 ASP A 21 27.115 9.059 34.054 1.00 33.88 O
+ATOM 126 OD2 ASP A 21 28.834 8.165 35.086 1.00 25.31 O
+ATOM 127 N GLY A 22 24.401 4.733 34.542 1.00 24.13 N
+ATOM 128 CA GLY A 22 24.035 3.486 33.957 1.00 24.94 C
+ATOM 129 C GLY A 22 23.183 2.600 34.794 1.00 47.38 C
+ATOM 130 O GLY A 22 23.705 1.883 35.659 1.00 50.35 O
+ATOM 131 N GLY A 23 21.893 2.684 34.444 1.00 48.87 N
+ATOM 132 CA GLY A 23 20.810 1.925 35.041 1.00 51.44 C
+ATOM 133 C GLY A 23 20.746 1.981 36.563 1.00 58.33 C
+ATOM 134 O GLY A 23 21.749 1.981 37.282 1.00 48.14 O
+ATOM 135 N CYS A 24 19.510 2.026 37.036 1.00 67.25 N
+ATOM 136 CA CYS A 24 19.219 2.072 38.450 1.00 74.94 C
+ATOM 137 C CYS A 24 18.489 0.811 38.844 1.00 81.18 C
+ATOM 138 O CYS A 24 17.296 0.669 38.572 1.00 89.01 O
+ATOM 139 CB CYS A 24 18.328 3.270 38.841 1.00 79.91 C
+ATOM 140 SG CYS A 24 19.033 4.885 38.437 1.00 86.45 S
+ATOM 141 N TYR A 25 19.193 -0.111 39.482 1.00 65.26 N
+ATOM 142 CA TYR A 25 18.508 -1.316 39.880 1.00 56.91 C
+ATOM 143 C TYR A 25 18.223 -1.355 41.359 1.00 59.74 C
+ATOM 144 O TYR A 25 18.734 -2.220 42.065 1.00 60.53 O
+ATOM 145 CB TYR A 25 19.171 -2.599 39.392 1.00 47.76 C
+ATOM 146 CG TYR A 25 19.204 -2.614 37.899 1.00 38.16 C
+ATOM 147 CD1 TYR A 25 20.411 -2.441 37.229 1.00 35.17 C
+ATOM 148 CD2 TYR A 25 18.036 -2.792 37.161 1.00 38.58 C
+ATOM 149 CE1 TYR A 25 20.463 -2.451 35.837 1.00 42.86 C
+ATOM 150 CE2 TYR A 25 18.073 -2.809 35.767 1.00 44.87 C
+ATOM 151 CZ TYR A 25 19.290 -2.633 35.106 1.00 74.46 C
+ATOM 152 OH TYR A 25 19.339 -2.642 33.734 1.00100.00 O
+ATOM 153 N LEU A 26 17.407 -0.401 41.799 1.00 54.34 N
+ATOM 154 CA LEU A 26 16.990 -0.318 43.190 1.00 57.10 C
+ATOM 155 C LEU A 26 16.216 -1.591 43.570 1.00 48.44 C
+ATOM 156 O LEU A 26 16.396 -2.156 44.657 1.00 47.57 O
+ATOM 157 CB LEU A 26 16.148 0.964 43.413 1.00 57.95 C
+ATOM 158 CG LEU A 26 16.125 1.523 44.838 1.00 58.48 C
+ATOM 159 CD1 LEU A 26 17.329 1.057 45.652 1.00 51.64 C
+ATOM 160 CD2 LEU A 26 16.082 3.047 44.771 1.00 59.31 C
+ATOM 161 N ASP A 27 15.364 -2.047 42.640 1.00 30.82 N
+ATOM 162 CA ASP A 27 14.562 -3.237 42.817 1.00 25.40 C
+ATOM 163 C ASP A 27 15.428 -4.474 42.952 1.00 30.03 C
+ATOM 164 O ASP A 27 16.115 -4.849 42.014 1.00 31.21 O
+ATOM 165 CB ASP A 27 13.610 -3.466 41.641 1.00 23.68 C
+ATOM 166 CG ASP A 27 12.817 -4.723 41.892 1.00 42.43 C
+ATOM 167 OD1 ASP A 27 12.272 -4.980 42.954 1.00 52.85 O
+ATOM 168 OD2 ASP A 27 12.861 -5.571 40.903 1.00 42.40 O
+ATOM 169 N LEU A 28 15.387 -5.130 44.097 1.00 28.65 N
+ATOM 170 CA LEU A 28 16.205 -6.321 44.298 1.00 31.49 C
+ATOM 171 C LEU A 28 16.312 -7.267 43.111 1.00 32.67 C
+ATOM 172 O LEU A 28 17.398 -7.628 42.649 1.00 29.52 O
+ATOM 173 CB LEU A 28 15.761 -7.129 45.540 1.00 34.87 C
+ATOM 174 CG LEU A 28 16.580 -8.395 45.829 1.00 27.91 C
+ATOM 175 CD1 LEU A 28 18.035 -8.046 46.119 1.00 30.60 C
+ATOM 176 CD2 LEU A 28 15.990 -9.093 47.044 1.00 26.03 C
+ATOM 177 N ASP A 29 15.176 -7.734 42.644 1.00 30.49 N
+ATOM 178 CA ASP A 29 15.201 -8.680 41.555 1.00 32.66 C
+ATOM 179 C ASP A 29 15.729 -8.180 40.215 1.00 25.18 C
+ATOM 180 O ASP A 29 16.359 -8.937 39.486 1.00 29.28 O
+ATOM 181 CB ASP A 29 13.950 -9.573 41.502 1.00 37.39 C
+ATOM 182 CG ASP A 29 13.713 -10.191 42.854 1.00 63.47 C
+ATOM 183 OD1 ASP A 29 14.397 -11.110 43.275 1.00 53.80 O
+ATOM 184 OD2 ASP A 29 12.816 -9.546 43.575 1.00 84.36 O
+ATOM 185 N ASP A 30 15.506 -6.927 39.879 1.00 27.18 N
+ATOM 186 CA ASP A 30 16.025 -6.427 38.620 1.00 31.02 C
+ATOM 187 C ASP A 30 17.526 -6.382 38.712 1.00 28.33 C
+ATOM 188 O ASP A 30 18.263 -6.698 37.787 1.00 26.62 O
+ATOM 189 CB ASP A 30 15.628 -4.964 38.375 1.00 40.95 C
+ATOM 190 CG ASP A 30 14.167 -4.745 38.130 1.00 89.82 C
+ATOM 191 OD1 ASP A 30 13.452 -5.587 37.617 1.00 97.11 O
+ATOM 192 OD2 ASP A 30 13.762 -3.555 38.515 1.00100.00 O
+ATOM 193 N ALA A 31 17.955 -5.906 39.862 1.00 27.77 N
+ATOM 194 CA ALA A 31 19.358 -5.755 40.146 1.00 20.63 C
+ATOM 195 C ALA A 31 20.048 -7.096 39.993 1.00 26.12 C
+ATOM 196 O ALA A 31 21.020 -7.254 39.254 1.00 19.57 O
+ATOM 197 CB ALA A 31 19.527 -5.170 41.542 1.00 20.27 C
+ATOM 198 N VAL A 32 19.543 -8.086 40.722 1.00 19.38 N
+ATOM 199 CA VAL A 32 20.107 -9.416 40.651 1.00 16.25 C
+ATOM 200 C VAL A 32 20.150 -9.891 39.198 1.00 18.67 C
+ATOM 201 O VAL A 32 21.165 -10.387 38.688 1.00 18.46 O
+ATOM 202 CB VAL A 32 19.346 -10.383 41.576 1.00 19.67 C
+ATOM 203 CG1 VAL A 32 19.838 -11.825 41.382 1.00 19.43 C
+ATOM 204 CG2 VAL A 32 19.558 -9.948 43.028 1.00 19.63 C
+ATOM 205 N LYS A 33 19.023 -9.721 38.523 1.00 17.30 N
+ATOM 206 CA LYS A 33 18.928 -10.122 37.133 1.00 25.48 C
+ATOM 207 C LYS A 33 20.036 -9.469 36.303 1.00 22.77 C
+ATOM 208 O LYS A 33 20.667 -10.108 35.459 1.00 18.18 O
+ATOM 209 CB LYS A 33 17.553 -9.740 36.596 1.00 27.17 C
+ATOM 210 CG LYS A 33 16.966 -10.745 35.631 1.00 45.20 C
+ATOM 211 CD LYS A 33 15.831 -10.124 34.841 1.00 92.56 C
+ATOM 212 CE LYS A 33 16.271 -8.945 33.983 1.00100.00 C
+ATOM 213 NZ LYS A 33 17.720 -8.686 34.011 1.00100.00 N
+ATOM 214 N HIS A 34 20.236 -8.174 36.559 1.00 18.71 N
+ATOM 215 CA HIS A 34 21.242 -7.399 35.867 1.00 21.50 C
+ATOM 216 C HIS A 34 22.655 -7.916 36.156 1.00 23.75 C
+ATOM 217 O HIS A 34 23.495 -8.085 35.258 1.00 17.32 O
+ATOM 218 CB HIS A 34 21.071 -5.884 36.133 1.00 22.87 C
+ATOM 219 CG HIS A 34 21.981 -5.064 35.285 1.00 27.90 C
+ATOM 220 ND1 HIS A 34 21.880 -5.090 33.897 1.00 32.84 N
+ATOM 221 CD2 HIS A 34 23.034 -4.263 35.615 1.00 30.62 C
+ATOM 222 CE1 HIS A 34 22.845 -4.291 33.424 1.00 29.85 C
+ATOM 223 NE2 HIS A 34 23.557 -3.782 34.428 1.00 28.40 N
+ATOM 224 N GLY A 35 22.925 -8.211 37.429 1.00 18.33 N
+ATOM 225 CA GLY A 35 24.238 -8.713 37.806 1.00 13.79 C
+ATOM 226 C GLY A 35 24.557 -10.008 37.081 1.00 16.40 C
+ATOM 227 O GLY A 35 25.625 -10.194 36.511 1.00 18.15 O
+ATOM 228 N LEU A 36 23.592 -10.915 37.109 1.00 18.58 N
+ATOM 229 CA LEU A 36 23.717 -12.210 36.458 1.00 22.23 C
+ATOM 230 C LEU A 36 23.981 -12.061 34.958 1.00 17.97 C
+ATOM 231 O LEU A 36 24.779 -12.782 34.363 1.00 16.30 O
+ATOM 232 CB LEU A 36 22.409 -12.997 36.643 1.00 25.06 C
+ATOM 233 CG LEU A 36 21.992 -13.156 38.105 1.00 34.50 C
+ATOM 234 CD1 LEU A 36 20.556 -13.682 38.175 1.00 33.38 C
+ATOM 235 CD2 LEU A 36 22.950 -14.146 38.755 1.00 20.17 C
+ATOM 236 N ALA A 37 23.226 -11.152 34.344 1.00 14.10 N
+ATOM 237 CA ALA A 37 23.373 -10.932 32.898 1.00 18.94 C
+ATOM 238 C ALA A 37 24.782 -10.463 32.569 1.00 20.31 C
+ATOM 239 O ALA A 37 25.363 -10.902 31.581 1.00 19.50 O
+ATOM 240 CB ALA A 37 22.348 -9.933 32.394 1.00 18.36 C
+ATOM 241 N MET A 38 25.312 -9.553 33.416 1.00 11.50 N
+ATOM 242 CA MET A 38 26.674 -9.067 33.267 1.00 10.08 C
+ATOM 243 C MET A 38 27.656 -10.218 33.412 1.00 15.58 C
+ATOM 244 O MET A 38 28.570 -10.363 32.607 1.00 13.03 O
+ATOM 245 CB MET A 38 27.010 -7.946 34.255 1.00 8.79 C
+ATOM 246 CG MET A 38 26.234 -6.695 33.932 1.00 7.19 C
+ATOM 247 SD MET A 38 26.807 -5.200 34.793 1.00 15.59 S
+ATOM 248 CE MET A 38 26.160 -5.618 36.441 1.00 12.91 C
+ATOM 249 N ALA A 39 27.482 -11.088 34.409 1.00 12.64 N
+ATOM 250 CA ALA A 39 28.418 -12.187 34.497 1.00 11.24 C
+ATOM 251 C ALA A 39 28.305 -13.043 33.244 1.00 16.95 C
+ATOM 252 O ALA A 39 29.295 -13.511 32.662 1.00 15.23 O
+ATOM 253 CB ALA A 39 28.116 -13.042 35.723 1.00 14.05 C
+ATOM 254 N ALA A 40 27.065 -13.260 32.825 1.00 18.91 N
+ATOM 255 CA ALA A 40 26.845 -14.063 31.629 1.00 20.20 C
+ATOM 256 C ALA A 40 27.561 -13.450 30.430 1.00 24.52 C
+ATOM 257 O ALA A 40 28.138 -14.187 29.615 1.00 24.48 O
+ATOM 258 CB ALA A 40 25.367 -14.270 31.353 1.00 20.64 C
+ATOM 259 N ALA A 41 27.525 -12.112 30.334 1.00 12.31 N
+ATOM 260 CA ALA A 41 28.189 -11.429 29.242 1.00 8.61 C
+ATOM 261 C ALA A 41 29.705 -11.475 29.351 1.00 18.17 C
+ATOM 262 O ALA A 41 30.383 -11.001 28.455 1.00 19.44 O
+ATOM 263 CB ALA A 41 27.722 -10.000 29.114 1.00 12.11 C
+ATOM 264 N GLY A 42 30.288 -12.003 30.431 1.00 11.19 N
+ATOM 265 CA GLY A 42 31.742 -12.032 30.514 1.00 9.15 C
+ATOM 266 C GLY A 42 32.389 -11.212 31.642 1.00 14.55 C
+ATOM 267 O GLY A 42 33.616 -11.221 31.800 1.00 13.85 O
+ATOM 268 N ALA A 43 31.599 -10.482 32.440 1.00 9.86 N
+ATOM 269 CA ALA A 43 32.170 -9.704 33.544 1.00 13.30 C
+ATOM 270 C ALA A 43 32.709 -10.661 34.580 1.00 18.52 C
+ATOM 271 O ALA A 43 31.960 -11.488 35.069 1.00 18.93 O
+ATOM 272 CB ALA A 43 31.085 -8.890 34.243 1.00 11.55 C
+ATOM 273 N GLY A 44 33.975 -10.571 34.951 1.00 13.22 N
+ATOM 274 CA GLY A 44 34.468 -11.505 35.976 1.00 10.76 C
+ATOM 275 C GLY A 44 34.201 -10.994 37.400 1.00 13.66 C
+ATOM 276 O GLY A 44 34.328 -11.721 38.390 1.00 16.90 O
+ATOM 277 N ILE A 45 33.811 -9.732 37.492 1.00 11.44 N
+ATOM 278 CA ILE A 45 33.478 -9.106 38.769 1.00 10.98 C
+ATOM 279 C ILE A 45 32.224 -8.261 38.590 1.00 13.75 C
+ATOM 280 O ILE A 45 32.082 -7.577 37.558 1.00 12.14 O
+ATOM 281 CB ILE A 45 34.607 -8.174 39.261 1.00 11.55 C
+ATOM 282 CG1 ILE A 45 35.957 -8.881 39.377 1.00 12.40 C
+ATOM 283 CG2 ILE A 45 34.210 -7.580 40.626 1.00 11.23 C
+ATOM 284 CD1 ILE A 45 37.166 -7.946 39.552 1.00 9.43 C
+ATOM 285 N VAL A 46 31.310 -8.279 39.575 1.00 13.33 N
+ATOM 286 CA VAL A 46 30.121 -7.412 39.519 1.00 9.76 C
+ATOM 287 C VAL A 46 30.271 -6.439 40.695 1.00 18.18 C
+ATOM 288 O VAL A 46 30.336 -6.867 41.845 1.00 13.78 O
+ATOM 289 CB VAL A 46 28.774 -8.126 39.571 1.00 14.73 C
+ATOM 290 CG1 VAL A 46 27.674 -7.099 39.739 1.00 12.23 C
+ATOM 291 CG2 VAL A 46 28.553 -8.963 38.305 1.00 14.54 C
+ATOM 292 N ASP A 47 30.426 -5.143 40.384 1.00 17.22 N
+ATOM 293 CA ASP A 47 30.605 -4.077 41.372 1.00 13.85 C
+ATOM 294 C ASP A 47 29.256 -3.469 41.778 1.00 18.93 C
+ATOM 295 O ASP A 47 28.624 -2.762 40.981 1.00 14.47 O
+ATOM 296 CB ASP A 47 31.562 -3.016 40.824 1.00 10.17 C
+ATOM 297 CG ASP A 47 32.053 -2.032 41.856 1.00 18.43 C
+ATOM 298 OD1 ASP A 47 32.470 -2.365 42.962 1.00 15.38 O
+ATOM 299 OD2 ASP A 47 31.997 -0.783 41.435 1.00 15.40 O
+ATOM 300 N VAL A 48 28.809 -3.801 43.008 1.00 15.36 N
+ATOM 301 CA VAL A 48 27.526 -3.336 43.520 1.00 10.92 C
+ATOM 302 C VAL A 48 27.742 -2.046 44.296 1.00 12.95 C
+ATOM 303 O VAL A 48 28.591 -1.963 45.170 1.00 16.67 O
+ATOM 304 CB VAL A 48 26.908 -4.431 44.409 1.00 13.03 C
+ATOM 305 CG1 VAL A 48 25.578 -3.995 45.024 1.00 12.14 C
+ATOM 306 CG2 VAL A 48 26.734 -5.739 43.634 1.00 13.54 C
+ATOM 307 N GLY A 49 27.014 -1.005 43.954 1.00 14.68 N
+ATOM 308 CA GLY A 49 27.191 0.246 44.653 1.00 17.32 C
+ATOM 309 C GLY A 49 25.834 0.835 45.039 1.00 26.66 C
+ATOM 310 O GLY A 49 24.936 0.864 44.195 1.00 24.81 O
+ATOM 311 N GLY A 50 25.707 1.325 46.294 1.00 23.50 N
+ATOM 312 CA GLY A 50 24.465 1.930 46.783 1.00 26.61 C
+ATOM 313 C GLY A 50 24.683 3.339 47.353 1.00 44.86 C
+ATOM 314 O GLY A 50 25.480 4.134 46.840 1.00 31.88 O
+ATOM 315 N GLU A 65 21.919 2.564 52.830 1.00 30.84 N
+ATOM 316 CA GLU A 65 22.962 2.001 51.992 1.00 32.93 C
+ATOM 317 C GLU A 65 23.025 0.491 52.146 1.00 36.42 C
+ATOM 318 O GLU A 65 22.855 -0.239 51.179 1.00 36.57 O
+ATOM 319 CB GLU A 65 24.356 2.668 52.148 1.00 35.54 C
+ATOM 320 CG GLU A 65 25.416 2.290 51.071 1.00 31.08 C
+ATOM 321 CD GLU A 65 26.729 3.028 51.237 1.00 37.60 C
+ATOM 322 OE1 GLU A 65 26.835 3.996 51.956 1.00 34.51 O
+ATOM 323 OE2 GLU A 65 27.753 2.527 50.565 1.00 28.13 O
+ATOM 324 N THR A 66 23.245 -0.006 53.362 1.00 23.82 N
+ATOM 325 CA THR A 66 23.323 -1.447 53.526 1.00 23.25 C
+ATOM 326 C THR A 66 22.048 -2.187 53.159 1.00 29.19 C
+ATOM 327 O THR A 66 22.064 -3.229 52.500 1.00 34.45 O
+ATOM 328 CB THR A 66 24.087 -1.922 54.784 1.00 33.99 C
+ATOM 329 OG1 THR A 66 23.246 -2.592 55.682 1.00 31.06 O
+ATOM 330 CG2 THR A 66 24.698 -0.716 55.472 1.00 26.41 C
+ATOM 331 N SER A 67 20.924 -1.607 53.533 1.00 31.11 N
+ATOM 332 CA SER A 67 19.627 -2.195 53.237 1.00 31.41 C
+ATOM 333 C SER A 67 19.438 -2.405 51.756 1.00 31.68 C
+ATOM 334 O SER A 67 18.734 -3.316 51.339 1.00 35.80 O
+ATOM 335 CB SER A 67 18.455 -1.364 53.780 1.00 43.01 C
+ATOM 336 OG SER A 67 17.952 -0.436 52.826 1.00 40.25 O
+ATOM 337 N ARG A 68 20.032 -1.538 50.955 1.00 29.47 N
+ATOM 338 CA ARG A 68 19.844 -1.708 49.522 1.00 36.88 C
+ATOM 339 C ARG A 68 20.826 -2.677 48.886 1.00 31.02 C
+ATOM 340 O ARG A 68 20.420 -3.537 48.118 1.00 33.58 O
+ATOM 341 CB ARG A 68 19.828 -0.400 48.728 1.00 50.57 C
+ATOM 342 CG ARG A 68 18.555 0.428 48.898 1.00 85.20 C
+ATOM 343 CD ARG A 68 18.836 1.930 48.907 1.00 95.14 C
+ATOM 344 NE ARG A 68 17.643 2.767 48.783 1.00 96.78 N
+ATOM 345 CZ ARG A 68 17.663 3.968 48.214 1.00 77.16 C
+ATOM 346 NH1 ARG A 68 18.798 4.460 47.712 1.00 43.15 N
+ATOM 347 NH2 ARG A 68 16.529 4.677 48.144 1.00 38.16 N
+ATOM 348 N VAL A 69 22.110 -2.527 49.213 1.00 21.72 N
+ATOM 349 CA VAL A 69 23.129 -3.366 48.607 1.00 21.10 C
+ATOM 350 C VAL A 69 23.267 -4.778 49.134 1.00 21.74 C
+ATOM 351 O VAL A 69 23.565 -5.735 48.402 1.00 19.23 O
+ATOM 352 CB VAL A 69 24.497 -2.682 48.565 1.00 27.21 C
+ATOM 353 CG1 VAL A 69 24.335 -1.208 48.185 1.00 23.00 C
+ATOM 354 CG2 VAL A 69 25.229 -2.815 49.902 1.00 26.94 C
+ATOM 355 N ILE A 70 23.077 -4.925 50.428 1.00 19.75 N
+ATOM 356 CA ILE A 70 23.282 -6.239 50.999 1.00 19.35 C
+ATOM 357 C ILE A 70 22.571 -7.416 50.350 1.00 18.37 C
+ATOM 358 O ILE A 70 23.151 -8.451 50.055 1.00 22.47 O
+ATOM 359 CB ILE A 70 23.198 -6.240 52.523 1.00 23.99 C
+ATOM 360 CG1 ILE A 70 24.344 -5.424 53.134 1.00 25.65 C
+ATOM 361 CG2 ILE A 70 23.236 -7.681 53.021 1.00 23.59 C
+ATOM 362 CD1 ILE A 70 25.686 -5.609 52.445 1.00 26.24 C
+ATOM 363 N PRO A 71 21.291 -7.264 50.146 1.00 17.89 N
+ATOM 364 CA PRO A 71 20.519 -8.310 49.559 1.00 21.28 C
+ATOM 365 C PRO A 71 20.965 -8.639 48.138 1.00 25.02 C
+ATOM 366 O PRO A 71 20.828 -9.770 47.701 1.00 17.82 O
+ATOM 367 CB PRO A 71 19.066 -7.839 49.611 1.00 24.44 C
+ATOM 368 CG PRO A 71 19.042 -6.602 50.488 1.00 26.50 C
+ATOM 369 CD PRO A 71 20.470 -6.120 50.605 1.00 19.46 C
+ATOM 370 N VAL A 72 21.487 -7.643 47.421 1.00 20.17 N
+ATOM 371 CA VAL A 72 21.950 -7.878 46.070 1.00 16.28 C
+ATOM 372 C VAL A 72 23.275 -8.622 46.148 1.00 16.39 C
+ATOM 373 O VAL A 72 23.541 -9.644 45.510 1.00 18.03 O
+ATOM 374 CB VAL A 72 22.108 -6.546 45.373 1.00 19.78 C
+ATOM 375 CG1 VAL A 72 22.731 -6.753 43.994 1.00 18.05 C
+ATOM 376 CG2 VAL A 72 20.732 -5.915 45.238 1.00 18.75 C
+ATOM 377 N VAL A 73 24.131 -8.114 46.994 1.00 12.52 N
+ATOM 378 CA VAL A 73 25.414 -8.758 47.177 1.00 14.76 C
+ATOM 379 C VAL A 73 25.221 -10.220 47.575 1.00 17.48 C
+ATOM 380 O VAL A 73 25.892 -11.097 47.047 1.00 17.78 O
+ATOM 381 CB VAL A 73 26.185 -8.039 48.302 1.00 15.64 C
+ATOM 382 CG1 VAL A 73 27.393 -8.862 48.714 1.00 15.69 C
+ATOM 383 CG2 VAL A 73 26.588 -6.630 47.889 1.00 16.66 C
+ATOM 384 N LYS A 74 24.308 -10.468 48.545 1.00 16.61 N
+ATOM 385 CA LYS A 74 24.054 -11.811 49.024 1.00 14.78 C
+ATOM 386 C LYS A 74 23.594 -12.789 47.952 1.00 18.31 C
+ATOM 387 O LYS A 74 24.125 -13.882 47.836 1.00 26.52 O
+ATOM 388 CB LYS A 74 23.115 -11.846 50.205 1.00 22.34 C
+ATOM 389 CG LYS A 74 23.383 -13.085 51.049 1.00 28.21 C
+ATOM 390 CD LYS A 74 22.126 -13.724 51.624 1.00 67.22 C
+ATOM 391 CE LYS A 74 21.482 -12.923 52.742 1.00 65.05 C
+ATOM 392 NZ LYS A 74 20.361 -12.110 52.284 1.00 84.02 N
+ATOM 393 N GLU A 75 22.611 -12.410 47.157 1.00 19.51 N
+ATOM 394 CA GLU A 75 22.152 -13.303 46.111 1.00 16.95 C
+ATOM 395 C GLU A 75 23.194 -13.534 45.030 1.00 20.46 C
+ATOM 396 O GLU A 75 23.416 -14.651 44.572 1.00 16.93 O
+ATOM 397 CB GLU A 75 20.847 -12.824 45.467 1.00 24.75 C
+ATOM 398 CG GLU A 75 20.201 -13.919 44.591 1.00 21.60 C
+ATOM 399 CD GLU A 75 20.344 -15.315 45.155 1.00 39.91 C
+ATOM 400 OE1 GLU A 75 20.536 -15.561 46.329 1.00 34.50 O
+ATOM 401 OE2 GLU A 75 20.216 -16.254 44.255 1.00 26.37 O
+ATOM 402 N LEU A 76 23.844 -12.459 44.595 1.00 16.47 N
+ATOM 403 CA LEU A 76 24.856 -12.626 43.569 1.00 13.51 C
+ATOM 404 C LEU A 76 25.935 -13.566 44.045 1.00 14.90 C
+ATOM 405 O LEU A 76 26.333 -14.483 43.329 1.00 17.45 O
+ATOM 406 CB LEU A 76 25.457 -11.302 43.018 1.00 13.25 C
+ATOM 407 CG LEU A 76 24.432 -10.329 42.415 1.00 14.01 C
+ATOM 408 CD1 LEU A 76 25.110 -8.987 42.144 1.00 13.90 C
+ATOM 409 CD2 LEU A 76 23.837 -10.902 41.120 1.00 18.31 C
+ATOM 410 N ALA A 77 26.425 -13.331 45.264 1.00 15.52 N
+ATOM 411 CA ALA A 77 27.466 -14.177 45.831 1.00 15.15 C
+ATOM 412 C ALA A 77 26.951 -15.615 45.926 1.00 21.02 C
+ATOM 413 O ALA A 77 27.679 -16.571 45.699 1.00 18.32 O
+ATOM 414 CB ALA A 77 27.977 -13.636 47.165 1.00 12.51 C
+ATOM 415 N ALA A 78 25.672 -15.780 46.236 1.00 17.66 N
+ATOM 416 CA ALA A 78 25.091 -17.115 46.295 1.00 18.38 C
+ATOM 417 C ALA A 78 25.016 -17.759 44.893 1.00 26.64 C
+ATOM 418 O ALA A 78 24.916 -18.989 44.744 1.00 21.25 O
+ATOM 419 CB ALA A 78 23.679 -17.007 46.852 1.00 20.18 C
+ATOM 420 N GLN A 79 25.023 -16.918 43.853 1.00 16.58 N
+ATOM 421 CA GLN A 79 24.986 -17.410 42.492 1.00 16.62 C
+ATOM 422 C GLN A 79 26.405 -17.614 41.971 1.00 19.47 C
+ATOM 423 O GLN A 79 26.695 -17.792 40.809 1.00 18.34 O
+ATOM 424 CB GLN A 79 24.139 -16.541 41.575 1.00 18.59 C
+ATOM 425 CG GLN A 79 22.642 -16.662 41.939 1.00 20.17 C
+ATOM 426 CD GLN A 79 22.173 -18.103 42.032 1.00 44.22 C
+ATOM 427 OE1 GLN A 79 22.631 -18.979 41.270 1.00 27.88 O
+ATOM 428 NE2 GLN A 79 21.226 -18.347 42.936 1.00 24.21 N
+ATOM 429 N GLY A 80 27.334 -17.608 42.878 1.00 18.46 N
+ATOM 430 CA GLY A 80 28.717 -17.830 42.497 1.00 19.37 C
+ATOM 431 C GLY A 80 29.414 -16.646 41.861 1.00 18.50 C
+ATOM 432 O GLY A 80 30.522 -16.786 41.371 1.00 18.48 O
+ATOM 433 N ILE A 81 28.793 -15.483 41.868 1.00 14.00 N
+ATOM 434 CA ILE A 81 29.452 -14.356 41.261 1.00 14.26 C
+ATOM 435 C ILE A 81 30.445 -13.712 42.198 1.00 24.38 C
+ATOM 436 O ILE A 81 30.231 -13.649 43.412 1.00 25.49 O
+ATOM 437 CB ILE A 81 28.450 -13.299 40.811 1.00 24.45 C
+ATOM 438 CG1 ILE A 81 27.522 -13.861 39.725 1.00 27.05 C
+ATOM 439 CG2 ILE A 81 29.188 -12.049 40.323 1.00 21.98 C
+ATOM 440 CD1 ILE A 81 28.016 -15.195 39.176 1.00 60.64 C
+ATOM 441 N THR A 82 31.537 -13.226 41.612 1.00 16.97 N
+ATOM 442 CA THR A 82 32.555 -12.522 42.358 1.00 12.22 C
+ATOM 443 C THR A 82 32.048 -11.077 42.465 1.00 19.97 C
+ATOM 444 O THR A 82 31.913 -10.353 41.466 1.00 19.74 O
+ATOM 445 CB THR A 82 33.951 -12.653 41.710 1.00 11.58 C
+ATOM 446 OG1 THR A 82 34.294 -14.005 41.649 1.00 15.29 O
+ATOM 447 CG2 THR A 82 35.013 -11.918 42.530 1.00 12.04 C
+ATOM 448 N VAL A 83 31.698 -10.672 43.693 1.00 12.22 N
+ATOM 449 CA VAL A 83 31.133 -9.359 43.904 1.00 10.86 C
+ATOM 450 C VAL A 83 32.089 -8.413 44.604 1.00 17.69 C
+ATOM 451 O VAL A 83 32.790 -8.791 45.546 1.00 16.35 O
+ATOM 452 CB VAL A 83 29.858 -9.506 44.754 1.00 14.41 C
+ATOM 453 CG1 VAL A 83 29.221 -8.148 45.063 1.00 16.78 C
+ATOM 454 CG2 VAL A 83 28.848 -10.449 44.107 1.00 12.67 C
+ATOM 455 N SER A 84 32.085 -7.166 44.123 1.00 14.94 N
+ATOM 456 CA SER A 84 32.875 -6.108 44.715 1.00 14.36 C
+ATOM 457 C SER A 84 31.871 -5.168 45.305 1.00 17.25 C
+ATOM 458 O SER A 84 30.779 -4.999 44.725 1.00 14.75 O
+ATOM 459 CB SER A 84 33.745 -5.371 43.677 1.00 16.50 C
+ATOM 460 OG SER A 84 34.077 -4.056 44.075 0.70 10.62 O
+ATOM 461 N ILE A 85 32.224 -4.603 46.461 1.00 13.95 N
+ATOM 462 CA ILE A 85 31.356 -3.631 47.085 1.00 12.81 C
+ATOM 463 C ILE A 85 31.957 -2.267 46.861 1.00 12.93 C
+ATOM 464 O ILE A 85 33.097 -2.022 47.267 1.00 14.20 O
+ATOM 465 CB ILE A 85 31.040 -3.875 48.573 1.00 19.00 C
+ATOM 466 CG1 ILE A 85 30.141 -2.764 49.155 1.00 14.93 C
+ATOM 467 CG2 ILE A 85 32.299 -4.084 49.415 1.00 15.37 C
+ATOM 468 CD1 ILE A 85 28.712 -2.771 48.607 1.00 10.77 C
+ATOM 469 N ASP A 86 31.177 -1.405 46.213 1.00 14.65 N
+ATOM 470 CA ASP A 86 31.621 -0.052 45.931 1.00 13.32 C
+ATOM 471 C ASP A 86 31.134 0.867 47.047 1.00 13.89 C
+ATOM 472 O ASP A 86 29.987 1.328 47.040 1.00 12.18 O
+ATOM 473 CB ASP A 86 31.175 0.412 44.519 1.00 13.11 C
+ATOM 474 CG ASP A 86 31.725 1.759 44.130 1.00 13.24 C
+ATOM 475 OD1 ASP A 86 32.255 2.516 44.919 1.00 20.79 O
+ATOM 476 OD2 ASP A 86 31.634 2.026 42.854 1.00 13.67 O
+ATOM 477 N THR A 87 32.012 1.100 48.015 1.00 12.24 N
+ATOM 478 CA THR A 87 31.683 1.934 49.180 1.00 14.21 C
+ATOM 479 C THR A 87 32.912 2.576 49.803 1.00 14.67 C
+ATOM 480 O THR A 87 34.035 2.048 49.750 1.00 15.18 O
+ATOM 481 CB THR A 87 30.972 1.110 50.303 1.00 19.09 C
+ATOM 482 OG1 THR A 87 30.504 1.929 51.361 1.00 17.04 O
+ATOM 483 CG2 THR A 87 31.881 0.024 50.895 1.00 12.74 C
+ATOM 484 N MET A 88 32.642 3.713 50.434 1.00 13.97 N
+ATOM 485 CA MET A 88 33.625 4.492 51.162 1.00 20.12 C
+ATOM 486 C MET A 88 33.532 4.221 52.667 1.00 20.57 C
+ATOM 487 O MET A 88 34.361 4.713 53.407 1.00 21.22 O
+ATOM 488 CB MET A 88 33.255 5.963 51.014 1.00 25.39 C
+ATOM 489 CG MET A 88 34.224 6.698 50.140 1.00 34.19 C
+ATOM 490 SD MET A 88 33.542 8.305 49.689 1.00 38.31 S
+ATOM 491 CE MET A 88 31.779 7.909 49.676 1.00 37.46 C
+ATOM 492 N ARG A 89 32.526 3.449 53.094 1.00 16.95 N
+ATOM 493 CA ARG A 89 32.292 3.117 54.499 1.00 18.25 C
+ATOM 494 C ARG A 89 32.668 1.701 54.914 1.00 21.34 C
+ATOM 495 O ARG A 89 32.146 0.706 54.393 1.00 18.57 O
+ATOM 496 CB ARG A 89 30.815 3.281 54.761 1.00 17.51 C
+ATOM 497 CG ARG A 89 30.360 4.692 54.453 1.00 19.41 C
+ATOM 498 CD ARG A 89 28.864 4.891 54.695 1.00 36.63 C
+ATOM 499 NE ARG A 89 28.508 6.255 55.100 1.00100.00 N
+ATOM 500 CZ ARG A 89 28.817 7.376 54.435 1.00100.00 C
+ATOM 501 NH1 ARG A 89 29.511 7.376 53.287 1.00100.00 N
+ATOM 502 NH2 ARG A 89 28.416 8.541 54.954 1.00100.00 N
+ATOM 503 N ALA A 90 33.567 1.615 55.896 1.00 24.02 N
+ATOM 504 CA ALA A 90 34.050 0.328 56.409 1.00 22.36 C
+ATOM 505 C ALA A 90 32.897 -0.534 56.880 1.00 21.94 C
+ATOM 506 O ALA A 90 32.899 -1.747 56.714 1.00 24.61 O
+ATOM 507 CB ALA A 90 35.098 0.490 57.517 1.00 19.96 C
+ATOM 508 N ASP A 91 31.907 0.110 57.482 1.00 18.18 N
+ATOM 509 CA ASP A 91 30.754 -0.605 57.972 1.00 18.11 C
+ATOM 510 C ASP A 91 29.949 -1.245 56.857 1.00 22.90 C
+ATOM 511 O ASP A 91 29.435 -2.370 56.999 1.00 18.07 O
+ATOM 512 CB ASP A 91 29.859 0.318 58.829 1.00 25.29 C
+ATOM 513 CG ASP A 91 29.785 1.715 58.271 1.00 66.68 C
+ATOM 514 OD1 ASP A 91 30.452 2.088 57.321 1.00 79.89 O
+ATOM 515 OD2 ASP A 91 28.940 2.483 58.914 1.00 76.06 O
+ATOM 516 N VAL A 92 29.801 -0.536 55.733 1.00 21.72 N
+ATOM 517 CA VAL A 92 29.018 -1.147 54.664 1.00 16.03 C
+ATOM 518 C VAL A 92 29.837 -2.257 54.059 1.00 12.79 C
+ATOM 519 O VAL A 92 29.345 -3.315 53.717 1.00 15.69 O
+ATOM 520 CB VAL A 92 28.594 -0.128 53.614 1.00 23.81 C
+ATOM 521 CG1 VAL A 92 27.924 -0.834 52.434 1.00 20.14 C
+ATOM 522 CG2 VAL A 92 27.638 0.913 54.209 1.00 15.45 C
+ATOM 523 N ALA A 93 31.136 -2.001 53.976 1.00 15.16 N
+ATOM 524 CA ALA A 93 32.028 -2.992 53.428 1.00 16.38 C
+ATOM 525 C ALA A 93 31.999 -4.261 54.245 1.00 24.84 C
+ATOM 526 O ALA A 93 31.932 -5.396 53.729 1.00 20.31 O
+ATOM 527 CB ALA A 93 33.441 -2.437 53.341 1.00 16.88 C
+ATOM 528 N ARG A 94 32.088 -4.069 55.562 1.00 21.55 N
+ATOM 529 CA ARG A 94 32.093 -5.236 56.423 1.00 13.69 C
+ATOM 530 C ARG A 94 30.820 -6.025 56.230 1.00 13.48 C
+ATOM 531 O ARG A 94 30.862 -7.246 56.085 1.00 19.16 O
+ATOM 532 CB ARG A 94 32.324 -4.905 57.881 1.00 17.43 C
+ATOM 533 CG ARG A 94 31.918 -6.047 58.794 1.00 26.53 C
+ATOM 534 CD ARG A 94 32.293 -5.794 60.259 1.00 27.64 C
+ATOM 535 NE ARG A 94 33.145 -6.887 60.703 1.00 42.11 N
+ATOM 536 CZ ARG A 94 34.417 -6.750 61.031 1.00 52.12 C
+ATOM 537 NH1 ARG A 94 35.021 -5.565 61.041 1.00 44.55 N
+ATOM 538 NH2 ARG A 94 35.094 -7.841 61.368 1.00 34.66 N
+ATOM 539 N ALA A 95 29.692 -5.309 56.195 1.00 16.63 N
+ATOM 540 CA ALA A 95 28.429 -5.983 55.981 1.00 14.44 C
+ATOM 541 C ALA A 95 28.480 -6.720 54.659 1.00 19.07 C
+ATOM 542 O ALA A 95 28.033 -7.873 54.551 1.00 17.69 O
+ATOM 543 CB ALA A 95 27.236 -5.049 55.981 1.00 14.23 C
+ATOM 544 N ALA A 96 29.048 -6.050 53.651 1.00 18.04 N
+ATOM 545 CA ALA A 96 29.118 -6.700 52.327 1.00 18.71 C
+ATOM 546 C ALA A 96 29.913 -7.988 52.377 1.00 13.63 C
+ATOM 547 O ALA A 96 29.530 -9.037 51.852 1.00 17.36 O
+ATOM 548 CB ALA A 96 29.554 -5.790 51.184 1.00 15.15 C
+ATOM 549 N LEU A 97 31.029 -7.891 53.033 1.00 12.34 N
+ATOM 550 CA LEU A 97 31.866 -9.059 53.165 1.00 16.37 C
+ATOM 551 C LEU A 97 31.168 -10.196 53.922 1.00 27.70 C
+ATOM 552 O LEU A 97 31.234 -11.376 53.529 1.00 22.85 O
+ATOM 553 CB LEU A 97 33.227 -8.725 53.772 1.00 16.69 C
+ATOM 554 CG LEU A 97 34.046 -7.725 52.962 1.00 21.02 C
+ATOM 555 CD1 LEU A 97 35.215 -7.246 53.817 1.00 17.14 C
+ATOM 556 CD2 LEU A 97 34.631 -8.405 51.731 1.00 18.23 C
+ATOM 557 N GLN A 98 30.484 -9.841 55.005 1.00 19.42 N
+ATOM 558 CA GLN A 98 29.794 -10.854 55.769 1.00 22.88 C
+ATOM 559 C GLN A 98 28.804 -11.564 54.871 1.00 26.34 C
+ATOM 560 O GLN A 98 28.417 -12.702 55.088 1.00 23.01 O
+ATOM 561 CB GLN A 98 29.050 -10.225 56.973 1.00 23.18 C
+ATOM 562 CG GLN A 98 29.998 -9.583 58.021 1.00 30.20 C
+ATOM 563 CD GLN A 98 29.336 -8.591 58.981 1.00 48.82 C
+ATOM 564 OE1 GLN A 98 28.311 -7.966 58.665 1.00 27.83 O
+ATOM 565 NE2 GLN A 98 29.923 -8.421 60.166 1.00 35.16 N
+ATOM 566 N ASN A 99 28.367 -10.868 53.844 1.00 19.91 N
+ATOM 567 CA ASN A 99 27.381 -11.429 52.967 1.00 15.00 C
+ATOM 568 C ASN A 99 27.908 -11.984 51.669 1.00 17.15 C
+ATOM 569 O ASN A 99 27.112 -12.206 50.770 1.00 21.51 O
+ATOM 570 CB ASN A 99 26.219 -10.469 52.708 1.00 17.58 C
+ATOM 571 CG ASN A 99 25.359 -10.350 53.944 1.00 32.43 C
+ATOM 572 OD1 ASN A 99 25.588 -9.485 54.819 1.00 25.58 O
+ATOM 573 ND2 ASN A 99 24.418 -11.277 54.056 1.00 25.47 N
+ATOM 574 N GLY A 100 29.197 -12.264 51.552 1.00 18.99 N
+ATOM 575 CA GLY A 100 29.646 -12.898 50.314 1.00 20.67 C
+ATOM 576 C GLY A 100 30.498 -12.090 49.336 1.00 20.08 C
+ATOM 577 O GLY A 100 30.995 -12.634 48.346 1.00 15.22 O
+ATOM 578 N ALA A 101 30.673 -10.804 49.592 1.00 14.03 N
+ATOM 579 CA ALA A 101 31.496 -9.992 48.697 1.00 12.73 C
+ATOM 580 C ALA A 101 32.943 -10.429 48.804 1.00 23.77 C
+ATOM 581 O ALA A 101 33.373 -10.954 49.852 1.00 17.35 O
+ATOM 582 CB ALA A 101 31.322 -8.500 48.962 1.00 11.89 C
+ATOM 583 N GLN A 102 33.686 -10.254 47.705 1.00 15.99 N
+ATOM 584 CA GLN A 102 35.069 -10.677 47.684 1.00 14.01 C
+ATOM 585 C GLN A 102 36.081 -9.587 47.366 1.00 17.63 C
+ATOM 586 O GLN A 102 37.252 -9.852 47.148 1.00 16.59 O
+ATOM 587 CB GLN A 102 35.239 -11.813 46.674 1.00 16.47 C
+ATOM 588 CG GLN A 102 34.599 -13.113 47.157 1.00 25.12 C
+ATOM 589 CD GLN A 102 34.594 -14.054 45.984 1.00 53.15 C
+ATOM 590 OE1 GLN A 102 33.545 -14.306 45.377 1.00 36.67 O
+ATOM 591 NE2 GLN A 102 35.797 -14.398 45.544 1.00 41.36 N
+ATOM 592 N MET A 103 35.630 -8.353 47.320 1.00 13.50 N
+ATOM 593 CA MET A 103 36.518 -7.265 47.014 1.00 11.06 C
+ATOM 594 C MET A 103 35.887 -5.987 47.503 1.00 13.52 C
+ATOM 595 O MET A 103 34.657 -5.866 47.535 1.00 10.33 O
+ATOM 596 CB MET A 103 36.723 -7.186 45.481 1.00 12.07 C
+ATOM 597 CG MET A 103 37.104 -5.793 44.996 1.00 14.44 C
+ATOM 598 SD MET A 103 37.473 -5.729 43.193 1.00 17.26 S
+ATOM 599 CE MET A 103 39.278 -5.874 43.215 1.00 14.06 C
+ATOM 600 N VAL A 104 36.742 -5.049 47.882 1.00 12.37 N
+ATOM 601 CA VAL A 104 36.246 -3.767 48.291 1.00 11.61 C
+ATOM 602 C VAL A 104 36.775 -2.731 47.303 1.00 10.40 C
+ATOM 603 O VAL A 104 37.983 -2.685 47.049 1.00 11.34 O
+ATOM 604 CB VAL A 104 36.569 -3.379 49.723 1.00 12.63 C
+ATOM 605 CG1 VAL A 104 35.983 -1.996 49.972 1.00 12.33 C
+ATOM 606 CG2 VAL A 104 35.944 -4.376 50.714 1.00 13.56 C
+ATOM 607 N ASN A 105 35.839 -1.932 46.756 1.00 12.65 N
+ATOM 608 CA ASN A 105 36.151 -0.879 45.804 1.00 9.90 C
+ATOM 609 C ASN A 105 35.965 0.453 46.500 1.00 10.15 C
+ATOM 610 O ASN A 105 34.842 0.899 46.730 1.00 12.79 O
+ATOM 611 CB ASN A 105 35.244 -1.007 44.562 1.00 13.47 C
+ATOM 612 CG ASN A 105 35.492 0.103 43.557 1.00 16.30 C
+ATOM 613 OD1 ASN A 105 36.543 0.747 43.651 1.00 12.55 O
+ATOM 614 ND2 ASN A 105 34.469 0.436 42.736 1.00 13.97 N
+ATOM 615 N ASP A 106 37.054 1.093 46.878 1.00 9.57 N
+ATOM 616 CA ASP A 106 36.886 2.321 47.640 1.00 16.53 C
+ATOM 617 C ASP A 106 37.241 3.594 46.904 1.00 10.94 C
+ATOM 618 O ASP A 106 38.423 3.865 46.668 1.00 12.25 O
+ATOM 619 CB ASP A 106 37.738 2.252 48.923 1.00 19.78 C
+ATOM 620 CG ASP A 106 37.587 3.457 49.848 1.00 25.33 C
+ATOM 621 OD1 ASP A 106 36.838 4.424 49.664 1.00 16.15 O
+ATOM 622 OD2 ASP A 106 38.318 3.298 50.929 1.00 18.89 O
+ATOM 623 N VAL A 107 36.217 4.381 46.600 1.00 12.49 N
+ATOM 624 CA VAL A 107 36.499 5.598 45.851 1.00 16.97 C
+ATOM 625 C VAL A 107 37.365 6.607 46.591 1.00 22.26 C
+ATOM 626 O VAL A 107 37.959 7.499 45.986 1.00 19.06 O
+ATOM 627 CB VAL A 107 35.279 6.205 45.151 1.00 20.13 C
+ATOM 628 CG1 VAL A 107 34.576 5.144 44.305 1.00 14.99 C
+ATOM 629 CG2 VAL A 107 34.299 6.857 46.140 1.00 19.08 C
+ATOM 630 N SER A 108 37.427 6.462 47.919 1.00 18.37 N
+ATOM 631 CA SER A 108 38.215 7.366 48.712 1.00 15.51 C
+ATOM 632 C SER A 108 39.647 6.855 48.863 1.00 24.60 C
+ATOM 633 O SER A 108 40.488 7.530 49.446 1.00 23.26 O
+ATOM 634 CB SER A 108 37.569 7.583 50.077 1.00 13.48 C
+ATOM 635 OG SER A 108 37.943 6.537 50.970 1.00 15.82 O
+ATOM 636 N GLY A 109 39.957 5.663 48.358 1.00 17.79 N
+ATOM 637 CA GLY A 109 41.313 5.151 48.501 1.00 16.60 C
+ATOM 638 C GLY A 109 41.711 4.919 49.976 1.00 28.95 C
+ATOM 639 O GLY A 109 42.896 4.885 50.361 1.00 21.39 O
+ATOM 640 N GLY A 110 40.702 4.758 50.832 1.00 25.89 N
+ATOM 641 CA GLY A 110 40.940 4.513 52.250 1.00 25.16 C
+ATOM 642 C GLY A 110 40.889 5.763 53.134 1.00 30.77 C
+ATOM 643 O GLY A 110 40.875 5.646 54.370 1.00 28.57 O
+ATOM 644 N ARG A 111 40.829 6.933 52.474 1.00 20.74 N
+ATOM 645 CA ARG A 111 40.819 8.233 53.106 1.00 19.48 C
+ATOM 646 C ARG A 111 39.525 8.650 53.746 1.00 31.95 C
+ATOM 647 O ARG A 111 39.525 9.559 54.572 1.00 41.42 O
+ATOM 648 CB ARG A 111 41.319 9.339 52.199 1.00 19.72 C
+ATOM 649 CG ARG A 111 42.516 8.917 51.356 1.00 31.82 C
+ATOM 650 CD ARG A 111 43.458 10.082 51.079 1.00 43.97 C
+ATOM 651 NE ARG A 111 43.001 11.318 51.681 1.00 53.14 N
+ATOM 652 CZ ARG A 111 42.448 12.314 50.995 1.00 94.68 C
+ATOM 653 NH1 ARG A 111 42.311 12.278 49.676 1.00100.00 N
+ATOM 654 NH2 ARG A 111 42.010 13.380 51.645 1.00 86.40 N
+ATOM 655 N ALA A 112 38.415 8.021 53.390 1.00 23.14 N
+ATOM 656 CA ALA A 112 37.203 8.475 54.038 1.00 22.60 C
+ATOM 657 C ALA A 112 37.009 7.788 55.373 1.00 28.80 C
+ATOM 658 O ALA A 112 36.434 8.364 56.295 1.00 21.29 O
+ATOM 659 CB ALA A 112 35.974 8.318 53.153 1.00 21.38 C
+ATOM 660 N ASP A 113 37.488 6.535 55.445 1.00 21.70 N
+ATOM 661 CA ASP A 113 37.278 5.727 56.627 1.00 21.97 C
+ATOM 662 C ASP A 113 38.506 5.018 57.182 1.00 25.19 C
+ATOM 663 O ASP A 113 39.045 4.043 56.642 1.00 23.76 O
+ATOM 664 CB ASP A 113 36.067 4.796 56.425 1.00 17.40 C
+ATOM 665 CG ASP A 113 35.541 4.301 57.730 1.00 25.11 C
+ATOM 666 OD1 ASP A 113 36.247 4.229 58.717 1.00 20.37 O
+ATOM 667 OD2 ASP A 113 34.284 3.911 57.662 1.00 22.84 O
+ATOM 668 N PRO A 114 38.938 5.563 58.313 1.00 31.68 N
+ATOM 669 CA PRO A 114 40.096 5.038 58.992 1.00 32.70 C
+ATOM 670 C PRO A 114 39.897 3.581 59.344 1.00 27.88 C
+ATOM 671 O PRO A 114 40.886 2.894 59.523 1.00 32.37 O
+ATOM 672 CB PRO A 114 40.265 5.848 60.292 1.00 36.61 C
+ATOM 673 CG PRO A 114 38.996 6.687 60.447 1.00 40.77 C
+ATOM 674 CD PRO A 114 38.217 6.584 59.141 1.00 28.93 C
+ATOM 675 N ALA A 115 38.648 3.104 59.465 1.00 22.87 N
+ATOM 676 CA ALA A 115 38.458 1.694 59.813 1.00 17.39 C
+ATOM 677 C ALA A 115 38.638 0.796 58.602 1.00 27.82 C
+ATOM 678 O ALA A 115 38.830 -0.408 58.766 1.00 25.54 O
+ATOM 679 CB ALA A 115 37.079 1.442 60.377 1.00 16.41 C
+ATOM 680 N MET A 116 38.561 1.391 57.393 1.00 19.14 N
+ATOM 681 CA MET A 116 38.694 0.619 56.154 1.00 15.45 C
+ATOM 682 C MET A 116 39.977 -0.217 56.036 1.00 15.57 C
+ATOM 683 O MET A 116 39.944 -1.414 55.758 1.00 15.42 O
+ATOM 684 CB MET A 116 38.498 1.507 54.888 1.00 19.71 C
+ATOM 685 CG MET A 116 38.217 0.697 53.607 1.00 17.28 C
+ATOM 686 SD MET A 116 36.594 -0.123 53.691 1.00 18.03 S
+ATOM 687 CE MET A 116 35.512 1.211 53.120 1.00 19.28 C
+ATOM 688 N GLY A 117 41.151 0.401 56.194 1.00 14.69 N
+ATOM 689 CA GLY A 117 42.373 -0.390 56.067 1.00 15.66 C
+ATOM 690 C GLY A 117 42.417 -1.631 56.983 1.00 22.67 C
+ATOM 691 O GLY A 117 42.715 -2.748 56.554 1.00 18.15 O
+ATOM 692 N PRO A 118 42.125 -1.432 58.271 1.00 21.62 N
+ATOM 693 CA PRO A 118 42.131 -2.521 59.235 1.00 18.28 C
+ATOM 694 C PRO A 118 41.140 -3.599 58.840 1.00 16.55 C
+ATOM 695 O PRO A 118 41.373 -4.784 59.005 1.00 18.26 O
+ATOM 696 CB PRO A 118 41.705 -1.891 60.564 1.00 24.81 C
+ATOM 697 CG PRO A 118 41.806 -0.380 60.411 1.00 31.71 C
+ATOM 698 CD PRO A 118 41.944 -0.101 58.925 1.00 23.84 C
+ATOM 699 N LEU A 119 40.011 -3.188 58.295 1.00 17.01 N
+ATOM 700 CA LEU A 119 39.043 -4.160 57.846 1.00 15.22 C
+ATOM 701 C LEU A 119 39.640 -5.021 56.728 1.00 16.50 C
+ATOM 702 O LEU A 119 39.530 -6.259 56.714 1.00 17.55 O
+ATOM 703 CB LEU A 119 37.767 -3.442 57.383 1.00 13.85 C
+ATOM 704 CG LEU A 119 36.850 -4.313 56.538 1.00 19.09 C
+ATOM 705 CD1 LEU A 119 36.224 -5.380 57.428 1.00 24.12 C
+ATOM 706 CD2 LEU A 119 35.774 -3.467 55.856 1.00 17.32 C
+ATOM 707 N LEU A 120 40.312 -4.355 55.779 1.00 16.08 N
+ATOM 708 CA LEU A 120 40.910 -5.058 54.643 1.00 15.84 C
+ATOM 709 C LEU A 120 42.062 -5.955 55.077 1.00 21.17 C
+ATOM 710 O LEU A 120 42.338 -6.991 54.468 1.00 17.31 O
+ATOM 711 CB LEU A 120 41.276 -4.140 53.440 1.00 13.28 C
+ATOM 712 CG LEU A 120 40.087 -3.809 52.504 1.00 14.30 C
+ATOM 713 CD1 LEU A 120 39.599 -5.035 51.710 1.00 13.19 C
+ATOM 714 CD2 LEU A 120 38.917 -3.165 53.247 1.00 9.37 C
+ATOM 715 N ALA A 121 42.736 -5.516 56.132 1.00 20.12 N
+ATOM 716 CA ALA A 121 43.833 -6.295 56.680 1.00 22.51 C
+ATOM 717 C ALA A 121 43.202 -7.519 57.352 1.00 21.70 C
+ATOM 718 O ALA A 121 43.713 -8.628 57.301 1.00 20.97 O
+ATOM 719 CB ALA A 121 44.680 -5.485 57.659 1.00 20.86 C
+ATOM 720 N GLU A 122 42.033 -7.336 57.945 1.00 15.44 N
+ATOM 721 CA GLU A 122 41.382 -8.450 58.580 1.00 16.12 C
+ATOM 722 C GLU A 122 40.867 -9.445 57.584 1.00 24.63 C
+ATOM 723 O GLU A 122 41.017 -10.657 57.727 1.00 21.44 O
+ATOM 724 CB GLU A 122 40.199 -7.961 59.425 1.00 22.55 C
+ATOM 725 CG GLU A 122 39.339 -9.123 59.983 1.00 32.20 C
+ATOM 726 CD GLU A 122 38.057 -8.624 60.580 1.00 33.05 C
+ATOM 727 OE1 GLU A 122 37.887 -7.465 60.869 1.00 39.58 O
+ATOM 728 OE2 GLU A 122 37.141 -9.544 60.712 1.00 34.86 O
+ATOM 729 N ALA A 123 40.203 -8.900 56.567 1.00 26.80 N
+ATOM 730 CA ALA A 123 39.585 -9.728 55.534 1.00 18.67 C
+ATOM 731 C ALA A 123 40.510 -10.354 54.502 1.00 13.67 C
+ATOM 732 O ALA A 123 40.194 -11.409 53.969 1.00 18.99 O
+ATOM 733 CB ALA A 123 38.429 -8.989 54.879 1.00 18.13 C
+ATOM 734 N ASP A 124 41.634 -9.725 54.187 1.00 15.64 N
+ATOM 735 CA ASP A 124 42.555 -10.239 53.181 1.00 14.75 C
+ATOM 736 C ASP A 124 41.919 -10.490 51.809 1.00 21.74 C
+ATOM 737 O ASP A 124 42.088 -11.517 51.160 1.00 21.07 O
+ATOM 738 CB ASP A 124 43.460 -11.371 53.681 1.00 19.60 C
+ATOM 739 CG ASP A 124 44.415 -11.884 52.627 1.00 42.49 C
+ATOM 740 OD1 ASP A 124 44.418 -13.044 52.240 1.00 28.24 O
+ATOM 741 OD2 ASP A 124 45.060 -10.921 52.006 1.00 36.54 O
+ATOM 742 N VAL A 125 41.146 -9.517 51.336 1.00 20.34 N
+ATOM 743 CA VAL A 125 40.503 -9.618 50.023 1.00 16.52 C
+ATOM 744 C VAL A 125 41.029 -8.422 49.238 1.00 20.88 C
+ATOM 745 O VAL A 125 41.555 -7.485 49.835 1.00 17.81 O
+ATOM 746 CB VAL A 125 38.955 -9.527 50.086 1.00 16.88 C
+ATOM 747 CG1 VAL A 125 38.278 -10.645 50.881 1.00 15.15 C
+ATOM 748 CG2 VAL A 125 38.461 -8.166 50.579 1.00 12.20 C
+ATOM 749 N PRO A 126 40.863 -8.403 47.921 1.00 17.23 N
+ATOM 750 CA PRO A 126 41.340 -7.264 47.127 1.00 13.75 C
+ATOM 751 C PRO A 126 40.682 -5.945 47.509 1.00 11.24 C
+ATOM 752 O PRO A 126 39.485 -5.876 47.802 1.00 14.28 O
+ATOM 753 CB PRO A 126 40.999 -7.609 45.658 1.00 13.42 C
+ATOM 754 CG PRO A 126 40.828 -9.122 45.614 1.00 15.61 C
+ATOM 755 CD PRO A 126 40.447 -9.541 47.033 1.00 18.46 C
+ATOM 756 N TRP A 127 41.481 -4.898 47.448 1.00 13.56 N
+ATOM 757 CA TRP A 127 41.030 -3.581 47.780 1.00 12.94 C
+ATOM 758 C TRP A 127 41.359 -2.610 46.650 1.00 15.42 C
+ATOM 759 O TRP A 127 42.519 -2.423 46.310 1.00 12.49 O
+ATOM 760 CB TRP A 127 41.773 -3.130 49.065 1.00 10.31 C
+ATOM 761 CG TRP A 127 41.252 -1.865 49.692 1.00 13.70 C
+ATOM 762 CD1 TRP A 127 40.087 -1.222 49.386 1.00 15.67 C
+ATOM 763 CD2 TRP A 127 41.851 -1.096 50.746 1.00 15.73 C
+ATOM 764 NE1 TRP A 127 39.919 -0.106 50.161 1.00 15.16 N
+ATOM 765 CE2 TRP A 127 40.988 -0.012 51.018 1.00 19.34 C
+ATOM 766 CE3 TRP A 127 43.010 -1.231 51.502 1.00 16.24 C
+ATOM 767 CZ2 TRP A 127 41.277 0.931 52.013 1.00 20.52 C
+ATOM 768 CZ3 TRP A 127 43.285 -0.295 52.474 1.00 15.36 C
+ATOM 769 CH2 TRP A 127 42.430 0.766 52.738 1.00 16.04 C
+ATOM 770 N VAL A 128 40.355 -1.962 46.079 1.00 9.06 N
+ATOM 771 CA VAL A 128 40.665 -0.998 45.042 1.00 8.83 C
+ATOM 772 C VAL A 128 40.815 0.366 45.702 1.00 14.97 C
+ATOM 773 O VAL A 128 39.866 0.850 46.336 1.00 18.38 O
+ATOM 774 CB VAL A 128 39.560 -0.853 43.971 1.00 15.19 C
+ATOM 775 CG1 VAL A 128 39.980 0.176 42.909 1.00 10.04 C
+ATOM 776 CG2 VAL A 128 39.167 -2.200 43.332 1.00 14.16 C
+ATOM 777 N LEU A 129 41.994 0.980 45.518 1.00 12.43 N
+ATOM 778 CA LEU A 129 42.322 2.322 46.031 1.00 13.45 C
+ATOM 779 C LEU A 129 42.152 3.291 44.869 1.00 15.66 C
+ATOM 780 O LEU A 129 43.019 3.393 43.978 1.00 17.01 O
+ATOM 781 CB LEU A 129 43.793 2.440 46.548 1.00 12.47 C
+ATOM 782 CG LEU A 129 44.148 1.473 47.664 1.00 17.85 C
+ATOM 783 CD1 LEU A 129 45.572 1.751 48.127 1.00 19.45 C
+ATOM 784 CD2 LEU A 129 43.182 1.685 48.822 1.00 12.91 C
+ATOM 785 N MET A 130 41.032 3.973 44.855 1.00 10.97 N
+ATOM 786 CA MET A 130 40.813 4.883 43.759 1.00 11.33 C
+ATOM 787 C MET A 130 41.375 6.231 44.089 1.00 14.96 C
+ATOM 788 O MET A 130 41.255 6.634 45.238 1.00 15.79 O
+ATOM 789 CB MET A 130 39.303 5.033 43.413 1.00 11.33 C
+ATOM 790 CG MET A 130 39.095 5.529 41.964 1.00 9.81 C
+ATOM 791 SD MET A 130 37.439 6.207 41.765 1.00 13.64 S
+ATOM 792 CE MET A 130 37.525 7.734 42.754 1.00 14.71 C
+ATOM 793 N HIS A 131 41.932 6.924 43.092 1.00 11.19 N
+ATOM 794 CA HIS A 131 42.486 8.244 43.325 1.00 14.54 C
+ATOM 795 C HIS A 131 41.443 9.331 43.303 1.00 18.03 C
+ATOM 796 O HIS A 131 40.706 9.491 42.331 1.00 12.51 O
+ATOM 797 CB HIS A 131 43.573 8.626 42.312 1.00 13.67 C
+ATOM 798 CG HIS A 131 44.156 9.976 42.630 1.00 13.33 C
+ATOM 799 ND1 HIS A 131 43.623 11.159 42.121 1.00 11.92 N
+ATOM 800 CD2 HIS A 131 45.228 10.288 43.403 1.00 14.22 C
+ATOM 801 CE1 HIS A 131 44.361 12.150 42.607 1.00 12.39 C
+ATOM 802 NE2 HIS A 131 45.333 11.658 43.376 1.00 12.42 N
+ATOM 803 N TRP A 132 41.398 10.108 44.375 1.00 12.34 N
+ATOM 804 CA TRP A 132 40.446 11.192 44.432 1.00 13.59 C
+ATOM 805 C TRP A 132 40.972 12.168 45.473 1.00 22.15 C
+ATOM 806 O TRP A 132 40.703 12.018 46.665 1.00 25.86 O
+ATOM 807 CB TRP A 132 39.041 10.691 44.867 1.00 14.49 C
+ATOM 808 CG TRP A 132 37.941 11.717 44.771 1.00 11.70 C
+ATOM 809 CD1 TRP A 132 38.060 13.019 44.398 1.00 12.64 C
+ATOM 810 CD2 TRP A 132 36.530 11.493 45.005 1.00 14.42 C
+ATOM 811 NE1 TRP A 132 36.822 13.637 44.406 1.00 16.29 N
+ATOM 812 CE2 TRP A 132 35.863 12.721 44.773 1.00 19.49 C
+ATOM 813 CE3 TRP A 132 35.780 10.361 45.360 1.00 18.32 C
+ATOM 814 CZ2 TRP A 132 34.470 12.841 44.912 1.00 20.84 C
+ATOM 815 CZ3 TRP A 132 34.409 10.476 45.495 1.00 19.72 C
+ATOM 816 CH2 TRP A 132 33.770 11.701 45.261 1.00 20.04 C
+ATOM 817 N ARG A 133 41.691 13.135 44.937 0.50 19.22 N
+ATOM 818 CA ARG A 133 42.274 14.181 45.740 0.50 24.73 C
+ATOM 819 C ARG A 133 41.532 15.491 45.558 0.50 30.73 C
+ATOM 820 O ARG A 133 41.655 16.168 44.546 0.50 39.62 O
+ATOM 821 CB ARG A 133 43.770 14.363 45.460 0.50 20.78 C
+ATOM 822 CG ARG A 133 44.253 15.816 45.523 0.50 25.07 C
+ATOM 823 CD ARG A 133 45.531 16.116 44.730 0.50 16.83 C
+ATOM 824 NE ARG A 133 46.766 15.621 45.358 0.50 4.83 N
+ATOM 825 CZ ARG A 133 47.021 15.689 46.676 0.50 51.46 C
+ATOM 826 NH1 ARG A 133 46.175 16.261 47.535 0.50 28.99 N
+ATOM 827 NH2 ARG A 133 48.166 15.205 47.163 0.50 33.82 N
+ATOM 828 N ALA A 134 40.721 15.846 46.528 1.00 19.36 N
+ATOM 829 CA ALA A 134 40.067 17.122 46.439 1.00 25.53 C
+ATOM 830 C ALA A 134 40.841 18.230 47.142 1.00 24.36 C
+ATOM 831 O ALA A 134 41.598 17.995 48.075 1.00 24.55 O
+ATOM 832 CB ALA A 134 38.670 17.000 47.037 1.00 32.01 C
+ATOM 833 N VAL A 135 40.619 19.454 46.703 1.00 22.63 N
+ATOM 834 CA VAL A 135 41.264 20.565 47.340 1.00 28.43 C
+ATOM 835 C VAL A 135 40.753 20.621 48.764 1.00 35.81 C
+ATOM 836 O VAL A 135 41.466 20.886 49.726 1.00 41.49 O
+ATOM 837 CB VAL A 135 40.836 21.850 46.688 1.00 42.04 C
+ATOM 838 CG1 VAL A 135 41.466 22.993 47.478 1.00 43.46 C
+ATOM 839 CG2 VAL A 135 41.207 21.859 45.210 1.00 43.85 C
+ATOM 840 N SER A 136 39.456 20.374 48.879 1.00 29.18 N
+ATOM 841 CA SER A 136 38.802 20.380 50.167 1.00 35.08 C
+ATOM 842 C SER A 136 37.657 19.386 50.253 1.00 42.26 C
+ATOM 843 O SER A 136 37.129 18.870 49.271 1.00 38.25 O
+ATOM 844 CB SER A 136 38.393 21.773 50.640 1.00 39.75 C
+ATOM 845 OG SER A 136 37.311 22.286 49.887 1.00 37.71 O
+ATOM 846 N ALA A 137 37.266 19.124 51.486 1.00 46.23 N
+ATOM 847 CA ALA A 137 36.186 18.208 51.773 1.00 46.10 C
+ATOM 848 C ALA A 137 34.831 18.720 51.260 1.00 39.56 C
+ATOM 849 O ALA A 137 33.990 17.937 50.790 1.00 33.82 O
+ATOM 850 CB ALA A 137 36.151 17.946 53.278 1.00 48.03 C
+ATOM 851 N ASP A 138 34.619 20.048 51.360 1.00 30.50 N
+ATOM 852 CA ASP A 138 33.360 20.636 50.913 1.00 34.84 C
+ATOM 853 C ASP A 138 33.289 20.883 49.397 1.00 39.03 C
+ATOM 854 O ASP A 138 32.258 21.316 48.884 1.00 37.96 O
+ATOM 855 CB ASP A 138 32.991 21.884 51.734 1.00 33.58 C
+ATOM 856 CG ASP A 138 34.017 22.969 51.594 1.00 37.40 C
+ATOM 857 OD1 ASP A 138 33.743 24.152 51.743 1.00 32.96 O
+ATOM 858 OD2 ASP A 138 35.220 22.505 51.313 1.00 35.60 O
+ATOM 859 N THR A 139 34.390 20.583 48.695 1.00 33.47 N
+ATOM 860 CA THR A 139 34.501 20.769 47.252 1.00 33.42 C
+ATOM 861 C THR A 139 35.059 19.535 46.539 1.00 26.63 C
+ATOM 862 O THR A 139 35.941 19.645 45.679 1.00 28.86 O
+ATOM 863 CB THR A 139 35.402 21.992 46.934 1.00 39.48 C
+ATOM 864 OG1 THR A 139 36.776 21.680 47.147 1.00 36.53 O
+ATOM 865 CG2 THR A 139 34.981 23.243 47.708 1.00 40.18 C
+ATOM 866 N PRO A 140 34.575 18.351 46.905 1.00 24.23 N
+ATOM 867 CA PRO A 140 35.055 17.096 46.321 1.00 23.23 C
+ATOM 868 C PRO A 140 35.018 17.047 44.787 1.00 26.90 C
+ATOM 869 O PRO A 140 35.793 16.325 44.157 1.00 24.83 O
+ATOM 870 CB PRO A 140 34.089 16.026 46.829 1.00 27.29 C
+ATOM 871 CG PRO A 140 32.792 16.772 47.110 1.00 35.56 C
+ATOM 872 CD PRO A 140 33.123 18.263 47.213 1.00 30.40 C
+ATOM 873 N HIS A 141 34.110 17.803 44.160 1.00 26.15 N
+ATOM 874 CA HIS A 141 33.992 17.767 42.702 1.00 23.00 C
+ATOM 875 C HIS A 141 34.634 18.909 41.910 1.00 22.02 C
+ATOM 876 O HIS A 141 34.646 18.946 40.666 1.00 18.86 O
+ATOM 877 CB HIS A 141 32.535 17.525 42.299 1.00 28.08 C
+ATOM 878 CG HIS A 141 32.071 16.261 42.919 1.00 36.33 C
+ATOM 879 ND1 HIS A 141 32.410 15.029 42.367 1.00 41.32 N
+ATOM 880 CD2 HIS A 141 31.350 16.059 44.062 1.00 37.33 C
+ATOM 881 CE1 HIS A 141 31.867 14.110 43.161 1.00 38.69 C
+ATOM 882 NE2 HIS A 141 31.227 14.698 44.184 1.00 37.03 N
+ATOM 883 N VAL A 142 35.191 19.854 42.618 1.00 15.43 N
+ATOM 884 CA VAL A 142 35.836 20.946 41.932 1.00 15.69 C
+ATOM 885 C VAL A 142 37.113 20.380 41.383 1.00 19.00 C
+ATOM 886 O VAL A 142 37.869 19.777 42.134 1.00 17.14 O
+ATOM 887 CB VAL A 142 36.145 22.054 42.928 1.00 21.98 C
+ATOM 888 CG1 VAL A 142 36.941 23.159 42.177 1.00 20.32 C
+ATOM 889 CG2 VAL A 142 34.801 22.587 43.456 1.00 20.39 C
+ATOM 890 N PRO A 143 37.379 20.521 40.103 1.00 17.51 N
+ATOM 891 CA PRO A 143 38.598 19.891 39.617 1.00 15.23 C
+ATOM 892 C PRO A 143 39.853 20.500 40.205 1.00 21.13 C
+ATOM 893 O PRO A 143 39.980 21.720 40.322 1.00 17.85 O
+ATOM 894 CB PRO A 143 38.624 20.029 38.101 1.00 15.54 C
+ATOM 895 CG PRO A 143 37.375 20.835 37.755 1.00 24.15 C
+ATOM 896 CD PRO A 143 36.777 21.381 39.050 1.00 17.35 C
+ATOM 897 N VAL A 144 40.791 19.627 40.548 1.00 17.45 N
+ATOM 898 CA VAL A 144 42.048 20.089 41.096 1.00 18.23 C
+ATOM 899 C VAL A 144 42.931 20.652 39.993 1.00 19.81 C
+ATOM 900 O VAL A 144 43.058 20.070 38.933 1.00 17.70 O
+ATOM 901 CB VAL A 144 42.742 18.934 41.801 1.00 18.19 C
+ATOM 902 CG1 VAL A 144 44.213 19.257 42.108 1.00 14.73 C
+ATOM 903 CG2 VAL A 144 41.959 18.599 43.073 1.00 17.76 C
+ATOM 904 N ARG A 145 43.565 21.778 40.253 1.00 20.71 N
+ATOM 905 CA ARG A 145 44.459 22.380 39.286 1.00 30.07 C
+ATOM 906 C ARG A 145 45.844 21.719 39.388 1.00 35.85 C
+ATOM 907 O ARG A 145 46.722 22.086 40.176 1.00 46.66 O
+ATOM 908 CB ARG A 145 44.483 23.898 39.496 1.00 44.88 C
+ATOM 909 CG ARG A 145 45.539 24.645 38.690 1.00 87.96 C
+ATOM 910 CD ARG A 145 46.904 24.756 39.376 1.00 96.13 C
+ATOM 911 NE ARG A 145 47.457 26.110 39.470 1.00 93.64 N
+ATOM 912 CZ ARG A 145 47.209 27.142 38.649 1.00100.00 C
+ATOM 913 NH1 ARG A 145 46.386 27.070 37.595 1.00100.00 N
+ATOM 914 NH2 ARG A 145 47.807 28.309 38.900 1.00100.00 N
+ATOM 915 N TYR A 146 46.042 20.679 38.601 1.00 18.52 N
+ATOM 916 CA TYR A 146 47.294 19.925 38.592 1.00 16.77 C
+ATOM 917 C TYR A 146 48.414 20.535 37.772 1.00 25.96 C
+ATOM 918 O TYR A 146 48.188 21.026 36.658 1.00 21.25 O
+ATOM 919 CB TYR A 146 47.073 18.528 37.962 1.00 16.33 C
+ATOM 920 CG TYR A 146 46.247 17.655 38.858 1.00 16.76 C
+ATOM 921 CD1 TYR A 146 44.881 17.485 38.627 1.00 17.47 C
+ATOM 922 CD2 TYR A 146 46.849 17.044 39.962 1.00 14.27 C
+ATOM 923 CE1 TYR A 146 44.102 16.692 39.469 1.00 16.79 C
+ATOM 924 CE2 TYR A 146 46.073 16.279 40.831 1.00 14.15 C
+ATOM 925 CZ TYR A 146 44.711 16.093 40.574 1.00 24.55 C
+ATOM 926 OH TYR A 146 43.966 15.300 41.418 1.00 19.94 O
+ATOM 927 N GLY A 147 49.643 20.426 38.297 1.00 21.17 N
+ATOM 928 CA GLY A 147 50.818 20.876 37.560 1.00 21.75 C
+ATOM 929 C GLY A 147 51.253 19.715 36.665 1.00 22.23 C
+ATOM 930 O GLY A 147 51.661 19.864 35.513 1.00 23.35 O
+ATOM 931 N ASN A 148 51.153 18.507 37.211 1.00 10.95 N
+ATOM 932 CA ASN A 148 51.504 17.312 36.463 1.00 12.63 C
+ATOM 933 C ASN A 148 50.654 16.205 37.030 1.00 14.05 C
+ATOM 934 O ASN A 148 51.033 15.514 37.973 1.00 12.02 O
+ATOM 935 CB ASN A 148 53.024 17.019 36.523 1.00 18.57 C
+ATOM 936 CG ASN A 148 53.434 15.772 35.768 1.00 20.72 C
+ATOM 937 OD1 ASN A 148 52.597 14.905 35.504 1.00 13.11 O
+ATOM 938 ND2 ASN A 148 54.733 15.652 35.466 1.00 20.09 N
+ATOM 939 N VAL A 149 49.449 16.107 36.474 1.00 14.53 N
+ATOM 940 CA VAL A 149 48.448 15.154 36.938 1.00 11.34 C
+ATOM 941 C VAL A 149 48.931 13.708 37.019 1.00 11.90 C
+ATOM 942 O VAL A 149 48.683 12.966 37.972 1.00 12.50 O
+ATOM 943 CB VAL A 149 47.099 15.356 36.235 1.00 11.30 C
+ATOM 944 CG1 VAL A 149 47.149 14.933 34.751 1.00 14.22 C
+ATOM 945 CG2 VAL A 149 46.063 14.543 36.982 1.00 10.53 C
+ATOM 946 N VAL A 150 49.666 13.290 35.995 1.00 13.74 N
+ATOM 947 CA VAL A 150 50.179 11.938 35.987 1.00 12.78 C
+ATOM 948 C VAL A 150 51.057 11.696 37.214 1.00 18.92 C
+ATOM 949 O VAL A 150 50.889 10.734 37.983 1.00 16.01 O
+ATOM 950 CB VAL A 150 50.956 11.668 34.699 1.00 17.78 C
+ATOM 951 CG1 VAL A 150 51.573 10.269 34.750 1.00 16.98 C
+ATOM 952 CG2 VAL A 150 50.011 11.772 33.506 1.00 14.19 C
+ATOM 953 N ALA A 151 52.039 12.575 37.359 1.00 13.52 N
+ATOM 954 CA ALA A 151 52.952 12.463 38.498 1.00 16.85 C
+ATOM 955 C ALA A 151 52.269 12.602 39.860 1.00 13.28 C
+ATOM 956 O ALA A 151 52.676 11.938 40.815 1.00 14.88 O
+ATOM 957 CB ALA A 151 54.050 13.522 38.414 1.00 21.61 C
+ATOM 958 N GLU A 152 51.296 13.507 39.953 1.00 12.95 N
+ATOM 959 CA GLU A 152 50.609 13.719 41.224 1.00 12.23 C
+ATOM 960 C GLU A 152 49.725 12.547 41.540 1.00 15.74 C
+ATOM 961 O GLU A 152 49.689 12.032 42.649 1.00 17.16 O
+ATOM 962 CB GLU A 152 49.874 15.062 41.291 1.00 14.73 C
+ATOM 963 CG GLU A 152 50.869 16.233 41.066 1.00 20.28 C
+ATOM 964 CD GLU A 152 50.233 17.603 41.087 1.00 40.87 C
+ATOM 965 OE1 GLU A 152 49.495 17.944 41.977 1.00 18.56 O
+ATOM 966 OE2 GLU A 152 50.584 18.405 40.094 1.00 18.62 O
+ATOM 967 N VAL A 153 49.025 12.083 40.528 1.00 10.85 N
+ATOM 968 CA VAL A 153 48.190 10.945 40.766 1.00 12.30 C
+ATOM 969 C VAL A 153 49.015 9.726 41.229 1.00 15.34 C
+ATOM 970 O VAL A 153 48.685 8.992 42.150 1.00 13.86 O
+ATOM 971 CB VAL A 153 47.371 10.654 39.506 1.00 13.80 C
+ATOM 972 CG1 VAL A 153 46.784 9.233 39.609 1.00 11.83 C
+ATOM 973 CG2 VAL A 153 46.286 11.739 39.341 1.00 12.50 C
+ATOM 974 N ARG A 154 50.125 9.485 40.556 1.00 14.45 N
+ATOM 975 CA ARG A 154 50.963 8.373 40.905 1.00 8.76 C
+ATOM 976 C ARG A 154 51.431 8.499 42.348 1.00 16.19 C
+ATOM 977 O ARG A 154 51.305 7.598 43.149 1.00 16.38 O
+ATOM 978 CB ARG A 154 52.171 8.341 39.965 1.00 16.34 C
+ATOM 979 CG ARG A 154 53.143 7.211 40.282 1.00 14.39 C
+ATOM 980 CD ARG A 154 54.474 7.405 39.561 1.00 25.58 C
+ATOM 981 NE ARG A 154 54.631 6.540 38.396 1.00100.00 N
+ATOM 982 CZ ARG A 154 55.342 5.414 38.380 1.00100.00 C
+ATOM 983 NH1 ARG A 154 55.991 4.955 39.453 1.00100.00 N
+ATOM 984 NH2 ARG A 154 55.404 4.730 37.246 1.00 37.26 N
+ATOM 985 N ALA A 155 52.007 9.637 42.682 1.00 12.83 N
+ATOM 986 CA ALA A 155 52.495 9.831 44.034 1.00 12.69 C
+ATOM 987 C ALA A 155 51.399 9.615 45.058 1.00 16.75 C
+ATOM 988 O ALA A 155 51.607 9.028 46.122 1.00 16.55 O
+ATOM 989 CB ALA A 155 53.034 11.255 44.169 1.00 13.79 C
+ATOM 990 N ASP A 156 50.223 10.131 44.771 1.00 11.89 N
+ATOM 991 CA ASP A 156 49.118 9.977 45.693 1.00 12.48 C
+ATOM 992 C ASP A 156 48.744 8.517 45.875 1.00 21.97 C
+ATOM 993 O ASP A 156 48.528 7.995 46.970 1.00 19.83 O
+ATOM 994 CB ASP A 156 47.907 10.782 45.202 1.00 12.34 C
+ATOM 995 CG ASP A 156 48.092 12.255 45.438 1.00 19.82 C
+ATOM 996 OD1 ASP A 156 48.975 12.748 46.132 1.00 22.73 O
+ATOM 997 OD2 ASP A 156 47.189 12.971 44.838 1.00 14.24 O
+ATOM 998 N LEU A 157 48.651 7.817 44.777 1.00 14.00 N
+ATOM 999 CA LEU A 157 48.294 6.423 44.887 1.00 11.97 C
+ATOM 1000 C LEU A 157 49.316 5.627 45.679 1.00 16.77 C
+ATOM 1001 O LEU A 157 48.951 4.778 46.496 1.00 17.11 O
+ATOM 1002 CB LEU A 157 48.073 5.833 43.476 1.00 12.75 C
+ATOM 1003 CG LEU A 157 46.738 6.234 42.844 1.00 14.10 C
+ATOM 1004 CD1 LEU A 157 46.824 5.890 41.370 1.00 16.76 C
+ATOM 1005 CD2 LEU A 157 45.592 5.433 43.469 1.00 17.67 C
+ATOM 1006 N LEU A 158 50.611 5.863 45.430 1.00 15.18 N
+ATOM 1007 CA LEU A 158 51.658 5.136 46.152 1.00 16.07 C
+ATOM 1008 C LEU A 158 51.609 5.459 47.641 1.00 20.63 C
+ATOM 1009 O LEU A 158 51.851 4.625 48.503 1.00 18.89 O
+ATOM 1010 CB LEU A 158 53.070 5.325 45.581 1.00 17.83 C
+ATOM 1011 CG LEU A 158 53.209 4.951 44.107 1.00 23.75 C
+ATOM 1012 CD1 LEU A 158 54.667 5.054 43.673 1.00 22.02 C
+ATOM 1013 CD2 LEU A 158 52.715 3.540 43.869 1.00 32.55 C
+ATOM 1014 N ALA A 159 51.230 6.678 47.960 1.00 12.34 N
+ATOM 1015 CA ALA A 159 51.107 6.980 49.362 1.00 13.32 C
+ATOM 1016 C ALA A 159 49.946 6.213 49.974 1.00 21.98 C
+ATOM 1017 O ALA A 159 50.009 5.781 51.127 1.00 19.92 O
+ATOM 1018 CB ALA A 159 50.950 8.468 49.579 1.00 16.00 C
+ATOM 1019 N SER A 160 48.855 6.061 49.210 1.00 14.81 N
+ATOM 1020 CA SER A 160 47.706 5.324 49.703 1.00 13.39 C
+ATOM 1021 C SER A 160 48.064 3.853 49.870 1.00 21.98 C
+ATOM 1022 O SER A 160 47.552 3.156 50.740 1.00 20.41 O
+ATOM 1023 CB SER A 160 46.507 5.485 48.789 1.00 16.05 C
+ATOM 1024 OG SER A 160 46.227 6.862 48.729 1.00 21.81 O
+ATOM 1025 N VAL A 161 48.954 3.377 49.013 1.00 14.74 N
+ATOM 1026 CA VAL A 161 49.415 2.006 49.123 1.00 14.13 C
+ATOM 1027 C VAL A 161 50.153 1.917 50.461 1.00 21.88 C
+ATOM 1028 O VAL A 161 49.801 1.126 51.322 1.00 24.97 O
+ATOM 1029 CB VAL A 161 50.371 1.700 47.976 1.00 19.02 C
+ATOM 1030 CG1 VAL A 161 51.075 0.355 48.172 1.00 18.93 C
+ATOM 1031 CG2 VAL A 161 49.613 1.719 46.636 1.00 21.13 C
+ATOM 1032 N ALA A 162 51.161 2.773 50.666 1.00 23.57 N
+ATOM 1033 CA ALA A 162 51.894 2.776 51.925 1.00 22.08 C
+ATOM 1034 C ALA A 162 50.948 2.750 53.110 1.00 24.59 C
+ATOM 1035 O ALA A 162 51.156 1.987 54.059 1.00 25.13 O
+ATOM 1036 CB ALA A 162 52.838 3.952 52.055 1.00 22.57 C
+ATOM 1037 N ASP A 163 49.887 3.560 53.041 1.00 20.62 N
+ATOM 1038 CA ASP A 163 48.898 3.626 54.115 1.00 21.24 C
+ATOM 1039 C ASP A 163 48.239 2.291 54.366 1.00 31.16 C
+ATOM 1040 O ASP A 163 48.088 1.861 55.513 1.00 31.07 O
+ATOM 1041 CB ASP A 163 47.816 4.706 53.936 1.00 23.16 C
+ATOM 1042 CG ASP A 163 48.307 6.136 54.097 1.00 35.37 C
+ATOM 1043 OD1 ASP A 163 49.394 6.440 54.541 1.00 30.59 O
+ATOM 1044 OD2 ASP A 163 47.474 7.027 53.620 1.00 47.06 O
+ATOM 1045 N ALA A 164 47.823 1.642 53.283 1.00 21.07 N
+ATOM 1046 CA ALA A 164 47.173 0.346 53.382 1.00 20.70 C
+ATOM 1047 C ALA A 164 48.129 -0.702 53.963 1.00 20.61 C
+ATOM 1048 O ALA A 164 47.802 -1.484 54.838 1.00 19.77 O
+ATOM 1049 CB ALA A 164 46.687 -0.070 51.993 1.00 20.42 C
+ATOM 1050 N VAL A 165 49.335 -0.698 53.465 1.00 18.00 N
+ATOM 1051 CA VAL A 165 50.327 -1.648 53.899 1.00 26.47 C
+ATOM 1052 C VAL A 165 50.579 -1.521 55.382 1.00 33.36 C
+ATOM 1053 O VAL A 165 50.659 -2.485 56.137 1.00 31.04 O
+ATOM 1054 CB VAL A 165 51.644 -1.354 53.204 1.00 32.90 C
+ATOM 1055 CG1 VAL A 165 52.787 -1.839 54.095 1.00 32.52 C
+ATOM 1056 CG2 VAL A 165 51.668 -2.041 51.840 1.00 31.42 C
+ATOM 1057 N ALA A 166 50.736 -0.285 55.774 1.00 22.57 N
+ATOM 1058 CA ALA A 166 50.990 -0.008 57.149 1.00 24.18 C
+ATOM 1059 C ALA A 166 49.897 -0.567 58.021 1.00 34.02 C
+ATOM 1060 O ALA A 166 50.144 -0.822 59.202 1.00 35.37 O
+ATOM 1061 CB ALA A 166 51.104 1.482 57.339 1.00 26.29 C
+ATOM 1062 N ALA A 167 48.689 -0.743 57.449 1.00 27.97 N
+ATOM 1063 CA ALA A 167 47.543 -1.274 58.191 1.00 22.23 C
+ATOM 1064 C ALA A 167 47.540 -2.803 58.228 1.00 26.66 C
+ATOM 1065 O ALA A 167 46.663 -3.439 58.821 1.00 30.92 O
+ATOM 1066 CB ALA A 167 46.222 -0.729 57.672 1.00 19.05 C
+ATOM 1067 N GLY A 168 48.528 -3.417 57.578 1.00 22.21 N
+ATOM 1068 CA GLY A 168 48.563 -4.865 57.580 1.00 23.28 C
+ATOM 1069 C GLY A 168 48.019 -5.469 56.299 1.00 32.28 C
+ATOM 1070 O GLY A 168 47.878 -6.684 56.147 1.00 29.91 O
+ATOM 1071 N VAL A 169 47.709 -4.628 55.328 1.00 28.18 N
+ATOM 1072 CA VAL A 169 47.207 -5.196 54.096 1.00 23.14 C
+ATOM 1073 C VAL A 169 48.351 -5.714 53.240 1.00 25.50 C
+ATOM 1074 O VAL A 169 49.380 -5.057 53.114 1.00 27.91 O
+ATOM 1075 CB VAL A 169 46.463 -4.126 53.309 1.00 25.85 C
+ATOM 1076 CG1 VAL A 169 46.163 -4.626 51.888 1.00 26.14 C
+ATOM 1077 CG2 VAL A 169 45.199 -3.724 54.069 1.00 22.96 C
+ATOM 1078 N ASP A 170 48.184 -6.887 52.640 1.00 19.66 N
+ATOM 1079 CA ASP A 170 49.202 -7.397 51.747 1.00 18.88 C
+ATOM 1080 C ASP A 170 49.054 -6.612 50.435 1.00 31.51 C
+ATOM 1081 O ASP A 170 47.976 -6.468 49.844 1.00 23.38 O
+ATOM 1082 CB ASP A 170 49.015 -8.897 51.473 1.00 22.65 C
+ATOM 1083 CG ASP A 170 49.844 -9.422 50.334 1.00 30.34 C
+ATOM 1084 OD1 ASP A 170 50.807 -8.853 49.859 1.00 36.83 O
+ATOM 1085 OD2 ASP A 170 49.435 -10.597 49.932 1.00 38.97 O
+ATOM 1086 N PRO A 171 50.165 -6.071 49.982 1.00 35.48 N
+ATOM 1087 CA PRO A 171 50.179 -5.285 48.768 1.00 32.63 C
+ATOM 1088 C PRO A 171 49.600 -6.012 47.581 1.00 25.07 C
+ATOM 1089 O PRO A 171 49.085 -5.411 46.653 1.00 27.62 O
+ATOM 1090 CB PRO A 171 51.662 -5.031 48.481 1.00 36.65 C
+ATOM 1091 CG PRO A 171 52.485 -5.818 49.490 1.00 39.06 C
+ATOM 1092 CD PRO A 171 51.520 -6.224 50.583 1.00 34.76 C
+ATOM 1093 N ALA A 172 49.752 -7.316 47.601 1.00 22.71 N
+ATOM 1094 CA ALA A 172 49.317 -8.165 46.519 1.00 22.03 C
+ATOM 1095 C ALA A 172 47.832 -8.098 46.324 1.00 20.70 C
+ATOM 1096 O ALA A 172 47.292 -8.494 45.289 1.00 23.59 O
+ATOM 1097 CB ALA A 172 49.729 -9.591 46.803 1.00 25.79 C
+ATOM 1098 N ARG A 173 47.175 -7.585 47.343 1.00 17.44 N
+ATOM 1099 CA ARG A 173 45.733 -7.498 47.248 1.00 17.17 C
+ATOM 1100 C ARG A 173 45.277 -6.158 46.730 1.00 17.80 C
+ATOM 1101 O ARG A 173 44.090 -5.958 46.504 1.00 19.14 O
+ATOM 1102 CB ARG A 173 45.100 -7.730 48.604 1.00 14.39 C
+ATOM 1103 CG ARG A 173 45.361 -9.150 49.111 1.00 13.66 C
+ATOM 1104 CD ARG A 173 44.582 -10.221 48.374 1.00 18.64 C
+ATOM 1105 NE ARG A 173 44.667 -11.512 49.072 1.00 20.97 N
+ATOM 1106 CZ ARG A 173 44.397 -12.708 48.529 1.00 61.34 C
+ATOM 1107 NH1 ARG A 173 43.985 -12.871 47.265 1.00 25.92 N
+ATOM 1108 NH2 ARG A 173 44.534 -13.790 49.293 1.00 32.86 N
+ATOM 1109 N LEU A 174 46.217 -5.236 46.582 1.00 15.50 N
+ATOM 1110 CA LEU A 174 45.837 -3.919 46.156 1.00 12.97 C
+ATOM 1111 C LEU A 174 45.645 -3.721 44.666 1.00 18.48 C
+ATOM 1112 O LEU A 174 46.297 -4.366 43.855 1.00 14.20 O
+ATOM 1113 CB LEU A 174 46.806 -2.895 46.713 1.00 15.62 C
+ATOM 1114 CG LEU A 174 46.767 -2.906 48.227 1.00 13.46 C
+ATOM 1115 CD1 LEU A 174 47.967 -2.123 48.715 1.00 16.44 C
+ATOM 1116 CD2 LEU A 174 45.475 -2.265 48.691 1.00 13.94 C
+ATOM 1117 N VAL A 175 44.746 -2.793 44.335 1.00 13.59 N
+ATOM 1118 CA VAL A 175 44.493 -2.429 42.962 1.00 11.99 C
+ATOM 1119 C VAL A 175 44.454 -0.915 42.900 1.00 17.44 C
+ATOM 1120 O VAL A 175 43.825 -0.267 43.724 1.00 17.01 O
+ATOM 1121 CB VAL A 175 43.190 -3.044 42.481 1.00 14.61 C
+ATOM 1122 CG1 VAL A 175 42.878 -2.542 41.069 1.00 18.82 C
+ATOM 1123 CG2 VAL A 175 43.309 -4.557 42.469 1.00 11.65 C
+ATOM 1124 N LEU A 176 45.139 -0.326 41.943 1.00 12.54 N
+ATOM 1125 CA LEU A 176 45.132 1.114 41.799 1.00 11.00 C
+ATOM 1126 C LEU A 176 44.109 1.491 40.742 1.00 19.03 C
+ATOM 1127 O LEU A 176 43.878 0.754 39.781 1.00 15.42 O
+ATOM 1128 CB LEU A 176 46.459 1.641 41.216 1.00 9.97 C
+ATOM 1129 CG LEU A 176 47.687 1.242 42.017 1.00 15.70 C
+ATOM 1130 CD1 LEU A 176 48.873 2.029 41.495 1.00 15.58 C
+ATOM 1131 CD2 LEU A 176 47.451 1.641 43.468 1.00 17.95 C
+ATOM 1132 N ASP A 177 43.543 2.672 40.934 1.00 14.30 N
+ATOM 1133 CA ASP A 177 42.591 3.271 40.010 1.00 13.10 C
+ATOM 1134 C ASP A 177 42.801 4.777 40.046 1.00 12.99 C
+ATOM 1135 O ASP A 177 42.712 5.395 41.101 1.00 12.10 O
+ATOM 1136 CB ASP A 177 41.148 2.837 40.279 1.00 9.02 C
+ATOM 1137 CG ASP A 177 40.179 3.442 39.329 1.00 14.44 C
+ATOM 1138 OD1 ASP A 177 40.385 4.470 38.698 1.00 15.25 O
+ATOM 1139 OD2 ASP A 177 39.119 2.702 39.205 1.00 12.48 O
+ATOM 1140 N PRO A 178 43.112 5.358 38.880 1.00 14.21 N
+ATOM 1141 CA PRO A 178 43.374 6.788 38.775 1.00 9.10 C
+ATOM 1142 C PRO A 178 42.155 7.655 39.016 1.00 10.60 C
+ATOM 1143 O PRO A 178 42.301 8.856 39.087 1.00 15.03 O
+ATOM 1144 CB PRO A 178 43.922 7.011 37.378 1.00 9.64 C
+ATOM 1145 CG PRO A 178 43.379 5.868 36.559 1.00 14.23 C
+ATOM 1146 CD PRO A 178 43.194 4.718 37.539 1.00 14.37 C
+ATOM 1147 N GLY A 179 40.959 7.083 39.166 1.00 7.86 N
+ATOM 1148 CA GLY A 179 39.774 7.899 39.456 1.00 8.63 C
+ATOM 1149 C GLY A 179 39.435 8.903 38.360 1.00 11.77 C
+ATOM 1150 O GLY A 179 39.325 10.108 38.555 1.00 8.45 O
+ATOM 1151 N LEU A 180 39.234 8.396 37.160 1.00 9.54 N
+ATOM 1152 CA LEU A 180 38.924 9.327 36.096 1.00 8.42 C
+ATOM 1153 C LEU A 180 37.702 10.193 36.377 1.00 9.86 C
+ATOM 1154 O LEU A 180 36.667 9.687 36.807 1.00 14.93 O
+ATOM 1155 CB LEU A 180 38.756 8.573 34.747 1.00 8.51 C
+ATOM 1156 CG LEU A 180 39.989 7.744 34.352 1.00 9.91 C
+ATOM 1157 CD1 LEU A 180 39.668 6.858 33.142 1.00 10.45 C
+ATOM 1158 CD2 LEU A 180 41.164 8.658 34.026 1.00 9.09 C
+ATOM 1159 N GLY A 181 37.840 11.484 36.087 1.00 9.19 N
+ATOM 1160 CA GLY A 181 36.800 12.461 36.259 1.00 7.72 C
+ATOM 1161 C GLY A 181 36.529 12.865 37.699 1.00 11.48 C
+ATOM 1162 O GLY A 181 35.674 13.707 37.966 1.00 11.94 O
+ATOM 1163 N PHE A 182 37.221 12.286 38.672 1.00 11.98 N
+ATOM 1164 CA PHE A 182 36.955 12.707 40.052 1.00 11.02 C
+ATOM 1165 C PHE A 182 37.860 13.882 40.406 1.00 10.23 C
+ATOM 1166 O PHE A 182 39.053 13.693 40.650 1.00 13.28 O
+ATOM 1167 CB PHE A 182 37.235 11.549 41.007 1.00 12.37 C
+ATOM 1168 CG PHE A 182 36.135 10.518 40.985 1.00 15.74 C
+ATOM 1169 CD1 PHE A 182 36.200 9.438 40.102 1.00 14.74 C
+ATOM 1170 CD2 PHE A 182 35.055 10.614 41.864 1.00 17.50 C
+ATOM 1171 CE1 PHE A 182 35.197 8.472 40.089 1.00 14.93 C
+ATOM 1172 CE2 PHE A 182 34.052 9.648 41.875 1.00 18.13 C
+ATOM 1173 CZ PHE A 182 34.130 8.577 40.984 1.00 15.57 C
+ATOM 1174 N ALA A 183 37.306 15.080 40.424 1.00 10.30 N
+ATOM 1175 CA ALA A 183 38.083 16.276 40.675 1.00 15.43 C
+ATOM 1176 C ALA A 183 39.157 16.408 39.600 1.00 12.84 C
+ATOM 1177 O ALA A 183 40.263 16.897 39.843 1.00 13.52 O
+ATOM 1178 CB ALA A 183 38.657 16.346 42.090 1.00 14.29 C
+ATOM 1179 N LYS A 184 38.801 15.948 38.392 1.00 10.78 N
+ATOM 1180 CA LYS A 184 39.680 15.959 37.220 1.00 10.05 C
+ATOM 1181 C LYS A 184 38.924 16.377 35.968 1.00 14.08 C
+ATOM 1182 O LYS A 184 37.755 16.018 35.807 1.00 11.62 O
+ATOM 1183 CB LYS A 184 40.272 14.569 36.936 1.00 12.48 C
+ATOM 1184 CG LYS A 184 41.109 14.031 38.093 1.00 11.00 C
+ATOM 1185 CD LYS A 184 41.547 12.599 37.895 1.00 11.41 C
+ATOM 1186 CE LYS A 184 42.302 12.060 39.102 1.00 16.47 C
+ATOM 1187 NZ LYS A 184 41.387 11.742 40.211 1.00 9.32 N
+ATOM 1188 N THR A 185 39.612 17.102 35.073 1.00 12.85 N
+ATOM 1189 CA THR A 185 39.026 17.532 33.808 1.00 12.19 C
+ATOM 1190 C THR A 185 39.177 16.436 32.776 1.00 13.93 C
+ATOM 1191 O THR A 185 39.909 15.459 32.954 1.00 12.70 O
+ATOM 1192 CB THR A 185 39.779 18.758 33.229 1.00 10.60 C
+ATOM 1193 OG1 THR A 185 41.140 18.440 32.970 1.00 9.54 O
+ATOM 1194 CG2 THR A 185 39.705 19.931 34.220 1.00 12.11 C
+ATOM 1195 N ALA A 186 38.529 16.645 31.641 1.00 15.20 N
+ATOM 1196 CA ALA A 186 38.677 15.712 30.538 1.00 15.36 C
+ATOM 1197 C ALA A 186 40.148 15.664 30.130 1.00 12.16 C
+ATOM 1198 O ALA A 186 40.675 14.584 29.845 1.00 11.14 O
+ATOM 1199 CB ALA A 186 37.846 16.185 29.355 1.00 11.74 C
+ATOM 1200 N GLN A 187 40.812 16.852 30.097 1.00 8.72 N
+ATOM 1201 CA GLN A 187 42.222 16.902 29.735 1.00 9.20 C
+ATOM 1202 C GLN A 187 43.084 16.069 30.675 1.00 14.58 C
+ATOM 1203 O GLN A 187 43.961 15.330 30.216 1.00 11.12 O
+ATOM 1204 CB GLN A 187 42.783 18.313 29.542 1.00 15.64 C
+ATOM 1205 CG GLN A 187 42.578 18.817 28.087 1.00 76.06 C
+ATOM 1206 CD GLN A 187 42.619 17.743 26.984 1.00100.00 C
+ATOM 1207 OE1 GLN A 187 43.671 17.128 26.722 1.00 99.45 O
+ATOM 1208 NE2 GLN A 187 41.495 17.548 26.269 1.00 50.25 N
+ATOM 1209 N HIS A 188 42.801 16.163 31.984 1.00 11.28 N
+ATOM 1210 CA HIS A 188 43.548 15.354 32.946 1.00 9.34 C
+ATOM 1211 C HIS A 188 43.335 13.887 32.631 1.00 9.79 C
+ATOM 1212 O HIS A 188 44.265 13.071 32.704 1.00 10.82 O
+ATOM 1213 CB HIS A 188 43.100 15.563 34.413 1.00 9.67 C
+ATOM 1214 CG HIS A 188 43.194 16.963 34.951 1.00 15.60 C
+ATOM 1215 ND1 HIS A 188 44.249 17.831 34.636 1.00 21.13 N
+ATOM 1216 CD2 HIS A 188 42.356 17.622 35.810 1.00 13.89 C
+ATOM 1217 CE1 HIS A 188 44.020 18.992 35.264 1.00 13.27 C
+ATOM 1218 NE2 HIS A 188 42.888 18.893 35.965 1.00 17.27 N
+ATOM 1219 N ASN A 189 42.078 13.556 32.325 1.00 10.23 N
+ATOM 1220 CA ASN A 189 41.695 12.179 32.026 1.00 12.09 C
+ATOM 1221 C ASN A 189 42.518 11.610 30.898 1.00 14.93 C
+ATOM 1222 O ASN A 189 43.071 10.513 31.018 1.00 13.03 O
+ATOM 1223 CB ASN A 189 40.194 12.032 31.685 1.00 11.13 C
+ATOM 1224 CG ASN A 189 39.329 12.154 32.939 1.00 16.34 C
+ATOM 1225 OD1 ASN A 189 39.840 12.212 34.073 1.00 13.72 O
+ATOM 1226 ND2 ASN A 189 38.020 12.148 32.771 1.00 9.92 N
+ATOM 1227 N TRP A 190 42.563 12.363 29.796 1.00 15.25 N
+ATOM 1228 CA TRP A 190 43.304 11.909 28.623 1.00 13.80 C
+ATOM 1229 C TRP A 190 44.784 11.775 28.920 1.00 10.82 C
+ATOM 1230 O TRP A 190 45.447 10.834 28.446 1.00 12.76 O
+ATOM 1231 CB TRP A 190 43.016 12.754 27.368 1.00 11.69 C
+ATOM 1232 CG TRP A 190 41.588 12.625 26.934 1.00 9.05 C
+ATOM 1233 CD1 TRP A 190 40.689 13.621 26.908 1.00 11.27 C
+ATOM 1234 CD2 TRP A 190 40.913 11.452 26.441 1.00 9.41 C
+ATOM 1235 NE1 TRP A 190 39.486 13.160 26.455 1.00 12.32 N
+ATOM 1236 CE2 TRP A 190 39.583 11.832 26.170 1.00 10.57 C
+ATOM 1237 CE3 TRP A 190 41.312 10.127 26.222 1.00 8.55 C
+ATOM 1238 CZ2 TRP A 190 38.636 10.945 25.671 1.00 10.49 C
+ATOM 1239 CZ3 TRP A 190 40.371 9.239 25.749 1.00 11.29 C
+ATOM 1240 CH2 TRP A 190 39.053 9.650 25.460 1.00 12.15 C
+ATOM 1241 N ALA A 191 45.291 12.690 29.751 1.00 10.26 N
+ATOM 1242 CA ALA A 191 46.697 12.661 30.127 1.00 10.50 C
+ATOM 1243 C ALA A 191 47.040 11.400 30.908 1.00 8.96 C
+ATOM 1244 O ALA A 191 48.067 10.731 30.697 1.00 12.61 O
+ATOM 1245 CB ALA A 191 47.051 13.890 30.946 1.00 14.11 C
+ATOM 1246 N ILE A 192 46.134 11.057 31.810 1.00 14.16 N
+ATOM 1247 CA ILE A 192 46.318 9.858 32.623 1.00 12.49 C
+ATOM 1248 C ILE A 192 46.290 8.626 31.753 1.00 10.17 C
+ATOM 1249 O ILE A 192 47.132 7.748 31.904 1.00 13.47 O
+ATOM 1250 CB ILE A 192 45.302 9.762 33.764 1.00 13.98 C
+ATOM 1251 CG1 ILE A 192 45.601 10.836 34.817 1.00 9.76 C
+ATOM 1252 CG2 ILE A 192 45.329 8.347 34.367 1.00 14.22 C
+ATOM 1253 CD1 ILE A 192 44.359 11.251 35.608 1.00 12.00 C
+ATOM 1254 N LEU A 193 45.330 8.564 30.832 1.00 9.72 N
+ATOM 1255 CA LEU A 193 45.265 7.401 29.943 1.00 10.43 C
+ATOM 1256 C LEU A 193 46.473 7.283 29.037 1.00 12.52 C
+ATOM 1257 O LEU A 193 47.068 6.219 28.865 1.00 13.19 O
+ATOM 1258 CB LEU A 193 43.973 7.374 29.120 1.00 11.59 C
+ATOM 1259 CG LEU A 193 42.771 7.211 30.048 1.00 12.32 C
+ATOM 1260 CD1 LEU A 193 41.495 7.484 29.248 1.00 15.76 C
+ATOM 1261 CD2 LEU A 193 42.752 5.785 30.656 1.00 14.34 C
+ATOM 1262 N HIS A 194 46.871 8.401 28.469 1.00 14.81 N
+ATOM 1263 CA HIS A 194 48.048 8.364 27.627 1.00 14.15 C
+ATOM 1264 C HIS A 194 49.250 7.792 28.388 1.00 20.04 C
+ATOM 1265 O HIS A 194 50.026 7.013 27.874 1.00 18.64 O
+ATOM 1266 CB HIS A 194 48.301 9.807 27.173 1.00 13.66 C
+ATOM 1267 CG HIS A 194 49.389 9.932 26.178 1.00 21.75 C
+ATOM 1268 ND1 HIS A 194 50.647 10.331 26.559 1.00 29.92 N
+ATOM 1269 CD2 HIS A 194 49.400 9.717 24.851 1.00 24.68 C
+ATOM 1270 CE1 HIS A 194 51.387 10.368 25.464 1.00 31.72 C
+ATOM 1271 NE2 HIS A 194 50.661 10.004 24.421 1.00 30.49 N
+ATOM 1272 N ALA A 195 49.422 8.161 29.656 1.00 13.42 N
+ATOM 1273 CA ALA A 195 50.527 7.686 30.470 1.00 11.05 C
+ATOM 1274 C ALA A 195 50.141 6.436 31.248 1.00 18.96 C
+ATOM 1275 O ALA A 195 50.673 6.115 32.315 1.00 15.93 O
+ATOM 1276 CB ALA A 195 50.880 8.783 31.456 1.00 13.86 C
+ATOM 1277 N LEU A 196 49.167 5.708 30.744 1.00 10.85 N
+ATOM 1278 CA LEU A 196 48.786 4.532 31.477 1.00 13.97 C
+ATOM 1279 C LEU A 196 49.943 3.599 31.779 1.00 14.03 C
+ATOM 1280 O LEU A 196 50.037 3.015 32.853 1.00 18.55 O
+ATOM 1281 CB LEU A 196 47.656 3.797 30.755 1.00 13.58 C
+ATOM 1282 CG LEU A 196 47.107 2.613 31.518 1.00 22.57 C
+ATOM 1283 CD1 LEU A 196 46.512 3.076 32.840 1.00 20.44 C
+ATOM 1284 CD2 LEU A 196 46.025 1.951 30.670 1.00 21.67 C
+ATOM 1285 N PRO A 197 50.836 3.427 30.822 1.00 17.38 N
+ATOM 1286 CA PRO A 197 51.956 2.521 31.046 1.00 19.28 C
+ATOM 1287 C PRO A 197 52.825 2.905 32.235 1.00 19.10 C
+ATOM 1288 O PRO A 197 53.345 2.051 32.938 1.00 20.58 O
+ATOM 1289 CB PRO A 197 52.717 2.427 29.718 1.00 21.49 C
+ATOM 1290 CG PRO A 197 51.739 2.919 28.660 1.00 16.50 C
+ATOM 1291 CD PRO A 197 50.741 3.818 29.380 1.00 13.65 C
+ATOM 1292 N GLU A 198 52.966 4.190 32.512 1.00 18.81 N
+ATOM 1293 CA GLU A 198 53.736 4.605 33.677 1.00 19.33 C
+ATOM 1294 C GLU A 198 53.065 4.141 34.985 1.00 22.04 C
+ATOM 1295 O GLU A 198 53.700 3.857 35.975 1.00 24.24 O
+ATOM 1296 CB GLU A 198 53.773 6.137 33.772 1.00 23.20 C
+ATOM 1297 CG GLU A 198 54.601 6.930 32.739 1.00 31.57 C
+ATOM 1298 CD GLU A 198 54.767 8.369 33.193 1.00 39.83 C
+ATOM 1299 OE1 GLU A 198 55.061 8.684 34.347 1.00 30.80 O
+ATOM 1300 OE2 GLU A 198 54.423 9.237 32.274 1.00 35.52 O
+ATOM 1301 N LEU A 199 51.739 4.118 35.046 1.00 17.83 N
+ATOM 1302 CA LEU A 199 51.072 3.694 36.262 1.00 19.49 C
+ATOM 1303 C LEU A 199 51.170 2.191 36.355 1.00 21.72 C
+ATOM 1304 O LEU A 199 51.375 1.601 37.419 1.00 20.42 O
+ATOM 1305 CB LEU A 199 49.590 4.092 36.198 1.00 26.08 C
+ATOM 1306 CG LEU A 199 49.122 5.156 37.183 1.00 36.53 C
+ATOM 1307 CD1 LEU A 199 47.599 5.050 37.275 1.00 34.89 C
+ATOM 1308 CD2 LEU A 199 49.772 4.964 38.555 1.00 29.00 C
+ATOM 1309 N VAL A 200 51.003 1.555 35.190 1.00 19.31 N
+ATOM 1310 CA VAL A 200 51.100 0.107 35.127 1.00 17.98 C
+ATOM 1311 C VAL A 200 52.484 -0.340 35.654 1.00 22.13 C
+ATOM 1312 O VAL A 200 52.625 -1.336 36.353 1.00 16.85 O
+ATOM 1313 CB VAL A 200 50.769 -0.394 33.708 1.00 18.94 C
+ATOM 1314 CG1 VAL A 200 51.088 -1.877 33.573 1.00 15.36 C
+ATOM 1315 CG2 VAL A 200 49.295 -0.157 33.368 1.00 14.48 C
+ATOM 1316 N ALA A 201 53.506 0.448 35.336 1.00 19.69 N
+ATOM 1317 CA ALA A 201 54.887 0.211 35.751 1.00 23.37 C
+ATOM 1318 C ALA A 201 55.102 0.212 37.270 1.00 33.29 C
+ATOM 1319 O ALA A 201 56.170 -0.162 37.755 1.00 34.72 O
+ATOM 1320 CB ALA A 201 55.881 1.154 35.059 1.00 18.43 C
+ATOM 1321 N THR A 202 54.115 0.652 38.041 1.00 28.54 N
+ATOM 1322 CA THR A 202 54.285 0.628 39.481 1.00 24.02 C
+ATOM 1323 C THR A 202 54.294 -0.824 39.898 1.00 21.89 C
+ATOM 1324 O THR A 202 54.637 -1.158 41.027 1.00 29.97 O
+ATOM 1325 CB THR A 202 53.106 1.268 40.240 1.00 28.34 C
+ATOM 1326 OG1 THR A 202 51.893 0.604 39.903 1.00 22.21 O
+ATOM 1327 CG2 THR A 202 53.005 2.746 39.911 1.00 21.39 C
+ATOM 1328 N GLY A 203 53.870 -1.689 38.994 1.00 19.45 N
+ATOM 1329 CA GLY A 203 53.817 -3.098 39.334 1.00 17.66 C
+ATOM 1330 C GLY A 203 52.581 -3.453 40.146 1.00 21.25 C
+ATOM 1331 O GLY A 203 52.396 -4.593 40.538 1.00 26.31 O
+ATOM 1332 N ILE A 204 51.717 -2.490 40.422 1.00 18.11 N
+ATOM 1333 CA ILE A 204 50.486 -2.779 41.144 1.00 17.49 C
+ATOM 1334 C ILE A 204 49.391 -2.762 40.104 1.00 19.13 C
+ATOM 1335 O ILE A 204 49.370 -1.876 39.245 1.00 16.49 O
+ATOM 1336 CB ILE A 204 50.200 -1.780 42.256 1.00 19.50 C
+ATOM 1337 CG1 ILE A 204 51.304 -1.877 43.305 1.00 23.29 C
+ATOM 1338 CG2 ILE A 204 48.873 -2.040 42.954 1.00 12.84 C
+ATOM 1339 CD1 ILE A 204 51.752 -0.505 43.760 1.00 27.38 C
+ATOM 1340 N PRO A 205 48.514 -3.738 40.133 1.00 16.08 N
+ATOM 1341 CA PRO A 205 47.447 -3.789 39.123 1.00 13.94 C
+ATOM 1342 C PRO A 205 46.665 -2.497 38.993 1.00 14.15 C
+ATOM 1343 O PRO A 205 46.309 -1.886 40.001 1.00 14.42 O
+ATOM 1344 CB PRO A 205 46.538 -4.938 39.555 1.00 17.00 C
+ATOM 1345 CG PRO A 205 47.354 -5.804 40.514 1.00 13.80 C
+ATOM 1346 CD PRO A 205 48.491 -4.933 41.021 1.00 16.07 C
+ATOM 1347 N VAL A 206 46.377 -2.091 37.753 1.00 15.04 N
+ATOM 1348 CA VAL A 206 45.602 -0.874 37.500 1.00 14.99 C
+ATOM 1349 C VAL A 206 44.220 -1.151 36.899 1.00 13.72 C
+ATOM 1350 O VAL A 206 44.074 -1.919 35.935 1.00 12.33 O
+ATOM 1351 CB VAL A 206 46.332 0.137 36.615 1.00 18.09 C
+ATOM 1352 CG1 VAL A 206 45.460 1.381 36.380 1.00 15.89 C
+ATOM 1353 CG2 VAL A 206 47.682 0.533 37.219 1.00 17.73 C
+ATOM 1354 N LEU A 207 43.216 -0.506 37.500 1.00 9.10 N
+ATOM 1355 CA LEU A 207 41.840 -0.617 37.052 1.00 10.64 C
+ATOM 1356 C LEU A 207 41.472 0.725 36.442 1.00 15.40 C
+ATOM 1357 O LEU A 207 41.795 1.754 37.029 1.00 13.17 O
+ATOM 1358 CB LEU A 207 40.881 -0.932 38.226 1.00 11.51 C
+ATOM 1359 CG LEU A 207 39.387 -0.766 37.910 1.00 12.28 C
+ATOM 1360 CD1 LEU A 207 38.892 -1.868 36.961 1.00 12.30 C
+ATOM 1361 CD2 LEU A 207 38.577 -0.881 39.200 1.00 15.86 C
+ATOM 1362 N VAL A 208 40.830 0.694 35.283 1.00 14.07 N
+ATOM 1363 CA VAL A 208 40.408 1.906 34.577 1.00 14.83 C
+ATOM 1364 C VAL A 208 38.901 2.047 34.631 1.00 10.86 C
+ATOM 1365 O VAL A 208 38.181 1.156 34.222 1.00 12.58 O
+ATOM 1366 CB VAL A 208 40.860 1.861 33.091 1.00 16.15 C
+ATOM 1367 CG1 VAL A 208 40.325 3.051 32.275 1.00 13.44 C
+ATOM 1368 CG2 VAL A 208 42.387 1.853 33.048 1.00 16.50 C
+ATOM 1369 N GLY A 209 38.401 3.190 35.098 1.00 10.62 N
+ATOM 1370 CA GLY A 209 36.970 3.376 35.148 1.00 10.51 C
+ATOM 1371 C GLY A 209 36.557 4.600 34.355 1.00 15.48 C
+ATOM 1372 O GLY A 209 36.270 5.670 34.911 1.00 11.65 O
+ATOM 1373 N ALA A 210 36.509 4.445 33.039 1.00 11.39 N
+ATOM 1374 CA ALA A 210 36.107 5.595 32.222 1.00 8.94 C
+ATOM 1375 C ALA A 210 34.645 5.559 31.776 1.00 12.94 C
+ATOM 1376 O ALA A 210 34.083 6.564 31.309 1.00 11.75 O
+ATOM 1377 CB ALA A 210 36.928 5.555 30.922 1.00 12.73 C
+ATOM 1378 N SER A 211 34.069 4.349 31.845 1.00 13.73 N
+ATOM 1379 CA SER A 211 32.727 4.057 31.376 1.00 10.26 C
+ATOM 1380 C SER A 211 31.674 5.139 31.471 1.00 13.68 C
+ATOM 1381 O SER A 211 31.255 5.483 32.551 1.00 12.09 O
+ATOM 1382 CB SER A 211 32.204 2.686 31.796 1.00 9.53 C
+ATOM 1383 OG SER A 211 30.891 2.417 31.280 1.00 9.50 O
+ATOM 1384 N ARG A 212 31.225 5.627 30.314 1.00 11.83 N
+ATOM 1385 CA ARG A 212 30.172 6.617 30.206 1.00 8.39 C
+ATOM 1386 C ARG A 212 30.384 7.929 30.923 1.00 8.84 C
+ATOM 1387 O ARG A 212 29.431 8.685 31.064 1.00 11.17 O
+ATOM 1388 CB ARG A 212 28.830 6.035 30.583 1.00 10.42 C
+ATOM 1389 CG ARG A 212 28.529 4.732 29.834 1.00 11.73 C
+ATOM 1390 CD ARG A 212 27.158 4.187 30.224 1.00 9.00 C
+ATOM 1391 NE ARG A 212 26.717 3.092 29.381 1.00 11.58 N
+ATOM 1392 CZ ARG A 212 25.493 2.625 29.512 1.00 26.26 C
+ATOM 1393 NH1 ARG A 212 24.682 3.163 30.422 1.00 20.11 N
+ATOM 1394 NH2 ARG A 212 25.066 1.626 28.731 1.00 17.16 N
+ATOM 1395 N LYS A 213 31.600 8.186 31.371 1.00 10.11 N
+ATOM 1396 CA LYS A 213 31.829 9.411 32.113 1.00 11.61 C
+ATOM 1397 C LYS A 213 31.667 10.661 31.266 1.00 18.17 C
+ATOM 1398 O LYS A 213 31.683 10.611 30.036 1.00 14.32 O
+ATOM 1399 CB LYS A 213 33.131 9.360 32.901 1.00 14.55 C
+ATOM 1400 CG LYS A 213 33.079 8.487 34.159 1.00 11.42 C
+ATOM 1401 CD LYS A 213 34.367 8.575 35.010 1.00 16.49 C
+ATOM 1402 CE LYS A 213 34.294 7.928 36.405 1.00 18.28 C
+ATOM 1403 NZ LYS A 213 34.285 6.446 36.361 1.00 15.25 N
+ATOM 1404 N ARG A 214 31.501 11.794 31.947 1.00 12.85 N
+ATOM 1405 CA ARG A 214 31.299 13.095 31.324 1.00 11.82 C
+ATOM 1406 C ARG A 214 32.273 13.383 30.198 1.00 15.38 C
+ATOM 1407 O ARG A 214 31.887 13.891 29.142 1.00 13.76 O
+ATOM 1408 CB ARG A 214 31.361 14.240 32.357 1.00 16.38 C
+ATOM 1409 CG ARG A 214 30.540 15.464 31.988 1.00 51.67 C
+ATOM 1410 CD ARG A 214 31.337 16.767 31.911 1.00 97.79 C
+ATOM 1411 NE ARG A 214 30.572 17.983 32.253 1.00100.00 N
+ATOM 1412 CZ ARG A 214 29.237 18.180 32.293 1.00100.00 C
+ATOM 1413 NH1 ARG A 214 28.321 17.247 32.036 1.00 44.04 N
+ATOM 1414 NH2 ARG A 214 28.795 19.393 32.628 1.00 33.23 N
+ATOM 1415 N PHE A 215 33.555 13.115 30.445 1.00 10.56 N
+ATOM 1416 CA PHE A 215 34.558 13.398 29.434 1.00 13.77 C
+ATOM 1417 C PHE A 215 34.213 12.793 28.073 1.00 14.03 C
+ATOM 1418 O PHE A 215 34.573 13.332 27.022 1.00 15.55 O
+ATOM 1419 CB PHE A 215 36.033 13.178 29.900 1.00 13.12 C
+ATOM 1420 CG PHE A 215 36.588 11.754 29.869 1.00 10.23 C
+ATOM 1421 CD1 PHE A 215 37.754 11.450 29.160 1.00 9.65 C
+ATOM 1422 CD2 PHE A 215 35.971 10.702 30.546 1.00 9.61 C
+ATOM 1423 CE1 PHE A 215 38.291 10.163 29.117 1.00 9.33 C
+ATOM 1424 CE2 PHE A 215 36.497 9.409 30.531 1.00 10.82 C
+ATOM 1425 CZ PHE A 215 37.661 9.131 29.810 1.00 12.13 C
+ATOM 1426 N LEU A 216 33.541 11.646 28.094 1.00 11.14 N
+ATOM 1427 CA LEU A 216 33.183 10.981 26.864 1.00 9.36 C
+ATOM 1428 C LEU A 216 31.983 11.672 26.242 1.00 15.36 C
+ATOM 1429 O LEU A 216 31.836 11.758 25.008 1.00 13.93 O
+ATOM 1430 CB LEU A 216 32.952 9.472 27.068 1.00 9.62 C
+ATOM 1431 CG LEU A 216 34.189 8.702 27.567 1.00 12.24 C
+ATOM 1432 CD1 LEU A 216 33.800 7.243 27.859 1.00 11.13 C
+ATOM 1433 CD2 LEU A 216 35.294 8.722 26.501 1.00 14.04 C
+ATOM 1434 N GLY A 217 31.100 12.180 27.106 1.00 14.19 N
+ATOM 1435 CA GLY A 217 29.931 12.899 26.600 1.00 12.84 C
+ATOM 1436 C GLY A 217 30.378 14.122 25.806 1.00 15.11 C
+ATOM 1437 O GLY A 217 29.798 14.488 24.774 1.00 14.00 O
+ATOM 1438 N ALA A 218 31.444 14.741 26.319 1.00 13.40 N
+ATOM 1439 CA ALA A 218 32.069 15.939 25.759 1.00 13.11 C
+ATOM 1440 C ALA A 218 32.870 15.628 24.481 1.00 13.85 C
+ATOM 1441 O ALA A 218 32.782 16.303 23.444 1.00 15.85 O
+ATOM 1442 CB ALA A 218 32.946 16.545 26.850 1.00 11.82 C
+ATOM 1443 N LEU A 219 33.658 14.574 24.558 1.00 9.82 N
+ATOM 1444 CA LEU A 219 34.431 14.147 23.422 1.00 11.51 C
+ATOM 1445 C LEU A 219 33.509 13.938 22.231 1.00 14.05 C
+ATOM 1446 O LEU A 219 33.813 14.309 21.099 1.00 13.31 O
+ATOM 1447 CB LEU A 219 35.144 12.798 23.724 1.00 7.23 C
+ATOM 1448 CG LEU A 219 35.910 12.243 22.513 1.00 12.93 C
+ATOM 1449 CD1 LEU A 219 37.170 13.065 22.254 1.00 18.17 C
+ATOM 1450 CD2 LEU A 219 36.324 10.802 22.739 1.00 12.13 C
+ATOM 1451 N LEU A 220 32.380 13.292 22.497 1.00 9.38 N
+ATOM 1452 CA LEU A 220 31.424 12.945 21.449 1.00 15.20 C
+ATOM 1453 C LEU A 220 30.244 13.889 21.276 1.00 13.02 C
+ATOM 1454 O LEU A 220 29.176 13.502 20.761 1.00 14.08 O
+ATOM 1455 CB LEU A 220 30.924 11.496 21.683 1.00 13.92 C
+ATOM 1456 CG LEU A 220 32.055 10.465 21.851 1.00 18.12 C
+ATOM 1457 CD1 LEU A 220 31.460 9.098 22.211 1.00 19.70 C
+ATOM 1458 CD2 LEU A 220 32.916 10.371 20.596 1.00 8.97 C
+ATOM 1459 N ALA A 221 30.405 15.123 21.721 1.00 9.91 N
+ATOM 1460 CA ALA A 221 29.294 16.045 21.614 1.00 10.69 C
+ATOM 1461 C ALA A 221 28.831 16.182 20.175 1.00 19.29 C
+ATOM 1462 O ALA A 221 29.659 16.072 19.267 1.00 16.16 O
+ATOM 1463 CB ALA A 221 29.652 17.399 22.170 1.00 13.78 C
+ATOM 1464 N GLY A 222 27.521 16.402 20.006 1.00 15.57 N
+ATOM 1465 CA GLY A 222 26.859 16.571 18.714 1.00 19.25 C
+ATOM 1466 C GLY A 222 27.291 17.842 17.984 1.00 23.55 C
+ATOM 1467 O GLY A 222 28.049 18.686 18.476 1.00 20.59 O
+ATOM 1468 N PRO A 223 26.838 17.977 16.749 1.00 29.84 N
+ATOM 1469 CA PRO A 223 27.206 19.141 15.961 1.00 33.60 C
+ATOM 1470 C PRO A 223 26.940 20.405 16.749 1.00 51.74 C
+ATOM 1471 O PRO A 223 27.800 21.287 16.802 1.00 57.83 O
+ATOM 1472 CB PRO A 223 26.333 19.119 14.713 1.00 31.60 C
+ATOM 1473 CG PRO A 223 25.370 17.951 14.871 1.00 33.62 C
+ATOM 1474 CD PRO A 223 25.746 17.197 16.136 1.00 26.60 C
+ATOM 1475 N ASP A 224 25.743 20.444 17.357 1.00 48.62 N
+ATOM 1476 CA ASP A 224 25.258 21.550 18.174 1.00 50.13 C
+ATOM 1477 C ASP A 224 26.230 21.892 19.287 1.00 59.94 C
+ATOM 1478 O ASP A 224 26.623 23.041 19.491 1.00 71.01 O
+ATOM 1479 CB ASP A 224 23.930 21.153 18.824 1.00 47.83 C
+ATOM 1480 CG ASP A 224 23.982 19.708 19.244 1.00 63.22 C
+ATOM 1481 OD1 ASP A 224 25.002 19.022 19.254 1.00 37.97 O
+ATOM 1482 OD2 ASP A 224 22.808 19.261 19.598 1.00 96.65 O
+ATOM 1483 N GLY A 225 26.614 20.862 20.015 1.00 42.43 N
+ATOM 1484 CA GLY A 225 27.523 21.037 21.126 1.00 39.77 C
+ATOM 1485 C GLY A 225 26.923 20.321 22.323 1.00 29.16 C
+ATOM 1486 O GLY A 225 27.423 20.422 23.443 1.00 30.90 O
+ATOM 1487 N VAL A 226 25.828 19.613 22.040 1.00 17.70 N
+ATOM 1488 CA VAL A 226 25.128 18.838 23.041 1.00 16.23 C
+ATOM 1489 C VAL A 226 25.839 17.503 23.225 1.00 22.61 C
+ATOM 1490 O VAL A 226 26.133 16.779 22.275 1.00 16.77 O
+ATOM 1491 CB VAL A 226 23.655 18.669 22.715 1.00 22.75 C
+ATOM 1492 CG1 VAL A 226 22.984 17.683 23.657 1.00 18.90 C
+ATOM 1493 CG2 VAL A 226 22.960 20.020 22.793 1.00 27.60 C
+ATOM 1494 N MET A 227 26.128 17.204 24.484 1.00 18.17 N
+ATOM 1495 CA MET A 227 26.849 16.001 24.853 1.00 12.84 C
+ATOM 1496 C MET A 227 26.171 14.744 24.368 1.00 14.85 C
+ATOM 1497 O MET A 227 24.943 14.643 24.300 1.00 12.21 O
+ATOM 1498 CB MET A 227 27.085 15.894 26.387 1.00 11.93 C
+ATOM 1499 CG MET A 227 28.108 16.875 26.982 1.00 22.51 C
+ATOM 1500 SD MET A 227 28.934 16.291 28.526 1.00 30.32 S
+ATOM 1501 CE MET A 227 27.532 16.036 29.635 1.00 31.66 C
+ATOM 1502 N ARG A 228 27.001 13.760 24.053 1.00 11.54 N
+ATOM 1503 CA ARG A 228 26.470 12.474 23.663 1.00 11.19 C
+ATOM 1504 C ARG A 228 25.759 11.912 24.892 1.00 12.38 C
+ATOM 1505 O ARG A 228 26.312 11.984 25.972 1.00 12.75 O
+ATOM 1506 CB ARG A 228 27.652 11.541 23.306 1.00 8.66 C
+ATOM 1507 CG ARG A 228 27.207 10.156 22.853 1.00 13.87 C
+ATOM 1508 CD ARG A 228 26.433 10.195 21.516 1.00 15.77 C
+ATOM 1509 NE ARG A 228 27.288 10.609 20.394 1.00 11.34 N
+ATOM 1510 CZ ARG A 228 28.144 9.780 19.799 1.00 18.16 C
+ATOM 1511 NH1 ARG A 228 28.259 8.496 20.162 1.00 9.91 N
+ATOM 1512 NH2 ARG A 228 28.924 10.248 18.815 1.00 13.64 N
+ATOM 1513 N PRO A 229 24.577 11.307 24.771 1.00 16.03 N
+ATOM 1514 CA PRO A 229 23.897 10.729 25.918 1.00 13.68 C
+ATOM 1515 C PRO A 229 24.681 9.597 26.484 1.00 16.32 C
+ATOM 1516 O PRO A 229 25.484 9.008 25.768 1.00 13.87 O
+ATOM 1517 CB PRO A 229 22.565 10.197 25.409 1.00 17.06 C
+ATOM 1518 CG PRO A 229 22.271 11.064 24.194 1.00 23.03 C
+ATOM 1519 CD PRO A 229 23.611 11.539 23.662 1.00 17.16 C
+ATOM 1520 N THR A 230 24.434 9.308 27.766 1.00 12.12 N
+ATOM 1521 CA THR A 230 25.158 8.261 28.452 1.00 9.96 C
+ATOM 1522 C THR A 230 25.205 6.956 27.694 1.00 14.27 C
+ATOM 1523 O THR A 230 26.255 6.338 27.529 1.00 16.48 O
+ATOM 1524 CB THR A 230 24.621 8.036 29.890 1.00 26.87 C
+ATOM 1525 OG1 THR A 230 23.235 7.779 29.875 1.00 25.77 O
+ATOM 1526 CG2 THR A 230 24.876 9.276 30.737 1.00 21.35 C
+ATOM 1527 N ASP A 231 24.043 6.538 27.253 1.00 18.17 N
+ATOM 1528 CA ASP A 231 23.898 5.300 26.516 1.00 21.69 C
+ATOM 1529 C ASP A 231 24.698 5.303 25.220 1.00 20.46 C
+ATOM 1530 O ASP A 231 24.956 4.249 24.675 1.00 24.43 O
+ATOM 1531 CB ASP A 231 22.409 5.106 26.179 1.00 31.75 C
+ATOM 1532 CG ASP A 231 21.821 3.947 26.902 1.00 72.68 C
+ATOM 1533 OD1 ASP A 231 21.962 2.799 26.522 1.00 88.19 O
+ATOM 1534 OD2 ASP A 231 21.144 4.308 27.964 1.00 96.03 O
+ATOM 1535 N GLY A 232 25.041 6.481 24.700 1.00 11.24 N
+ATOM 1536 CA GLY A 232 25.784 6.580 23.468 1.00 12.29 C
+ATOM 1537 C GLY A 232 27.279 6.628 23.686 1.00 14.90 C
+ATOM 1538 O GLY A 232 28.028 6.832 22.742 1.00 11.16 O
+ATOM 1539 N ARG A 233 27.724 6.429 24.933 1.00 11.60 N
+ATOM 1540 CA ARG A 233 29.152 6.491 25.202 1.00 9.08 C
+ATOM 1541 C ARG A 233 29.781 5.121 25.302 1.00 10.02 C
+ATOM 1542 O ARG A 233 30.943 5.017 25.677 1.00 14.63 O
+ATOM 1543 CB ARG A 233 29.447 7.261 26.504 1.00 11.22 C
+ATOM 1544 CG ARG A 233 28.820 8.640 26.490 1.00 11.02 C
+ATOM 1545 CD ARG A 233 28.811 9.359 27.839 1.00 10.21 C
+ATOM 1546 NE ARG A 233 27.931 10.552 27.835 1.00 12.34 N
+ATOM 1547 CZ ARG A 233 27.756 11.343 28.902 1.00 15.24 C
+ATOM 1548 NH1 ARG A 233 28.393 11.120 30.051 1.00 12.07 N
+ATOM 1549 NH2 ARG A 233 26.954 12.394 28.818 1.00 11.33 N
+ATOM 1550 N ASP A 234 29.043 4.067 24.986 1.00 12.40 N
+ATOM 1551 CA ASP A 234 29.634 2.741 25.106 1.00 11.09 C
+ATOM 1552 C ASP A 234 30.704 2.387 24.096 1.00 14.28 C
+ATOM 1553 O ASP A 234 31.662 1.721 24.448 1.00 10.98 O
+ATOM 1554 CB ASP A 234 28.593 1.627 25.220 1.00 11.51 C
+ATOM 1555 CG ASP A 234 27.801 1.779 26.495 1.00 13.72 C
+ATOM 1556 OD1 ASP A 234 28.287 2.141 27.555 1.00 14.06 O
+ATOM 1557 OD2 ASP A 234 26.536 1.503 26.320 1.00 12.78 O
+ATOM 1558 N THR A 235 30.554 2.810 22.845 1.00 11.03 N
+ATOM 1559 CA THR A 235 31.600 2.474 21.885 1.00 10.40 C
+ATOM 1560 C THR A 235 32.921 3.072 22.356 1.00 12.00 C
+ATOM 1561 O THR A 235 33.953 2.389 22.393 1.00 12.23 O
+ATOM 1562 CB THR A 235 31.269 2.903 20.425 1.00 8.96 C
+ATOM 1563 OG1 THR A 235 30.000 2.404 20.101 1.00 10.45 O
+ATOM 1564 CG2 THR A 235 32.287 2.288 19.482 1.00 12.04 C
+ATOM 1565 N ALA A 236 32.882 4.352 22.711 1.00 10.95 N
+ATOM 1566 CA ALA A 236 34.083 5.029 23.213 1.00 10.76 C
+ATOM 1567 C ALA A 236 34.654 4.301 24.425 1.00 10.66 C
+ATOM 1568 O ALA A 236 35.877 4.089 24.557 1.00 10.36 O
+ATOM 1569 CB ALA A 236 33.794 6.493 23.528 1.00 10.79 C
+ATOM 1570 N THR A 237 33.727 3.892 25.310 1.00 11.13 N
+ATOM 1571 CA THR A 237 34.132 3.152 26.495 1.00 9.15 C
+ATOM 1572 C THR A 237 34.834 1.851 26.100 1.00 13.06 C
+ATOM 1573 O THR A 237 35.866 1.490 26.649 1.00 11.38 O
+ATOM 1574 CB THR A 237 32.938 2.823 27.395 1.00 10.93 C
+ATOM 1575 OG1 THR A 237 32.343 4.025 27.856 1.00 12.63 O
+ATOM 1576 CG2 THR A 237 33.463 2.001 28.569 1.00 11.02 C
+ATOM 1577 N ALA A 238 34.242 1.133 25.140 1.00 7.98 N
+ATOM 1578 CA ALA A 238 34.791 -0.124 24.655 1.00 9.95 C
+ATOM 1579 C ALA A 238 36.191 0.058 24.047 1.00 14.42 C
+ATOM 1580 O ALA A 238 37.091 -0.759 24.240 1.00 11.05 O
+ATOM 1581 CB ALA A 238 33.814 -0.764 23.660 1.00 8.86 C
+ATOM 1582 N VAL A 239 36.374 1.164 23.327 1.00 9.51 N
+ATOM 1583 CA VAL A 239 37.646 1.478 22.720 1.00 11.47 C
+ATOM 1584 C VAL A 239 38.661 1.781 23.798 1.00 11.77 C
+ATOM 1585 O VAL A 239 39.806 1.406 23.701 1.00 8.21 O
+ATOM 1586 CB VAL A 239 37.507 2.618 21.713 1.00 8.87 C
+ATOM 1587 CG1 VAL A 239 38.897 2.990 21.216 1.00 6.76 C
+ATOM 1588 CG2 VAL A 239 36.693 2.073 20.537 1.00 6.93 C
+ATOM 1589 N ILE A 240 38.225 2.455 24.843 1.00 11.00 N
+ATOM 1590 CA ILE A 240 39.147 2.717 25.946 1.00 12.11 C
+ATOM 1591 C ILE A 240 39.542 1.373 26.567 1.00 10.12 C
+ATOM 1592 O ILE A 240 40.679 1.159 26.966 1.00 10.00 O
+ATOM 1593 CB ILE A 240 38.558 3.685 26.968 1.00 11.09 C
+ATOM 1594 CG1 ILE A 240 38.737 5.111 26.440 1.00 7.47 C
+ATOM 1595 CG2 ILE A 240 39.279 3.498 28.320 1.00 11.15 C
+ATOM 1596 CD1 ILE A 240 37.823 6.135 27.108 1.00 12.22 C
+ATOM 1597 N SER A 241 38.614 0.407 26.597 1.00 10.21 N
+ATOM 1598 CA SER A 241 38.946 -0.927 27.116 1.00 10.50 C
+ATOM 1599 C SER A 241 40.046 -1.619 26.284 1.00 16.40 C
+ATOM 1600 O SER A 241 41.012 -2.206 26.800 1.00 10.22 O
+ATOM 1601 CB SER A 241 37.730 -1.840 27.222 1.00 11.77 C
+ATOM 1602 OG SER A 241 36.842 -1.336 28.203 1.00 13.75 O
+ATOM 1603 N ALA A 242 39.909 -1.548 24.954 1.00 13.32 N
+ATOM 1604 CA ALA A 242 40.936 -2.149 24.090 1.00 8.97 C
+ATOM 1605 C ALA A 242 42.308 -1.499 24.300 1.00 9.69 C
+ATOM 1606 O ALA A 242 43.337 -2.163 24.348 1.00 11.99 O
+ATOM 1607 CB ALA A 242 40.551 -1.960 22.616 1.00 9.24 C
+ATOM 1608 N LEU A 243 42.335 -0.157 24.361 1.00 9.81 N
+ATOM 1609 CA LEU A 243 43.597 0.546 24.525 1.00 9.53 C
+ATOM 1610 C LEU A 243 44.166 0.217 25.892 1.00 14.60 C
+ATOM 1611 O LEU A 243 45.363 0.088 26.072 1.00 14.41 O
+ATOM 1612 CB LEU A 243 43.439 2.071 24.395 1.00 10.80 C
+ATOM 1613 CG LEU A 243 43.916 2.636 23.049 1.00 23.54 C
+ATOM 1614 CD1 LEU A 243 43.787 1.580 21.984 1.00 32.91 C
+ATOM 1615 CD2 LEU A 243 43.131 3.869 22.627 1.00 20.23 C
+ATOM 1616 N ALA A 244 43.285 0.084 26.871 1.00 11.51 N
+ATOM 1617 CA ALA A 244 43.749 -0.236 28.210 1.00 15.15 C
+ATOM 1618 C ALA A 244 44.394 -1.612 28.216 1.00 15.37 C
+ATOM 1619 O ALA A 244 45.440 -1.845 28.831 1.00 13.28 O
+ATOM 1620 CB ALA A 244 42.595 -0.202 29.198 1.00 14.30 C
+ATOM 1621 N ALA A 245 43.746 -2.520 27.489 1.00 12.89 N
+ATOM 1622 CA ALA A 245 44.253 -3.873 27.374 1.00 12.41 C
+ATOM 1623 C ALA A 245 45.644 -3.869 26.736 1.00 23.09 C
+ATOM 1624 O ALA A 245 46.582 -4.531 27.190 1.00 16.74 O
+ATOM 1625 CB ALA A 245 43.274 -4.739 26.601 1.00 10.52 C
+ATOM 1626 N LEU A 246 45.770 -3.089 25.672 1.00 16.01 N
+ATOM 1627 CA LEU A 246 47.024 -2.945 24.957 1.00 15.21 C
+ATOM 1628 C LEU A 246 48.150 -2.364 25.820 1.00 23.57 C
+ATOM 1629 O LEU A 246 49.335 -2.575 25.580 1.00 20.66 O
+ATOM 1630 CB LEU A 246 46.829 -1.932 23.815 1.00 11.66 C
+ATOM 1631 CG LEU A 246 46.197 -2.536 22.587 1.00 21.46 C
+ATOM 1632 CD1 LEU A 246 46.070 -1.427 21.534 1.00 19.90 C
+ATOM 1633 CD2 LEU A 246 47.084 -3.688 22.090 1.00 26.24 C
+ATOM 1634 N HIS A 247 47.782 -1.566 26.802 1.00 14.27 N
+ATOM 1635 CA HIS A 247 48.772 -0.942 27.626 1.00 9.84 C
+ATOM 1636 C HIS A 247 48.942 -1.556 29.008 1.00 19.35 C
+ATOM 1637 O HIS A 247 49.526 -0.930 29.900 1.00 17.98 O
+ATOM 1638 CB HIS A 247 48.523 0.566 27.680 1.00 13.40 C
+ATOM 1639 CG HIS A 247 48.761 1.107 26.328 1.00 20.89 C
+ATOM 1640 ND1 HIS A 247 50.041 1.109 25.787 1.00 21.31 N
+ATOM 1641 CD2 HIS A 247 47.881 1.616 25.417 1.00 18.23 C
+ATOM 1642 CE1 HIS A 247 49.912 1.643 24.572 1.00 19.64 C
+ATOM 1643 NE2 HIS A 247 48.633 1.939 24.319 1.00 18.56 N
+ATOM 1644 N GLY A 248 48.481 -2.786 29.205 1.00 18.26 N
+ATOM 1645 CA GLY A 248 48.758 -3.420 30.488 1.00 20.23 C
+ATOM 1646 C GLY A 248 47.815 -3.204 31.658 1.00 21.46 C
+ATOM 1647 O GLY A 248 48.119 -3.633 32.758 1.00 16.63 O
+ATOM 1648 N ALA A 249 46.683 -2.583 31.445 1.00 13.45 N
+ATOM 1649 CA ALA A 249 45.749 -2.436 32.540 1.00 16.42 C
+ATOM 1650 C ALA A 249 45.326 -3.812 33.069 1.00 16.52 C
+ATOM 1651 O ALA A 249 45.227 -4.787 32.308 1.00 14.77 O
+ATOM 1652 CB ALA A 249 44.499 -1.658 32.126 1.00 15.20 C
+ATOM 1653 N TRP A 250 45.057 -3.868 34.382 1.00 11.08 N
+ATOM 1654 CA TRP A 250 44.602 -5.075 35.044 1.00 11.69 C
+ATOM 1655 C TRP A 250 43.135 -5.336 34.747 1.00 14.39 C
+ATOM 1656 O TRP A 250 42.707 -6.481 34.518 1.00 15.67 O
+ATOM 1657 CB TRP A 250 44.817 -4.969 36.571 1.00 15.54 C
+ATOM 1658 CG TRP A 250 44.056 -6.011 37.333 1.00 16.15 C
+ATOM 1659 CD1 TRP A 250 44.456 -7.297 37.560 1.00 17.39 C
+ATOM 1660 CD2 TRP A 250 42.781 -5.858 37.976 1.00 16.51 C
+ATOM 1661 NE1 TRP A 250 43.501 -7.967 38.291 1.00 18.51 N
+ATOM 1662 CE2 TRP A 250 42.463 -7.108 38.572 1.00 20.43 C
+ATOM 1663 CE3 TRP A 250 41.875 -4.798 38.112 1.00 17.91 C
+ATOM 1664 CZ2 TRP A 250 41.273 -7.296 39.293 1.00 16.96 C
+ATOM 1665 CZ3 TRP A 250 40.706 -4.994 38.829 1.00 17.95 C
+ATOM 1666 CH2 TRP A 250 40.403 -6.233 39.417 1.00 16.70 C
+ATOM 1667 N GLY A 251 42.350 -4.262 34.761 1.00 12.18 N
+ATOM 1668 CA GLY A 251 40.929 -4.411 34.495 1.00 12.11 C
+ATOM 1669 C GLY A 251 40.216 -3.127 34.072 1.00 12.60 C
+ATOM 1670 O GLY A 251 40.779 -2.041 34.067 1.00 10.73 O
+ATOM 1671 N VAL A 252 38.936 -3.259 33.719 1.00 9.80 N
+ATOM 1672 CA VAL A 252 38.139 -2.118 33.322 1.00 9.66 C
+ATOM 1673 C VAL A 252 36.789 -2.228 34.025 1.00 9.49 C
+ATOM 1674 O VAL A 252 36.243 -3.322 34.166 1.00 11.38 O
+ATOM 1675 CB VAL A 252 37.949 -2.010 31.788 1.00 12.29 C
+ATOM 1676 CG1 VAL A 252 39.269 -1.737 31.026 1.00 8.09 C
+ATOM 1677 CG2 VAL A 252 37.252 -3.255 31.227 1.00 9.67 C
+ATOM 1678 N ARG A 253 36.260 -1.087 34.454 1.00 10.82 N
+ATOM 1679 CA ARG A 253 34.997 -1.030 35.155 1.00 10.90 C
+ATOM 1680 C ARG A 253 34.029 -0.416 34.182 1.00 11.83 C
+ATOM 1681 O ARG A 253 34.202 0.738 33.808 1.00 10.52 O
+ATOM 1682 CB ARG A 253 35.145 -0.196 36.427 1.00 11.34 C
+ATOM 1683 CG ARG A 253 33.846 -0.018 37.197 1.00 13.20 C
+ATOM 1684 CD ARG A 253 34.039 0.779 38.512 1.00 10.75 C
+ATOM 1685 NE ARG A 253 32.800 0.858 39.319 1.00 11.23 N
+ATOM 1686 CZ ARG A 253 31.856 1.798 39.139 1.00 18.13 C
+ATOM 1687 NH1 ARG A 253 31.949 2.776 38.226 1.00 14.28 N
+ATOM 1688 NH2 ARG A 253 30.780 1.776 39.912 1.00 12.41 N
+ATOM 1689 N VAL A 254 33.013 -1.177 33.776 1.00 9.36 N
+ATOM 1690 CA VAL A 254 32.099 -0.673 32.758 1.00 10.08 C
+ATOM 1691 C VAL A 254 30.625 -0.964 32.979 1.00 12.20 C
+ATOM 1692 O VAL A 254 30.258 -1.923 33.677 1.00 13.68 O
+ATOM 1693 CB VAL A 254 32.500 -1.349 31.434 1.00 13.94 C
+ATOM 1694 CG1 VAL A 254 33.997 -1.183 31.180 1.00 14.54 C
+ATOM 1695 CG2 VAL A 254 32.164 -2.843 31.423 1.00 12.34 C
+ATOM 1696 N HIS A 255 29.782 -0.170 32.314 1.00 12.72 N
+ATOM 1697 CA HIS A 255 28.328 -0.394 32.375 1.00 11.61 C
+ATOM 1698 C HIS A 255 27.875 -1.432 31.345 1.00 15.37 C
+ATOM 1699 O HIS A 255 27.082 -2.313 31.645 1.00 16.37 O
+ATOM 1700 CB HIS A 255 27.520 0.876 32.133 1.00 11.40 C
+ATOM 1701 CG HIS A 255 27.898 1.927 33.121 1.00 14.22 C
+ATOM 1702 ND1 HIS A 255 29.028 2.717 32.932 1.00 13.63 N
+ATOM 1703 CD2 HIS A 255 27.303 2.275 34.295 1.00 16.89 C
+ATOM 1704 CE1 HIS A 255 29.089 3.552 33.975 1.00 15.82 C
+ATOM 1705 NE2 HIS A 255 28.076 3.288 34.818 1.00 16.84 N
+ATOM 1706 N ASP A 256 28.366 -1.312 30.118 1.00 11.52 N
+ATOM 1707 CA ASP A 256 28.019 -2.226 29.019 1.00 8.26 C
+ATOM 1708 C ASP A 256 29.110 -3.256 28.887 1.00 12.95 C
+ATOM 1709 O ASP A 256 30.151 -3.022 28.273 1.00 12.09 O
+ATOM 1710 CB ASP A 256 27.954 -1.431 27.699 1.00 10.93 C
+ATOM 1711 CG ASP A 256 27.597 -2.261 26.474 1.00 23.10 C
+ATOM 1712 OD1 ASP A 256 27.588 -3.476 26.432 1.00 11.91 O
+ATOM 1713 OD2 ASP A 256 27.324 -1.524 25.427 1.00 39.07 O
+ATOM 1714 N VAL A 257 28.871 -4.382 29.530 1.00 11.87 N
+ATOM 1715 CA VAL A 257 29.812 -5.456 29.558 1.00 10.53 C
+ATOM 1716 C VAL A 257 30.134 -6.026 28.169 1.00 11.24 C
+ATOM 1717 O VAL A 257 31.293 -6.213 27.786 1.00 9.48 O
+ATOM 1718 CB VAL A 257 29.297 -6.526 30.520 1.00 15.06 C
+ATOM 1719 CG1 VAL A 257 30.156 -7.783 30.493 1.00 10.37 C
+ATOM 1720 CG2 VAL A 257 29.329 -5.952 31.941 1.00 15.29 C
+ATOM 1721 N ARG A 258 29.075 -6.349 27.439 1.00 10.63 N
+ATOM 1722 CA ARG A 258 29.229 -6.929 26.101 1.00 7.14 C
+ATOM 1723 C ARG A 258 30.158 -6.120 25.251 1.00 12.36 C
+ATOM 1724 O ARG A 258 31.088 -6.658 24.637 1.00 13.66 O
+ATOM 1725 CB ARG A 258 27.897 -6.983 25.392 1.00 11.50 C
+ATOM 1726 CG ARG A 258 27.963 -7.865 24.151 1.00 16.99 C
+ATOM 1727 CD ARG A 258 26.555 -8.139 23.638 1.00 11.74 C
+ATOM 1728 NE ARG A 258 26.137 -6.947 22.923 1.00 31.95 N
+ATOM 1729 CZ ARG A 258 25.455 -6.990 21.781 1.00 79.77 C
+ATOM 1730 NH1 ARG A 258 25.092 -8.156 21.240 1.00 40.78 N
+ATOM 1731 NH2 ARG A 258 25.130 -5.845 21.171 1.00 30.54 N
+ATOM 1732 N ALA A 259 29.914 -4.815 25.242 1.00 10.03 N
+ATOM 1733 CA ALA A 259 30.742 -3.927 24.450 1.00 10.16 C
+ATOM 1734 C ALA A 259 32.232 -4.031 24.796 1.00 12.58 C
+ATOM 1735 O ALA A 259 33.080 -4.184 23.903 1.00 11.35 O
+ATOM 1736 CB ALA A 259 30.166 -2.517 24.446 1.00 9.82 C
+ATOM 1737 N SER A 260 32.569 -3.962 26.093 1.00 6.70 N
+ATOM 1738 CA SER A 260 33.968 -4.062 26.470 1.00 8.20 C
+ATOM 1739 C SER A 260 34.530 -5.461 26.261 1.00 11.98 C
+ATOM 1740 O SER A 260 35.694 -5.628 25.928 1.00 14.20 O
+ATOM 1741 CB SER A 260 34.285 -3.470 27.850 1.00 8.71 C
+ATOM 1742 OG SER A 260 34.249 -2.044 27.783 1.00 11.50 O
+ATOM 1743 N VAL A 261 33.712 -6.496 26.463 1.00 8.90 N
+ATOM 1744 CA VAL A 261 34.195 -7.849 26.239 1.00 10.19 C
+ATOM 1745 C VAL A 261 34.477 -8.041 24.737 1.00 13.22 C
+ATOM 1746 O VAL A 261 35.471 -8.655 24.343 1.00 12.73 O
+ATOM 1747 CB VAL A 261 33.199 -8.890 26.782 1.00 16.23 C
+ATOM 1748 CG1 VAL A 261 33.556 -10.311 26.339 1.00 13.12 C
+ATOM 1749 CG2 VAL A 261 33.177 -8.831 28.328 1.00 13.00 C
+ATOM 1750 N ASP A 262 33.588 -7.496 23.904 1.00 12.32 N
+ATOM 1751 CA ASP A 262 33.756 -7.567 22.454 1.00 12.72 C
+ATOM 1752 C ASP A 262 35.111 -6.969 22.065 1.00 15.56 C
+ATOM 1753 O ASP A 262 35.917 -7.580 21.318 1.00 11.44 O
+ATOM 1754 CB ASP A 262 32.624 -6.769 21.760 1.00 12.45 C
+ATOM 1755 CG ASP A 262 31.303 -7.488 21.712 1.00 5.30 C
+ATOM 1756 OD1 ASP A 262 31.113 -8.574 22.237 1.00 10.76 O
+ATOM 1757 OD2 ASP A 262 30.347 -6.768 21.155 1.00 10.65 O
+ATOM 1758 N ALA A 263 35.379 -5.764 22.633 1.00 9.66 N
+ATOM 1759 CA ALA A 263 36.619 -5.044 22.368 1.00 8.57 C
+ATOM 1760 C ALA A 263 37.844 -5.854 22.724 1.00 14.45 C
+ATOM 1761 O ALA A 263 38.829 -5.875 21.991 1.00 13.14 O
+ATOM 1762 CB ALA A 263 36.665 -3.687 23.069 1.00 12.72 C
+ATOM 1763 N ILE A 264 37.757 -6.511 23.883 1.00 14.29 N
+ATOM 1764 CA ILE A 264 38.831 -7.345 24.387 1.00 16.87 C
+ATOM 1765 C ILE A 264 39.073 -8.552 23.491 1.00 17.28 C
+ATOM 1766 O ILE A 264 40.210 -8.917 23.166 1.00 15.07 O
+ATOM 1767 CB ILE A 264 38.628 -7.706 25.861 1.00 17.15 C
+ATOM 1768 CG1 ILE A 264 38.599 -6.399 26.663 1.00 14.93 C
+ATOM 1769 CG2 ILE A 264 39.812 -8.581 26.294 1.00 15.99 C
+ATOM 1770 CD1 ILE A 264 39.118 -5.173 25.921 0.30 26.32 C
+ATOM 1771 N LYS A 265 37.989 -9.160 23.063 1.00 12.50 N
+ATOM 1772 CA LYS A 265 38.124 -10.295 22.151 1.00 14.18 C
+ATOM 1773 C LYS A 265 38.848 -9.860 20.860 1.00 14.33 C
+ATOM 1774 O LYS A 265 39.727 -10.564 20.332 1.00 13.94 O
+ATOM 1775 CB LYS A 265 36.752 -10.874 21.812 1.00 13.77 C
+ATOM 1776 CG LYS A 265 36.053 -11.495 23.012 1.00 14.76 C
+ATOM 1777 CD LYS A 265 34.706 -12.121 22.697 1.00 16.75 C
+ATOM 1778 CE LYS A 265 34.155 -12.927 23.876 1.00 16.17 C
+ATOM 1779 NZ LYS A 265 32.702 -13.160 23.781 1.00 16.11 N
+ATOM 1780 N VAL A 266 38.496 -8.660 20.365 1.00 9.63 N
+ATOM 1781 CA VAL A 266 39.134 -8.148 19.150 1.00 10.61 C
+ATOM 1782 C VAL A 266 40.644 -7.980 19.356 1.00 18.23 C
+ATOM 1783 O VAL A 266 41.487 -8.405 18.556 1.00 14.30 O
+ATOM 1784 CB VAL A 266 38.531 -6.811 18.641 1.00 12.92 C
+ATOM 1785 CG1 VAL A 266 39.378 -6.216 17.498 1.00 7.68 C
+ATOM 1786 CG2 VAL A 266 37.098 -7.001 18.112 1.00 11.60 C
+ATOM 1787 N VAL A 267 40.995 -7.304 20.445 1.00 12.38 N
+ATOM 1788 CA VAL A 267 42.388 -7.052 20.727 1.00 11.25 C
+ATOM 1789 C VAL A 267 43.148 -8.358 20.789 1.00 13.26 C
+ATOM 1790 O VAL A 267 44.230 -8.500 20.225 1.00 14.16 O
+ATOM 1791 CB VAL A 267 42.578 -6.294 22.031 1.00 11.23 C
+ATOM 1792 CG1 VAL A 267 44.071 -6.247 22.303 1.00 11.47 C
+ATOM 1793 CG2 VAL A 267 42.046 -4.886 21.856 1.00 9.66 C
+ATOM 1794 N GLU A 268 42.575 -9.326 21.482 1.00 11.02 N
+ATOM 1795 CA GLU A 268 43.248 -10.594 21.615 1.00 13.42 C
+ATOM 1796 C GLU A 268 43.357 -11.322 20.291 1.00 16.00 C
+ATOM 1797 O GLU A 268 44.373 -11.958 20.012 1.00 14.23 O
+ATOM 1798 CB GLU A 268 42.537 -11.513 22.612 1.00 18.60 C
+ATOM 1799 CG GLU A 268 42.788 -13.005 22.307 1.00 63.97 C
+ATOM 1800 CD GLU A 268 42.355 -13.909 23.436 1.00100.00 C
+ATOM 1801 OE1 GLU A 268 42.644 -15.101 23.480 1.00100.00 O
+ATOM 1802 OE2 GLU A 268 41.642 -13.283 24.357 1.00 86.98 O
+ATOM 1803 N ALA A 269 42.304 -11.246 19.485 1.00 15.72 N
+ATOM 1804 CA ALA A 269 42.379 -11.895 18.198 1.00 14.42 C
+ATOM 1805 C ALA A 269 43.415 -11.196 17.326 1.00 13.90 C
+ATOM 1806 O ALA A 269 44.220 -11.828 16.648 1.00 16.88 O
+ATOM 1807 CB ALA A 269 41.013 -11.924 17.545 1.00 11.21 C
+ATOM 1808 N TRP A 270 43.431 -9.879 17.345 1.00 8.90 N
+ATOM 1809 CA TRP A 270 44.381 -9.160 16.531 1.00 12.12 C
+ATOM 1810 C TRP A 270 45.806 -9.371 17.009 1.00 19.59 C
+ATOM 1811 O TRP A 270 46.704 -9.767 16.266 1.00 14.71 O
+ATOM 1812 CB TRP A 270 44.025 -7.670 16.532 1.00 13.11 C
+ATOM 1813 CG TRP A 270 44.880 -6.726 15.730 1.00 11.94 C
+ATOM 1814 CD1 TRP A 270 46.225 -6.569 15.787 1.00 11.87 C
+ATOM 1815 CD2 TRP A 270 44.408 -5.724 14.809 1.00 10.71 C
+ATOM 1816 NE1 TRP A 270 46.624 -5.568 14.921 1.00 10.73 N
+ATOM 1817 CE2 TRP A 270 45.524 -5.021 14.322 1.00 12.63 C
+ATOM 1818 CE3 TRP A 270 43.147 -5.354 14.352 1.00 12.94 C
+ATOM 1819 CZ2 TRP A 270 45.403 -3.970 13.403 1.00 10.53 C
+ATOM 1820 CZ3 TRP A 270 43.034 -4.318 13.452 1.00 9.69 C
+ATOM 1821 CH2 TRP A 270 44.150 -3.639 12.968 1.00 9.08 C
+ATOM 1822 N MET A 271 46.034 -9.088 18.275 1.00 15.74 N
+ATOM 1823 CA MET A 271 47.370 -9.216 18.833 1.00 17.36 C
+ATOM 1824 C MET A 271 47.938 -10.622 18.875 1.00 20.78 C
+ATOM 1825 O MET A 271 49.161 -10.796 18.923 1.00 22.31 O
+ATOM 1826 CB MET A 271 47.486 -8.493 20.186 1.00 18.29 C
+ATOM 1827 CG MET A 271 47.192 -7.003 20.009 1.00 19.65 C
+ATOM 1828 SD MET A 271 48.416 -6.189 18.944 1.00 22.10 S
+ATOM 1829 CE MET A 271 49.893 -6.346 19.994 1.00 18.18 C
+ATOM 1830 N GLY A 272 47.069 -11.625 18.859 1.00 17.23 N
+ATOM 1831 CA GLY A 272 47.586 -12.970 18.894 1.00 20.87 C
+ATOM 1832 C GLY A 272 47.728 -13.599 17.501 1.00 37.49 C
+ATOM 1833 O GLY A 272 48.086 -14.769 17.389 1.00 38.21 O
+ATOM 1834 N ALA A 273 47.437 -12.858 16.424 1.00 34.23 N
+ATOM 1835 CA ALA A 273 47.491 -13.459 15.091 1.00 32.09 C
+ATOM 1836 C ALA A 273 48.831 -13.749 14.460 1.00 49.37 C
+ATOM 1837 O ALA A 273 49.139 -13.268 13.373 1.00 41.22 O
+ATOM 1838 CB ALA A 273 46.446 -13.005 14.097 1.00 25.29 C
+ATOM 1839 N GLU A 274 49.588 -14.581 15.169 1.00 62.46 N
+ATOM 1840 CA GLU A 274 50.896 -15.088 14.785 1.00 83.06 C
+ATOM 1841 C GLU A 274 51.547 -14.223 13.729 1.00 87.84 C
+ATOM 1842 O GLU A 274 52.334 -14.744 12.946 1.00 62.86 O
+ATOM 1843 CB GLU A 274 50.811 -16.546 14.279 1.00 83.10 C
+ATOM 1844 CG GLU A 274 49.743 -17.398 15.000 1.00 91.74 C
+ATOM 1845 CD GLU A 274 48.321 -17.015 14.668 1.00100.00 C
+ATOM 1846 OE1 GLU A 274 48.007 -16.446 13.628 1.00100.00 O
+ATOM 1847 OE2 GLU A 274 47.486 -17.241 15.663 1.00100.00 O
+TER 1848 GLU A 274
+END
diff --git a/doc/tests/data/1eye_rec.pdb b/doc/tests/data/1eye_rec.pdb
new file mode 100644
index 0000000000000000000000000000000000000000..30fe8ba4fd27302a7ecf7987eb958ce0e0a4b1cb
--- /dev/null
+++ b/doc/tests/data/1eye_rec.pdb
@@ -0,0 +1,1849 @@
+ATOM 1 N PRO A 5 45.592 -10.864 30.192 1.00 34.54 N
+ATOM 2 CA PRO A 5 44.171 -10.936 30.504 1.00 36.98 C
+ATOM 3 C PRO A 5 43.719 -9.688 31.278 1.00 38.74 C
+ATOM 4 O PRO A 5 44.410 -9.176 32.157 1.00 47.18 O
+ATOM 5 CB PRO A 5 43.983 -12.204 31.344 1.00 33.75 C
+ATOM 6 CG PRO A 5 45.161 -13.100 30.949 1.00 0.00 C
+ATOM 7 CD PRO A 5 46.305 -12.103 30.742 1.00 0.00 C
+ATOM 8 N VAL A 6 42.568 -9.163 30.911 1.00 19.03 N
+ATOM 9 CA VAL A 6 42.020 -7.964 31.504 1.00 15.24 C
+ATOM 10 C VAL A 6 40.707 -8.290 32.173 1.00 17.57 C
+ATOM 11 O VAL A 6 39.837 -8.907 31.570 1.00 21.63 O
+ATOM 12 CB VAL A 6 41.759 -6.950 30.407 1.00 17.99 C
+ATOM 13 CG1 VAL A 6 41.121 -5.636 30.906 1.00 0.00 C
+ATOM 14 CG2 VAL A 6 43.037 -6.608 29.615 1.00 0.00 C
+ATOM 15 N GLN A 7 40.559 -7.894 33.411 1.00 14.13 N
+ATOM 16 CA GLN A 7 39.331 -8.179 34.136 1.00 13.37 C
+ATOM 17 C GLN A 7 38.234 -7.222 33.742 1.00 13.37 C
+ATOM 18 O GLN A 7 38.467 -6.042 33.560 1.00 19.45 O
+ATOM 19 CB GLN A 7 39.503 -8.035 35.656 1.00 11.59 C
+ATOM 20 CG GLN A 7 40.525 -9.006 36.309 1.00 0.00 C
+ATOM 21 CD GLN A 7 40.097 -10.472 36.193 1.00 0.00 C
+ATOM 22 OE1 GLN A 7 38.980 -10.846 36.547 1.00 0.00 O
+ATOM 23 NE2 GLN A 7 41.005 -11.335 35.682 1.00 0.00 N
+ATOM 24 N VAL A 8 37.022 -7.731 33.632 1.00 13.01 N
+ATOM 25 CA VAL A 8 35.899 -6.883 33.289 1.00 12.55 C
+ATOM 26 C VAL A 8 35.022 -6.804 34.524 1.00 15.27 C
+ATOM 27 O VAL A 8 34.542 -7.834 35.002 1.00 12.40 O
+ATOM 28 CB VAL A 8 35.117 -7.396 32.068 1.00 14.95 C
+ATOM 29 CG1 VAL A 8 33.896 -6.528 31.695 1.00 0.00 C
+ATOM 30 CG2 VAL A 8 36.014 -7.545 30.823 1.00 0.00 C
+ATOM 31 N MET A 9 34.891 -5.580 35.046 1.00 12.14 N
+ATOM 32 CA MET A 9 34.089 -5.321 36.231 1.00 11.17 C
+ATOM 33 C MET A 9 32.823 -4.600 35.794 1.00 11.00 C
+ATOM 34 O MET A 9 32.847 -3.474 35.320 1.00 10.21 O
+ATOM 35 CB MET A 9 34.915 -4.522 37.260 1.00 11.43 C
+ATOM 36 CG MET A 9 34.201 -4.194 38.592 1.00 0.00 C
+ATOM 37 SD MET A 9 35.313 -3.260 39.691 1.00 0.00 S
+ATOM 38 CE MET A 9 36.474 -4.595 40.121 1.00 0.00 C
+ATOM 39 N GLY A 10 31.698 -5.282 35.910 1.00 10.62 N
+ATOM 40 CA GLY A 10 30.429 -4.701 35.496 1.00 11.61 C
+ATOM 41 C GLY A 10 29.786 -3.928 36.616 1.00 14.27 C
+ATOM 42 O GLY A 10 29.772 -4.390 37.744 1.00 14.36 O
+ATOM 43 N VAL A 11 29.276 -2.755 36.279 1.00 15.46 N
+ATOM 44 CA VAL A 11 28.652 -1.824 37.218 1.00 13.01 C
+ATOM 45 C VAL A 11 27.193 -2.131 37.518 1.00 19.28 C
+ATOM 46 O VAL A 11 26.371 -2.245 36.597 1.00 13.08 O
+ATOM 47 CB VAL A 11 28.765 -0.384 36.695 1.00 10.97 C
+ATOM 48 CG1 VAL A 11 28.058 0.663 37.582 1.00 0.00 C
+ATOM 49 CG2 VAL A 11 30.231 0.049 36.495 1.00 0.00 C
+ATOM 50 N LEU A 12 26.879 -2.238 38.819 1.00 12.43 N
+ATOM 51 CA LEU A 12 25.512 -2.482 39.238 1.00 16.16 C
+ATOM 52 C LEU A 12 25.129 -1.444 40.276 1.00 21.86 C
+ATOM 53 O LEU A 12 25.420 -1.599 41.460 1.00 17.10 O
+ATOM 54 CB LEU A 12 25.308 -3.917 39.771 1.00 19.35 C
+ATOM 55 CG LEU A 12 23.884 -4.312 40.229 1.00 0.00 C
+ATOM 56 CD1 LEU A 12 22.898 -4.224 39.054 1.00 0.00 C
+ATOM 57 CD2 LEU A 12 23.817 -5.746 40.776 1.00 0.00 C
+ATOM 58 N ASN A 13 24.530 -0.356 39.792 1.00 20.07 N
+ATOM 59 CA ASN A 13 24.127 0.754 40.647 1.00 20.08 C
+ATOM 60 C ASN A 13 22.823 0.409 41.287 1.00 27.37 C
+ATOM 61 O ASN A 13 21.805 0.289 40.598 1.00 25.79 O
+ATOM 62 CB ASN A 13 23.945 2.064 39.859 1.00 29.84 C
+ATOM 63 CG ASN A 13 23.607 3.280 40.727 1.00 0.00 C
+ATOM 64 OD1 ASN A 13 23.905 3.346 41.921 1.00 0.00 O
+ATOM 65 ND2 ASN A 13 22.956 4.291 40.109 1.00 0.00 N
+ATOM 66 N VAL A 14 22.866 0.219 42.591 1.00 20.77 N
+ATOM 67 CA VAL A 14 21.639 -0.157 43.253 1.00 26.59 C
+ATOM 68 C VAL A 14 20.898 1.039 43.832 1.00 43.97 C
+ATOM 69 O VAL A 14 19.894 0.894 44.535 1.00 44.07 O
+ATOM 70 CB VAL A 14 21.834 -1.310 44.228 1.00 29.30 C
+ATOM 71 CG1 VAL A 14 22.375 -2.600 43.574 1.00 0.00 C
+ATOM 72 CG2 VAL A 14 22.756 -0.929 45.403 1.00 0.00 C
+ATOM 73 N THR A 15 21.392 2.232 43.509 1.00 44.44 N
+ATOM 74 CA THR A 15 20.744 3.440 43.977 1.00 44.49 C
+ATOM 75 C THR A 15 19.716 3.899 42.969 1.00 50.20 C
+ATOM 76 O THR A 15 19.565 3.388 41.866 1.00 49.81 O
+ATOM 77 CB THR A 15 21.729 4.606 44.158 1.00 43.16 C
+ATOM 78 OG1 THR A 15 22.321 5.006 42.925 1.00 0.00 O
+ATOM 79 CG2 THR A 15 22.862 4.375 45.164 1.00 0.00 C
+ATOM 80 N ASP A 16 18.966 4.887 43.353 1.00 50.29 N
+ATOM 81 CA ASP A 16 18.062 5.408 42.378 1.00 53.32 C
+ATOM 82 C ASP A 16 18.721 6.751 42.209 1.00 52.77 C
+ATOM 83 O ASP A 16 19.152 7.375 43.180 1.00 66.38 O
+ATOM 84 CB ASP A 16 16.566 5.386 42.750 1.00 62.05 C
+ATOM 85 CG ASP A 16 15.673 5.859 41.612 1.00 0.00 C
+ATOM 86 OD1 ASP A 16 16.225 6.331 40.586 1.00 0.00 O
+ATOM 87 OD2 ASP A 16 14.433 5.751 41.760 1.00 0.00 O
+ATOM 88 N ASP A 17 18.955 7.154 40.998 1.00 29.49 N
+ATOM 89 CA ASP A 17 19.656 8.398 40.793 1.00 24.01 C
+ATOM 90 C ASP A 17 19.332 8.950 39.417 1.00 25.36 C
+ATOM 91 O ASP A 17 19.627 8.322 38.386 1.00 21.31 O
+ATOM 92 CB ASP A 17 21.162 8.139 40.929 1.00 22.33 C
+ATOM 93 CG ASP A 17 21.983 9.419 40.875 1.00 0.00 C
+ATOM 94 OD1 ASP A 17 21.388 10.490 40.594 1.00 0.00 O
+ATOM 95 OD2 ASP A 17 23.211 9.335 41.115 1.00 0.00 O
+ATOM 96 N SER A 18 18.714 10.125 39.422 1.00 23.84 N
+ATOM 97 CA SER A 18 18.310 10.790 38.196 1.00 21.44 C
+ATOM 98 C SER A 18 19.422 10.995 37.184 1.00 20.28 C
+ATOM 99 O SER A 18 19.199 10.936 35.974 1.00 23.17 O
+ATOM 100 CB SER A 18 17.660 12.112 38.522 1.00 22.20 C
+ATOM 101 OG SER A 18 18.571 13.034 39.136 1.00 0.00 O
+ATOM 102 N PHE A 19 20.614 11.256 37.700 1.00 15.42 N
+ATOM 103 CA PHE A 19 21.755 11.524 36.870 1.00 16.54 C
+ATOM 104 C PHE A 19 22.583 10.297 36.588 1.00 18.93 C
+ATOM 105 O PHE A 19 23.684 10.424 36.071 1.00 20.37 O
+ATOM 106 CB PHE A 19 22.650 12.579 37.570 1.00 20.74 C
+ATOM 107 CG PHE A 19 21.982 13.929 37.684 1.00 0.00 C
+ATOM 108 CD1 PHE A 19 21.330 14.281 38.849 1.00 0.00 C
+ATOM 109 CD2 PHE A 19 22.023 14.811 36.623 1.00 0.00 C
+ATOM 110 CE1 PHE A 19 20.711 15.532 38.954 1.00 0.00 C
+ATOM 111 CE2 PHE A 19 21.404 16.062 36.729 1.00 0.00 C
+ATOM 112 CZ PHE A 19 20.753 16.427 37.878 1.00 0.00 C
+ATOM 113 N SER A 20 22.089 9.126 36.926 1.00 16.47 N
+ATOM 114 CA SER A 20 22.896 7.916 36.741 1.00 17.38 C
+ATOM 115 C SER A 20 23.557 7.736 35.383 1.00 24.54 C
+ATOM 116 O SER A 20 22.957 8.057 34.346 1.00 22.42 O
+ATOM 117 CB SER A 20 22.105 6.658 37.082 1.00 24.19 C
+ATOM 118 OG SER A 20 22.845 5.458 36.819 1.00 0.00 O
+ATOM 119 N ASP A 21 24.783 7.186 35.428 1.00 16.63 N
+ATOM 120 CA ASP A 21 25.551 6.862 34.233 1.00 15.29 C
+ATOM 121 C ASP A 21 25.074 5.509 33.720 1.00 26.33 C
+ATOM 122 O ASP A 21 25.320 5.103 32.587 1.00 23.07 O
+ATOM 123 CB ASP A 21 27.061 6.722 34.518 1.00 14.38 C
+ATOM 124 CG ASP A 21 27.708 8.044 34.907 1.00 0.00 C
+ATOM 125 OD1 ASP A 21 27.099 9.105 34.620 1.00 0.00 O
+ATOM 126 OD2 ASP A 21 28.816 8.000 35.493 1.00 0.00 O
+ATOM 127 N GLY A 22 24.401 4.733 34.542 1.00 24.13 N
+ATOM 128 CA GLY A 22 24.035 3.486 33.957 1.00 24.94 C
+ATOM 129 C GLY A 22 23.183 2.600 34.794 1.00 47.38 C
+ATOM 130 O GLY A 22 23.705 1.883 35.659 1.00 50.35 O
+ATOM 131 N GLY A 23 21.893 2.684 34.444 1.00 48.87 N
+ATOM 132 CA GLY A 23 20.810 1.925 35.041 1.00 51.44 C
+ATOM 133 C GLY A 23 20.746 1.981 36.563 1.00 58.33 C
+ATOM 134 O GLY A 23 21.749 1.981 37.282 1.00 48.14 O
+ATOM 135 N CYS A 24 19.510 2.026 37.036 1.00 67.25 N
+ATOM 136 CA CYS A 24 19.219 2.072 38.450 1.00 74.94 C
+ATOM 137 C CYS A 24 18.489 0.811 38.844 1.00 81.18 C
+ATOM 138 O CYS A 24 17.296 0.669 38.572 1.00 89.01 O
+ATOM 139 CB CYS A 24 18.328 3.270 38.841 1.00 79.91 C
+ATOM 140 SG CYS A 24 19.082 4.905 38.483 1.00 0.00 S
+ATOM 141 N TYR A 25 19.193 -0.111 39.482 1.00 65.26 N
+ATOM 142 CA TYR A 25 18.508 -1.316 39.880 1.00 56.91 C
+ATOM 143 C TYR A 25 18.223 -1.355 41.359 1.00 59.74 C
+ATOM 144 O TYR A 25 18.734 -2.220 42.065 1.00 60.53 O
+ATOM 145 CB TYR A 25 19.171 -2.599 39.392 1.00 47.76 C
+ATOM 146 CG TYR A 25 19.211 -2.705 37.885 1.00 0.00 C
+ATOM 147 CD1 TYR A 25 20.338 -2.305 37.195 1.00 0.00 C
+ATOM 148 CD2 TYR A 25 18.122 -3.201 37.199 1.00 0.00 C
+ATOM 149 CE1 TYR A 25 20.375 -2.403 35.799 1.00 0.00 C
+ATOM 150 CE2 TYR A 25 18.159 -3.299 35.803 1.00 0.00 C
+ATOM 151 CZ TYR A 25 19.270 -2.907 35.103 1.00 0.00 C
+ATOM 152 OH TYR A 25 19.308 -3.005 33.707 1.00 0.00 O
+ATOM 153 N LEU A 26 17.407 -0.401 41.799 1.00 54.34 N
+ATOM 154 CA LEU A 26 16.990 -0.318 43.190 1.00 57.10 C
+ATOM 155 C LEU A 26 16.216 -1.591 43.570 1.00 48.44 C
+ATOM 156 O LEU A 26 16.396 -2.156 44.657 1.00 47.57 O
+ATOM 157 CB LEU A 26 16.148 0.964 43.413 1.00 57.95 C
+ATOM 158 CG LEU A 26 15.636 1.241 44.847 1.00 0.00 C
+ATOM 159 CD1 LEU A 26 16.816 1.377 45.821 1.00 0.00 C
+ATOM 160 CD2 LEU A 26 14.814 2.535 44.939 1.00 0.00 C
+ATOM 161 N ASP A 27 15.364 -2.047 42.640 1.00 30.82 N
+ATOM 162 CA ASP A 27 14.562 -3.237 42.817 1.00 25.40 C
+ATOM 163 C ASP A 27 15.428 -4.474 42.952 1.00 30.03 C
+ATOM 164 O ASP A 27 16.115 -4.849 42.014 1.00 31.21 O
+ATOM 165 CB ASP A 27 13.610 -3.466 41.641 1.00 23.68 C
+ATOM 166 CG ASP A 27 12.679 -4.649 41.864 1.00 0.00 C
+ATOM 167 OD1 ASP A 27 13.191 -5.794 41.951 1.00 0.00 O
+ATOM 168 OD2 ASP A 27 11.450 -4.416 41.949 1.00 0.00 O
+ATOM 169 N LEU A 28 15.387 -5.130 44.097 1.00 28.65 N
+ATOM 170 CA LEU A 28 16.205 -6.321 44.298 1.00 31.49 C
+ATOM 171 C LEU A 28 16.312 -7.267 43.111 1.00 32.67 C
+ATOM 172 O LEU A 28 17.398 -7.628 42.649 1.00 29.52 O
+ATOM 173 CB LEU A 28 15.761 -7.129 45.540 1.00 34.87 C
+ATOM 174 CG LEU A 28 16.531 -8.433 45.855 1.00 0.00 C
+ATOM 175 CD1 LEU A 28 18.010 -8.129 46.139 1.00 0.00 C
+ATOM 176 CD2 LEU A 28 15.971 -9.167 47.083 1.00 0.00 C
+ATOM 177 N ASP A 29 15.176 -7.734 42.644 1.00 30.49 N
+ATOM 178 CA ASP A 29 15.201 -8.680 41.555 1.00 32.66 C
+ATOM 179 C ASP A 29 15.729 -8.180 40.215 1.00 25.18 C
+ATOM 180 O ASP A 29 16.359 -8.937 39.486 1.00 29.28 O
+ATOM 181 CB ASP A 29 13.950 -9.573 41.502 1.00 37.39 C
+ATOM 182 CG ASP A 29 13.913 -10.595 42.629 1.00 0.00 C
+ATOM 183 OD1 ASP A 29 14.980 -10.829 43.249 1.00 0.00 O
+ATOM 184 OD2 ASP A 29 12.815 -11.148 42.878 1.00 0.00 O
+ATOM 185 N ASP A 30 15.506 -6.927 39.879 1.00 27.18 N
+ATOM 186 CA ASP A 30 16.025 -6.427 38.620 1.00 31.02 C
+ATOM 187 C ASP A 30 17.526 -6.382 38.712 1.00 28.33 C
+ATOM 188 O ASP A 30 18.263 -6.698 37.787 1.00 26.62 O
+ATOM 189 CB ASP A 30 15.628 -4.964 38.375 1.00 40.95 C
+ATOM 190 CG ASP A 30 14.147 -4.805 38.061 1.00 0.00 C
+ATOM 191 OD1 ASP A 30 13.504 -5.827 37.718 1.00 0.00 O
+ATOM 192 OD2 ASP A 30 13.650 -3.658 38.164 1.00 0.00 O
+ATOM 193 N ALA A 31 17.955 -5.906 39.862 1.00 27.77 N
+ATOM 194 CA ALA A 31 19.358 -5.755 40.146 1.00 20.63 C
+ATOM 195 C ALA A 31 20.048 -7.096 39.993 1.00 26.12 C
+ATOM 196 O ALA A 31 21.020 -7.254 39.254 1.00 19.57 O
+ATOM 197 CB ALA A 31 19.527 -5.170 41.542 1.00 20.27 C
+ATOM 198 N VAL A 32 19.543 -8.086 40.722 1.00 19.38 N
+ATOM 199 CA VAL A 32 20.107 -9.416 40.651 1.00 16.25 C
+ATOM 200 C VAL A 32 20.150 -9.891 39.198 1.00 18.67 C
+ATOM 201 O VAL A 32 21.165 -10.387 38.688 1.00 18.46 O
+ATOM 202 CB VAL A 32 19.346 -10.383 41.576 1.00 19.67 C
+ATOM 203 CG1 VAL A 32 19.743 -11.865 41.398 1.00 0.00 C
+ATOM 204 CG2 VAL A 32 19.499 -10.007 43.063 1.00 0.00 C
+ATOM 205 N LYS A 33 19.023 -9.721 38.523 1.00 17.30 N
+ATOM 206 CA LYS A 33 18.928 -10.122 37.133 1.00 25.48 C
+ATOM 207 C LYS A 33 20.036 -9.469 36.303 1.00 22.77 C
+ATOM 208 O LYS A 33 20.667 -10.108 35.459 1.00 18.18 O
+ATOM 209 CB LYS A 33 17.553 -9.740 36.596 1.00 27.17 C
+ATOM 210 CG LYS A 33 17.271 -10.137 35.132 1.00 0.00 C
+ATOM 211 CD LYS A 33 15.849 -9.775 34.666 1.00 0.00 C
+ATOM 212 CE LYS A 33 15.605 -10.141 33.195 1.00 0.00 C
+ATOM 213 NZ LYS A 33 14.247 -9.780 32.797 1.00 0.00 N
+ATOM 214 N HIS A 34 20.236 -8.174 36.559 1.00 18.71 N
+ATOM 215 CA HIS A 34 21.242 -7.399 35.867 1.00 21.50 C
+ATOM 216 C HIS A 34 22.655 -7.916 36.156 1.00 23.75 C
+ATOM 217 O HIS A 34 23.495 -8.085 35.258 1.00 17.32 O
+ATOM 218 CB HIS A 34 21.071 -5.884 36.133 1.00 22.87 C
+ATOM 219 CG HIS A 34 22.060 -5.018 35.403 1.00 0.00 C
+ATOM 220 ND1 HIS A 34 22.047 -4.810 34.040 1.00 0.00 N
+ATOM 221 CD2 HIS A 34 23.109 -4.301 35.888 1.00 0.00 C
+ATOM 222 CE1 HIS A 34 23.081 -3.982 33.755 1.00 0.00 C
+ATOM 223 NE2 HIS A 34 23.754 -3.648 34.855 1.00 0.00 N
+ATOM 224 N GLY A 35 22.925 -8.211 37.429 1.00 18.33 N
+ATOM 225 CA GLY A 35 24.238 -8.713 37.806 1.00 13.79 C
+ATOM 226 C GLY A 35 24.557 -10.008 37.081 1.00 16.40 C
+ATOM 227 O GLY A 35 25.625 -10.194 36.511 1.00 18.15 O
+ATOM 228 N LEU A 36 23.592 -10.915 37.109 1.00 18.58 N
+ATOM 229 CA LEU A 36 23.717 -12.210 36.458 1.00 22.23 C
+ATOM 230 C LEU A 36 23.981 -12.061 34.958 1.00 17.97 C
+ATOM 231 O LEU A 36 24.779 -12.782 34.363 1.00 16.30 O
+ATOM 232 CB LEU A 36 22.409 -12.997 36.643 1.00 25.06 C
+ATOM 233 CG LEU A 36 22.331 -14.409 36.015 1.00 0.00 C
+ATOM 234 CD1 LEU A 36 23.404 -15.326 36.619 1.00 0.00 C
+ATOM 235 CD2 LEU A 36 20.970 -15.082 36.246 1.00 0.00 C
+ATOM 236 N ALA A 37 23.226 -11.152 34.344 1.00 14.10 N
+ATOM 237 CA ALA A 37 23.373 -10.932 32.898 1.00 18.94 C
+ATOM 238 C ALA A 37 24.782 -10.463 32.569 1.00 20.31 C
+ATOM 239 O ALA A 37 25.363 -10.902 31.581 1.00 19.50 O
+ATOM 240 CB ALA A 37 22.348 -9.933 32.394 1.00 18.36 C
+ATOM 241 N MET A 38 25.312 -9.553 33.416 1.00 11.50 N
+ATOM 242 CA MET A 38 26.674 -9.067 33.267 1.00 10.08 C
+ATOM 243 C MET A 38 27.656 -10.218 33.412 1.00 15.58 C
+ATOM 244 O MET A 38 28.570 -10.363 32.607 1.00 13.03 O
+ATOM 245 CB MET A 38 27.010 -7.946 34.255 1.00 8.79 C
+ATOM 246 CG MET A 38 26.317 -6.588 33.998 1.00 0.00 C
+ATOM 247 SD MET A 38 27.001 -5.311 35.102 1.00 0.00 S
+ATOM 248 CE MET A 38 26.216 -5.833 36.659 1.00 0.00 C
+ATOM 249 N ALA A 39 27.482 -11.088 34.409 1.00 12.64 N
+ATOM 250 CA ALA A 39 28.418 -12.187 34.497 1.00 11.24 C
+ATOM 251 C ALA A 39 28.305 -13.043 33.244 1.00 16.95 C
+ATOM 252 O ALA A 39 29.295 -13.511 32.662 1.00 15.23 O
+ATOM 253 CB ALA A 39 28.116 -13.042 35.723 1.00 14.05 C
+ATOM 254 N ALA A 40 27.065 -13.260 32.825 1.00 18.91 N
+ATOM 255 CA ALA A 40 26.845 -14.063 31.629 1.00 20.20 C
+ATOM 256 C ALA A 40 27.561 -13.450 30.430 1.00 24.52 C
+ATOM 257 O ALA A 40 28.138 -14.187 29.615 1.00 24.48 O
+ATOM 258 CB ALA A 40 25.367 -14.270 31.353 1.00 20.64 C
+ATOM 259 N ALA A 41 27.525 -12.112 30.334 1.00 12.31 N
+ATOM 260 CA ALA A 41 28.189 -11.429 29.242 1.00 8.61 C
+ATOM 261 C ALA A 41 29.705 -11.475 29.351 1.00 18.17 C
+ATOM 262 O ALA A 41 30.383 -11.001 28.455 1.00 19.44 O
+ATOM 263 CB ALA A 41 27.722 -10.000 29.114 1.00 12.11 C
+ATOM 264 N GLY A 42 30.288 -12.003 30.431 1.00 11.19 N
+ATOM 265 CA GLY A 42 31.742 -12.032 30.514 1.00 9.15 C
+ATOM 266 C GLY A 42 32.389 -11.212 31.642 1.00 14.55 C
+ATOM 267 O GLY A 42 33.616 -11.221 31.800 1.00 13.85 O
+ATOM 268 N ALA A 43 31.599 -10.482 32.440 1.00 9.86 N
+ATOM 269 CA ALA A 43 32.170 -9.704 33.544 1.00 13.30 C
+ATOM 270 C ALA A 43 32.709 -10.661 34.580 1.00 18.52 C
+ATOM 271 O ALA A 43 31.960 -11.488 35.069 1.00 18.93 O
+ATOM 272 CB ALA A 43 31.085 -8.890 34.243 1.00 11.55 C
+ATOM 273 N GLY A 44 33.975 -10.571 34.951 1.00 13.22 N
+ATOM 274 CA GLY A 44 34.468 -11.505 35.976 1.00 10.76 C
+ATOM 275 C GLY A 44 34.201 -10.994 37.400 1.00 13.66 C
+ATOM 276 O GLY A 44 34.328 -11.721 38.390 1.00 16.90 O
+ATOM 277 N ILE A 45 33.811 -9.732 37.492 1.00 11.44 N
+ATOM 278 CA ILE A 45 33.478 -9.106 38.769 1.00 10.98 C
+ATOM 279 C ILE A 45 32.224 -8.261 38.590 1.00 13.75 C
+ATOM 280 O ILE A 45 32.082 -7.577 37.558 1.00 12.14 O
+ATOM 281 CB ILE A 45 34.607 -8.174 39.261 1.00 11.55 C
+ATOM 282 CG1 ILE A 45 35.962 -8.897 39.471 1.00 0.00 C
+ATOM 283 CG2 ILE A 45 34.217 -7.305 40.478 1.00 0.00 C
+ATOM 284 CD1 ILE A 45 37.142 -7.950 39.747 1.00 0.00 C
+ATOM 285 N VAL A 46 31.310 -8.279 39.575 1.00 13.33 N
+ATOM 286 CA VAL A 46 30.121 -7.412 39.519 1.00 9.76 C
+ATOM 287 C VAL A 46 30.271 -6.439 40.695 1.00 18.18 C
+ATOM 288 O VAL A 46 30.336 -6.867 41.845 1.00 13.78 O
+ATOM 289 CB VAL A 46 28.774 -8.126 39.571 1.00 14.73 C
+ATOM 290 CG1 VAL A 46 27.558 -7.175 39.533 1.00 0.00 C
+ATOM 291 CG2 VAL A 46 28.623 -9.165 38.443 1.00 0.00 C
+ATOM 292 N ASP A 47 30.426 -5.143 40.384 1.00 17.22 N
+ATOM 293 CA ASP A 47 30.605 -4.077 41.372 1.00 13.85 C
+ATOM 294 C ASP A 47 29.256 -3.469 41.778 1.00 18.93 C
+ATOM 295 O ASP A 47 28.624 -2.762 40.981 1.00 14.47 O
+ATOM 296 CB ASP A 47 31.562 -3.016 40.824 1.00 10.17 C
+ATOM 297 CG ASP A 47 31.845 -1.909 41.829 1.00 0.00 C
+ATOM 298 OD1 ASP A 47 31.188 -1.903 42.900 1.00 0.00 O
+ATOM 299 OD2 ASP A 47 32.720 -1.061 41.532 1.00 0.00 O
+ATOM 300 N VAL A 48 28.809 -3.801 43.008 1.00 15.36 N
+ATOM 301 CA VAL A 48 27.526 -3.336 43.520 1.00 10.92 C
+ATOM 302 C VAL A 48 27.742 -2.046 44.296 1.00 12.95 C
+ATOM 303 O VAL A 48 28.591 -1.963 45.170 1.00 16.67 O
+ATOM 304 CB VAL A 48 26.908 -4.431 44.409 1.00 13.03 C
+ATOM 305 CG1 VAL A 48 25.570 -4.026 45.064 1.00 0.00 C
+ATOM 306 CG2 VAL A 48 26.702 -5.753 43.644 1.00 0.00 C
+ATOM 307 N GLY A 49 27.014 -1.005 43.954 1.00 14.68 N
+ATOM 308 CA GLY A 49 27.191 0.246 44.653 1.00 17.32 C
+ATOM 309 C GLY A 49 25.834 0.835 45.039 1.00 26.66 C
+ATOM 310 O GLY A 49 24.936 0.864 44.195 1.00 24.81 O
+ATOM 311 N GLY A 50 25.707 1.325 46.294 1.00 23.50 N
+ATOM 312 CA GLY A 50 24.465 1.930 46.783 1.00 26.61 C
+ATOM 313 C GLY A 50 24.683 3.339 47.353 1.00 44.86 C
+ATOM 314 O GLY A 50 25.480 4.134 46.840 1.00 31.88 O
+ATOM 315 N GLU A 65 21.919 2.564 52.830 1.00 30.84 N
+ATOM 316 CA GLU A 65 22.962 2.001 51.992 1.00 32.93 C
+ATOM 317 C GLU A 65 23.025 0.491 52.146 1.00 36.42 C
+ATOM 318 O GLU A 65 22.855 -0.239 51.179 1.00 36.57 O
+ATOM 319 CB GLU A 65 24.356 2.668 52.148 1.00 35.54 C
+ATOM 320 CG GLU A 65 25.479 2.105 51.231 1.00 0.00 C
+ATOM 321 CD GLU A 65 26.848 2.776 51.368 1.00 0.00 C
+ATOM 322 OE1 GLU A 65 27.079 3.289 52.495 1.00 0.00 O
+ATOM 323 OE2 GLU A 65 27.643 2.786 50.399 1.00 0.00 O
+ATOM 324 N THR A 66 23.245 -0.006 53.362 1.00 23.82 N
+ATOM 325 CA THR A 66 23.323 -1.447 53.526 1.00 23.25 C
+ATOM 326 C THR A 66 22.048 -2.187 53.159 1.00 29.19 C
+ATOM 327 O THR A 66 22.064 -3.229 52.500 1.00 34.45 O
+ATOM 328 CB THR A 66 24.087 -1.922 54.784 1.00 33.99 C
+ATOM 329 OG1 THR A 66 23.508 -1.420 55.986 1.00 0.00 O
+ATOM 330 CG2 THR A 66 25.584 -1.598 54.820 1.00 0.00 C
+ATOM 331 N SER A 67 20.924 -1.607 53.533 1.00 31.11 N
+ATOM 332 CA SER A 67 19.627 -2.195 53.237 1.00 31.41 C
+ATOM 333 C SER A 67 19.438 -2.405 51.756 1.00 31.68 C
+ATOM 334 O SER A 67 18.734 -3.316 51.339 1.00 35.80 O
+ATOM 335 CB SER A 67 18.455 -1.364 53.780 1.00 43.01 C
+ATOM 336 OG SER A 67 18.347 -0.086 53.139 1.00 0.00 O
+ATOM 337 N ARG A 68 20.032 -1.538 50.955 1.00 29.47 N
+ATOM 338 CA ARG A 68 19.844 -1.708 49.522 1.00 36.88 C
+ATOM 339 C ARG A 68 20.826 -2.677 48.886 1.00 31.02 C
+ATOM 340 O ARG A 68 20.420 -3.537 48.118 1.00 33.58 O
+ATOM 341 CB ARG A 68 19.828 -0.400 48.728 1.00 50.57 C
+ATOM 342 CG ARG A 68 18.598 0.513 48.951 1.00 0.00 C
+ATOM 343 CD ARG A 68 18.650 1.835 48.167 1.00 0.00 C
+ATOM 344 NE ARG A 68 17.394 2.594 48.497 1.00 0.00 N
+ATOM 345 CZ ARG A 68 17.159 3.840 48.066 1.00 0.00 C
+ATOM 346 NH1 ARG A 68 16.013 4.419 48.418 1.00 0.00 N
+ATOM 347 NH2 ARG A 68 18.028 4.502 47.308 1.00 0.00 N
+ATOM 348 N VAL A 69 22.110 -2.527 49.213 1.00 21.72 N
+ATOM 349 CA VAL A 69 23.129 -3.366 48.607 1.00 21.10 C
+ATOM 350 C VAL A 69 23.267 -4.778 49.134 1.00 21.74 C
+ATOM 351 O VAL A 69 23.565 -5.735 48.402 1.00 19.23 O
+ATOM 352 CB VAL A 69 24.497 -2.682 48.565 1.00 27.21 C
+ATOM 353 CG1 VAL A 69 24.512 -1.358 47.770 1.00 0.00 C
+ATOM 354 CG2 VAL A 69 25.058 -2.416 49.976 1.00 0.00 C
+ATOM 355 N ILE A 70 23.077 -4.925 50.428 1.00 19.75 N
+ATOM 356 CA ILE A 70 23.282 -6.239 50.999 1.00 19.35 C
+ATOM 357 C ILE A 70 22.571 -7.416 50.350 1.00 18.37 C
+ATOM 358 O ILE A 70 23.151 -8.451 50.055 1.00 22.47 O
+ATOM 359 CB ILE A 70 23.198 -6.240 52.523 1.00 23.99 C
+ATOM 360 CG1 ILE A 70 24.365 -5.487 53.210 1.00 0.00 C
+ATOM 361 CG2 ILE A 70 22.968 -7.639 53.137 1.00 0.00 C
+ATOM 362 CD1 ILE A 70 24.147 -5.225 54.710 1.00 0.00 C
+ATOM 363 N PRO A 71 21.291 -7.264 50.146 1.00 17.89 N
+ATOM 364 CA PRO A 71 20.519 -8.310 49.559 1.00 21.28 C
+ATOM 365 C PRO A 71 20.965 -8.639 48.138 1.00 25.02 C
+ATOM 366 O PRO A 71 20.828 -9.770 47.701 1.00 17.82 O
+ATOM 367 CB PRO A 71 19.066 -7.839 49.611 1.00 24.44 C
+ATOM 368 CG PRO A 71 19.031 -6.838 50.771 1.00 0.00 C
+ATOM 369 CD PRO A 71 20.397 -6.151 50.681 1.00 0.00 C
+ATOM 370 N VAL A 72 21.487 -7.643 47.421 1.00 20.17 N
+ATOM 371 CA VAL A 72 21.950 -7.878 46.070 1.00 16.28 C
+ATOM 372 C VAL A 72 23.275 -8.622 46.148 1.00 16.39 C
+ATOM 373 O VAL A 72 23.541 -9.644 45.510 1.00 18.03 O
+ATOM 374 CB VAL A 72 22.108 -6.546 45.373 1.00 19.78 C
+ATOM 375 CG1 VAL A 72 22.745 -6.644 43.970 1.00 0.00 C
+ATOM 376 CG2 VAL A 72 20.770 -5.789 45.255 1.00 0.00 C
+ATOM 377 N VAL A 73 24.131 -8.114 46.994 1.00 12.52 N
+ATOM 378 CA VAL A 73 25.414 -8.758 47.177 1.00 14.76 C
+ATOM 379 C VAL A 73 25.221 -10.220 47.575 1.00 17.48 C
+ATOM 380 O VAL A 73 25.892 -11.097 47.047 1.00 17.78 O
+ATOM 381 CB VAL A 73 26.185 -8.039 48.302 1.00 15.64 C
+ATOM 382 CG1 VAL A 73 27.478 -8.762 48.738 1.00 0.00 C
+ATOM 383 CG2 VAL A 73 26.536 -6.585 47.929 1.00 0.00 C
+ATOM 384 N LYS A 74 24.308 -10.468 48.545 1.00 16.61 N
+ATOM 385 CA LYS A 74 24.054 -11.811 49.024 1.00 14.78 C
+ATOM 386 C LYS A 74 23.594 -12.789 47.952 1.00 18.31 C
+ATOM 387 O LYS A 74 24.125 -13.882 47.836 1.00 26.52 O
+ATOM 388 CB LYS A 74 23.115 -11.846 50.205 1.00 22.34 C
+ATOM 389 CG LYS A 74 22.822 -13.245 50.787 1.00 0.00 C
+ATOM 390 CD LYS A 74 21.896 -13.210 52.018 1.00 0.00 C
+ATOM 391 CE LYS A 74 21.585 -14.614 52.553 1.00 0.00 C
+ATOM 392 NZ LYS A 74 20.707 -14.534 53.717 1.00 0.00 N
+ATOM 393 N GLU A 75 22.611 -12.410 47.157 1.00 19.51 N
+ATOM 394 CA GLU A 75 22.152 -13.303 46.111 1.00 16.95 C
+ATOM 395 C GLU A 75 23.194 -13.534 45.030 1.00 20.46 C
+ATOM 396 O GLU A 75 23.416 -14.651 44.572 1.00 16.93 O
+ATOM 397 CB GLU A 75 20.847 -12.824 45.467 1.00 24.75 C
+ATOM 398 CG GLU A 75 20.262 -13.748 44.360 1.00 0.00 C
+ATOM 399 CD GLU A 75 19.804 -15.133 44.824 1.00 0.00 C
+ATOM 400 OE1 GLU A 75 19.560 -15.227 46.056 1.00 0.00 O
+ATOM 401 OE2 GLU A 75 19.696 -16.068 43.998 1.00 0.00 O
+ATOM 402 N LEU A 76 23.844 -12.459 44.595 1.00 16.47 N
+ATOM 403 CA LEU A 76 24.856 -12.626 43.569 1.00 13.51 C
+ATOM 404 C LEU A 76 25.935 -13.566 44.045 1.00 14.90 C
+ATOM 405 O LEU A 76 26.333 -14.483 43.329 1.00 17.45 O
+ATOM 406 CB LEU A 76 25.457 -11.302 43.018 1.00 13.25 C
+ATOM 407 CG LEU A 76 24.541 -10.412 42.145 1.00 0.00 C
+ATOM 408 CD1 LEU A 76 25.216 -9.061 41.861 1.00 0.00 C
+ATOM 409 CD2 LEU A 76 24.213 -11.054 40.789 1.00 0.00 C
+ATOM 410 N ALA A 77 26.425 -13.331 45.264 1.00 15.52 N
+ATOM 411 CA ALA A 77 27.466 -14.177 45.831 1.00 15.15 C
+ATOM 412 C ALA A 77 26.951 -15.615 45.926 1.00 21.02 C
+ATOM 413 O ALA A 77 27.679 -16.571 45.699 1.00 18.32 O
+ATOM 414 CB ALA A 77 27.977 -13.636 47.165 1.00 12.51 C
+ATOM 415 N ALA A 78 25.672 -15.780 46.236 1.00 17.66 N
+ATOM 416 CA ALA A 78 25.091 -17.115 46.295 1.00 18.38 C
+ATOM 417 C ALA A 78 25.016 -17.759 44.893 1.00 26.64 C
+ATOM 418 O ALA A 78 24.916 -18.989 44.744 1.00 21.25 O
+ATOM 419 CB ALA A 78 23.679 -17.007 46.852 1.00 20.18 C
+ATOM 420 N GLN A 79 25.023 -16.918 43.853 1.00 16.58 N
+ATOM 421 CA GLN A 79 24.986 -17.410 42.492 1.00 16.62 C
+ATOM 422 C GLN A 79 26.405 -17.614 41.971 1.00 19.47 C
+ATOM 423 O GLN A 79 26.695 -17.792 40.809 1.00 18.34 O
+ATOM 424 CB GLN A 79 24.139 -16.541 41.575 1.00 18.59 C
+ATOM 425 CG GLN A 79 22.623 -16.492 41.911 1.00 0.00 C
+ATOM 426 CD GLN A 79 21.841 -15.578 40.963 1.00 0.00 C
+ATOM 427 OE1 GLN A 79 22.384 -15.031 40.005 1.00 0.00 O
+ATOM 428 NE2 GLN A 79 20.527 -15.401 41.230 1.00 0.00 N
+ATOM 429 N GLY A 80 27.334 -17.608 42.878 1.00 18.46 N
+ATOM 430 CA GLY A 80 28.717 -17.830 42.497 1.00 19.37 C
+ATOM 431 C GLY A 80 29.414 -16.646 41.861 1.00 18.50 C
+ATOM 432 O GLY A 80 30.522 -16.786 41.371 1.00 18.48 O
+ATOM 433 N ILE A 81 28.793 -15.483 41.868 1.00 14.00 N
+ATOM 434 CA ILE A 81 29.452 -14.356 41.261 1.00 14.26 C
+ATOM 435 C ILE A 81 30.445 -13.712 42.198 1.00 24.38 C
+ATOM 436 O ILE A 81 30.231 -13.649 43.412 1.00 25.49 O
+ATOM 437 CB ILE A 81 28.450 -13.299 40.811 1.00 24.45 C
+ATOM 438 CG1 ILE A 81 27.483 -13.791 39.704 1.00 0.00 C
+ATOM 439 CG2 ILE A 81 29.090 -11.937 40.460 1.00 0.00 C
+ATOM 440 CD1 ILE A 81 26.314 -12.833 39.421 1.00 0.00 C
+ATOM 441 N THR A 82 31.537 -13.226 41.612 1.00 16.97 N
+ATOM 442 CA THR A 82 32.555 -12.522 42.358 1.00 12.22 C
+ATOM 443 C THR A 82 32.048 -11.077 42.465 1.00 19.97 C
+ATOM 444 O THR A 82 31.913 -10.353 41.466 1.00 19.74 O
+ATOM 445 CB THR A 82 33.951 -12.653 41.710 1.00 11.58 C
+ATOM 446 OG1 THR A 82 34.375 -14.010 41.616 1.00 0.00 O
+ATOM 447 CG2 THR A 82 35.078 -11.861 42.381 1.00 0.00 C
+ATOM 448 N VAL A 83 31.698 -10.672 43.693 1.00 12.22 N
+ATOM 449 CA VAL A 83 31.133 -9.359 43.904 1.00 10.86 C
+ATOM 450 C VAL A 83 32.089 -8.413 44.604 1.00 17.69 C
+ATOM 451 O VAL A 83 32.790 -8.791 45.546 1.00 16.35 O
+ATOM 452 CB VAL A 83 29.858 -9.506 44.754 1.00 14.41 C
+ATOM 453 CG1 VAL A 83 29.190 -8.163 45.121 1.00 0.00 C
+ATOM 454 CG2 VAL A 83 28.809 -10.410 44.077 1.00 0.00 C
+ATOM 455 N SER A 84 32.085 -7.166 44.123 1.00 14.94 N
+ATOM 456 CA SER A 84 32.875 -6.108 44.715 1.00 14.36 C
+ATOM 457 C SER A 84 31.871 -5.168 45.305 1.00 17.25 C
+ATOM 458 O SER A 84 30.779 -4.999 44.725 1.00 14.75 O
+ATOM 459 CB SER A 84 33.745 -5.371 43.677 1.00 16.50 C
+ATOM 460 OG SER A 84 34.727 -6.228 43.079 1.00 0.00 O
+ATOM 461 N ILE A 85 32.224 -4.603 46.461 1.00 13.95 N
+ATOM 462 CA ILE A 85 31.356 -3.631 47.085 1.00 12.81 C
+ATOM 463 C ILE A 85 31.957 -2.267 46.861 1.00 12.93 C
+ATOM 464 O ILE A 85 33.097 -2.022 47.267 1.00 14.20 O
+ATOM 465 CB ILE A 85 31.040 -3.875 48.573 1.00 19.00 C
+ATOM 466 CG1 ILE A 85 30.436 -5.274 48.859 1.00 0.00 C
+ATOM 467 CG2 ILE A 85 30.222 -2.743 49.234 1.00 0.00 C
+ATOM 468 CD1 ILE A 85 29.118 -5.552 48.117 1.00 0.00 C
+ATOM 469 N ASP A 86 31.177 -1.405 46.213 1.00 14.65 N
+ATOM 470 CA ASP A 86 31.621 -0.052 45.931 1.00 13.32 C
+ATOM 471 C ASP A 86 31.134 0.867 47.047 1.00 13.89 C
+ATOM 472 O ASP A 86 29.987 1.328 47.040 1.00 12.18 O
+ATOM 473 CB ASP A 86 31.175 0.412 44.519 1.00 13.11 C
+ATOM 474 CG ASP A 86 31.692 1.800 44.169 1.00 0.00 C
+ATOM 475 OD1 ASP A 86 32.283 2.452 45.066 1.00 0.00 O
+ATOM 476 OD2 ASP A 86 31.499 2.217 43.002 1.00 0.00 O
+ATOM 477 N THR A 87 32.012 1.100 48.015 1.00 12.24 N
+ATOM 478 CA THR A 87 31.683 1.934 49.180 1.00 14.21 C
+ATOM 479 C THR A 87 32.912 2.576 49.803 1.00 14.67 C
+ATOM 480 O THR A 87 34.035 2.048 49.750 1.00 15.18 O
+ATOM 481 CB THR A 87 30.972 1.110 50.303 1.00 19.09 C
+ATOM 482 OG1 THR A 87 30.529 1.936 51.377 1.00 0.00 O
+ATOM 483 CG2 THR A 87 31.785 -0.040 50.907 1.00 0.00 C
+ATOM 484 N MET A 88 32.642 3.713 50.434 1.00 13.97 N
+ATOM 485 CA MET A 88 33.625 4.492 51.162 1.00 20.12 C
+ATOM 486 C MET A 88 33.532 4.221 52.667 1.00 20.57 C
+ATOM 487 O MET A 88 34.361 4.713 53.407 1.00 21.22 O
+ATOM 488 CB MET A 88 33.255 5.963 51.014 1.00 25.39 C
+ATOM 489 CG MET A 88 33.321 6.535 49.579 1.00 0.00 C
+ATOM 490 SD MET A 88 32.778 8.275 49.568 1.00 0.00 S
+ATOM 491 CE MET A 88 34.189 9.016 50.448 1.00 0.00 C
+ATOM 492 N ARG A 89 32.526 3.449 53.094 1.00 16.95 N
+ATOM 493 CA ARG A 89 32.292 3.117 54.499 1.00 18.25 C
+ATOM 494 C ARG A 89 32.668 1.701 54.914 1.00 21.34 C
+ATOM 495 O ARG A 89 32.146 0.706 54.393 1.00 18.57 O
+ATOM 496 CB ARG A 89 30.815 3.281 54.761 1.00 17.51 C
+ATOM 497 CG ARG A 89 30.349 3.000 56.210 1.00 0.00 C
+ATOM 498 CD ARG A 89 28.841 3.210 56.434 1.00 0.00 C
+ATOM 499 NE ARG A 89 28.559 2.878 57.873 1.00 0.00 N
+ATOM 500 CZ ARG A 89 27.328 2.911 58.402 1.00 0.00 C
+ATOM 501 NH1 ARG A 89 27.191 2.598 59.689 1.00 0.00 N
+ATOM 502 NH2 ARG A 89 26.259 3.243 57.685 1.00 0.00 N
+ATOM 503 N ALA A 90 33.567 1.615 55.896 1.00 24.02 N
+ATOM 504 CA ALA A 90 34.050 0.328 56.409 1.00 22.36 C
+ATOM 505 C ALA A 90 32.897 -0.534 56.880 1.00 21.94 C
+ATOM 506 O ALA A 90 32.899 -1.747 56.714 1.00 24.61 O
+ATOM 507 CB ALA A 90 35.098 0.490 57.517 1.00 19.96 C
+ATOM 508 N ASP A 91 31.907 0.110 57.482 1.00 18.18 N
+ATOM 509 CA ASP A 91 30.754 -0.605 57.972 1.00 18.11 C
+ATOM 510 C ASP A 91 29.949 -1.245 56.857 1.00 22.90 C
+ATOM 511 O ASP A 91 29.435 -2.370 56.999 1.00 18.07 O
+ATOM 512 CB ASP A 91 29.859 0.318 58.829 1.00 25.29 C
+ATOM 513 CG ASP A 91 30.485 0.655 60.174 1.00 0.00 C
+ATOM 514 OD1 ASP A 91 31.436 -0.061 60.578 1.00 0.00 O
+ATOM 515 OD2 ASP A 91 30.017 1.631 60.807 1.00 0.00 O
+ATOM 516 N VAL A 92 29.801 -0.536 55.733 1.00 21.72 N
+ATOM 517 CA VAL A 92 29.018 -1.147 54.664 1.00 16.03 C
+ATOM 518 C VAL A 92 29.837 -2.257 54.059 1.00 12.79 C
+ATOM 519 O VAL A 92 29.345 -3.315 53.717 1.00 15.69 O
+ATOM 520 CB VAL A 92 28.594 -0.128 53.614 1.00 23.81 C
+ATOM 521 CG1 VAL A 92 27.904 -0.749 52.380 1.00 0.00 C
+ATOM 522 CG2 VAL A 92 27.673 0.961 54.199 1.00 0.00 C
+ATOM 523 N ALA A 93 31.136 -2.001 53.976 1.00 15.16 N
+ATOM 524 CA ALA A 93 32.028 -2.992 53.428 1.00 16.38 C
+ATOM 525 C ALA A 93 31.999 -4.261 54.245 1.00 24.84 C
+ATOM 526 O ALA A 93 31.932 -5.396 53.729 1.00 20.31 O
+ATOM 527 CB ALA A 93 33.441 -2.437 53.341 1.00 16.88 C
+ATOM 528 N ARG A 94 32.088 -4.069 55.562 1.00 21.55 N
+ATOM 529 CA ARG A 94 32.093 -5.236 56.423 1.00 13.69 C
+ATOM 530 C ARG A 94 30.820 -6.025 56.230 1.00 13.48 C
+ATOM 531 O ARG A 94 30.862 -7.246 56.085 1.00 19.16 O
+ATOM 532 CB ARG A 94 32.324 -4.905 57.881 1.00 17.43 C
+ATOM 533 CG ARG A 94 32.442 -6.114 58.839 1.00 0.00 C
+ATOM 534 CD ARG A 94 32.671 -5.727 60.311 1.00 0.00 C
+ATOM 535 NE ARG A 94 33.990 -5.010 60.379 1.00 0.00 N
+ATOM 536 CZ ARG A 94 35.167 -5.650 60.432 1.00 0.00 C
+ATOM 537 NH1 ARG A 94 36.276 -4.916 60.491 1.00 0.00 N
+ATOM 538 NH2 ARG A 94 35.252 -6.976 60.427 1.00 0.00 N
+ATOM 539 N ALA A 95 29.692 -5.309 56.195 1.00 16.63 N
+ATOM 540 CA ALA A 95 28.429 -5.983 55.981 1.00 14.44 C
+ATOM 541 C ALA A 95 28.480 -6.720 54.659 1.00 19.07 C
+ATOM 542 O ALA A 95 28.033 -7.873 54.551 1.00 17.69 O
+ATOM 543 CB ALA A 95 27.236 -5.049 55.981 1.00 14.23 C
+ATOM 544 N ALA A 96 29.048 -6.050 53.651 1.00 18.04 N
+ATOM 545 CA ALA A 96 29.118 -6.700 52.327 1.00 18.71 C
+ATOM 546 C ALA A 96 29.913 -7.988 52.377 1.00 13.63 C
+ATOM 547 O ALA A 96 29.530 -9.037 51.852 1.00 17.36 O
+ATOM 548 CB ALA A 96 29.554 -5.790 51.184 1.00 15.15 C
+ATOM 549 N LEU A 97 31.029 -7.891 53.033 1.00 12.34 N
+ATOM 550 CA LEU A 97 31.866 -9.059 53.165 1.00 16.37 C
+ATOM 551 C LEU A 97 31.168 -10.196 53.922 1.00 27.70 C
+ATOM 552 O LEU A 97 31.234 -11.376 53.529 1.00 22.85 O
+ATOM 553 CB LEU A 97 33.227 -8.725 53.772 1.00 16.69 C
+ATOM 554 CG LEU A 97 34.208 -7.896 52.910 1.00 0.00 C
+ATOM 555 CD1 LEU A 97 35.439 -7.492 53.736 1.00 0.00 C
+ATOM 556 CD2 LEU A 97 34.714 -8.669 51.683 1.00 0.00 C
+ATOM 557 N GLN A 98 30.484 -9.841 55.005 1.00 19.42 N
+ATOM 558 CA GLN A 98 29.794 -10.854 55.769 1.00 22.88 C
+ATOM 559 C GLN A 98 28.804 -11.564 54.871 1.00 26.34 C
+ATOM 560 O GLN A 98 28.417 -12.702 55.088 1.00 23.01 O
+ATOM 561 CB GLN A 98 29.050 -10.225 56.973 1.00 23.18 C
+ATOM 562 CG GLN A 98 29.958 -9.668 58.104 1.00 0.00 C
+ATOM 563 CD GLN A 98 29.154 -9.013 59.232 1.00 0.00 C
+ATOM 564 OE1 GLN A 98 28.036 -8.543 59.034 1.00 0.00 O
+ATOM 565 NE2 GLN A 98 29.734 -8.977 60.454 1.00 0.00 N
+ATOM 566 N ASN A 99 28.367 -10.868 53.844 1.00 19.91 N
+ATOM 567 CA ASN A 99 27.381 -11.429 52.967 1.00 15.00 C
+ATOM 568 C ASN A 99 27.908 -11.984 51.669 1.00 17.15 C
+ATOM 569 O ASN A 99 27.112 -12.206 50.770 1.00 21.51 O
+ATOM 570 CB ASN A 99 26.219 -10.469 52.708 1.00 17.58 C
+ATOM 571 CG ASN A 99 25.329 -10.212 53.928 1.00 0.00 C
+ATOM 572 OD1 ASN A 99 24.751 -11.119 54.530 1.00 0.00 O
+ATOM 573 ND2 ASN A 99 25.209 -8.923 54.318 1.00 0.00 N
+ATOM 574 N GLY A 100 29.197 -12.264 51.552 1.00 18.99 N
+ATOM 575 CA GLY A 100 29.646 -12.898 50.314 1.00 20.67 C
+ATOM 576 C GLY A 100 30.498 -12.090 49.336 1.00 20.08 C
+ATOM 577 O GLY A 100 30.995 -12.634 48.346 1.00 15.22 O
+ATOM 578 N ALA A 101 30.673 -10.804 49.592 1.00 14.03 N
+ATOM 579 CA ALA A 101 31.496 -9.992 48.697 1.00 12.73 C
+ATOM 580 C ALA A 101 32.943 -10.429 48.804 1.00 23.77 C
+ATOM 581 O ALA A 101 33.373 -10.954 49.852 1.00 17.35 O
+ATOM 582 CB ALA A 101 31.322 -8.500 48.962 1.00 11.89 C
+ATOM 583 N GLN A 102 33.686 -10.254 47.705 1.00 15.99 N
+ATOM 584 CA GLN A 102 35.069 -10.677 47.684 1.00 14.01 C
+ATOM 585 C GLN A 102 36.081 -9.587 47.366 1.00 17.63 C
+ATOM 586 O GLN A 102 37.252 -9.852 47.148 1.00 16.59 O
+ATOM 587 CB GLN A 102 35.239 -11.813 46.674 1.00 16.47 C
+ATOM 588 CG GLN A 102 34.464 -13.119 46.999 1.00 0.00 C
+ATOM 589 CD GLN A 102 34.668 -14.203 45.936 1.00 0.00 C
+ATOM 590 OE1 GLN A 102 34.439 -13.988 44.747 1.00 0.00 O
+ATOM 591 NE2 GLN A 102 35.113 -15.406 46.366 1.00 0.00 N
+ATOM 592 N MET A 103 35.630 -8.353 47.320 1.00 13.50 N
+ATOM 593 CA MET A 103 36.518 -7.265 47.014 1.00 11.06 C
+ATOM 594 C MET A 103 35.887 -5.987 47.503 1.00 13.52 C
+ATOM 595 O MET A 103 34.657 -5.866 47.535 1.00 10.33 O
+ATOM 596 CB MET A 103 36.723 -7.186 45.481 1.00 12.07 C
+ATOM 597 CG MET A 103 37.687 -6.084 44.984 1.00 0.00 C
+ATOM 598 SD MET A 103 37.832 -6.144 43.169 1.00 0.00 S
+ATOM 599 CE MET A 103 38.795 -7.682 43.013 1.00 0.00 C
+ATOM 600 N VAL A 104 36.742 -5.049 47.882 1.00 12.37 N
+ATOM 601 CA VAL A 104 36.246 -3.767 48.291 1.00 11.61 C
+ATOM 602 C VAL A 104 36.775 -2.731 47.303 1.00 10.40 C
+ATOM 603 O VAL A 104 37.983 -2.685 47.049 1.00 11.34 O
+ATOM 604 CB VAL A 104 36.569 -3.379 49.723 1.00 12.63 C
+ATOM 605 CG1 VAL A 104 36.065 -1.975 50.121 1.00 0.00 C
+ATOM 606 CG2 VAL A 104 36.027 -4.403 50.739 1.00 0.00 C
+ATOM 607 N ASN A 105 35.839 -1.932 46.756 1.00 12.65 N
+ATOM 608 CA ASN A 105 36.151 -0.879 45.804 1.00 9.90 C
+ATOM 609 C ASN A 105 35.965 0.453 46.500 1.00 10.15 C
+ATOM 610 O ASN A 105 34.842 0.899 46.730 1.00 12.79 O
+ATOM 611 CB ASN A 105 35.244 -1.007 44.562 1.00 13.47 C
+ATOM 612 CG ASN A 105 35.547 0.005 43.453 1.00 0.00 C
+ATOM 613 OD1 ASN A 105 35.962 1.142 43.688 1.00 0.00 O
+ATOM 614 ND2 ASN A 105 35.334 -0.417 42.186 1.00 0.00 N
+ATOM 615 N ASP A 106 37.054 1.093 46.878 1.00 9.57 N
+ATOM 616 CA ASP A 106 36.886 2.321 47.640 1.00 16.53 C
+ATOM 617 C ASP A 106 37.241 3.594 46.904 1.00 10.94 C
+ATOM 618 O ASP A 106 38.423 3.865 46.668 1.00 12.25 O
+ATOM 619 CB ASP A 106 37.738 2.252 48.923 1.00 19.78 C
+ATOM 620 CG ASP A 106 37.563 3.478 49.808 1.00 0.00 C
+ATOM 621 OD1 ASP A 106 36.882 4.435 49.362 1.00 0.00 O
+ATOM 622 OD2 ASP A 106 38.109 3.464 50.937 1.00 0.00 O
+ATOM 623 N VAL A 107 36.217 4.381 46.600 1.00 12.49 N
+ATOM 624 CA VAL A 107 36.499 5.598 45.851 1.00 16.97 C
+ATOM 625 C VAL A 107 37.365 6.607 46.591 1.00 22.26 C
+ATOM 626 O VAL A 107 37.959 7.499 45.986 1.00 19.06 O
+ATOM 627 CB VAL A 107 35.279 6.205 45.151 1.00 20.13 C
+ATOM 628 CG1 VAL A 107 34.275 6.878 46.112 1.00 0.00 C
+ATOM 629 CG2 VAL A 107 35.678 7.222 44.064 1.00 0.00 C
+ATOM 630 N SER A 108 37.427 6.462 47.919 1.00 18.37 N
+ATOM 631 CA SER A 108 38.215 7.366 48.712 1.00 15.51 C
+ATOM 632 C SER A 108 39.647 6.855 48.863 1.00 24.60 C
+ATOM 633 O SER A 108 40.488 7.530 49.446 1.00 23.26 O
+ATOM 634 CB SER A 108 37.569 7.583 50.077 1.00 13.48 C
+ATOM 635 OG SER A 108 37.565 6.392 50.877 1.00 0.00 O
+ATOM 636 N GLY A 109 39.957 5.663 48.358 1.00 17.79 N
+ATOM 637 CA GLY A 109 41.313 5.151 48.501 1.00 16.60 C
+ATOM 638 C GLY A 109 41.711 4.919 49.976 1.00 28.95 C
+ATOM 639 O GLY A 109 42.896 4.885 50.361 1.00 21.39 O
+ATOM 640 N GLY A 110 40.702 4.758 50.832 1.00 25.89 N
+ATOM 641 CA GLY A 110 40.940 4.513 52.250 1.00 25.16 C
+ATOM 642 C GLY A 110 40.889 5.763 53.134 1.00 30.77 C
+ATOM 643 O GLY A 110 40.875 5.646 54.370 1.00 28.57 O
+ATOM 644 N ARG A 111 40.829 6.933 52.474 1.00 20.74 N
+ATOM 645 CA ARG A 111 40.819 8.233 53.106 1.00 19.48 C
+ATOM 646 C ARG A 111 39.525 8.650 53.746 1.00 31.95 C
+ATOM 647 O ARG A 111 39.525 9.559 54.572 1.00 41.42 O
+ATOM 648 CB ARG A 111 41.319 9.339 52.199 1.00 19.72 C
+ATOM 649 CG ARG A 111 42.825 9.297 51.847 1.00 0.00 C
+ATOM 650 CD ARG A 111 43.278 10.420 50.898 1.00 0.00 C
+ATOM 651 NE ARG A 111 44.751 10.232 50.661 1.00 0.00 N
+ATOM 652 CZ ARG A 111 45.454 10.981 49.802 1.00 0.00 C
+ATOM 653 NH1 ARG A 111 46.754 10.729 49.669 1.00 0.00 N
+ATOM 654 NH2 ARG A 111 44.895 11.955 49.090 1.00 0.00 N
+ATOM 655 N ALA A 112 38.415 8.021 53.390 1.00 23.14 N
+ATOM 656 CA ALA A 112 37.203 8.475 54.038 1.00 22.60 C
+ATOM 657 C ALA A 112 37.009 7.788 55.373 1.00 28.80 C
+ATOM 658 O ALA A 112 36.434 8.364 56.295 1.00 21.29 O
+ATOM 659 CB ALA A 112 35.974 8.318 53.153 1.00 21.38 C
+ATOM 660 N ASP A 113 37.488 6.535 55.445 1.00 21.70 N
+ATOM 661 CA ASP A 113 37.278 5.727 56.627 1.00 21.97 C
+ATOM 662 C ASP A 113 38.506 5.018 57.182 1.00 25.19 C
+ATOM 663 O ASP A 113 39.045 4.043 56.642 1.00 23.76 O
+ATOM 664 CB ASP A 113 36.067 4.796 56.425 1.00 17.40 C
+ATOM 665 CG ASP A 113 35.748 3.974 57.665 1.00 0.00 C
+ATOM 666 OD1 ASP A 113 36.546 4.034 58.634 1.00 0.00 O
+ATOM 667 OD2 ASP A 113 34.703 3.281 57.652 1.00 0.00 O
+ATOM 668 N PRO A 114 38.938 5.563 58.313 1.00 31.68 N
+ATOM 669 CA PRO A 114 40.096 5.038 58.992 1.00 32.70 C
+ATOM 670 C PRO A 114 39.897 3.581 59.344 1.00 27.88 C
+ATOM 671 O PRO A 114 40.886 2.894 59.523 1.00 32.37 O
+ATOM 672 CB PRO A 114 40.265 5.848 60.292 1.00 36.61 C
+ATOM 673 CG PRO A 114 39.588 7.190 59.995 1.00 0.00 C
+ATOM 674 CD PRO A 114 38.400 6.795 59.112 1.00 0.00 C
+ATOM 675 N ALA A 115 38.648 3.104 59.465 1.00 22.87 N
+ATOM 676 CA ALA A 115 38.458 1.694 59.813 1.00 17.39 C
+ATOM 677 C ALA A 115 38.638 0.796 58.602 1.00 27.82 C
+ATOM 678 O ALA A 115 38.830 -0.408 58.766 1.00 25.54 O
+ATOM 679 CB ALA A 115 37.079 1.442 60.377 1.00 16.41 C
+ATOM 680 N MET A 116 38.561 1.391 57.393 1.00 19.14 N
+ATOM 681 CA MET A 116 38.694 0.619 56.154 1.00 15.45 C
+ATOM 682 C MET A 116 39.977 -0.217 56.036 1.00 15.57 C
+ATOM 683 O MET A 116 39.944 -1.414 55.758 1.00 15.42 O
+ATOM 684 CB MET A 116 38.498 1.507 54.888 1.00 19.71 C
+ATOM 685 CG MET A 116 38.522 0.765 53.532 1.00 0.00 C
+ATOM 686 SD MET A 116 37.100 -0.367 53.406 1.00 0.00 S
+ATOM 687 CE MET A 116 35.788 0.859 53.108 1.00 0.00 C
+ATOM 688 N GLY A 117 41.151 0.401 56.194 1.00 14.69 N
+ATOM 689 CA GLY A 117 42.373 -0.390 56.067 1.00 15.66 C
+ATOM 690 C GLY A 117 42.417 -1.631 56.983 1.00 22.67 C
+ATOM 691 O GLY A 117 42.715 -2.748 56.554 1.00 18.15 O
+ATOM 692 N PRO A 118 42.125 -1.432 58.271 1.00 21.62 N
+ATOM 693 CA PRO A 118 42.131 -2.521 59.235 1.00 18.28 C
+ATOM 694 C PRO A 118 41.140 -3.599 58.840 1.00 16.55 C
+ATOM 695 O PRO A 118 41.373 -4.784 59.005 1.00 18.26 O
+ATOM 696 CB PRO A 118 41.705 -1.891 60.564 1.00 24.81 C
+ATOM 697 CG PRO A 118 42.131 -0.424 60.444 1.00 0.00 C
+ATOM 698 CD PRO A 118 41.851 -0.098 58.974 1.00 0.00 C
+ATOM 699 N LEU A 119 40.011 -3.188 58.295 1.00 17.01 N
+ATOM 700 CA LEU A 119 39.043 -4.160 57.846 1.00 15.22 C
+ATOM 701 C LEU A 119 39.640 -5.021 56.728 1.00 16.50 C
+ATOM 702 O LEU A 119 39.530 -6.259 56.714 1.00 17.55 O
+ATOM 703 CB LEU A 119 37.767 -3.442 57.383 1.00 13.85 C
+ATOM 704 CG LEU A 119 36.606 -4.319 56.856 1.00 0.00 C
+ATOM 705 CD1 LEU A 119 36.124 -5.285 57.948 1.00 0.00 C
+ATOM 706 CD2 LEU A 119 35.394 -3.487 56.412 1.00 0.00 C
+ATOM 707 N LEU A 120 40.312 -4.355 55.779 1.00 16.08 N
+ATOM 708 CA LEU A 120 40.910 -5.058 54.643 1.00 15.84 C
+ATOM 709 C LEU A 120 42.062 -5.955 55.077 1.00 21.17 C
+ATOM 710 O LEU A 120 42.338 -6.991 54.468 1.00 17.31 O
+ATOM 711 CB LEU A 120 41.276 -4.140 53.440 1.00 13.28 C
+ATOM 712 CG LEU A 120 40.185 -3.896 52.371 1.00 0.00 C
+ATOM 713 CD1 LEU A 120 39.809 -5.213 51.676 1.00 0.00 C
+ATOM 714 CD2 LEU A 120 38.896 -3.308 52.967 1.00 0.00 C
+ATOM 715 N ALA A 121 42.736 -5.516 56.132 1.00 20.12 N
+ATOM 716 CA ALA A 121 43.833 -6.295 56.680 1.00 22.51 C
+ATOM 717 C ALA A 121 43.202 -7.519 57.352 1.00 21.70 C
+ATOM 718 O ALA A 121 43.713 -8.628 57.301 1.00 20.97 O
+ATOM 719 CB ALA A 121 44.680 -5.485 57.659 1.00 20.86 C
+ATOM 720 N GLU A 122 42.033 -7.336 57.945 1.00 15.44 N
+ATOM 721 CA GLU A 122 41.382 -8.450 58.580 1.00 16.12 C
+ATOM 722 C GLU A 122 40.867 -9.445 57.584 1.00 24.63 C
+ATOM 723 O GLU A 122 41.017 -10.657 57.727 1.00 21.44 O
+ATOM 724 CB GLU A 122 40.199 -7.961 59.425 1.00 22.55 C
+ATOM 725 CG GLU A 122 40.570 -7.149 60.699 1.00 0.00 C
+ATOM 726 CD GLU A 122 39.390 -6.596 61.502 1.00 0.00 C
+ATOM 727 OE1 GLU A 122 38.395 -6.248 60.814 1.00 0.00 O
+ATOM 728 OE2 GLU A 122 39.462 -6.518 62.751 1.00 0.00 O
+ATOM 729 N ALA A 123 40.203 -8.900 56.567 1.00 26.80 N
+ATOM 730 CA ALA A 123 39.585 -9.728 55.534 1.00 18.67 C
+ATOM 731 C ALA A 123 40.510 -10.354 54.502 1.00 13.67 C
+ATOM 732 O ALA A 123 40.194 -11.409 53.969 1.00 18.99 O
+ATOM 733 CB ALA A 123 38.429 -8.989 54.879 1.00 18.13 C
+ATOM 734 N ASP A 124 41.634 -9.725 54.187 1.00 15.64 N
+ATOM 735 CA ASP A 124 42.555 -10.239 53.181 1.00 14.75 C
+ATOM 736 C ASP A 124 41.919 -10.490 51.809 1.00 21.74 C
+ATOM 737 O ASP A 124 42.088 -11.517 51.160 1.00 21.07 O
+ATOM 738 CB ASP A 124 43.460 -11.371 53.681 1.00 19.60 C
+ATOM 739 CG ASP A 124 44.653 -11.613 52.767 1.00 0.00 C
+ATOM 740 OD1 ASP A 124 45.042 -10.663 52.042 1.00 0.00 O
+ATOM 741 OD2 ASP A 124 45.182 -12.749 52.789 1.00 0.00 O
+ATOM 742 N VAL A 125 41.146 -9.517 51.336 1.00 20.34 N
+ATOM 743 CA VAL A 125 40.503 -9.618 50.023 1.00 16.52 C
+ATOM 744 C VAL A 125 41.029 -8.422 49.238 1.00 20.88 C
+ATOM 745 O VAL A 125 41.555 -7.485 49.835 1.00 17.81 O
+ATOM 746 CB VAL A 125 38.955 -9.527 50.086 1.00 16.88 C
+ATOM 747 CG1 VAL A 125 38.294 -10.644 50.922 1.00 0.00 C
+ATOM 748 CG2 VAL A 125 38.474 -8.163 50.619 1.00 0.00 C
+ATOM 749 N PRO A 126 40.863 -8.403 47.921 1.00 17.23 N
+ATOM 750 CA PRO A 126 41.340 -7.264 47.127 1.00 13.75 C
+ATOM 751 C PRO A 126 40.682 -5.945 47.509 1.00 11.24 C
+ATOM 752 O PRO A 126 39.485 -5.876 47.802 1.00 14.28 O
+ATOM 753 CB PRO A 126 40.999 -7.609 45.658 1.00 13.42 C
+ATOM 754 CG PRO A 126 40.904 -9.138 45.638 1.00 0.00 C
+ATOM 755 CD PRO A 126 40.296 -9.469 47.005 1.00 0.00 C
+ATOM 756 N TRP A 127 41.481 -4.898 47.448 1.00 13.56 N
+ATOM 757 CA TRP A 127 41.030 -3.581 47.780 1.00 12.94 C
+ATOM 758 C TRP A 127 41.359 -2.610 46.650 1.00 15.42 C
+ATOM 759 O TRP A 127 42.519 -2.423 46.310 1.00 12.49 O
+ATOM 760 CB TRP A 127 41.773 -3.130 49.065 1.00 10.31 C
+ATOM 761 CG TRP A 127 41.383 -1.754 49.589 1.00 0.00 C
+ATOM 762 CD1 TRP A 127 40.509 -0.844 49.060 1.00 0.00 C
+ATOM 763 CD2 TRP A 127 41.913 -1.173 50.796 1.00 0.00 C
+ATOM 764 CE2 TRP A 127 41.309 0.097 50.932 1.00 0.00 C
+ATOM 765 NE1 TRP A 127 40.460 0.277 49.867 1.00 0.00 N
+ATOM 766 CE3 TRP A 127 42.835 -1.634 51.744 1.00 0.00 C
+ATOM 767 CZ3 TRP A 127 43.141 -0.802 52.830 1.00 0.00 C
+ATOM 768 CH2 TRP A 127 42.541 0.458 52.964 1.00 0.00 C
+ATOM 769 CZ2 TRP A 127 41.617 0.920 52.014 1.00 0.00 C
+ATOM 770 N VAL A 128 40.355 -1.962 46.079 1.00 9.06 N
+ATOM 771 CA VAL A 128 40.665 -0.998 45.042 1.00 8.83 C
+ATOM 772 C VAL A 128 40.815 0.366 45.702 1.00 14.97 C
+ATOM 773 O VAL A 128 39.866 0.850 46.336 1.00 18.38 O
+ATOM 774 CB VAL A 128 39.560 -0.853 43.971 1.00 15.19 C
+ATOM 775 CG1 VAL A 128 39.864 0.213 42.896 1.00 0.00 C
+ATOM 776 CG2 VAL A 128 39.254 -2.189 43.267 1.00 0.00 C
+ATOM 777 N LEU A 129 41.994 0.980 45.518 1.00 12.43 N
+ATOM 778 CA LEU A 129 42.322 2.322 46.031 1.00 13.45 C
+ATOM 779 C LEU A 129 42.152 3.291 44.869 1.00 15.66 C
+ATOM 780 O LEU A 129 43.019 3.393 43.978 1.00 17.01 O
+ATOM 781 CB LEU A 129 43.793 2.440 46.548 1.00 12.47 C
+ATOM 782 CG LEU A 129 44.228 1.485 47.685 1.00 0.00 C
+ATOM 783 CD1 LEU A 129 45.717 1.681 48.011 1.00 0.00 C
+ATOM 784 CD2 LEU A 129 43.441 1.717 48.983 1.00 0.00 C
+ATOM 785 N MET A 130 41.032 3.973 44.855 1.00 10.97 N
+ATOM 786 CA MET A 130 40.813 4.883 43.759 1.00 11.33 C
+ATOM 787 C MET A 130 41.375 6.231 44.089 1.00 14.96 C
+ATOM 788 O MET A 130 41.255 6.634 45.238 1.00 15.79 O
+ATOM 789 CB MET A 130 39.303 5.033 43.413 1.00 11.33 C
+ATOM 790 CG MET A 130 38.608 3.768 42.859 1.00 0.00 C
+ATOM 791 SD MET A 130 36.847 4.106 42.537 1.00 0.00 S
+ATOM 792 CE MET A 130 37.028 5.193 41.088 1.00 0.00 C
+ATOM 793 N HIS A 131 41.932 6.924 43.092 1.00 11.19 N
+ATOM 794 CA HIS A 131 42.486 8.244 43.325 1.00 14.54 C
+ATOM 795 C HIS A 131 41.443 9.331 43.303 1.00 18.03 C
+ATOM 796 O HIS A 131 40.706 9.491 42.331 1.00 12.51 O
+ATOM 797 CB HIS A 131 43.573 8.626 42.312 1.00 13.67 C
+ATOM 798 CG HIS A 131 44.255 9.934 42.608 1.00 0.00 C
+ATOM 799 ND1 HIS A 131 43.711 11.169 42.329 1.00 0.00 N
+ATOM 800 CD2 HIS A 131 45.468 10.170 43.175 1.00 0.00 C
+ATOM 801 CE1 HIS A 131 44.609 12.099 42.735 1.00 0.00 C
+ATOM 802 NE2 HIS A 131 45.695 11.530 43.256 1.00 0.00 N
+ATOM 803 N TRP A 132 41.398 10.108 44.375 1.00 12.34 N
+ATOM 804 CA TRP A 132 40.446 11.192 44.432 1.00 13.59 C
+ATOM 805 C TRP A 132 40.972 12.168 45.473 1.00 22.15 C
+ATOM 806 O TRP A 132 40.703 12.018 46.665 1.00 25.86 O
+ATOM 807 CB TRP A 132 39.041 10.691 44.867 1.00 14.49 C
+ATOM 808 CG TRP A 132 37.929 11.729 44.782 1.00 0.00 C
+ATOM 809 CD1 TRP A 132 38.004 13.049 44.431 1.00 0.00 C
+ATOM 810 CD2 TRP A 132 36.546 11.452 45.078 1.00 0.00 C
+ATOM 811 CE2 TRP A 132 35.841 12.660 44.882 1.00 0.00 C
+ATOM 812 NE1 TRP A 132 36.746 13.618 44.489 1.00 0.00 N
+ATOM 813 CE3 TRP A 132 35.879 10.289 45.485 1.00 0.00 C
+ATOM 814 CZ3 TRP A 132 34.494 10.360 45.692 1.00 0.00 C
+ATOM 815 CH2 TRP A 132 33.796 11.560 45.498 1.00 0.00 C
+ATOM 816 CZ2 TRP A 132 34.464 12.724 45.090 1.00 0.00 C
+ATOM 817 N ARG A 133 41.691 13.135 44.937 0.50 19.22 N
+ATOM 818 CA ARG A 133 42.274 14.181 45.740 0.50 24.73 C
+ATOM 819 C ARG A 133 41.532 15.491 45.558 0.50 30.73 C
+ATOM 820 O ARG A 133 41.655 16.168 44.546 0.50 39.62 O
+ATOM 821 CB ARG A 133 43.770 14.363 45.460 0.50 20.78 C
+ATOM 822 CG ARG A 133 44.509 15.381 46.362 1.00 0.00 C
+ATOM 823 CD ARG A 133 46.027 15.444 46.121 1.00 0.00 C
+ATOM 824 NE ARG A 133 46.233 16.009 44.743 1.00 0.00 N
+ATOM 825 CZ ARG A 133 47.433 16.070 44.150 1.00 0.00 C
+ATOM 826 NH1 ARG A 133 47.501 16.591 42.927 1.00 0.00 N
+ATOM 827 NH2 ARG A 133 48.538 15.631 44.744 1.00 0.00 N
+ATOM 828 N ALA A 134 40.721 15.846 46.528 1.00 19.36 N
+ATOM 829 CA ALA A 134 40.067 17.122 46.439 1.00 25.53 C
+ATOM 830 C ALA A 134 40.841 18.230 47.142 1.00 24.36 C
+ATOM 831 O ALA A 134 41.598 17.995 48.075 1.00 24.55 O
+ATOM 832 CB ALA A 134 38.670 17.000 47.037 1.00 32.01 C
+ATOM 833 N VAL A 135 40.619 19.454 46.703 1.00 22.63 N
+ATOM 834 CA VAL A 135 41.264 20.565 47.340 1.00 28.43 C
+ATOM 835 C VAL A 135 40.753 20.621 48.764 1.00 35.81 C
+ATOM 836 O VAL A 135 41.466 20.886 49.726 1.00 41.49 O
+ATOM 837 CB VAL A 135 40.836 21.850 46.688 1.00 42.04 C
+ATOM 838 CG1 VAL A 135 41.323 23.118 47.422 1.00 0.00 C
+ATOM 839 CG2 VAL A 135 41.282 21.931 45.215 1.00 0.00 C
+ATOM 840 N SER A 136 39.456 20.374 48.879 1.00 29.18 N
+ATOM 841 CA SER A 136 38.802 20.380 50.167 1.00 35.08 C
+ATOM 842 C SER A 136 37.657 19.386 50.253 1.00 42.26 C
+ATOM 843 O SER A 136 37.129 18.870 49.271 1.00 38.25 O
+ATOM 844 CB SER A 136 38.393 21.773 50.640 1.00 39.75 C
+ATOM 845 OG SER A 136 37.378 22.357 49.811 1.00 0.00 O
+ATOM 846 N ALA A 137 37.266 19.124 51.486 1.00 46.23 N
+ATOM 847 CA ALA A 137 36.186 18.208 51.773 1.00 46.10 C
+ATOM 848 C ALA A 137 34.831 18.720 51.260 1.00 39.56 C
+ATOM 849 O ALA A 137 33.990 17.937 50.790 1.00 33.82 O
+ATOM 850 CB ALA A 137 36.151 17.946 53.278 1.00 48.03 C
+ATOM 851 N ASP A 138 34.619 20.048 51.360 1.00 30.50 N
+ATOM 852 CA ASP A 138 33.360 20.636 50.913 1.00 34.84 C
+ATOM 853 C ASP A 138 33.289 20.883 49.397 1.00 39.03 C
+ATOM 854 O ASP A 138 32.258 21.316 48.884 1.00 37.96 O
+ATOM 855 CB ASP A 138 32.991 21.884 51.734 1.00 33.58 C
+ATOM 856 CG ASP A 138 33.989 23.018 51.554 1.00 0.00 C
+ATOM 857 OD1 ASP A 138 34.942 22.844 50.754 1.00 0.00 O
+ATOM 858 OD2 ASP A 138 33.806 24.067 52.217 1.00 0.00 O
+ATOM 859 N THR A 139 34.390 20.583 48.695 1.00 33.47 N
+ATOM 860 CA THR A 139 34.501 20.769 47.252 1.00 33.42 C
+ATOM 861 C THR A 139 35.059 19.535 46.539 1.00 26.63 C
+ATOM 862 O THR A 139 35.941 19.645 45.679 1.00 28.86 O
+ATOM 863 CB THR A 139 35.402 21.992 46.934 1.00 39.48 C
+ATOM 864 OG1 THR A 139 36.699 21.869 47.511 1.00 0.00 O
+ATOM 865 CG2 THR A 139 34.842 23.360 47.339 1.00 0.00 C
+ATOM 866 N PRO A 140 34.575 18.351 46.905 1.00 24.23 N
+ATOM 867 CA PRO A 140 35.055 17.096 46.321 1.00 23.23 C
+ATOM 868 C PRO A 140 35.018 17.047 44.787 1.00 26.90 C
+ATOM 869 O PRO A 140 35.793 16.325 44.157 1.00 24.83 O
+ATOM 870 CB PRO A 140 34.089 16.026 46.829 1.00 27.29 C
+ATOM 871 CG PRO A 140 32.821 16.803 47.199 1.00 0.00 C
+ATOM 872 CD PRO A 140 33.367 18.135 47.722 1.00 0.00 C
+ATOM 873 N HIS A 141 34.110 17.803 44.160 1.00 26.15 N
+ATOM 874 CA HIS A 141 33.992 17.767 42.702 1.00 23.00 C
+ATOM 875 C HIS A 141 34.634 18.909 41.910 1.00 22.02 C
+ATOM 876 O HIS A 141 34.646 18.946 40.666 1.00 18.86 O
+ATOM 877 CB HIS A 141 32.535 17.525 42.299 1.00 28.08 C
+ATOM 878 CG HIS A 141 31.997 16.185 42.720 1.00 0.00 C
+ATOM 879 ND1 HIS A 141 32.350 14.990 42.130 1.00 0.00 N
+ATOM 880 CD2 HIS A 141 31.109 15.877 43.703 1.00 0.00 C
+ATOM 881 CE1 HIS A 141 31.668 14.013 42.773 1.00 0.00 C
+ATOM 882 NE2 HIS A 141 30.899 14.512 43.740 1.00 0.00 N
+ATOM 883 N VAL A 142 35.191 19.854 42.618 1.00 15.43 N
+ATOM 884 CA VAL A 142 35.836 20.946 41.932 1.00 15.69 C
+ATOM 885 C VAL A 142 37.113 20.380 41.383 1.00 19.00 C
+ATOM 886 O VAL A 142 37.869 19.777 42.134 1.00 17.14 O
+ATOM 887 CB VAL A 142 36.145 22.054 42.928 1.00 21.98 C
+ATOM 888 CG1 VAL A 142 36.932 23.238 42.325 1.00 0.00 C
+ATOM 889 CG2 VAL A 142 34.872 22.601 43.603 1.00 0.00 C
+ATOM 890 N PRO A 143 37.379 20.521 40.103 1.00 17.51 N
+ATOM 891 CA PRO A 143 38.598 19.891 39.617 1.00 15.23 C
+ATOM 892 C PRO A 143 39.853 20.500 40.205 1.00 21.13 C
+ATOM 893 O PRO A 143 39.980 21.720 40.322 1.00 17.85 O
+ATOM 894 CB PRO A 143 38.624 20.029 38.101 1.00 15.54 C
+ATOM 895 CG PRO A 143 37.158 20.250 37.714 1.00 0.00 C
+ATOM 896 CD PRO A 143 36.605 21.065 38.886 1.00 0.00 C
+ATOM 897 N VAL A 144 40.791 19.627 40.548 1.00 17.45 N
+ATOM 898 CA VAL A 144 42.048 20.089 41.096 1.00 18.23 C
+ATOM 899 C VAL A 144 42.931 20.652 39.993 1.00 19.81 C
+ATOM 900 O VAL A 144 43.058 20.070 38.933 1.00 17.70 O
+ATOM 901 CB VAL A 144 42.742 18.934 41.801 1.00 18.19 C
+ATOM 902 CG1 VAL A 144 44.155 19.275 42.321 1.00 0.00 C
+ATOM 903 CG2 VAL A 144 41.906 18.381 42.972 1.00 0.00 C
+ATOM 904 N ARG A 145 43.565 21.778 40.253 1.00 20.71 N
+ATOM 905 CA ARG A 145 44.459 22.380 39.286 1.00 30.07 C
+ATOM 906 C ARG A 145 45.844 21.719 39.388 1.00 35.85 C
+ATOM 907 O ARG A 145 46.722 22.086 40.176 1.00 46.66 O
+ATOM 908 CB ARG A 145 44.483 23.898 39.496 1.00 44.88 C
+ATOM 909 CG ARG A 145 43.153 24.641 39.221 1.00 0.00 C
+ATOM 910 CD ARG A 145 43.228 26.161 39.445 1.00 0.00 C
+ATOM 911 NE ARG A 145 41.864 26.718 39.149 1.00 0.00 N
+ATOM 912 CZ ARG A 145 41.573 28.024 39.235 1.00 0.00 C
+ATOM 913 NH1 ARG A 145 40.331 28.409 38.951 1.00 0.00 N
+ATOM 914 NH2 ARG A 145 42.480 28.928 39.592 1.00 0.00 N
+ATOM 915 N TYR A 146 46.042 20.679 38.601 1.00 18.52 N
+ATOM 916 CA TYR A 146 47.294 19.925 38.592 1.00 16.77 C
+ATOM 917 C TYR A 146 48.414 20.535 37.772 1.00 25.96 C
+ATOM 918 O TYR A 146 48.188 21.026 36.658 1.00 21.25 O
+ATOM 919 CB TYR A 146 47.073 18.528 37.962 1.00 16.33 C
+ATOM 920 CG TYR A 146 46.235 17.617 38.829 1.00 0.00 C
+ATOM 921 CD1 TYR A 146 44.875 17.522 38.618 1.00 0.00 C
+ATOM 922 CD2 TYR A 146 46.831 16.879 39.832 1.00 0.00 C
+ATOM 923 CE1 TYR A 146 44.099 16.678 39.421 1.00 0.00 C
+ATOM 924 CE2 TYR A 146 46.055 16.035 40.635 1.00 0.00 C
+ATOM 925 CZ TYR A 146 44.703 15.929 40.439 1.00 0.00 C
+ATOM 926 OH TYR A 146 43.927 15.085 41.242 1.00 0.00 O
+ATOM 927 N GLY A 147 49.643 20.426 38.297 1.00 21.17 N
+ATOM 928 CA GLY A 147 50.818 20.876 37.560 1.00 21.75 C
+ATOM 929 C GLY A 147 51.253 19.715 36.665 1.00 22.23 C
+ATOM 930 O GLY A 147 51.661 19.864 35.513 1.00 23.35 O
+ATOM 931 N ASN A 148 51.153 18.507 37.211 1.00 10.95 N
+ATOM 932 CA ASN A 148 51.504 17.312 36.463 1.00 12.63 C
+ATOM 933 C ASN A 148 50.654 16.205 37.030 1.00 14.05 C
+ATOM 934 O ASN A 148 51.033 15.514 37.973 1.00 12.02 O
+ATOM 935 CB ASN A 148 53.024 17.019 36.523 1.00 18.57 C
+ATOM 936 CG ASN A 148 53.477 15.856 35.634 1.00 0.00 C
+ATOM 937 OD1 ASN A 148 52.757 14.886 35.394 1.00 0.00 O
+ATOM 938 ND2 ASN A 148 54.725 15.950 35.121 1.00 0.00 N
+ATOM 939 N VAL A 149 49.449 16.107 36.474 1.00 14.53 N
+ATOM 940 CA VAL A 149 48.448 15.154 36.938 1.00 11.34 C
+ATOM 941 C VAL A 149 48.931 13.708 37.019 1.00 11.90 C
+ATOM 942 O VAL A 149 48.683 12.966 37.972 1.00 12.50 O
+ATOM 943 CB VAL A 149 47.099 15.356 36.235 1.00 11.30 C
+ATOM 944 CG1 VAL A 149 47.121 15.021 34.728 1.00 0.00 C
+ATOM 945 CG2 VAL A 149 45.968 14.549 36.903 1.00 0.00 C
+ATOM 946 N VAL A 150 49.666 13.290 35.995 1.00 13.74 N
+ATOM 947 CA VAL A 150 50.179 11.938 35.987 1.00 12.78 C
+ATOM 948 C VAL A 150 51.057 11.696 37.214 1.00 18.92 C
+ATOM 949 O VAL A 150 50.889 10.734 37.983 1.00 16.01 O
+ATOM 950 CB VAL A 150 50.956 11.668 34.699 1.00 17.78 C
+ATOM 951 CG1 VAL A 150 51.713 10.322 34.694 1.00 0.00 C
+ATOM 952 CG2 VAL A 150 50.053 11.730 33.451 1.00 0.00 C
+ATOM 953 N ALA A 151 52.039 12.575 37.359 1.00 13.52 N
+ATOM 954 CA ALA A 151 52.952 12.463 38.498 1.00 16.85 C
+ATOM 955 C ALA A 151 52.269 12.602 39.860 1.00 13.28 C
+ATOM 956 O ALA A 151 52.676 11.938 40.815 1.00 14.88 O
+ATOM 957 CB ALA A 151 54.050 13.522 38.414 1.00 21.61 C
+ATOM 958 N GLU A 152 51.296 13.507 39.953 1.00 12.95 N
+ATOM 959 CA GLU A 152 50.609 13.719 41.224 1.00 12.23 C
+ATOM 960 C GLU A 152 49.725 12.547 41.540 1.00 15.74 C
+ATOM 961 O GLU A 152 49.689 12.032 42.649 1.00 17.16 O
+ATOM 962 CB GLU A 152 49.874 15.062 41.291 1.00 14.73 C
+ATOM 963 CG GLU A 152 50.781 16.326 41.332 1.00 0.00 C
+ATOM 964 CD GLU A 152 51.686 16.454 42.560 1.00 0.00 C
+ATOM 965 OE1 GLU A 152 51.176 16.059 43.641 1.00 0.00 O
+ATOM 966 OE2 GLU A 152 52.842 16.925 42.441 1.00 0.00 O
+ATOM 967 N VAL A 153 49.025 12.083 40.528 1.00 10.85 N
+ATOM 968 CA VAL A 153 48.190 10.945 40.766 1.00 12.30 C
+ATOM 969 C VAL A 153 49.015 9.726 41.229 1.00 15.34 C
+ATOM 970 O VAL A 153 48.685 8.992 42.150 1.00 13.86 O
+ATOM 971 CB VAL A 153 47.371 10.654 39.506 1.00 13.80 C
+ATOM 972 CG1 VAL A 153 46.584 9.327 39.562 1.00 0.00 C
+ATOM 973 CG2 VAL A 153 46.390 11.795 39.174 1.00 0.00 C
+ATOM 974 N ARG A 154 50.125 9.485 40.556 1.00 14.45 N
+ATOM 975 CA ARG A 154 50.963 8.373 40.905 1.00 8.76 C
+ATOM 976 C ARG A 154 51.431 8.499 42.348 1.00 16.19 C
+ATOM 977 O ARG A 154 51.305 7.598 43.149 1.00 16.38 O
+ATOM 978 CB ARG A 154 52.171 8.341 39.965 1.00 16.34 C
+ATOM 979 CG ARG A 154 53.173 7.184 40.190 1.00 0.00 C
+ATOM 980 CD ARG A 154 54.319 7.140 39.164 1.00 0.00 C
+ATOM 981 NE ARG A 154 55.216 5.997 39.552 1.00 0.00 N
+ATOM 982 CZ ARG A 154 56.335 5.687 38.883 1.00 0.00 C
+ATOM 983 NH1 ARG A 154 57.056 4.654 39.314 1.00 0.00 N
+ATOM 984 NH2 ARG A 154 56.737 6.375 37.819 1.00 0.00 N
+ATOM 985 N ALA A 155 52.007 9.637 42.682 1.00 12.83 N
+ATOM 986 CA ALA A 155 52.495 9.831 44.034 1.00 12.69 C
+ATOM 987 C ALA A 155 51.399 9.615 45.058 1.00 16.75 C
+ATOM 988 O ALA A 155 51.607 9.028 46.122 1.00 16.55 O
+ATOM 989 CB ALA A 155 53.034 11.255 44.169 1.00 13.79 C
+ATOM 990 N ASP A 156 50.223 10.131 44.771 1.00 11.89 N
+ATOM 991 CA ASP A 156 49.118 9.977 45.693 1.00 12.48 C
+ATOM 992 C ASP A 156 48.744 8.517 45.875 1.00 21.97 C
+ATOM 993 O ASP A 156 48.528 7.995 46.970 1.00 19.83 O
+ATOM 994 CB ASP A 156 47.907 10.782 45.202 1.00 12.34 C
+ATOM 995 CG ASP A 156 48.105 12.284 45.347 1.00 0.00 C
+ATOM 996 OD1 ASP A 156 49.021 12.687 46.107 1.00 0.00 O
+ATOM 997 OD2 ASP A 156 47.342 13.038 44.698 1.00 0.00 O
+ATOM 998 N LEU A 157 48.651 7.817 44.777 1.00 14.00 N
+ATOM 999 CA LEU A 157 48.294 6.423 44.887 1.00 11.97 C
+ATOM 1000 C LEU A 157 49.316 5.627 45.679 1.00 16.77 C
+ATOM 1001 O LEU A 157 48.951 4.778 46.496 1.00 17.11 O
+ATOM 1002 CB LEU A 157 48.073 5.833 43.476 1.00 12.75 C
+ATOM 1003 CG LEU A 157 46.832 6.315 42.688 1.00 0.00 C
+ATOM 1004 CD1 LEU A 157 46.869 5.780 41.248 1.00 0.00 C
+ATOM 1005 CD2 LEU A 157 45.513 5.842 43.318 1.00 0.00 C
+ATOM 1006 N LEU A 158 50.611 5.863 45.430 1.00 15.18 N
+ATOM 1007 CA LEU A 158 51.658 5.136 46.152 1.00 16.07 C
+ATOM 1008 C LEU A 158 51.609 5.459 47.641 1.00 20.63 C
+ATOM 1009 O LEU A 158 51.851 4.625 48.503 1.00 18.89 O
+ATOM 1010 CB LEU A 158 53.070 5.325 45.581 1.00 17.83 C
+ATOM 1011 CG LEU A 158 53.367 4.708 44.193 1.00 0.00 C
+ATOM 1012 CD1 LEU A 158 54.763 5.126 43.707 1.00 0.00 C
+ATOM 1013 CD2 LEU A 158 53.328 3.173 44.210 1.00 0.00 C
+ATOM 1014 N ALA A 159 51.230 6.678 47.960 1.00 12.34 N
+ATOM 1015 CA ALA A 159 51.107 6.980 49.362 1.00 13.32 C
+ATOM 1016 C ALA A 159 49.946 6.213 49.974 1.00 21.98 C
+ATOM 1017 O ALA A 159 50.009 5.781 51.127 1.00 19.92 O
+ATOM 1018 CB ALA A 159 50.950 8.468 49.579 1.00 16.00 C
+ATOM 1019 N SER A 160 48.855 6.061 49.210 1.00 14.81 N
+ATOM 1020 CA SER A 160 47.706 5.324 49.703 1.00 13.39 C
+ATOM 1021 C SER A 160 48.064 3.853 49.870 1.00 21.98 C
+ATOM 1022 O SER A 160 47.552 3.156 50.740 1.00 20.41 O
+ATOM 1023 CB SER A 160 46.507 5.485 48.789 1.00 16.05 C
+ATOM 1024 OG SER A 160 46.013 6.831 48.766 1.00 0.00 O
+ATOM 1025 N VAL A 161 48.954 3.377 49.013 1.00 14.74 N
+ATOM 1026 CA VAL A 161 49.415 2.006 49.123 1.00 14.13 C
+ATOM 1027 C VAL A 161 50.153 1.917 50.461 1.00 21.88 C
+ATOM 1028 O VAL A 161 49.801 1.126 51.322 1.00 24.97 O
+ATOM 1029 CB VAL A 161 50.371 1.700 47.976 1.00 19.02 C
+ATOM 1030 CG1 VAL A 161 51.075 0.331 48.094 1.00 0.00 C
+ATOM 1031 CG2 VAL A 161 49.676 1.780 46.603 1.00 0.00 C
+ATOM 1032 N ALA A 162 51.161 2.773 50.666 1.00 23.57 N
+ATOM 1033 CA ALA A 162 51.894 2.776 51.925 1.00 22.08 C
+ATOM 1034 C ALA A 162 50.948 2.750 53.110 1.00 24.59 C
+ATOM 1035 O ALA A 162 51.156 1.987 54.059 1.00 25.13 O
+ATOM 1036 CB ALA A 162 52.838 3.952 52.055 1.00 22.57 C
+ATOM 1037 N ASP A 163 49.887 3.560 53.041 1.00 20.62 N
+ATOM 1038 CA ASP A 163 48.898 3.626 54.115 1.00 21.24 C
+ATOM 1039 C ASP A 163 48.239 2.291 54.366 1.00 31.16 C
+ATOM 1040 O ASP A 163 48.088 1.861 55.513 1.00 31.07 O
+ATOM 1041 CB ASP A 163 47.816 4.706 53.936 1.00 23.16 C
+ATOM 1042 CG ASP A 163 48.356 6.114 54.138 1.00 0.00 C
+ATOM 1043 OD1 ASP A 163 49.463 6.244 54.718 1.00 0.00 O
+ATOM 1044 OD2 ASP A 163 47.665 7.070 53.712 1.00 0.00 O
+ATOM 1045 N ALA A 164 47.823 1.642 53.283 1.00 21.07 N
+ATOM 1046 CA ALA A 164 47.173 0.346 53.382 1.00 20.70 C
+ATOM 1047 C ALA A 164 48.129 -0.702 53.963 1.00 20.61 C
+ATOM 1048 O ALA A 164 47.802 -1.484 54.838 1.00 19.77 O
+ATOM 1049 CB ALA A 164 46.687 -0.070 51.993 1.00 20.42 C
+ATOM 1050 N VAL A 165 49.335 -0.698 53.465 1.00 18.00 N
+ATOM 1051 CA VAL A 165 50.327 -1.648 53.899 1.00 26.47 C
+ATOM 1052 C VAL A 165 50.579 -1.521 55.382 1.00 33.36 C
+ATOM 1053 O VAL A 165 50.659 -2.485 56.137 1.00 31.04 O
+ATOM 1054 CB VAL A 165 51.644 -1.354 53.204 1.00 32.90 C
+ATOM 1055 CG1 VAL A 165 52.836 -2.173 53.746 1.00 0.00 C
+ATOM 1056 CG2 VAL A 165 51.556 -1.561 51.679 1.00 0.00 C
+ATOM 1057 N ALA A 166 50.736 -0.285 55.774 1.00 22.57 N
+ATOM 1058 CA ALA A 166 50.990 -0.008 57.149 1.00 24.18 C
+ATOM 1059 C ALA A 166 49.897 -0.567 58.021 1.00 34.02 C
+ATOM 1060 O ALA A 166 50.144 -0.822 59.202 1.00 35.37 O
+ATOM 1061 CB ALA A 166 51.104 1.482 57.339 1.00 26.29 C
+ATOM 1062 N ALA A 167 48.689 -0.743 57.449 1.00 27.97 N
+ATOM 1063 CA ALA A 167 47.543 -1.274 58.191 1.00 22.23 C
+ATOM 1064 C ALA A 167 47.540 -2.803 58.228 1.00 26.66 C
+ATOM 1065 O ALA A 167 46.663 -3.439 58.821 1.00 30.92 O
+ATOM 1066 CB ALA A 167 46.222 -0.729 57.672 1.00 19.05 C
+ATOM 1067 N GLY A 168 48.528 -3.417 57.578 1.00 22.21 N
+ATOM 1068 CA GLY A 168 48.563 -4.865 57.580 1.00 23.28 C
+ATOM 1069 C GLY A 168 48.019 -5.469 56.299 1.00 32.28 C
+ATOM 1070 O GLY A 168 47.878 -6.684 56.147 1.00 29.91 O
+ATOM 1071 N VAL A 169 47.709 -4.628 55.328 1.00 28.18 N
+ATOM 1072 CA VAL A 169 47.207 -5.196 54.096 1.00 23.14 C
+ATOM 1073 C VAL A 169 48.351 -5.714 53.240 1.00 25.50 C
+ATOM 1074 O VAL A 169 49.380 -5.057 53.114 1.00 27.91 O
+ATOM 1075 CB VAL A 169 46.463 -4.126 53.309 1.00 25.85 C
+ATOM 1076 CG1 VAL A 169 45.984 -4.590 51.916 1.00 0.00 C
+ATOM 1077 CG2 VAL A 169 45.254 -3.569 54.085 1.00 0.00 C
+ATOM 1078 N ASP A 170 48.184 -6.887 52.640 1.00 19.66 N
+ATOM 1079 CA ASP A 170 49.202 -7.397 51.747 1.00 18.88 C
+ATOM 1080 C ASP A 170 49.054 -6.612 50.435 1.00 31.51 C
+ATOM 1081 O ASP A 170 47.976 -6.468 49.844 1.00 23.38 O
+ATOM 1082 CB ASP A 170 49.015 -8.897 51.473 1.00 22.65 C
+ATOM 1083 CG ASP A 170 50.144 -9.484 50.638 1.00 0.00 C
+ATOM 1084 OD1 ASP A 170 50.264 -9.091 49.450 1.00 0.00 O
+ATOM 1085 OD2 ASP A 170 50.892 -10.330 51.182 1.00 0.00 O
+ATOM 1086 N PRO A 171 50.165 -6.071 49.982 1.00 35.48 N
+ATOM 1087 CA PRO A 171 50.179 -5.285 48.768 1.00 32.63 C
+ATOM 1088 C PRO A 171 49.600 -6.012 47.581 1.00 25.07 C
+ATOM 1089 O PRO A 171 49.085 -5.411 46.653 1.00 27.62 O
+ATOM 1090 CB PRO A 171 51.662 -5.031 48.481 1.00 36.65 C
+ATOM 1091 CG PRO A 171 52.330 -5.079 49.859 1.00 0.00 C
+ATOM 1092 CD PRO A 171 51.562 -6.190 50.582 1.00 0.00 C
+ATOM 1093 N ALA A 172 49.752 -7.316 47.601 1.00 22.71 N
+ATOM 1094 CA ALA A 172 49.317 -8.165 46.519 1.00 22.03 C
+ATOM 1095 C ALA A 172 47.832 -8.098 46.324 1.00 20.70 C
+ATOM 1096 O ALA A 172 47.292 -8.494 45.289 1.00 23.59 O
+ATOM 1097 CB ALA A 172 49.729 -9.591 46.803 1.00 25.79 C
+ATOM 1098 N ARG A 173 47.175 -7.585 47.343 1.00 17.44 N
+ATOM 1099 CA ARG A 173 45.733 -7.498 47.248 1.00 17.17 C
+ATOM 1100 C ARG A 173 45.277 -6.158 46.730 1.00 17.80 C
+ATOM 1101 O ARG A 173 44.090 -5.958 46.504 1.00 19.14 O
+ATOM 1102 CB ARG A 173 45.100 -7.730 48.604 1.00 14.39 C
+ATOM 1103 CG ARG A 173 45.341 -9.123 49.234 1.00 0.00 C
+ATOM 1104 CD ARG A 173 44.629 -10.273 48.501 1.00 0.00 C
+ATOM 1105 NE ARG A 173 44.919 -11.532 49.269 1.00 0.00 N
+ATOM 1106 CZ ARG A 173 44.531 -12.746 48.855 1.00 0.00 C
+ATOM 1107 NH1 ARG A 173 44.841 -13.795 49.613 1.00 0.00 N
+ATOM 1108 NH2 ARG A 173 43.856 -12.925 47.724 1.00 0.00 N
+ATOM 1109 N LEU A 174 46.217 -5.236 46.582 1.00 15.50 N
+ATOM 1110 CA LEU A 174 45.837 -3.919 46.156 1.00 12.97 C
+ATOM 1111 C LEU A 174 45.645 -3.721 44.666 1.00 18.48 C
+ATOM 1112 O LEU A 174 46.297 -4.366 43.855 1.00 14.20 O
+ATOM 1113 CB LEU A 174 46.806 -2.895 46.713 1.00 15.62 C
+ATOM 1114 CG LEU A 174 46.902 -2.766 48.252 1.00 0.00 C
+ATOM 1115 CD1 LEU A 174 47.992 -1.756 48.640 1.00 0.00 C
+ATOM 1116 CD2 LEU A 174 45.587 -2.288 48.886 1.00 0.00 C
+ATOM 1117 N VAL A 175 44.746 -2.793 44.335 1.00 13.59 N
+ATOM 1118 CA VAL A 175 44.493 -2.429 42.962 1.00 11.99 C
+ATOM 1119 C VAL A 175 44.454 -0.915 42.900 1.00 17.44 C
+ATOM 1120 O VAL A 175 43.825 -0.267 43.724 1.00 17.01 O
+ATOM 1121 CB VAL A 175 43.190 -3.044 42.481 1.00 14.61 C
+ATOM 1122 CG1 VAL A 175 42.822 -2.678 41.027 1.00 0.00 C
+ATOM 1123 CG2 VAL A 175 43.186 -4.579 42.618 1.00 0.00 C
+ATOM 1124 N LEU A 176 45.139 -0.326 41.943 1.00 12.54 N
+ATOM 1125 CA LEU A 176 45.132 1.114 41.799 1.00 11.00 C
+ATOM 1126 C LEU A 176 44.109 1.491 40.742 1.00 19.03 C
+ATOM 1127 O LEU A 176 43.878 0.754 39.781 1.00 15.42 O
+ATOM 1128 CB LEU A 176 46.459 1.641 41.216 1.00 9.97 C
+ATOM 1129 CG LEU A 176 47.753 1.352 42.013 1.00 0.00 C
+ATOM 1130 CD1 LEU A 176 48.982 1.867 41.248 1.00 0.00 C
+ATOM 1131 CD2 LEU A 176 47.758 2.025 43.394 1.00 0.00 C
+ATOM 1132 N ASP A 177 43.543 2.672 40.934 1.00 14.30 N
+ATOM 1133 CA ASP A 177 42.591 3.271 40.010 1.00 13.10 C
+ATOM 1134 C ASP A 177 42.801 4.777 40.046 1.00 12.99 C
+ATOM 1135 O ASP A 177 42.712 5.395 41.101 1.00 12.10 O
+ATOM 1136 CB ASP A 177 41.148 2.837 40.279 1.00 9.02 C
+ATOM 1137 CG ASP A 177 40.176 3.356 39.230 1.00 0.00 C
+ATOM 1138 OD1 ASP A 177 40.403 4.483 38.722 1.00 0.00 O
+ATOM 1139 OD2 ASP A 177 39.199 2.630 38.929 1.00 0.00 O
+ATOM 1140 N PRO A 178 43.112 5.358 38.880 1.00 14.21 N
+ATOM 1141 CA PRO A 178 43.374 6.788 38.775 1.00 9.10 C
+ATOM 1142 C PRO A 178 42.155 7.655 39.016 1.00 10.60 C
+ATOM 1143 O PRO A 178 42.301 8.856 39.087 1.00 15.03 O
+ATOM 1144 CB PRO A 178 43.922 7.011 37.378 1.00 9.64 C
+ATOM 1145 CG PRO A 178 43.330 5.866 36.550 1.00 0.00 C
+ATOM 1146 CD PRO A 178 43.292 4.700 37.541 1.00 0.00 C
+ATOM 1147 N GLY A 179 40.959 7.083 39.166 1.00 7.86 N
+ATOM 1148 CA GLY A 179 39.774 7.899 39.456 1.00 8.63 C
+ATOM 1149 C GLY A 179 39.435 8.903 38.360 1.00 11.77 C
+ATOM 1150 O GLY A 179 39.325 10.108 38.555 1.00 8.45 O
+ATOM 1151 N LEU A 180 39.234 8.396 37.160 1.00 9.54 N
+ATOM 1152 CA LEU A 180 38.924 9.327 36.096 1.00 8.42 C
+ATOM 1153 C LEU A 180 37.702 10.193 36.377 1.00 9.86 C
+ATOM 1154 O LEU A 180 36.667 9.687 36.807 1.00 14.93 O
+ATOM 1155 CB LEU A 180 38.756 8.573 34.747 1.00 8.51 C
+ATOM 1156 CG LEU A 180 40.015 7.911 34.138 1.00 0.00 C
+ATOM 1157 CD1 LEU A 180 39.642 7.093 32.893 1.00 0.00 C
+ATOM 1158 CD2 LEU A 180 41.074 8.939 33.711 1.00 0.00 C
+ATOM 1159 N GLY A 181 37.840 11.484 36.087 1.00 9.19 N
+ATOM 1160 CA GLY A 181 36.800 12.461 36.259 1.00 7.72 C
+ATOM 1161 C GLY A 181 36.529 12.865 37.699 1.00 11.48 C
+ATOM 1162 O GLY A 181 35.674 13.707 37.966 1.00 11.94 O
+ATOM 1163 N PHE A 182 37.221 12.286 38.672 1.00 11.98 N
+ATOM 1164 CA PHE A 182 36.955 12.707 40.052 1.00 11.02 C
+ATOM 1165 C PHE A 182 37.860 13.882 40.406 1.00 10.23 C
+ATOM 1166 O PHE A 182 39.053 13.693 40.650 1.00 13.28 O
+ATOM 1167 CB PHE A 182 37.235 11.549 41.007 1.00 12.37 C
+ATOM 1168 CG PHE A 182 36.257 10.409 40.846 1.00 0.00 C
+ATOM 1169 CD1 PHE A 182 36.564 9.348 40.019 1.00 0.00 C
+ATOM 1170 CD2 PHE A 182 35.056 10.429 41.526 1.00 0.00 C
+ATOM 1171 CE1 PHE A 182 35.657 8.291 39.869 1.00 0.00 C
+ATOM 1172 CE2 PHE A 182 34.150 9.372 41.377 1.00 0.00 C
+ATOM 1173 CZ PHE A 182 34.439 8.311 40.559 1.00 0.00 C
+ATOM 1174 N ALA A 183 37.306 15.080 40.424 1.00 10.30 N
+ATOM 1175 CA ALA A 183 38.083 16.276 40.675 1.00 15.43 C
+ATOM 1176 C ALA A 183 39.157 16.408 39.600 1.00 12.84 C
+ATOM 1177 O ALA A 183 40.263 16.897 39.843 1.00 13.52 O
+ATOM 1178 CB ALA A 183 38.657 16.346 42.090 1.00 14.29 C
+ATOM 1179 N LYS A 184 38.801 15.948 38.392 1.00 10.78 N
+ATOM 1180 CA LYS A 184 39.680 15.959 37.220 1.00 10.05 C
+ATOM 1181 C LYS A 184 38.924 16.377 35.968 1.00 14.08 C
+ATOM 1182 O LYS A 184 37.755 16.018 35.807 1.00 11.62 O
+ATOM 1183 CB LYS A 184 40.272 14.569 36.936 1.00 12.48 C
+ATOM 1184 CG LYS A 184 41.199 13.998 38.030 1.00 0.00 C
+ATOM 1185 CD LYS A 184 41.765 12.609 37.685 1.00 0.00 C
+ATOM 1186 CE LYS A 184 42.708 12.076 38.772 1.00 0.00 C
+ATOM 1187 NZ LYS A 184 41.973 11.829 40.010 1.00 0.00 N
+ATOM 1188 N THR A 185 39.612 17.102 35.073 1.00 12.85 N
+ATOM 1189 CA THR A 185 39.026 17.532 33.808 1.00 12.19 C
+ATOM 1190 C THR A 185 39.177 16.436 32.776 1.00 13.93 C
+ATOM 1191 O THR A 185 39.909 15.459 32.954 1.00 12.70 O
+ATOM 1192 CB THR A 185 39.779 18.758 33.229 1.00 10.60 C
+ATOM 1193 OG1 THR A 185 41.133 18.454 32.906 1.00 0.00 O
+ATOM 1194 CG2 THR A 185 39.782 20.016 34.104 1.00 0.00 C
+ATOM 1195 N ALA A 186 38.529 16.645 31.641 1.00 15.20 N
+ATOM 1196 CA ALA A 186 38.677 15.712 30.538 1.00 15.36 C
+ATOM 1197 C ALA A 186 40.148 15.664 30.130 1.00 12.16 C
+ATOM 1198 O ALA A 186 40.675 14.584 29.845 1.00 11.14 O
+ATOM 1199 CB ALA A 186 37.846 16.185 29.355 1.00 11.74 C
+ATOM 1200 N GLN A 187 40.812 16.852 30.097 1.00 8.72 N
+ATOM 1201 CA GLN A 187 42.222 16.902 29.735 1.00 9.20 C
+ATOM 1202 C GLN A 187 43.084 16.069 30.675 1.00 14.58 C
+ATOM 1203 O GLN A 187 43.961 15.330 30.216 1.00 11.12 O
+ATOM 1204 CB GLN A 187 42.783 18.313 29.542 1.00 15.64 C
+ATOM 1205 CG GLN A 187 42.270 19.072 28.287 1.00 0.00 C
+ATOM 1206 CD GLN A 187 42.807 20.504 28.207 1.00 0.00 C
+ATOM 1207 OE1 GLN A 187 43.154 21.117 29.215 1.00 0.00 O
+ATOM 1208 NE2 GLN A 187 42.882 21.060 26.976 1.00 0.00 N
+ATOM 1209 N HIS A 188 42.801 16.163 31.984 1.00 11.28 N
+ATOM 1210 CA HIS A 188 43.548 15.354 32.946 1.00 9.34 C
+ATOM 1211 C HIS A 188 43.335 13.887 32.631 1.00 9.79 C
+ATOM 1212 O HIS A 188 44.265 13.071 32.704 1.00 10.82 O
+ATOM 1213 CB HIS A 188 43.100 15.563 34.413 1.00 9.67 C
+ATOM 1214 CG HIS A 188 43.485 16.899 34.987 1.00 0.00 C
+ATOM 1215 ND1 HIS A 188 42.668 17.655 35.800 1.00 0.00 N
+ATOM 1216 CD2 HIS A 188 44.638 17.605 34.842 1.00 0.00 C
+ATOM 1217 CE1 HIS A 188 43.353 18.781 36.114 1.00 0.00 C
+ATOM 1218 NE2 HIS A 188 44.559 18.790 35.549 1.00 0.00 N
+ATOM 1219 N ASN A 189 42.078 13.556 32.325 1.00 10.23 N
+ATOM 1220 CA ASN A 189 41.695 12.179 32.026 1.00 12.09 C
+ATOM 1221 C ASN A 189 42.518 11.610 30.898 1.00 14.93 C
+ATOM 1222 O ASN A 189 43.071 10.513 31.018 1.00 13.03 O
+ATOM 1223 CB ASN A 189 40.194 12.032 31.685 1.00 11.13 C
+ATOM 1224 CG ASN A 189 39.258 12.169 32.890 1.00 0.00 C
+ATOM 1225 OD1 ASN A 189 39.615 11.910 34.040 1.00 0.00 O
+ATOM 1226 ND2 ASN A 189 38.002 12.593 32.623 1.00 0.00 N
+ATOM 1227 N TRP A 190 42.563 12.363 29.796 1.00 15.25 N
+ATOM 1228 CA TRP A 190 43.304 11.909 28.623 1.00 13.80 C
+ATOM 1229 C TRP A 190 44.784 11.775 28.920 1.00 10.82 C
+ATOM 1230 O TRP A 190 45.447 10.834 28.446 1.00 12.76 O
+ATOM 1231 CB TRP A 190 43.016 12.754 27.368 1.00 11.69 C
+ATOM 1232 CG TRP A 190 41.634 12.557 26.758 1.00 0.00 C
+ATOM 1233 CD1 TRP A 190 40.528 13.358 26.848 1.00 0.00 C
+ATOM 1234 CD2 TRP A 190 41.266 11.425 25.946 1.00 0.00 C
+ATOM 1235 CE2 TRP A 190 39.915 11.612 25.579 1.00 0.00 C
+ATOM 1236 NE1 TRP A 190 39.486 12.793 26.137 1.00 0.00 N
+ATOM 1237 CE3 TRP A 190 41.977 10.296 25.518 1.00 0.00 C
+ATOM 1238 CZ3 TRP A 190 41.309 9.359 24.717 1.00 0.00 C
+ATOM 1239 CH2 TRP A 190 39.969 9.546 24.353 1.00 0.00 C
+ATOM 1240 CZ2 TRP A 190 39.257 10.677 24.782 1.00 0.00 C
+ATOM 1241 N ALA A 191 45.291 12.690 29.751 1.00 10.26 N
+ATOM 1242 CA ALA A 191 46.697 12.661 30.127 1.00 10.50 C
+ATOM 1243 C ALA A 191 47.040 11.400 30.908 1.00 8.96 C
+ATOM 1244 O ALA A 191 48.067 10.731 30.697 1.00 12.61 O
+ATOM 1245 CB ALA A 191 47.051 13.890 30.946 1.00 14.11 C
+ATOM 1246 N ILE A 192 46.134 11.057 31.810 1.00 14.16 N
+ATOM 1247 CA ILE A 192 46.318 9.858 32.623 1.00 12.49 C
+ATOM 1248 C ILE A 192 46.290 8.626 31.753 1.00 10.17 C
+ATOM 1249 O ILE A 192 47.132 7.748 31.904 1.00 13.47 O
+ATOM 1250 CB ILE A 192 45.302 9.762 33.764 1.00 13.98 C
+ATOM 1251 CG1 ILE A 192 45.484 10.852 34.851 1.00 0.00 C
+ATOM 1252 CG2 ILE A 192 45.176 8.348 34.374 1.00 0.00 C
+ATOM 1253 CD1 ILE A 192 44.316 10.945 35.848 1.00 0.00 C
+ATOM 1254 N LEU A 193 45.330 8.564 30.832 1.00 9.72 N
+ATOM 1255 CA LEU A 193 45.265 7.401 29.943 1.00 10.43 C
+ATOM 1256 C LEU A 193 46.473 7.283 29.037 1.00 12.52 C
+ATOM 1257 O LEU A 193 47.068 6.219 28.865 1.00 13.19 O
+ATOM 1258 CB LEU A 193 43.973 7.374 29.120 1.00 11.59 C
+ATOM 1259 CG LEU A 193 42.651 7.101 29.876 1.00 0.00 C
+ATOM 1260 CD1 LEU A 193 41.447 7.298 28.942 1.00 0.00 C
+ATOM 1261 CD2 LEU A 193 42.573 5.670 30.429 1.00 0.00 C
+ATOM 1262 N HIS A 194 46.871 8.401 28.469 1.00 14.81 N
+ATOM 1263 CA HIS A 194 48.048 8.364 27.627 1.00 14.15 C
+ATOM 1264 C HIS A 194 49.250 7.792 28.388 1.00 20.04 C
+ATOM 1265 O HIS A 194 50.026 7.013 27.874 1.00 18.64 O
+ATOM 1266 CB HIS A 194 48.301 9.807 27.173 1.00 13.66 C
+ATOM 1267 CG HIS A 194 49.480 9.962 26.252 1.00 0.00 C
+ATOM 1268 ND1 HIS A 194 49.504 9.520 24.946 1.00 0.00 N
+ATOM 1269 CD2 HIS A 194 50.693 10.530 26.484 1.00 0.00 C
+ATOM 1270 CE1 HIS A 194 50.721 9.835 24.443 1.00 0.00 C
+ATOM 1271 NE2 HIS A 194 51.477 10.453 25.350 1.00 0.00 N
+ATOM 1272 N ALA A 195 49.422 8.161 29.656 1.00 13.42 N
+ATOM 1273 CA ALA A 195 50.527 7.686 30.470 1.00 11.05 C
+ATOM 1274 C ALA A 195 50.141 6.436 31.248 1.00 18.96 C
+ATOM 1275 O ALA A 195 50.673 6.115 32.315 1.00 15.93 O
+ATOM 1276 CB ALA A 195 50.880 8.783 31.456 1.00 13.86 C
+ATOM 1277 N LEU A 196 49.167 5.708 30.744 1.00 10.85 N
+ATOM 1278 CA LEU A 196 48.786 4.532 31.477 1.00 13.97 C
+ATOM 1279 C LEU A 196 49.943 3.599 31.779 1.00 14.03 C
+ATOM 1280 O LEU A 196 50.037 3.015 32.853 1.00 18.55 O
+ATOM 1281 CB LEU A 196 47.656 3.797 30.755 1.00 13.58 C
+ATOM 1282 CG LEU A 196 47.099 2.516 31.420 1.00 0.00 C
+ATOM 1283 CD1 LEU A 196 46.503 2.842 32.798 1.00 0.00 C
+ATOM 1284 CD2 LEU A 196 45.991 1.853 30.587 1.00 0.00 C
+ATOM 1285 N PRO A 197 50.836 3.427 30.822 1.00 17.38 N
+ATOM 1286 CA PRO A 197 51.956 2.521 31.046 1.00 19.28 C
+ATOM 1287 C PRO A 197 52.825 2.905 32.235 1.00 19.10 C
+ATOM 1288 O PRO A 197 53.345 2.051 32.938 1.00 20.58 O
+ATOM 1289 CB PRO A 197 52.717 2.427 29.718 1.00 21.49 C
+ATOM 1290 CG PRO A 197 51.661 2.737 28.652 1.00 0.00 C
+ATOM 1291 CD PRO A 197 50.795 3.810 29.319 1.00 0.00 C
+ATOM 1292 N GLU A 198 52.966 4.190 32.512 1.00 18.81 N
+ATOM 1293 CA GLU A 198 53.736 4.605 33.677 1.00 19.33 C
+ATOM 1294 C GLU A 198 53.065 4.141 34.985 1.00 22.04 C
+ATOM 1295 O GLU A 198 53.700 3.857 35.975 1.00 24.24 O
+ATOM 1296 CB GLU A 198 53.773 6.137 33.772 1.00 23.20 C
+ATOM 1297 CG GLU A 198 54.652 6.721 34.915 1.00 0.00 C
+ATOM 1298 CD GLU A 198 54.773 8.246 34.947 1.00 0.00 C
+ATOM 1299 OE1 GLU A 198 54.162 8.848 34.025 1.00 0.00 O
+ATOM 1300 OE2 GLU A 198 55.443 8.804 35.847 1.00 0.00 O
+ATOM 1301 N LEU A 199 51.739 4.118 35.046 1.00 17.83 N
+ATOM 1302 CA LEU A 199 51.072 3.694 36.262 1.00 19.49 C
+ATOM 1303 C LEU A 199 51.170 2.191 36.355 1.00 21.72 C
+ATOM 1304 O LEU A 199 51.375 1.601 37.419 1.00 20.42 O
+ATOM 1305 CB LEU A 199 49.590 4.092 36.198 1.00 26.08 C
+ATOM 1306 CG LEU A 199 49.255 5.602 36.228 1.00 0.00 C
+ATOM 1307 CD1 LEU A 199 47.752 5.824 36.003 1.00 0.00 C
+ATOM 1308 CD2 LEU A 199 49.620 6.261 37.566 1.00 0.00 C
+ATOM 1309 N VAL A 200 51.003 1.555 35.190 1.00 19.31 N
+ATOM 1310 CA VAL A 200 51.100 0.107 35.127 1.00 17.98 C
+ATOM 1311 C VAL A 200 52.484 -0.340 35.654 1.00 22.13 C
+ATOM 1312 O VAL A 200 52.625 -1.336 36.353 1.00 16.85 O
+ATOM 1313 CB VAL A 200 50.769 -0.394 33.708 1.00 18.94 C
+ATOM 1314 CG1 VAL A 200 51.046 -1.898 33.493 1.00 0.00 C
+ATOM 1315 CG2 VAL A 200 49.308 -0.101 33.314 1.00 0.00 C
+ATOM 1316 N ALA A 201 53.506 0.448 35.336 1.00 19.69 N
+ATOM 1317 CA ALA A 201 54.887 0.211 35.751 1.00 23.37 C
+ATOM 1318 C ALA A 201 55.102 0.212 37.270 1.00 33.29 C
+ATOM 1319 O ALA A 201 56.170 -0.162 37.755 1.00 34.72 O
+ATOM 1320 CB ALA A 201 55.881 1.154 35.059 1.00 18.43 C
+ATOM 1321 N THR A 202 54.115 0.652 38.041 1.00 28.54 N
+ATOM 1322 CA THR A 202 54.285 0.628 39.481 1.00 24.02 C
+ATOM 1323 C THR A 202 54.294 -0.824 39.898 1.00 21.89 C
+ATOM 1324 O THR A 202 54.637 -1.158 41.027 1.00 29.97 O
+ATOM 1325 CB THR A 202 53.106 1.268 40.240 1.00 28.34 C
+ATOM 1326 OG1 THR A 202 51.873 0.602 39.979 1.00 0.00 O
+ATOM 1327 CG2 THR A 202 52.885 2.765 39.995 1.00 0.00 C
+ATOM 1328 N GLY A 203 53.870 -1.689 38.994 1.00 19.45 N
+ATOM 1329 CA GLY A 203 53.817 -3.098 39.334 1.00 17.66 C
+ATOM 1330 C GLY A 203 52.581 -3.453 40.146 1.00 21.25 C
+ATOM 1331 O GLY A 203 52.396 -4.593 40.538 1.00 26.31 O
+ATOM 1332 N ILE A 204 51.717 -2.490 40.422 1.00 18.11 N
+ATOM 1333 CA ILE A 204 50.486 -2.779 41.144 1.00 17.49 C
+ATOM 1334 C ILE A 204 49.391 -2.762 40.104 1.00 19.13 C
+ATOM 1335 O ILE A 204 49.370 -1.876 39.245 1.00 16.49 O
+ATOM 1336 CB ILE A 204 50.200 -1.780 42.256 1.00 19.50 C
+ATOM 1337 CG1 ILE A 204 51.284 -1.756 43.363 1.00 0.00 C
+ATOM 1338 CG2 ILE A 204 48.774 -1.885 42.841 1.00 0.00 C
+ATOM 1339 CD1 ILE A 204 51.145 -0.586 44.352 1.00 0.00 C
+ATOM 1340 N PRO A 205 48.514 -3.738 40.133 1.00 16.08 N
+ATOM 1341 CA PRO A 205 47.447 -3.789 39.123 1.00 13.94 C
+ATOM 1342 C PRO A 205 46.665 -2.497 38.993 1.00 14.15 C
+ATOM 1343 O PRO A 205 46.309 -1.886 40.001 1.00 14.42 O
+ATOM 1344 CB PRO A 205 46.538 -4.938 39.555 1.00 17.00 C
+ATOM 1345 CG PRO A 205 47.467 -5.896 40.309 1.00 0.00 C
+ATOM 1346 CD PRO A 205 48.397 -4.950 41.075 1.00 0.00 C
+ATOM 1347 N VAL A 206 46.377 -2.091 37.753 1.00 15.04 N
+ATOM 1348 CA VAL A 206 45.602 -0.874 37.500 1.00 14.99 C
+ATOM 1349 C VAL A 206 44.220 -1.151 36.899 1.00 13.72 C
+ATOM 1350 O VAL A 206 44.074 -1.919 35.935 1.00 12.33 O
+ATOM 1351 CB VAL A 206 46.332 0.137 36.615 1.00 18.09 C
+ATOM 1352 CG1 VAL A 206 45.505 1.400 36.292 1.00 0.00 C
+ATOM 1353 CG2 VAL A 206 47.681 0.572 37.220 1.00 0.00 C
+ATOM 1354 N LEU A 207 43.216 -0.506 37.500 1.00 9.10 N
+ATOM 1355 CA LEU A 207 41.840 -0.617 37.052 1.00 10.64 C
+ATOM 1356 C LEU A 207 41.472 0.725 36.442 1.00 15.40 C
+ATOM 1357 O LEU A 207 41.795 1.754 37.029 1.00 13.17 O
+ATOM 1358 CB LEU A 207 40.881 -0.932 38.226 1.00 11.51 C
+ATOM 1359 CG LEU A 207 39.371 -1.037 37.905 1.00 0.00 C
+ATOM 1360 CD1 LEU A 207 39.096 -2.250 37.004 1.00 0.00 C
+ATOM 1361 CD2 LEU A 207 38.510 -1.200 39.167 1.00 0.00 C
+ATOM 1362 N VAL A 208 40.830 0.694 35.283 1.00 14.07 N
+ATOM 1363 CA VAL A 208 40.408 1.906 34.577 1.00 14.83 C
+ATOM 1364 C VAL A 208 38.901 2.047 34.631 1.00 10.86 C
+ATOM 1365 O VAL A 208 38.181 1.156 34.222 1.00 12.58 O
+ATOM 1366 CB VAL A 208 40.860 1.861 33.091 1.00 16.15 C
+ATOM 1367 CG1 VAL A 208 40.413 3.085 32.262 1.00 0.00 C
+ATOM 1368 CG2 VAL A 208 42.387 1.703 32.952 1.00 0.00 C
+ATOM 1369 N GLY A 209 38.401 3.190 35.098 1.00 10.62 N
+ATOM 1370 CA GLY A 209 36.970 3.376 35.148 1.00 10.51 C
+ATOM 1371 C GLY A 209 36.557 4.600 34.355 1.00 15.48 C
+ATOM 1372 O GLY A 209 36.270 5.670 34.911 1.00 11.65 O
+ATOM 1373 N ALA A 210 36.509 4.445 33.039 1.00 11.39 N
+ATOM 1374 CA ALA A 210 36.107 5.595 32.222 1.00 8.94 C
+ATOM 1375 C ALA A 210 34.645 5.559 31.776 1.00 12.94 C
+ATOM 1376 O ALA A 210 34.083 6.564 31.309 1.00 11.75 O
+ATOM 1377 CB ALA A 210 36.928 5.555 30.922 1.00 12.73 C
+ATOM 1378 N SER A 211 34.069 4.349 31.845 1.00 13.73 N
+ATOM 1379 CA SER A 211 32.727 4.057 31.376 1.00 10.26 C
+ATOM 1380 C SER A 211 31.674 5.139 31.471 1.00 13.68 C
+ATOM 1381 O SER A 211 31.255 5.483 32.551 1.00 12.09 O
+ATOM 1382 CB SER A 211 32.204 2.686 31.796 1.00 9.53 C
+ATOM 1383 OG SER A 211 30.846 2.469 31.388 1.00 0.00 O
+ATOM 1384 N ARG A 212 31.225 5.627 30.314 1.00 11.83 N
+ATOM 1385 CA ARG A 212 30.172 6.617 30.206 1.00 8.39 C
+ATOM 1386 C ARG A 212 30.384 7.929 30.923 1.00 8.84 C
+ATOM 1387 O ARG A 212 29.431 8.685 31.064 1.00 11.17 O
+ATOM 1388 CB ARG A 212 28.830 6.035 30.583 1.00 10.42 C
+ATOM 1389 CG ARG A 212 28.346 4.840 29.728 1.00 0.00 C
+ATOM 1390 CD ARG A 212 26.948 4.323 30.108 1.00 0.00 C
+ATOM 1391 NE ARG A 212 26.638 3.172 29.193 1.00 0.00 N
+ATOM 1392 CZ ARG A 212 25.522 2.436 29.296 1.00 0.00 C
+ATOM 1393 NH1 ARG A 212 25.348 1.438 28.432 1.00 0.00 N
+ATOM 1394 NH2 ARG A 212 24.601 2.674 30.224 1.00 0.00 N
+ATOM 1395 N LYS A 213 31.600 8.186 31.371 1.00 10.11 N
+ATOM 1396 CA LYS A 213 31.829 9.411 32.113 1.00 11.61 C
+ATOM 1397 C LYS A 213 31.667 10.661 31.266 1.00 18.17 C
+ATOM 1398 O LYS A 213 31.683 10.611 30.036 1.00 14.32 O
+ATOM 1399 CB LYS A 213 33.131 9.360 32.901 1.00 14.55 C
+ATOM 1400 CG LYS A 213 33.231 8.241 33.960 1.00 0.00 C
+ATOM 1401 CD LYS A 213 32.242 8.417 35.127 1.00 0.00 C
+ATOM 1402 CE LYS A 213 32.437 7.359 36.221 1.00 0.00 C
+ATOM 1403 NZ LYS A 213 31.449 7.534 37.282 1.00 0.00 N
+ATOM 1404 N ARG A 214 31.501 11.794 31.947 1.00 12.85 N
+ATOM 1405 CA ARG A 214 31.299 13.095 31.324 1.00 11.82 C
+ATOM 1406 C ARG A 214 32.273 13.383 30.198 1.00 15.38 C
+ATOM 1407 O ARG A 214 31.887 13.891 29.142 1.00 13.76 O
+ATOM 1408 CB ARG A 214 31.361 14.240 32.357 1.00 16.38 C
+ATOM 1409 CG ARG A 214 31.101 15.663 31.807 1.00 0.00 C
+ATOM 1410 CD ARG A 214 31.265 16.778 32.854 1.00 0.00 C
+ATOM 1411 NE ARG A 214 32.703 16.766 33.291 1.00 0.00 N
+ATOM 1412 CZ ARG A 214 33.688 17.332 32.579 1.00 0.00 C
+ATOM 1413 NH1 ARG A 214 34.927 17.263 33.059 1.00 0.00 N
+ATOM 1414 NH2 ARG A 214 33.460 17.951 31.425 1.00 0.00 N
+ATOM 1415 N PHE A 215 33.555 13.115 30.445 1.00 10.56 N
+ATOM 1416 CA PHE A 215 34.558 13.398 29.434 1.00 13.77 C
+ATOM 1417 C PHE A 215 34.213 12.793 28.073 1.00 14.03 C
+ATOM 1418 O PHE A 215 34.573 13.332 27.022 1.00 15.55 O
+ATOM 1419 CB PHE A 215 36.033 13.178 29.900 1.00 13.12 C
+ATOM 1420 CG PHE A 215 36.408 11.717 29.982 1.00 0.00 C
+ATOM 1421 CD1 PHE A 215 36.951 11.081 28.884 1.00 0.00 C
+ATOM 1422 CD2 PHE A 215 36.208 11.018 31.155 1.00 0.00 C
+ATOM 1423 CE1 PHE A 215 37.299 9.727 28.960 1.00 0.00 C
+ATOM 1424 CE2 PHE A 215 36.556 9.664 31.231 1.00 0.00 C
+ATOM 1425 CZ PHE A 215 37.096 9.018 30.150 1.00 0.00 C
+ATOM 1426 N LEU A 216 33.541 11.646 28.094 1.00 11.14 N
+ATOM 1427 CA LEU A 216 33.183 10.981 26.864 1.00 9.36 C
+ATOM 1428 C LEU A 216 31.983 11.672 26.242 1.00 15.36 C
+ATOM 1429 O LEU A 216 31.836 11.758 25.008 1.00 13.93 O
+ATOM 1430 CB LEU A 216 32.952 9.472 27.068 1.00 9.62 C
+ATOM 1431 CG LEU A 216 34.176 8.609 27.458 1.00 0.00 C
+ATOM 1432 CD1 LEU A 216 33.743 7.164 27.751 1.00 0.00 C
+ATOM 1433 CD2 LEU A 216 35.236 8.555 26.349 1.00 0.00 C
+ATOM 1434 N GLY A 217 31.100 12.180 27.106 1.00 14.19 N
+ATOM 1435 CA GLY A 217 29.931 12.899 26.600 1.00 12.84 C
+ATOM 1436 C GLY A 217 30.378 14.122 25.806 1.00 15.11 C
+ATOM 1437 O GLY A 217 29.798 14.488 24.774 1.00 14.00 O
+ATOM 1438 N ALA A 218 31.444 14.741 26.319 1.00 13.40 N
+ATOM 1439 CA ALA A 218 32.069 15.939 25.759 1.00 13.11 C
+ATOM 1440 C ALA A 218 32.870 15.628 24.481 1.00 13.85 C
+ATOM 1441 O ALA A 218 32.782 16.303 23.444 1.00 15.85 O
+ATOM 1442 CB ALA A 218 32.946 16.545 26.850 1.00 11.82 C
+ATOM 1443 N LEU A 219 33.658 14.574 24.558 1.00 9.82 N
+ATOM 1444 CA LEU A 219 34.431 14.147 23.422 1.00 11.51 C
+ATOM 1445 C LEU A 219 33.509 13.938 22.231 1.00 14.05 C
+ATOM 1446 O LEU A 219 33.813 14.309 21.099 1.00 13.31 O
+ATOM 1447 CB LEU A 219 35.144 12.798 23.724 1.00 7.23 C
+ATOM 1448 CG LEU A 219 36.020 12.188 22.604 1.00 0.00 C
+ATOM 1449 CD1 LEU A 219 37.176 13.136 22.250 1.00 0.00 C
+ATOM 1450 CD2 LEU A 219 36.640 10.842 23.008 1.00 0.00 C
+ATOM 1451 N LEU A 220 32.380 13.292 22.497 1.00 9.38 N
+ATOM 1452 CA LEU A 220 31.424 12.945 21.449 1.00 15.20 C
+ATOM 1453 C LEU A 220 30.244 13.889 21.276 1.00 13.02 C
+ATOM 1454 O LEU A 220 29.176 13.502 20.761 1.00 14.08 O
+ATOM 1455 CB LEU A 220 30.924 11.496 21.683 1.00 13.92 C
+ATOM 1456 CG LEU A 220 31.975 10.362 21.633 1.00 0.00 C
+ATOM 1457 CD1 LEU A 220 31.322 9.010 21.957 1.00 0.00 C
+ATOM 1458 CD2 LEU A 220 32.637 10.232 20.253 1.00 0.00 C
+ATOM 1459 N ALA A 221 30.405 15.123 21.721 1.00 9.91 N
+ATOM 1460 CA ALA A 221 29.294 16.045 21.614 1.00 10.69 C
+ATOM 1461 C ALA A 221 28.831 16.182 20.175 1.00 19.29 C
+ATOM 1462 O ALA A 221 29.659 16.072 19.267 1.00 16.16 O
+ATOM 1463 CB ALA A 221 29.652 17.399 22.170 1.00 13.78 C
+ATOM 1464 N GLY A 222 27.521 16.402 20.006 1.00 15.57 N
+ATOM 1465 CA GLY A 222 26.859 16.571 18.714 1.00 19.25 C
+ATOM 1466 C GLY A 222 27.291 17.842 17.984 1.00 23.55 C
+ATOM 1467 O GLY A 222 28.049 18.686 18.476 1.00 20.59 O
+ATOM 1468 N PRO A 223 26.838 17.977 16.749 1.00 29.84 N
+ATOM 1469 CA PRO A 223 27.206 19.141 15.961 1.00 33.60 C
+ATOM 1470 C PRO A 223 26.940 20.405 16.749 1.00 51.74 C
+ATOM 1471 O PRO A 223 27.800 21.287 16.802 1.00 57.83 O
+ATOM 1472 CB PRO A 223 26.333 19.119 14.713 1.00 31.60 C
+ATOM 1473 CG PRO A 223 26.077 17.631 14.454 1.00 0.00 C
+ATOM 1474 CD PRO A 223 25.868 17.061 15.860 1.00 0.00 C
+ATOM 1475 N ASP A 224 25.743 20.444 17.357 1.00 48.62 N
+ATOM 1476 CA ASP A 224 25.258 21.550 18.174 1.00 50.13 C
+ATOM 1477 C ASP A 224 26.230 21.892 19.287 1.00 59.94 C
+ATOM 1478 O ASP A 224 26.623 23.041 19.491 1.00 71.01 O
+ATOM 1479 CB ASP A 224 23.930 21.153 18.824 1.00 47.83 C
+ATOM 1480 CG ASP A 224 22.785 21.090 17.824 1.00 0.00 C
+ATOM 1481 OD1 ASP A 224 22.943 21.652 16.711 1.00 0.00 O
+ATOM 1482 OD2 ASP A 224 21.744 20.480 18.166 1.00 0.00 O
+ATOM 1483 N GLY A 225 26.614 20.862 20.015 1.00 42.43 N
+ATOM 1484 CA GLY A 225 27.523 21.037 21.126 1.00 39.77 C
+ATOM 1485 C GLY A 225 26.923 20.321 22.323 1.00 29.16 C
+ATOM 1486 O GLY A 225 27.423 20.422 23.443 1.00 30.90 O
+ATOM 1487 N VAL A 226 25.828 19.613 22.040 1.00 17.70 N
+ATOM 1488 CA VAL A 226 25.128 18.838 23.041 1.00 16.23 C
+ATOM 1489 C VAL A 226 25.839 17.503 23.225 1.00 22.61 C
+ATOM 1490 O VAL A 226 26.133 16.779 22.275 1.00 16.77 O
+ATOM 1491 CB VAL A 226 23.655 18.669 22.715 1.00 22.75 C
+ATOM 1492 CG1 VAL A 226 22.891 17.771 23.712 1.00 0.00 C
+ATOM 1493 CG2 VAL A 226 22.924 20.022 22.610 1.00 0.00 C
+ATOM 1494 N MET A 227 26.128 17.204 24.484 1.00 18.17 N
+ATOM 1495 CA MET A 227 26.849 16.001 24.853 1.00 12.84 C
+ATOM 1496 C MET A 227 26.171 14.744 24.368 1.00 14.85 C
+ATOM 1497 O MET A 227 24.943 14.643 24.300 1.00 12.21 O
+ATOM 1498 CB MET A 227 27.085 15.894 26.387 1.00 11.93 C
+ATOM 1499 CG MET A 227 28.072 16.919 26.992 1.00 0.00 C
+ATOM 1500 SD MET A 227 28.162 16.717 28.800 1.00 0.00 S
+ATOM 1501 CE MET A 227 29.030 15.117 28.863 1.00 0.00 C
+ATOM 1502 N ARG A 228 27.001 13.760 24.053 1.00 11.54 N
+ATOM 1503 CA ARG A 228 26.470 12.474 23.663 1.00 11.19 C
+ATOM 1504 C ARG A 228 25.759 11.912 24.892 1.00 12.38 C
+ATOM 1505 O ARG A 228 26.312 11.984 25.972 1.00 12.75 O
+ATOM 1506 CB ARG A 228 27.652 11.541 23.306 1.00 8.66 C
+ATOM 1507 CG ARG A 228 27.272 10.116 22.838 1.00 0.00 C
+ATOM 1508 CD ARG A 228 26.704 10.056 21.410 1.00 0.00 C
+ATOM 1509 NE ARG A 228 26.449 8.608 21.096 1.00 0.00 N
+ATOM 1510 CZ ARG A 228 25.908 8.195 19.942 1.00 0.00 C
+ATOM 1511 NH1 ARG A 228 25.726 6.888 19.768 1.00 0.00 N
+ATOM 1512 NH2 ARG A 228 25.554 9.045 18.983 1.00 0.00 N
+ATOM 1513 N PRO A 229 24.577 11.307 24.771 1.00 16.03 N
+ATOM 1514 CA PRO A 229 23.897 10.729 25.918 1.00 13.68 C
+ATOM 1515 C PRO A 229 24.681 9.597 26.484 1.00 16.32 C
+ATOM 1516 O PRO A 229 25.484 9.008 25.768 1.00 13.87 O
+ATOM 1517 CB PRO A 229 22.565 10.197 25.409 1.00 17.06 C
+ATOM 1518 CG PRO A 229 22.320 10.967 24.107 1.00 0.00 C
+ATOM 1519 CD PRO A 229 23.731 11.161 23.544 1.00 0.00 C
+ATOM 1520 N THR A 230 24.434 9.308 27.766 1.00 12.12 N
+ATOM 1521 CA THR A 230 25.158 8.261 28.452 1.00 9.96 C
+ATOM 1522 C THR A 230 25.205 6.956 27.694 1.00 14.27 C
+ATOM 1523 O THR A 230 26.255 6.338 27.529 1.00 16.48 O
+ATOM 1524 CB THR A 230 24.621 8.036 29.890 1.00 26.87 C
+ATOM 1525 OG1 THR A 230 24.737 9.206 30.696 1.00 0.00 O
+ATOM 1526 CG2 THR A 230 25.250 6.874 30.666 1.00 0.00 C
+ATOM 1527 N ASP A 231 24.043 6.538 27.253 1.00 18.17 N
+ATOM 1528 CA ASP A 231 23.898 5.300 26.516 1.00 21.69 C
+ATOM 1529 C ASP A 231 24.698 5.303 25.220 1.00 20.46 C
+ATOM 1530 O ASP A 231 24.956 4.249 24.675 1.00 24.43 O
+ATOM 1531 CB ASP A 231 22.409 5.106 26.179 1.00 31.75 C
+ATOM 1532 CG ASP A 231 21.574 4.755 27.402 1.00 0.00 C
+ATOM 1533 OD1 ASP A 231 22.174 4.355 28.431 1.00 0.00 O
+ATOM 1534 OD2 ASP A 231 20.329 4.885 27.314 1.00 0.00 O
+ATOM 1535 N GLY A 232 25.041 6.481 24.700 1.00 11.24 N
+ATOM 1536 CA GLY A 232 25.784 6.580 23.468 1.00 12.29 C
+ATOM 1537 C GLY A 232 27.279 6.628 23.686 1.00 14.90 C
+ATOM 1538 O GLY A 232 28.028 6.832 22.742 1.00 11.16 O
+ATOM 1539 N ARG A 233 27.724 6.429 24.933 1.00 11.60 N
+ATOM 1540 CA ARG A 233 29.152 6.491 25.202 1.00 9.08 C
+ATOM 1541 C ARG A 233 29.781 5.121 25.302 1.00 10.02 C
+ATOM 1542 O ARG A 233 30.943 5.017 25.677 1.00 14.63 O
+ATOM 1543 CB ARG A 233 29.447 7.261 26.504 1.00 11.22 C
+ATOM 1544 CG ARG A 233 29.058 8.759 26.508 1.00 0.00 C
+ATOM 1545 CD ARG A 233 29.381 9.486 27.825 1.00 0.00 C
+ATOM 1546 NE ARG A 233 28.939 10.914 27.661 1.00 0.00 N
+ATOM 1547 CZ ARG A 233 29.100 11.842 28.614 1.00 0.00 C
+ATOM 1548 NH1 ARG A 233 28.672 13.077 28.362 1.00 0.00 N
+ATOM 1549 NH2 ARG A 233 29.667 11.564 29.783 1.00 0.00 N
+ATOM 1550 N ASP A 234 29.043 4.067 24.986 1.00 12.40 N
+ATOM 1551 CA ASP A 234 29.634 2.741 25.106 1.00 11.09 C
+ATOM 1552 C ASP A 234 30.704 2.387 24.096 1.00 14.28 C
+ATOM 1553 O ASP A 234 31.662 1.721 24.448 1.00 10.98 O
+ATOM 1554 CB ASP A 234 28.593 1.627 25.220 1.00 11.51 C
+ATOM 1555 CG ASP A 234 27.869 1.638 26.559 1.00 0.00 C
+ATOM 1556 OD1 ASP A 234 28.387 2.284 27.504 1.00 0.00 O
+ATOM 1557 OD2 ASP A 234 26.793 1.000 26.645 1.00 0.00 O
+ATOM 1558 N THR A 235 30.554 2.810 22.845 1.00 11.03 N
+ATOM 1559 CA THR A 235 31.600 2.474 21.885 1.00 10.40 C
+ATOM 1560 C THR A 235 32.921 3.072 22.356 1.00 12.00 C
+ATOM 1561 O THR A 235 33.953 2.389 22.393 1.00 12.23 O
+ATOM 1562 CB THR A 235 31.269 2.903 20.425 1.00 8.96 C
+ATOM 1563 OG1 THR A 235 30.107 2.248 19.923 1.00 0.00 O
+ATOM 1564 CG2 THR A 235 32.391 2.708 19.399 1.00 0.00 C
+ATOM 1565 N ALA A 236 32.882 4.352 22.711 1.00 10.95 N
+ATOM 1566 CA ALA A 236 34.083 5.029 23.213 1.00 10.76 C
+ATOM 1567 C ALA A 236 34.654 4.301 24.425 1.00 10.66 C
+ATOM 1568 O ALA A 236 35.877 4.089 24.557 1.00 10.36 O
+ATOM 1569 CB ALA A 236 33.794 6.493 23.528 1.00 10.79 C
+ATOM 1570 N THR A 237 33.727 3.892 25.310 1.00 11.13 N
+ATOM 1571 CA THR A 237 34.132 3.152 26.495 1.00 9.15 C
+ATOM 1572 C THR A 237 34.834 1.851 26.100 1.00 13.06 C
+ATOM 1573 O THR A 237 35.866 1.490 26.649 1.00 11.38 O
+ATOM 1574 CB THR A 237 32.938 2.823 27.395 1.00 10.93 C
+ATOM 1575 OG1 THR A 237 32.293 3.997 27.882 1.00 0.00 O
+ATOM 1576 CG2 THR A 237 33.235 1.923 28.599 1.00 0.00 C
+ATOM 1577 N ALA A 238 34.242 1.133 25.140 1.00 7.98 N
+ATOM 1578 CA ALA A 238 34.791 -0.124 24.655 1.00 9.95 C
+ATOM 1579 C ALA A 238 36.191 0.058 24.047 1.00 14.42 C
+ATOM 1580 O ALA A 238 37.091 -0.759 24.240 1.00 11.05 O
+ATOM 1581 CB ALA A 238 33.814 -0.764 23.660 1.00 8.86 C
+ATOM 1582 N VAL A 239 36.374 1.164 23.327 1.00 9.51 N
+ATOM 1583 CA VAL A 239 37.646 1.478 22.720 1.00 11.47 C
+ATOM 1584 C VAL A 239 38.661 1.781 23.798 1.00 11.77 C
+ATOM 1585 O VAL A 239 39.806 1.406 23.701 1.00 8.21 O
+ATOM 1586 CB VAL A 239 37.507 2.618 21.713 1.00 8.87 C
+ATOM 1587 CG1 VAL A 239 38.853 3.128 21.153 1.00 0.00 C
+ATOM 1588 CG2 VAL A 239 36.592 2.241 20.531 1.00 0.00 C
+ATOM 1589 N ILE A 240 38.225 2.455 24.843 1.00 11.00 N
+ATOM 1590 CA ILE A 240 39.147 2.717 25.946 1.00 12.11 C
+ATOM 1591 C ILE A 240 39.542 1.373 26.567 1.00 10.12 C
+ATOM 1592 O ILE A 240 40.679 1.159 26.966 1.00 10.00 O
+ATOM 1593 CB ILE A 240 38.558 3.685 26.968 1.00 11.09 C
+ATOM 1594 CG1 ILE A 240 38.373 5.125 26.425 1.00 0.00 C
+ATOM 1595 CG2 ILE A 240 39.278 3.667 28.335 1.00 0.00 C
+ATOM 1596 CD1 ILE A 240 37.540 6.038 27.340 1.00 0.00 C
+ATOM 1597 N SER A 241 38.614 0.407 26.597 1.00 10.21 N
+ATOM 1598 CA SER A 241 38.946 -0.927 27.116 1.00 10.50 C
+ATOM 1599 C SER A 241 40.046 -1.619 26.284 1.00 16.40 C
+ATOM 1600 O SER A 241 41.012 -2.206 26.800 1.00 10.22 O
+ATOM 1601 CB SER A 241 37.730 -1.840 27.222 1.00 11.77 C
+ATOM 1602 OG SER A 241 36.783 -1.380 28.195 1.00 0.00 O
+ATOM 1603 N ALA A 242 39.909 -1.548 24.954 1.00 13.32 N
+ATOM 1604 CA ALA A 242 40.936 -2.149 24.090 1.00 8.97 C
+ATOM 1605 C ALA A 242 42.308 -1.499 24.300 1.00 9.69 C
+ATOM 1606 O ALA A 242 43.337 -2.163 24.348 1.00 11.99 O
+ATOM 1607 CB ALA A 242 40.551 -1.960 22.616 1.00 9.24 C
+ATOM 1608 N LEU A 243 42.335 -0.157 24.361 1.00 9.81 N
+ATOM 1609 CA LEU A 243 43.597 0.546 24.525 1.00 9.53 C
+ATOM 1610 C LEU A 243 44.166 0.217 25.892 1.00 14.60 C
+ATOM 1611 O LEU A 243 45.363 0.088 26.072 1.00 14.41 O
+ATOM 1612 CB LEU A 243 43.439 2.071 24.395 1.00 10.80 C
+ATOM 1613 CG LEU A 243 43.081 2.635 22.999 1.00 0.00 C
+ATOM 1614 CD1 LEU A 243 42.800 4.142 23.085 1.00 0.00 C
+ATOM 1615 CD2 LEU A 243 44.210 2.437 21.977 1.00 0.00 C
+ATOM 1616 N ALA A 244 43.285 0.084 26.871 1.00 11.51 N
+ATOM 1617 CA ALA A 244 43.749 -0.236 28.210 1.00 15.15 C
+ATOM 1618 C ALA A 244 44.394 -1.612 28.216 1.00 15.37 C
+ATOM 1619 O ALA A 244 45.440 -1.845 28.831 1.00 13.28 O
+ATOM 1620 CB ALA A 244 42.595 -0.202 29.198 1.00 14.30 C
+ATOM 1621 N ALA A 245 43.746 -2.520 27.489 1.00 12.89 N
+ATOM 1622 CA ALA A 245 44.253 -3.873 27.374 1.00 12.41 C
+ATOM 1623 C ALA A 245 45.644 -3.869 26.736 1.00 23.09 C
+ATOM 1624 O ALA A 245 46.582 -4.531 27.190 1.00 16.74 O
+ATOM 1625 CB ALA A 245 43.274 -4.739 26.601 1.00 10.52 C
+ATOM 1626 N LEU A 246 45.770 -3.089 25.672 1.00 16.01 N
+ATOM 1627 CA LEU A 246 47.024 -2.945 24.957 1.00 15.21 C
+ATOM 1628 C LEU A 246 48.150 -2.364 25.820 1.00 23.57 C
+ATOM 1629 O LEU A 246 49.335 -2.575 25.580 1.00 20.66 O
+ATOM 1630 CB LEU A 246 46.829 -1.932 23.815 1.00 11.66 C
+ATOM 1631 CG LEU A 246 45.914 -2.349 22.640 1.00 0.00 C
+ATOM 1632 CD1 LEU A 246 45.710 -1.173 21.673 1.00 0.00 C
+ATOM 1633 CD2 LEU A 246 46.494 -3.516 21.826 1.00 0.00 C
+ATOM 1634 N HIS A 247 47.782 -1.566 26.802 1.00 14.27 N
+ATOM 1635 CA HIS A 247 48.772 -0.942 27.626 1.00 9.84 C
+ATOM 1636 C HIS A 247 48.942 -1.556 29.008 1.00 19.35 C
+ATOM 1637 O HIS A 247 49.526 -0.930 29.900 1.00 17.98 O
+ATOM 1638 CB HIS A 247 48.523 0.566 27.680 1.00 13.40 C
+ATOM 1639 CG HIS A 247 48.674 1.260 26.354 1.00 0.00 C
+ATOM 1640 ND1 HIS A 247 47.716 1.252 25.364 1.00 0.00 N
+ATOM 1641 CD2 HIS A 247 49.713 1.995 25.874 1.00 0.00 C
+ATOM 1642 CE1 HIS A 247 48.207 1.977 24.330 1.00 0.00 C
+ATOM 1643 NE2 HIS A 247 49.424 2.448 24.601 1.00 0.00 N
+ATOM 1644 N GLY A 248 48.481 -2.786 29.205 1.00 18.26 N
+ATOM 1645 CA GLY A 248 48.758 -3.420 30.488 1.00 20.23 C
+ATOM 1646 C GLY A 248 47.815 -3.204 31.658 1.00 21.46 C
+ATOM 1647 O GLY A 248 48.119 -3.633 32.758 1.00 16.63 O
+ATOM 1648 N ALA A 249 46.683 -2.583 31.445 1.00 13.45 N
+ATOM 1649 CA ALA A 249 45.749 -2.436 32.540 1.00 16.42 C
+ATOM 1650 C ALA A 249 45.326 -3.812 33.069 1.00 16.52 C
+ATOM 1651 O ALA A 249 45.227 -4.787 32.308 1.00 14.77 O
+ATOM 1652 CB ALA A 249 44.499 -1.658 32.126 1.00 15.20 C
+ATOM 1653 N TRP A 250 45.057 -3.868 34.382 1.00 11.08 N
+ATOM 1654 CA TRP A 250 44.602 -5.075 35.044 1.00 11.69 C
+ATOM 1655 C TRP A 250 43.135 -5.336 34.747 1.00 14.39 C
+ATOM 1656 O TRP A 250 42.707 -6.481 34.518 1.00 15.67 O
+ATOM 1657 CB TRP A 250 44.817 -4.969 36.571 1.00 15.54 C
+ATOM 1658 CG TRP A 250 44.407 -6.200 37.369 1.00 0.00 C
+ATOM 1659 CD1 TRP A 250 45.123 -7.334 37.638 1.00 0.00 C
+ATOM 1660 CD2 TRP A 250 43.120 -6.359 37.998 1.00 0.00 C
+ATOM 1661 CE2 TRP A 250 43.133 -7.621 38.632 1.00 0.00 C
+ATOM 1662 NE1 TRP A 250 44.359 -8.197 38.401 1.00 0.00 N
+ATOM 1663 CE3 TRP A 250 41.989 -5.534 38.064 1.00 0.00 C
+ATOM 1664 CZ3 TRP A 250 40.873 -5.997 38.774 1.00 0.00 C
+ATOM 1665 CH2 TRP A 250 40.887 -7.250 39.403 1.00 0.00 C
+ATOM 1666 CZ2 TRP A 250 42.020 -8.076 39.338 1.00 0.00 C
+ATOM 1667 N GLY A 251 42.350 -4.262 34.761 1.00 12.18 N
+ATOM 1668 CA GLY A 251 40.929 -4.411 34.495 1.00 12.11 C
+ATOM 1669 C GLY A 251 40.216 -3.127 34.072 1.00 12.60 C
+ATOM 1670 O GLY A 251 40.779 -2.041 34.067 1.00 10.73 O
+ATOM 1671 N VAL A 252 38.936 -3.259 33.719 1.00 9.80 N
+ATOM 1672 CA VAL A 252 38.139 -2.118 33.322 1.00 9.66 C
+ATOM 1673 C VAL A 252 36.789 -2.228 34.025 1.00 9.49 C
+ATOM 1674 O VAL A 252 36.243 -3.322 34.166 1.00 11.38 O
+ATOM 1675 CB VAL A 252 37.949 -2.010 31.788 1.00 12.29 C
+ATOM 1676 CG1 VAL A 252 37.064 -0.824 31.347 1.00 0.00 C
+ATOM 1677 CG2 VAL A 252 39.294 -1.926 31.040 1.00 0.00 C
+ATOM 1678 N ARG A 253 36.260 -1.087 34.454 1.00 10.82 N
+ATOM 1679 CA ARG A 253 34.997 -1.030 35.155 1.00 10.90 C
+ATOM 1680 C ARG A 253 34.029 -0.416 34.182 1.00 11.83 C
+ATOM 1681 O ARG A 253 34.202 0.738 33.808 1.00 10.52 O
+ATOM 1682 CB ARG A 253 35.145 -0.196 36.427 1.00 11.34 C
+ATOM 1683 CG ARG A 253 33.881 -0.080 37.312 1.00 0.00 C
+ATOM 1684 CD ARG A 253 34.092 0.731 38.602 1.00 0.00 C
+ATOM 1685 NE ARG A 253 32.789 0.715 39.352 1.00 0.00 N
+ATOM 1686 CZ ARG A 253 31.827 1.630 39.166 1.00 0.00 C
+ATOM 1687 NH1 ARG A 253 30.712 1.521 39.884 1.00 0.00 N
+ATOM 1688 NH2 ARG A 253 31.959 2.627 38.297 1.00 0.00 N
+ATOM 1689 N VAL A 254 33.013 -1.177 33.776 1.00 9.36 N
+ATOM 1690 CA VAL A 254 32.099 -0.673 32.758 1.00 10.08 C
+ATOM 1691 C VAL A 254 30.625 -0.964 32.979 1.00 12.20 C
+ATOM 1692 O VAL A 254 30.258 -1.923 33.677 1.00 13.68 O
+ATOM 1693 CB VAL A 254 32.500 -1.349 31.434 1.00 13.94 C
+ATOM 1694 CG1 VAL A 254 33.936 -1.020 30.971 1.00 0.00 C
+ATOM 1695 CG2 VAL A 254 32.339 -2.881 31.491 1.00 0.00 C
+ATOM 1696 N HIS A 255 29.782 -0.170 32.314 1.00 12.72 N
+ATOM 1697 CA HIS A 255 28.328 -0.394 32.375 1.00 11.61 C
+ATOM 1698 C HIS A 255 27.875 -1.432 31.345 1.00 15.37 C
+ATOM 1699 O HIS A 255 27.082 -2.313 31.645 1.00 16.37 O
+ATOM 1700 CB HIS A 255 27.520 0.876 32.133 1.00 11.40 C
+ATOM 1701 CG HIS A 255 27.628 1.891 33.238 1.00 0.00 C
+ATOM 1702 ND1 HIS A 255 27.038 1.751 34.476 1.00 0.00 N
+ATOM 1703 CD2 HIS A 255 28.282 3.082 33.259 1.00 0.00 C
+ATOM 1704 CE1 HIS A 255 27.355 2.855 35.194 1.00 0.00 C
+ATOM 1705 NE2 HIS A 255 28.113 3.693 34.488 1.00 0.00 N
+ATOM 1706 N ASP A 256 28.366 -1.312 30.118 1.00 11.52 N
+ATOM 1707 CA ASP A 256 28.019 -2.226 29.019 1.00 8.26 C
+ATOM 1708 C ASP A 256 29.110 -3.256 28.887 1.00 12.95 C
+ATOM 1709 O ASP A 256 30.151 -3.022 28.273 1.00 12.09 O
+ATOM 1710 CB ASP A 256 27.954 -1.431 27.699 1.00 10.93 C
+ATOM 1711 CG ASP A 256 27.529 -2.292 26.518 1.00 0.00 C
+ATOM 1712 OD1 ASP A 256 27.410 -3.529 26.703 1.00 0.00 O
+ATOM 1713 OD2 ASP A 256 27.320 -1.717 25.423 1.00 0.00 O
+ATOM 1714 N VAL A 257 28.871 -4.382 29.530 1.00 11.87 N
+ATOM 1715 CA VAL A 257 29.812 -5.456 29.558 1.00 10.53 C
+ATOM 1716 C VAL A 257 30.134 -6.026 28.169 1.00 11.24 C
+ATOM 1717 O VAL A 257 31.293 -6.213 27.786 1.00 9.48 O
+ATOM 1718 CB VAL A 257 29.297 -6.526 30.520 1.00 15.06 C
+ATOM 1719 CG1 VAL A 257 30.112 -7.837 30.494 1.00 0.00 C
+ATOM 1720 CG2 VAL A 257 29.228 -6.017 31.973 1.00 0.00 C
+ATOM 1721 N ARG A 258 29.075 -6.349 27.439 1.00 10.63 N
+ATOM 1722 CA ARG A 258 29.229 -6.929 26.101 1.00 7.14 C
+ATOM 1723 C ARG A 258 30.158 -6.120 25.251 1.00 12.36 C
+ATOM 1724 O ARG A 258 31.088 -6.658 24.637 1.00 13.66 O
+ATOM 1725 CB ARG A 258 27.897 -6.983 25.392 1.00 11.50 C
+ATOM 1726 CG ARG A 258 27.904 -7.628 23.985 1.00 0.00 C
+ATOM 1727 CD ARG A 258 26.553 -7.551 23.255 1.00 0.00 C
+ATOM 1728 NE ARG A 258 26.251 -6.095 23.035 1.00 0.00 N
+ATOM 1729 CZ ARG A 258 26.797 -5.377 22.044 1.00 0.00 C
+ATOM 1730 NH1 ARG A 258 26.459 -4.094 21.941 1.00 0.00 N
+ATOM 1731 NH2 ARG A 258 27.653 -5.907 21.176 1.00 0.00 N
+ATOM 1732 N ALA A 259 29.914 -4.815 25.242 1.00 10.03 N
+ATOM 1733 CA ALA A 259 30.742 -3.927 24.450 1.00 10.16 C
+ATOM 1734 C ALA A 259 32.232 -4.031 24.796 1.00 12.58 C
+ATOM 1735 O ALA A 259 33.080 -4.184 23.903 1.00 11.35 O
+ATOM 1736 CB ALA A 259 30.166 -2.517 24.446 1.00 9.82 C
+ATOM 1737 N SER A 260 32.569 -3.962 26.093 1.00 6.70 N
+ATOM 1738 CA SER A 260 33.968 -4.062 26.470 1.00 8.20 C
+ATOM 1739 C SER A 260 34.530 -5.461 26.261 1.00 11.98 C
+ATOM 1740 O SER A 260 35.694 -5.628 25.928 1.00 14.20 O
+ATOM 1741 CB SER A 260 34.285 -3.470 27.850 1.00 8.71 C
+ATOM 1742 OG SER A 260 33.652 -4.193 28.915 1.00 0.00 O
+ATOM 1743 N VAL A 261 33.712 -6.496 26.463 1.00 8.90 N
+ATOM 1744 CA VAL A 261 34.195 -7.849 26.239 1.00 10.19 C
+ATOM 1745 C VAL A 261 34.477 -8.041 24.737 1.00 13.22 C
+ATOM 1746 O VAL A 261 35.471 -8.655 24.343 1.00 12.73 O
+ATOM 1747 CB VAL A 261 33.199 -8.890 26.782 1.00 16.23 C
+ATOM 1748 CG1 VAL A 261 33.556 -10.348 26.420 1.00 0.00 C
+ATOM 1749 CG2 VAL A 261 33.028 -8.789 28.311 1.00 0.00 C
+ATOM 1750 N ASP A 262 33.588 -7.496 23.904 1.00 12.32 N
+ATOM 1751 CA ASP A 262 33.756 -7.567 22.454 1.00 12.72 C
+ATOM 1752 C ASP A 262 35.111 -6.969 22.065 1.00 15.56 C
+ATOM 1753 O ASP A 262 35.917 -7.580 21.318 1.00 11.44 O
+ATOM 1754 CB ASP A 262 32.624 -6.769 21.760 1.00 12.45 C
+ATOM 1755 CG ASP A 262 31.273 -7.462 21.861 1.00 0.00 C
+ATOM 1756 OD1 ASP A 262 31.257 -8.679 22.174 1.00 0.00 O
+ATOM 1757 OD2 ASP A 262 30.248 -6.779 21.625 1.00 0.00 O
+ATOM 1758 N ALA A 263 35.379 -5.764 22.633 1.00 9.66 N
+ATOM 1759 CA ALA A 263 36.619 -5.044 22.368 1.00 8.57 C
+ATOM 1760 C ALA A 263 37.844 -5.854 22.724 1.00 14.45 C
+ATOM 1761 O ALA A 263 38.829 -5.875 21.991 1.00 13.14 O
+ATOM 1762 CB ALA A 263 36.665 -3.687 23.069 1.00 12.72 C
+ATOM 1763 N ILE A 264 37.757 -6.511 23.883 1.00 14.29 N
+ATOM 1764 CA ILE A 264 38.831 -7.345 24.387 1.00 16.87 C
+ATOM 1765 C ILE A 264 39.073 -8.552 23.491 1.00 17.28 C
+ATOM 1766 O ILE A 264 40.210 -8.917 23.166 1.00 15.07 O
+ATOM 1767 CB ILE A 264 38.628 -7.706 25.861 1.00 17.15 C
+ATOM 1768 CG1 ILE A 264 38.748 -6.494 26.820 1.00 0.00 C
+ATOM 1769 CG2 ILE A 264 39.476 -8.908 26.335 1.00 0.00 C
+ATOM 1770 CD1 ILE A 264 38.278 -6.781 28.256 1.00 0.00 C
+ATOM 1771 N LYS A 265 37.989 -9.160 23.063 1.00 12.50 N
+ATOM 1772 CA LYS A 265 38.124 -10.295 22.151 1.00 14.18 C
+ATOM 1773 C LYS A 265 38.848 -9.860 20.860 1.00 14.33 C
+ATOM 1774 O LYS A 265 39.727 -10.564 20.332 1.00 13.94 O
+ATOM 1775 CB LYS A 265 36.752 -10.874 21.812 1.00 13.77 C
+ATOM 1776 CG LYS A 265 36.038 -11.622 22.958 1.00 0.00 C
+ATOM 1777 CD LYS A 265 34.653 -12.165 22.560 1.00 0.00 C
+ATOM 1778 CE LYS A 265 33.957 -12.893 23.718 1.00 0.00 C
+ATOM 1779 NZ LYS A 265 32.635 -13.357 23.309 1.00 0.00 N
+ATOM 1780 N VAL A 266 38.496 -8.660 20.365 1.00 9.63 N
+ATOM 1781 CA VAL A 266 39.134 -8.148 19.150 1.00 10.61 C
+ATOM 1782 C VAL A 266 40.644 -7.980 19.356 1.00 18.23 C
+ATOM 1783 O VAL A 266 41.487 -8.405 18.556 1.00 14.30 O
+ATOM 1784 CB VAL A 266 38.531 -6.811 18.641 1.00 12.92 C
+ATOM 1785 CG1 VAL A 266 39.327 -6.163 17.488 1.00 0.00 C
+ATOM 1786 CG2 VAL A 266 37.062 -6.966 18.200 1.00 0.00 C
+ATOM 1787 N VAL A 267 40.995 -7.304 20.445 1.00 12.38 N
+ATOM 1788 CA VAL A 267 42.388 -7.052 20.727 1.00 11.25 C
+ATOM 1789 C VAL A 267 43.148 -8.358 20.789 1.00 13.26 C
+ATOM 1790 O VAL A 267 44.230 -8.500 20.225 1.00 14.16 O
+ATOM 1791 CB VAL A 267 42.578 -6.294 22.031 1.00 11.23 C
+ATOM 1792 CG1 VAL A 267 44.050 -6.186 22.485 1.00 0.00 C
+ATOM 1793 CG2 VAL A 267 41.975 -4.877 21.973 1.00 0.00 C
+ATOM 1794 N GLU A 268 42.575 -9.326 21.482 1.00 11.02 N
+ATOM 1795 CA GLU A 268 43.248 -10.594 21.615 1.00 13.42 C
+ATOM 1796 C GLU A 268 43.357 -11.322 20.291 1.00 16.00 C
+ATOM 1797 O GLU A 268 44.373 -11.958 20.012 1.00 14.23 O
+ATOM 1798 CB GLU A 268 42.537 -11.513 22.612 1.00 18.60 C
+ATOM 1799 CG GLU A 268 42.611 -11.076 24.103 1.00 0.00 C
+ATOM 1800 CD GLU A 268 41.848 -11.960 25.093 1.00 0.00 C
+ATOM 1801 OE1 GLU A 268 41.144 -12.862 24.568 1.00 0.00 O
+ATOM 1802 OE2 GLU A 268 41.952 -11.757 26.326 1.00 0.00 O
+ATOM 1803 N ALA A 269 42.304 -11.246 19.485 1.00 15.72 N
+ATOM 1804 CA ALA A 269 42.379 -11.895 18.198 1.00 14.42 C
+ATOM 1805 C ALA A 269 43.415 -11.196 17.326 1.00 13.90 C
+ATOM 1806 O ALA A 269 44.220 -11.828 16.648 1.00 16.88 O
+ATOM 1807 CB ALA A 269 41.013 -11.924 17.545 1.00 11.21 C
+ATOM 1808 N TRP A 270 43.431 -9.879 17.345 1.00 8.90 N
+ATOM 1809 CA TRP A 270 44.381 -9.160 16.531 1.00 12.12 C
+ATOM 1810 C TRP A 270 45.806 -9.371 17.009 1.00 19.59 C
+ATOM 1811 O TRP A 270 46.704 -9.767 16.266 1.00 14.71 O
+ATOM 1812 CB TRP A 270 44.025 -7.670 16.532 1.00 13.11 C
+ATOM 1813 CG TRP A 270 44.955 -6.782 15.715 1.00 0.00 C
+ATOM 1814 CD1 TRP A 270 46.019 -6.031 16.131 1.00 0.00 C
+ATOM 1815 CD2 TRP A 270 44.839 -6.591 14.291 1.00 0.00 C
+ATOM 1816 CE2 TRP A 270 45.875 -5.707 13.916 1.00 0.00 C
+ATOM 1817 NE1 TRP A 270 46.581 -5.379 15.050 1.00 0.00 N
+ATOM 1818 CE3 TRP A 270 43.949 -7.100 13.336 1.00 0.00 C
+ATOM 1819 CZ3 TRP A 270 44.115 -6.706 12.001 1.00 0.00 C
+ATOM 1820 CH2 TRP A 270 45.144 -5.829 11.631 1.00 0.00 C
+ATOM 1821 CZ2 TRP A 270 46.036 -5.320 12.587 1.00 0.00 C
+ATOM 1822 N MET A 271 46.034 -9.088 18.275 1.00 15.74 N
+ATOM 1823 CA MET A 271 47.370 -9.216 18.833 1.00 17.36 C
+ATOM 1824 C MET A 271 47.938 -10.622 18.875 1.00 20.78 C
+ATOM 1825 O MET A 271 49.161 -10.796 18.923 1.00 22.31 O
+ATOM 1826 CB MET A 271 47.486 -8.493 20.186 1.00 18.29 C
+ATOM 1827 CG MET A 271 47.414 -6.949 20.136 1.00 0.00 C
+ATOM 1828 SD MET A 271 48.733 -6.291 19.065 1.00 0.00 S
+ATOM 1829 CE MET A 271 50.176 -6.768 20.067 1.00 0.00 C
+ATOM 1830 N GLY A 272 47.069 -11.625 18.859 1.00 17.23 N
+ATOM 1831 CA GLY A 272 47.586 -12.970 18.894 1.00 20.87 C
+ATOM 1832 C GLY A 272 47.728 -13.599 17.501 1.00 37.49 C
+ATOM 1833 O GLY A 272 48.086 -14.769 17.389 1.00 38.21 O
+ATOM 1834 N ALA A 273 47.437 -12.858 16.424 1.00 34.23 N
+ATOM 1835 CA ALA A 273 47.491 -13.459 15.091 1.00 32.09 C
+ATOM 1836 C ALA A 273 48.831 -13.749 14.460 1.00 49.37 C
+ATOM 1837 O ALA A 273 49.139 -13.268 13.373 1.00 41.22 O
+ATOM 1838 CB ALA A 273 46.446 -13.005 14.097 1.00 25.29 C
+ATOM 1839 N GLU A 274 49.588 -14.581 15.169 1.00 62.46 N
+ATOM 1840 CA GLU A 274 50.896 -15.088 14.785 1.00 83.06 C
+ATOM 1841 C GLU A 274 51.547 -14.223 13.729 1.00 87.84 C
+ATOM 1842 O GLU A 274 52.334 -14.744 12.946 1.00 62.86 O
+ATOM 1843 CB GLU A 274 50.811 -16.546 14.279 1.00 83.10 C
+ATOM 1844 CG GLU A 274 50.413 -17.607 15.344 1.00 0.00 C
+ATOM 1845 CD GLU A 274 50.307 -19.049 14.839 1.00 0.00 C
+ATOM 1846 OE1 GLU A 274 50.435 -19.187 13.594 1.00 0.00 O
+ATOM 1847 OE2 GLU A 274 50.109 -19.985 15.649 1.00 0.00 O
+TER 1848 GLU A 274
+END
diff --git a/doc/tests/data/gly.pdb b/doc/tests/data/gly.pdb
new file mode 100644
index 0000000000000000000000000000000000000000..7dbca0fed0df28863adf1ccfc63e22ba313e37d5
--- /dev/null
+++ b/doc/tests/data/gly.pdb
@@ -0,0 +1,81 @@
+ATOM 1 N GLY A 1 -11.301 11.863 12.812 1.00 46.35 N
+ATOM 2 CA GLY A 1 -10.174 12.241 13.713 1.00 45.84 C
+ATOM 3 C GLY A 1 -9.595 11.051 14.465 1.00 44.35 C
+ATOM 4 O GLY A 1 -10.219 9.989 14.526 1.00 46.54 O
+ATOM 9 N GLY A 2 -8.383 11.240 14.995 1.00 42.02 N
+ATOM 10 CA GLY A 2 -7.611 10.243 15.755 1.00 39.04 C
+ATOM 11 C GLY A 2 -7.093 9.042 14.960 1.00 35.73 C
+ATOM 12 O GLY A 2 -7.875 8.322 14.336 1.00 35.25 O
+ATOM 18 N GLY A 3 -5.757 8.838 14.934 1.00 32.59 N
+ATOM 19 CA GLY A 3 -5.167 7.704 14.210 1.00 30.22 C
+ATOM 20 C GLY A 3 -5.475 6.389 14.924 1.00 28.03 C
+ATOM 21 O GLY A 3 -5.774 6.389 16.125 1.00 25.91 O
+ATOM 25 N GLY A 4 -5.434 5.288 14.176 1.00 26.73 N
+ATOM 26 CA GLY A 4 -5.705 3.960 14.726 1.00 26.95 C
+ATOM 27 C GLY A 4 -4.622 3.524 15.706 1.00 27.12 C
+ATOM 28 O GLY A 4 -3.426 3.545 15.366 1.00 27.18 O
+ATOM 35 N GLY A 5 -5.020 3.161 16.948 1.00 27.05 N
+ATOM 36 CA GLY A 5 -4.064 2.725 17.976 1.00 26.49 C
+ATOM 37 C GLY A 5 -3.515 1.307 17.792 1.00 25.98 C
+ATOM 38 O GLY A 5 -2.801 0.795 18.659 1.00 26.77 O
+ATOM 42 N GLY A 6 -3.807 0.705 16.641 1.00 23.73 N
+ATOM 43 CA GLY A 6 -3.371 -0.650 16.363 1.00 22.05 C
+ATOM 44 C GLY A 6 -2.311 -0.858 15.292 1.00 21.12 C
+ATOM 45 O GLY A 6 -1.814 -1.970 15.124 1.00 19.47 O
+ATOM 56 N GLY A 7 -1.980 0.191 14.544 1.00 22.58 N
+ATOM 57 CA GLY A 7 -0.962 0.055 13.501 1.00 20.39 C
+ATOM 58 C GLY A 7 0.393 0.457 14.047 1.00 22.27 C
+ATOM 59 O GLY A 7 0.645 1.639 14.340 1.00 22.00 O
+ATOM 67 N GLY A 8 1.271 -0.539 14.140 1.00 21.40 N
+ATOM 68 CA GLY A 8 2.612 -0.344 14.678 1.00 21.91 C
+ATOM 69 C GLY A 8 3.734 -0.393 13.645 1.00 22.34 C
+ATOM 70 O GLY A 8 4.910 -0.258 13.998 1.00 24.21 O
+ATOM 78 N GLY A 9 3.365 -0.539 12.371 1.00 20.22 N
+ATOM 79 CA GLY A 9 4.342 -0.585 11.293 1.00 20.67 C
+ATOM 80 C GLY A 9 5.264 -1.780 11.345 1.00 20.79 C
+ATOM 81 O GLY A 9 4.834 -2.874 11.700 1.00 19.22 O
+ATOM 82 N GLY A 10 6.545 -1.555 11.072 1.00 20.29 N
+ATOM 83 CA GLY A 10 7.521 -2.635 11.071 1.00 22.16 C
+ATOM 84 C GLY A 10 8.055 -3.014 12.464 1.00 23.01 C
+ATOM 85 O GLY A 10 9.266 -3.098 12.676 1.00 23.84 O
+ATOM 91 N GLY A 11 7.141 -3.248 13.409 1.00 24.30 N
+ATOM 92 CA GLY A 11 7.527 -3.666 14.757 1.00 23.54 C
+ATOM 93 C GLY A 11 7.811 -5.171 14.643 1.00 23.07 C
+ATOM 94 O GLY A 11 7.027 -5.913 14.030 1.00 23.44 O
+ATOM 99 N GLY A 12 9.005 -5.608 15.082 1.00 23.03 N
+ATOM 100 CA GLY A 12 9.328 -7.039 15.000 1.00 23.30 C
+ATOM 101 C GLY A 12 8.373 -7.936 15.805 1.00 22.52 C
+ATOM 102 O GLY A 12 7.733 -7.476 16.760 1.00 21.80 O
+ATOM 106 N GLY A 13 8.271 -9.196 15.382 1.00 22.06 N
+ATOM 107 CA GLY A 13 7.433 -10.219 16.020 1.00 22.83 C
+ATOM 108 C GLY A 13 7.699 -10.347 17.529 1.00 24.10 C
+ATOM 109 O GLY A 13 6.768 -10.261 18.334 1.00 23.86 O
+ATOM 117 N GLY A 14 8.974 -10.480 17.898 1.00 22.59 N
+ATOM 118 CA GLY A 14 9.386 -10.612 19.299 1.00 23.66 C
+ATOM 119 C GLY A 14 9.109 -9.356 20.121 1.00 23.97 C
+ATOM 120 O GLY A 14 8.824 -9.445 21.320 1.00 21.85 O
+ATOM 122 N GLY A 15 9.149 -8.199 19.455 1.00 23.41 N
+ATOM 123 CA GLY A 15 8.880 -6.917 20.103 1.00 25.09 C
+ATOM 124 C GLY A 15 7.378 -6.717 20.320 1.00 23.56 C
+ATOM 125 O GLY A 15 6.968 -6.064 21.278 1.00 23.45 O
+ATOM 131 N GLY A 16 6.569 -7.318 19.442 1.00 21.80 N
+ATOM 132 CA GLY A 16 5.106 -7.272 19.532 1.00 20.39 C
+ATOM 133 C GLY A 16 4.711 -8.157 20.718 1.00 20.37 C
+ATOM 134 O GLY A 16 3.856 -7.788 21.511 1.00 18.06 O
+ATOM 136 N GLY A 17 5.429 -9.273 20.876 1.00 20.11 N
+ATOM 137 CA GLY A 17 5.215 -10.213 21.983 1.00 21.59 C
+ATOM 138 C GLY A 17 5.492 -9.561 23.332 1.00 22.42 C
+ATOM 139 O GLY A 17 4.665 -9.622 24.238 1.00 23.01 O
+ATOM 145 N GLY A 18 6.639 -8.890 23.414 1.00 24.69 N
+ATOM 146 CA GLY A 18 7.114 -8.182 24.603 1.00 26.91 C
+ATOM 147 C GLY A 18 6.147 -7.077 25.056 1.00 26.71 C
+ATOM 148 O GLY A 18 5.800 -7.000 26.231 1.00 27.59 O
+ATOM 154 N GLY A 19 5.683 -6.273 24.099 1.00 25.69 N
+ATOM 155 CA GLY A 19 4.764 -5.161 24.348 1.00 25.99 C
+ATOM 156 C GLY A 19 3.375 -5.643 24.772 1.00 23.81 C
+ATOM 157 O GLY A 19 2.828 -5.155 25.769 1.00 24.09 O
+ATOM 162 N GLY A 20 2.830 -6.601 24.019 1.00 19.41 N
+ATOM 163 CA GLY A 20 1.496 -7.148 24.282 1.00 21.16 C
+ATOM 164 C GLY A 20 1.366 -8.006 25.540 1.00 20.66 C
+ATOM 165 O GLY A 20 0.301 -8.035 26.151 1.00 20.51 O
+END
\ No newline at end of file
diff --git a/doc/tests/scripts/action_test.py b/doc/tests/scripts/action_test.py
new file mode 100644
index 0000000000000000000000000000000000000000..d0fafdf37da2b15c9d88187bfe76b409a00d3ea8
--- /dev/null
+++ b/doc/tests/scripts/action_test.py
@@ -0,0 +1,19 @@
+import sys
+
+# this is needed so there will be no test_actions.pyc created in the source
+# directory
+sys.dont_write_bytecode = True
+
+import test_actions
+
+class HelpActionTests(test_actions.ActionTestCase):
+ def __init__(self, *args, **kwargs):
+ test_actions.ActionTestCase.__init__(self, *args, **kwargs)
+ self.pm_action = 'help'
+
+ def testExit0(self):
+ self.RunExitStatusTest(0, list())
+
+if __name__ == "__main__":
+ from ost import testutils
+ testutils.RunTests()
diff --git a/doc/tests/scripts/action_test_verbose.py b/doc/tests/scripts/action_test_verbose.py
new file mode 100644
index 0000000000000000000000000000000000000000..f00a803cc438710ae071e2fd1280fbb86dc7526f
--- /dev/null
+++ b/doc/tests/scripts/action_test_verbose.py
@@ -0,0 +1,19 @@
+import sys
+
+# this is needed so there will be no test_actions.pyc created in the source
+# directory
+sys.dont_write_bytecode = True
+
+import test_actions
+
+class HelpActionTests(test_actions.ActionTestCase):
+ def __init__(self, *args, **kwargs):
+ test_actions.ActionTestCase.__init__(self, *args, **kwargs)
+ self.pm_action = 'help'
+
+ def testExit0(self):
+ self.RunExitStatusTest(0, list(), verbose=True)
+
+if __name__ == "__main__":
+ from ost import testutils
+ testutils.RunTests()
diff --git a/doc/tests/scripts/modelling_all.py b/doc/tests/scripts/modelling_all.py
index cc448cee971446d6cf398a3ab1b873971652838a..ae0d12ccde3bdd7869d7b2a69a2f8836874f606f 100644
--- a/doc/tests/scripts/modelling_all.py
+++ b/doc/tests/scripts/modelling_all.py
@@ -9,4 +9,4 @@ mhandle = modelling.BuildRawModel(aln)
# build final model
final_model = modelling.BuildFromRawModel(mhandle)
-io.SavePDB(final_model, 'model.pdb')
\ No newline at end of file
+io.SavePDB(final_model, 'model.pdb')
diff --git a/doc/tests/scripts/modelling_close_small_deletions.py b/doc/tests/scripts/modelling_close_small_deletions.py
new file mode 100644
index 0000000000000000000000000000000000000000..c11ff7998c13d6c45dcf20da446d50212ea1e2be
--- /dev/null
+++ b/doc/tests/scripts/modelling_close_small_deletions.py
@@ -0,0 +1,14 @@
+from ost import io, seq
+from promod3 import modelling
+
+# setup
+tpl = io.LoadPDB('data/gly.pdb')
+aln = seq.CreateAlignment(seq.CreateSequence('trg', 'GGG-GGG'),
+ seq.CreateSequence('tpl', 'GGGAGGG'))
+aln.AttachView(1, tpl.CreateFullView())
+mhandle = modelling.BuildRawModel(aln)
+# close small deletion
+print 'Number of gaps before: %d' % len(mhandle.gaps)
+scorer = modelling.SetupBackboneScorer(mhandle)
+modelling.CloseSmallDeletions(mhandle, scorer)
+print 'Number of gaps after: %d' % len(mhandle.gaps)
diff --git a/doc/tests/scripts/modelling_fill_loops_by_database.py b/doc/tests/scripts/modelling_fill_loops_by_database.py
new file mode 100644
index 0000000000000000000000000000000000000000..ed3035b30125a56fb0975c2fd66b4983f050e2e4
--- /dev/null
+++ b/doc/tests/scripts/modelling_fill_loops_by_database.py
@@ -0,0 +1,18 @@
+from ost import io, seq
+from promod3 import modelling, loop
+
+# setup
+tpl = io.LoadPDB('data/1crn_cut.pdb')
+seq_trg = 'TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN'
+seq_tpl = 'TTCCPSIVARSNFNVCRLPGTPEA------GCIIIPGATCPGDYAN'
+aln = seq.CreateAlignment(seq.CreateSequence('trg', seq_trg),
+ seq.CreateSequence('tpl', seq_tpl))
+aln.AttachView(1, tpl.CreateFullView())
+mhandle = modelling.BuildRawModel(aln)
+# merge gaps
+print 'Number of gaps before: %d' % len(mhandle.gaps)
+scorer = modelling.SetupBackboneScorer(mhandle)
+modelling.FillLoopsByDatabase(mhandle, scorer, loop.LoadFragDB(),
+ loop.LoadStructureDB(),
+ loop.LoadTorsionSamplerCoil())
+print 'Number of gaps after: %d' % len(mhandle.gaps)
diff --git a/doc/tests/scripts/modelling_fill_loops_by_monte_carlo.py b/doc/tests/scripts/modelling_fill_loops_by_monte_carlo.py
new file mode 100644
index 0000000000000000000000000000000000000000..184f6bfc22b0369b2e20613a1cb8721621dfa9d1
--- /dev/null
+++ b/doc/tests/scripts/modelling_fill_loops_by_monte_carlo.py
@@ -0,0 +1,17 @@
+from ost import io, seq
+from promod3 import modelling, loop
+
+# setup
+tpl = io.LoadPDB('data/1crn_cut.pdb')
+seq_trg = 'TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN'
+seq_tpl = 'TTCCPSIVARSNFNVCRLPGTPEA------GCIIIPGATCPGDYAN'
+aln = seq.CreateAlignment(seq.CreateSequence('trg', seq_trg),
+ seq.CreateSequence('tpl', seq_tpl))
+aln.AttachView(1, tpl.CreateFullView())
+mhandle = modelling.BuildRawModel(aln)
+# merge gaps
+print 'Number of gaps before: %d' % len(mhandle.gaps)
+scorer = modelling.SetupBackboneScorer(mhandle)
+modelling.FillLoopsByMonteCarlo(mhandle, scorer,
+ loop.LoadTorsionSamplerCoil())
+print 'Number of gaps after: %d' % len(mhandle.gaps)
diff --git a/doc/tests/scripts/modelling_merge_gaps_by_distance.py b/doc/tests/scripts/modelling_merge_gaps_by_distance.py
new file mode 100644
index 0000000000000000000000000000000000000000..1606d30d3813c3f67c6e1ee3caf70e3a0ec84e7e
--- /dev/null
+++ b/doc/tests/scripts/modelling_merge_gaps_by_distance.py
@@ -0,0 +1,15 @@
+from ost import io, seq
+from promod3 import modelling
+
+# setup
+tpl = io.LoadPDB('data/1crn_cut.pdb')
+seq_trg = 'TTCCPSIVARSNFNVCRLPGTPEAICATGYTCIIIPGATCPGDYAN'
+seq_tpl = 'TTCCPSIVARSNFNVCRLPGTPEA----G--CIIIPGATCPGDYAN'
+aln = seq.CreateAlignment(seq.CreateSequence('trg', seq_trg),
+ seq.CreateSequence('tpl', seq_tpl))
+aln.AttachView(1, tpl.CreateFullView())
+mhandle = modelling.BuildRawModel(aln)
+# merge gaps
+print 'Number of gaps before: %d' % len(mhandle.gaps)
+modelling.MergeGapsByDistance(mhandle, 0)
+print 'Number of gaps after: %d' % len(mhandle.gaps)
diff --git a/doc/tests/scripts/modelling_steps.py b/doc/tests/scripts/modelling_steps.py
new file mode 100644
index 0000000000000000000000000000000000000000..7877c1f3840f5581c61540dac34ec3e0e1f1d008
--- /dev/null
+++ b/doc/tests/scripts/modelling_steps.py
@@ -0,0 +1,34 @@
+from ost import io
+from promod3 import modelling, loop
+
+# setup
+merge_distance = 4
+fragment_db = loop.LoadFragDB()
+structure_db = loop.LoadStructureDB()
+torsion_sampler = loop.LoadTorsionSamplerCoil()
+
+# get raw model
+tpl = io.LoadPDB('data/1crn_cut.pdb')
+aln = io.LoadAlignment('data/1crn.fasta')
+aln.AttachView(1, tpl.CreateFullView())
+mhandle = modelling.BuildRawModel(aln)
+
+# perform loop modelling to close all gaps
+scorer = modelling.SetupBackboneScorer(mhandle)
+modelling.CloseSmallDeletions(mhandle, scorer)
+modelling.RemoveTerminalGaps(mhandle)
+for distance in range(merge_distance):
+ modelling.MergeGapsByDistance(mhandle, distance)
+ modelling.FillLoopsByDatabase(mhandle, scorer, fragment_db,
+ structure_db, torsion_sampler)
+# if above fails on some gaps, use Monte Carlo
+if len(mhandle.gaps) > 0:
+ modelling.FillLoopsByMonteCarlo(mhandle, scorer, torsion_sampler)
+# build sidechains
+modelling.BuildSidechains(mhandle)
+# minimize energy of final model using molecular mechanics
+modelling.MinimizeModelEnergy(mhandle)
+
+# extract final model
+final_model = mhandle.model
+io.SavePDB(final_model, 'model.pdb')
\ No newline at end of file
diff --git a/doc/tests/scripts/unittest_sidechain.py b/doc/tests/scripts/unittest_sidechain.py
new file mode 100644
index 0000000000000000000000000000000000000000..65452ad64636191635200bb117cbadba574409fc
--- /dev/null
+++ b/doc/tests/scripts/unittest_sidechain.py
@@ -0,0 +1,19 @@
+import unittest
+from promod3 import sidechain
+from ost import io,mol
+import os
+
+class ReconstructTests(unittest.TestCase):
+ def testReconstruct(self):
+ in_file = os.path.join('data', '1eye.pdb')
+ ref_file = os.path.join('data', '1eye_rec.pdb')
+ # get and reconstruct 1eye
+ prot = io.LoadPDB(in_file)
+ sidechain.Reconstruct(prot, keep_sidechains=False)
+ # compare with reference solution
+ prot_rec = io.LoadPDB(ref_file)
+ self.assertEqual(prot.GetAtomCount(), prot_rec.GetAtomCount())
+
+if __name__ == "__main__":
+ from ost import testutils
+ testutils.RunTests()
diff --git a/doc/tests/test_doctests.py b/doc/tests/test_doctests.py
index ebc37a579c8a5b9fc4608cab27cc8526d051a55f..7d65f8e5d7865c75f7fa4255d48d85f2319c692e 100644
--- a/doc/tests/test_doctests.py
+++ b/doc/tests/test_doctests.py
@@ -13,15 +13,30 @@ import subprocess
from ost import io
class DocTests(unittest.TestCase):
- ################################################################
+
def compareLines(self, expected, actual):
- '''Compare expected and actual, line-by-line ignoring whitespace.'''
+ """Compare expected and actual, line-by-line ignoring whitespace."""
lines_expected = expected.splitlines()
lines_actual = actual.splitlines()
self.assertEqual(len(lines_expected), len(lines_actual))
for (le, la) in zip(lines_expected, lines_actual):
self.assertEqual(le, la)
+ def runPM(self, script_path, arguments=[]):
+ """Run script with pm and given arguments.
+ Returns tuple (return-code, stdout, stderr).
+ """
+ # get pm binary
+ bld_dir = os.path.abspath(os.path.dirname(os.path.dirname(os.getcwd())))
+ pm_bin = os.path.join(bld_dir, 'stage', 'bin', 'pm')
+ # launch it
+ cmd = [pm_bin, script_path] + arguments
+ job = subprocess.Popen(cmd, stdout=subprocess.PIPE,
+ stderr=subprocess.PIPE)
+ sout, serr = job.communicate()
+ return job.returncode, sout, serr
+
+
def checkPMRun(self, script_name, arguments=[], expect_rcode=0,
expect_stdout=None, expect_stderr=None):
"""
@@ -36,22 +51,72 @@ class DocTests(unittest.TestCase):
console output. If given, it is checked line-by-line, while ignoring
whitespace for each line.
"""
- # get pm binary
- bld_dir = os.path.abspath(os.path.dirname(os.path.dirname(os.getcwd())))
- pm_bin = os.path.join(bld_dir, 'stage', 'bin', 'pm')
- # launch it
- script_path = os.path.join('scripts', script_name)
- cmd = [pm_bin, script_path] + arguments
- job = subprocess.Popen(cmd, stdout=subprocess.PIPE,
- stderr=subprocess.PIPE)
- sout, serr = job.communicate()
+ # run it
+ rcode, sout, serr = self.runPM(os.path.join('scripts', script_name),
+ arguments)
# check return value
- self.assertEqual(expect_rcode, job.returncode)
+ self.assertEqual(expect_rcode, rcode)
# check cmd.line-out if desired
if expect_stdout is not None:
self.compareLines(expect_stdout, sout)
if expect_stderr is not None:
self.compareLines(expect_stderr, serr)
+
+ ################################################################
+
+ def testAction(self):
+ # we want to ensure that no test_actions.pyc file is created
+ cur_dir = os.getcwd()
+ pyc_file = os.path.join(cur_dir, 'scripts', 'test_actions.pyc')
+ if os.path.exists(pyc_file):
+ os.remove(pyc_file)
+ # to emulate action tests, change to actions folder
+ os.chdir("../actions")
+ # run it
+ rcode, sout, serr = self.runPM(os.path.join(cur_dir, 'scripts',
+ 'action_test.py'))
+ # check return code and last line of output
+ self.assertEqual(0, rcode)
+ out_lines = serr.splitlines()
+ self.assertEqual('OK', out_lines[-1])
+ # go back to proper folder (important!)
+ os.chdir(cur_dir)
+ # check that no pyc file was created
+ self.assertFalse(os.path.exists(pyc_file))
+
+ def testActionVerbose(self):
+ # to emulate action tests, change to actions folder
+ cur_dir = os.getcwd()
+ os.chdir("../actions")
+ # run it
+ rcode, sout, serr = self.runPM(os.path.join(cur_dir, 'scripts',
+ 'action_test_verbose.py'))
+ # check return code and parts of output
+ self.assertEqual(0, rcode)
+ out_lines = serr.splitlines()
+ self.assertRegexpMatches(out_lines[0], "stdout of '.*pm help'")
+ self.assertEqual(out_lines[1], "------")
+ line_nr = 2
+ while not out_lines[line_nr] == "------":
+ line_nr += 1
+ self.assertGreater(line_nr, 2)
+ self.assertRegexpMatches(out_lines[line_nr+1], "stderr of '.*pm help'")
+ self.assertEqual(out_lines[line_nr+2], "------")
+ self.assertEqual(out_lines[line_nr+3], "------")
+ # go back to proper folder (important!)
+ os.chdir(cur_dir)
+
+ ################################################################
+
+ def testUnittestSidechain(self):
+ # run it
+ script_path = os.path.join('scripts', 'unittest_sidechain.py')
+ rcode, sout, serr = self.runPM(script_path)
+ # check return code and last line of output
+ self.assertEqual(0, rcode)
+ out_lines = serr.splitlines()
+ self.assertEqual('OK', out_lines[-1])
+
################################################################
def testModellingAll(self):
@@ -62,6 +127,42 @@ class DocTests(unittest.TestCase):
# clean up
os.remove('model.pdb')
+ def testModellingSteps(self):
+ # run it
+ self.checkPMRun('modelling_steps.py', [], 0)
+ # check that result exists and is readable
+ io.LoadPDB('model.pdb')
+ # clean up
+ os.remove('model.pdb')
+
+ def testModellingCloseSmallDeletions(self):
+ # run it
+ self.checkPMRun('modelling_close_small_deletions.py', [], 0,
+ 'Number of gaps before: 1\n'+
+ 'Number of gaps after: 0')
+
+ def testModellingMergeGapsByDistance(self):
+ # run it
+ self.checkPMRun('modelling_merge_gaps_by_distance.py', [], 0,
+ 'Number of gaps before: 2\n'+
+ 'Number of gaps after: 1')
+
+ def testModellingFillLoopsByDatabase(self):
+ # run it
+ self.checkPMRun('modelling_fill_loops_by_database.py', [], 0,
+ 'Number of gaps before: 1\n'+
+ 'Number of gaps after: 0')
+
+ def testModellingFillLoopsByMonteCarlo(self):
+ # run it
+ self.checkPMRun('modelling_fill_loops_by_monte_carlo.py', [], 0,
+ 'Number of gaps before: 1\n'+
+ 'Number of gaps after: 0')
+
+ ################################################################
+
+
+
if __name__ == "__main__":
from ost import testutils
testutils.RunTests()
diff --git a/modelling/doc/index.rst b/modelling/doc/index.rst
index 1554883f97e3dceb039069e4f1cc14bc470846c1..7043c4248b3ff1cac259dd020f6657356471d668 100644
--- a/modelling/doc/index.rst
+++ b/modelling/doc/index.rst
@@ -12,7 +12,8 @@ the desired target sequence.
A protein homology modelling pipeline then has the following main steps:
- Build a raw model from the template (see :func:`BuildRawModel` function)
-- Perform loop modelling to close all gaps (see :func:`FillLoopsByDatabase` and :func:`FillLoopsByMonteCarlo` function)
+- Perform loop modelling to close all gaps (see :func:`FillLoopsByDatabase`
+ and :func:`FillLoopsByMonteCarlo` function)
- Build sidechains (see :func:`BuildSidechains` function)
- Minimize energy of final model using molecular mechanics
(see :func:`MinimizeModelEnergy` function)
@@ -23,47 +24,10 @@ a full protein homology modelling pipeline as follows:
.. literalinclude:: ../../../tests/doc/scripts/modelling_all.py
-.. TODO (GT) .. literalinclude:: modelling_all.py
-
If you want to run and tweak the internal steps, you can start with the
following code which is equivalent to the example above:
-.. code-block:: python
-
- from ost import io
- from promod3 import modelling
-
- # setup
- merge_distance = 4
- fragment_db = loop.LoadFragDB()
- structure_db = loop.LoadStructureDB()
- torsion_sampler = loop.LoadTorsionSamplerCoil()
-
- # get raw model
- tpl = io.LoadPDB('data/1crn_cut.pdb')
- aln = io.LoadAlignment('data/1crn.fasta')
- aln.AttachView(1, tpl.CreateFullView())
- mhandle = modelling.BuildRawModel(aln)
-
- # perform loop modelling to close all gaps
- scorer = modelling.SetupBackboneScorer(mhandle)
- modelling.CloseSmallDeletions(mhandle, scorer)
- modelling.RemoveTerminalGaps(mhandle)
- for distance in range(merge_distance):
- modelling.MergeGapsByDistance(mhandle, distance)
- modelling.FillLoopsByDatabase(mhandle, scorer, fragment_db,
- structure_db, torsion_sampler)
- # if above fails on some gaps, use Monte Carlo
- if len(mhandle.gaps) > 0:
- modelling.FillLoopsByMonteCarlo(mhandle, scorer, torsion_sampler)
- # build sidechains
- modelling.BuildSidechains(mhandle)
- # minimize energy of final model using molecular mechanics
- modelling.MinimizeModelEnergy(mhandle)
-
- # extract final model
- final_model = mhandle.model
- io.SavePDB(final_model, 'model.pdb')
+.. literalinclude:: ../../../tests/doc/scripts/modelling_steps.py
Modelling Pipeline
diff --git a/modelling/pymod/_closegaps.py b/modelling/pymod/_closegaps.py
index ab78c84de12efbe611ff343d02727d847830955e..772b64c9eee391e312d38f379ab33cdceffd518e 100644
--- a/modelling/pymod/_closegaps.py
+++ b/modelling/pymod/_closegaps.py
@@ -37,34 +37,7 @@ def CloseSmallDeletions(mhandle, scorer, extension_steps=9, clash_thresh=1.0,
Closed gaps are removed from :attr:`mhandle.gaps`.
- .. testcode:: closesmalldel
- :hide:
-
- from promod3 import modelling
- from promod3 import loop
-
- tpl = ost.io.LoadPDB('../tests/modelling/data/gly.pdb')
- aln = ost.seq.CreateAlignment(ost.seq.CreateSequence('trg', 'GGG-GGG'),
- ost.seq.CreateSequence('tpl', 'GGGAGGG'))
- aln.AttachView(1, tpl.CreateFullView())
- mhandle = modelling.BuildRawModel(aln)
- assert len(mhandle.gaps) == 1
- scorer = modelling.SetupBackboneScorer(mhandle)
- modelling.CloseSmallDeletions(mhandle, scorer)
- assert len(mhandle.gaps) == 0
-
- .. doctest:: closesmalldel
-
- import ost
- from promod3 import modelling
- from promod3 import loop
-
- tpl = ost.io.LoadPDB('gly.pdb')
- aln = ost.io.LoadAlignment('seq.fasta')
- aln.AttachView(1, tpl.CreateFullView())
- mhandle = modelling.BuildRawModel(aln)
- scorer = modelling.SetupBackboneScorer(mhandle)
- modelling.CloseSmallDeletions(mhandle, scorer)
+ .. literalinclude:: ../../../tests/doc/scripts/modelling_close_small_deletions.py
:param mhandle: Modelling handle on which to apply change.
:type mhandle: :class:`ModellingHandle`
@@ -173,32 +146,7 @@ def MergeGapsByDistance(mhandle, distance):
stretch of original gaps and the deleted region. Original gaps will be
removed. Stem residues count to the gap, so **A-A-A** has a distance of 0.
- .. testcode:: mergegapsbydist
- :hide:
-
- from promod3 import modelling
-
- tpl = ost.io.LoadPDB('../tests/modelling/data/1mcg.pdb')
- aln = ost.seq.CreateAlignment(ost.seq.CreateSequence('trg',
- 'DDFAGDTKNLGHN'),
- ost.seq.CreateSequence('tpl',
- 'NN----A----LF'))
- aln.AttachView(1, tpl.CreateFullView())
- mhandle = modelling.BuildRawModel(aln)
- assert len(mhandle.gaps) == 2
- modelling.MergeGapsByDistance(mhandle, 0)
- assert len(mhandle.gaps) == 1
-
- .. doctest:: mergegapsbydist
-
- import ost
- from promod3 import modelling
-
- tpl = ost.io.LoadPDB('1mcg.pdb')
- aln = ost.io.LoadAlignment('1mcg_aln.fasta')
- aln.AttachView(1, tpl.CreateFullView())
- mhandle = modelling.BuildRawModel(aln)
- modelling.MergeGapsByDistance(mhandle, 0)
+ .. literalinclude:: ../../../tests/doc/scripts/modelling_merge_gaps_by_distance.py
:param mhandle: Modelling handle on which to apply change.
:type mhandle: :class:`ModellingHandle`
@@ -250,42 +198,7 @@ def FillLoopsByDatabase(mhandle, scorer, fragment_db, structure_db,
residues.
This function cannot fill gaps at C- or N-terminal.
- .. testcode:: fillloopsbydb
- :hide:
-
- from promod3 import modelling
- from promod3 import loop
-
- tpl = ost.io.LoadPDB('../tests/modelling/data/2dbs.pdb')
- aln = ost.seq.CreateAlignment(
- ost.seq.CreateSequence('trg', 'TLNGFTVPAGNTLV--LNPDKGATVTMA'),
- ost.seq.CreateSequence('tpl', 'NGGTLLIPNGTYHFLGIQMKSNVHIRVE'))
-
-
- aln.AttachView(1, tpl.CreateFullView())
- mhandle = modelling.BuildRawModel(aln)
- assert len(mhandle.gaps) == 1
- scorer = modelling.SetupBackboneScorer(mhandle)
- modelling.FillLoopsByDatabase(mhandle, scorer, loop.LoadFragDB(),
- loop.LoadStructureDB(),
- loop.LoadTorsionSamplerCoil())
- assert len(mhandle.gaps) == 0
-
- .. doctest:: fillloopsbydb
-
- from promod3 import modelling
- from promod3 import loop
-
- tpl = io.LoadPDB('2dbs.pdb')
- aln = ost.io.LoadAlignment('2dbs.fasta')
- aln.AttachView(1, tpl.CreateFullView())
-
- mhandle = modelling.BuildRawModel(aln)
- scorer = modelling.SetupBackboneScorer(mhandle)
- modelling.FillLoopsByDatabase(mhandle, scorer,
- loop.LoadFragDB(),
- loop.LoadStructureDB(),
- loop.LoadTorsionSamplerCoil())
+ .. literalinclude:: ../../../tests/doc/scripts/modelling_fill_loops_by_database.py
:param mhandle: Modelling handle on which to apply change.
:type mhandle: :class:`ModellingHandle`
@@ -581,19 +494,7 @@ def FillLoopsByMonteCarlo(mhandle, scorer, torsion_sampler, max_loops_to_search=
more loop candidates to be found.
This function cannot fill gaps at C- or N-terminal.
- .. doctest:: fillloopsbymc
-
- from promod3 import modelling
- from promod3 import loop
-
- tpl = io.LoadPDB('2dbs.pdb')
- aln = ost.io.LoadAlignment('2dbs.fasta')
- aln.AttachView(1, tpl.CreateFullView())
-
- mhandle = modelling.BuildRawModel(aln)
- scorer = modelling.SetupBackboneScorer(mhandle)
- modelling.FillLoopsByMonteCarlo(mhandle, scorer,
- loop.LoadTorsionSamplerCoil())
+ .. literalinclude:: ../../../tests/doc/scripts/modelling_fill_loops_by_monte_carlo.py
:param mhandle: Modelling handle on which to apply change.
:type mhandle: :class:`ModellingHandle`