[med-svn] [btk-core] 11/15: New upstream version 0.8.1
Andreas Tille
tille at debian.org
Sun Dec 24 22:56:55 UTC 2017
This is an automated email from the git hooks/post-receive script.
tille pushed a commit to branch master
in repository btk-core.
commit cdd09b112a73362d7a25d5668506633db97739eb
Author: Andreas Tille <tille at debian.org>
Date: Sun Dec 24 23:37:40 2017 +0100
New upstream version 0.8.1
---
AUTHORS | 21 +
COPYING | 463 +
ChangeLog | 0
HACKING | 231 +
INSTALL | 105 +
Makefile.am | 7 +
Makefile.in | 428 +
NEWS | 73 +
README | 73 +
acinclude.m4 | 304 +
aclocal.m4 | 1140 ++
btk/Makefile.am | 1 +
btk/Makefile.in | 322 +
btk/core/Makefile.am | 100 +
btk/core/Makefile.in | 630 +
btk/core/algorithms/predicates.hpp | 152 +
btk/core/algorithms/properties.hpp | 89 +
btk/core/algorithms/rmsd.cpp | 134 +
btk/core/algorithms/rmsd.hpp | 647 +
btk/core/algorithms/selections.hpp | 77 +
btk/core/algorithms/transforms.hpp | 212 +
btk/core/atoms/atom.hpp | 279 +
btk/core/atoms/default_atom_dictionary.hpp | 37 +
btk/core/atoms/pdb_atom.hpp | 38 +
btk/core/atoms/pdb_atom_decorator.hpp | 282 +
btk/core/common/assertions.cpp | 70 +
btk/core/common/assertions.hpp | 84 +
btk/core/common/debugging.hpp | 51 +
btk/core/common/exceptions.hpp | 115 +
btk/core/concepts/atom_concept.hpp | 299 +
btk/core/concepts/atom_iterable_concept.hpp | 258 +
btk/core/concepts/atom_iterator_concept.hpp | 94 +
btk/core/concepts/atomic_structure_concept.hpp | 232 +
btk/core/concepts/btk_container_concept.hpp | 49 +
btk/core/concepts/chain_concept.hpp | 49 +
btk/core/concepts/chain_iterable_concept.hpp | 90 +
btk/core/concepts/chain_iterator_concept.hpp | 55 +
btk/core/concepts/chemically_typed_concept.hpp | 324 +
btk/core/concepts/monomer_concept.hpp | 89 +
btk/core/concepts/monomer_iterable_concept.hpp | 90 +
btk/core/concepts/monomer_iterator_concept.hpp | 55 +
btk/core/concepts/polymer_structure_concept.hpp | 87 +
btk/core/concepts/system_concept.hpp | 77 +
btk/core/concepts/type_id_concept.hpp | 47 +
btk/core/concepts/type_system_concept.hpp | 82 +
btk/core/config/btk_config.hpp | 112 +
btk/core/config/btk_core_config.h | 121 +
btk/core/config/config.h.in | 65 +
btk/core/config/depcomp | 436 +
btk/core/config/install-sh | 251 +
btk/core/config/missing | 336 +
btk/core/config/mkinstalldirs | 101 +
btk/core/elements/default_element_dictionary.cpp | 154 +
btk/core/elements/default_element_dictionary.hpp | 50 +
btk/core/elements/element_types.hpp | 200 +
btk/core/io/cached_logger.cpp | 45 +
btk/core/io/cached_logger.hpp | 74 +
btk/core/io/default_type_system.hpp | 84 +
btk/core/io/dictionary.hpp | 207 +
btk/core/io/filter_logger.hpp | 60 +
btk/core/io/logger.cpp | 51 +
btk/core/io/logger.hpp | 114 +
btk/core/io/logger_level.hpp | 124 +
btk/core/io/logger_stream.hpp | 84 +
btk/core/io/logging.hpp | 55 +
btk/core/io/pdb_file_parser.hpp | 765 +
btk/core/io/pdb_system.hpp | 166 +
btk/core/io/type_system.hpp | 97 +
btk/core/io/type_system_proxy.hpp | 133 +
btk/core/math/btk_matrix.hpp | 93 +
btk/core/math/btk_vector.hpp | 99 +
btk/core/math/common_functions.hpp | 76 +
btk/core/math/constants.hpp | 46 +
btk/core/math/linear_algebra.cpp | 149 +
btk/core/math/linear_algebra.hpp | 140 +
btk/core/math/rotation.cpp | 97 +
btk/core/math/rotation.hpp | 115 +
btk/core/math/vector_math.cpp | 74 +
btk/core/math/vector_math.hpp | 115 +
btk/core/molecules/atomic_structure.hpp | 254 +
btk/core/molecules/chain.hpp | 146 +
btk/core/molecules/default_monomer_dictionary.hpp | 34 +
.../molecules/default_structure_dictionary.hpp | 34 +
btk/core/molecules/molecule.hpp | 138 +
btk/core/molecules/monomer.hpp | 181 +
btk/core/molecules/polymer.hpp | 312 +
btk/core/molecules/polymer_structure.hpp | 227 +
btk/core/molecules/system.hpp | 357 +
btk/core/molecules/system_base.hpp | 189 +
btk/core/utility/btk_container.hpp | 198 +
btk/core/utility/btk_sequence.hpp | 111 +
btk/core/utility/chemically_typed_object.hpp | 158 +
btk/core/utility/grouped_element_iterator.hpp | 382 +
btk/core/utility/type_id.hpp | 110 +
btk/core/utility/type_id_traits.hpp | 67 +
configure | 5705 ++++++++
configure.ac | 50 +
debian/changelog | 24 -
debian/compat | 1 -
debian/control | 24 -
debian/copyright | 29 -
debian/docs | 3 -
debian/libbtk-core-dev.examples | 3 -
debian/libbtk-core-dev.install | 2 -
debian/patches/00list | 2 -
debian/patches/100-Makefile.am.dpatch | 16 -
debian/patches/100-btk_core_Makefile.am.dpatch | 31 -
debian/rmsd.1 | 53 -
debian/rules | 94 -
debian/transform_structure.1 | 22 -
debian/watch | 3 -
examples/Makefile.am | 9 +
examples/Makefile.in | 358 +
examples/contact_order.cpp | 87 +
examples/gyration_radius.cpp | 74 +
examples/rmsd.cpp | 306 +
examples/transform_structure.cpp | 86 +
tests/Makefile.am | 45 +
tests/Makefile.in | 516 +
tests/atomic_structure_tests.hpp | 129 +
tests/btk_container_tests.hpp | 173 +
tests/chain_tests.hpp | 42 +
tests/multi_model_test.pdb | 13791 +++++++++++++++++++
tests/polymer_structure_tests.hpp | 113 +
tests/system_tests.hpp | 136 +
tests/test.pdb | 1417 ++
tests/test.short.pdb | 33 +
tests/test_atoms.cpp | 155 +
tests/test_btk_container.cpp | 58 +
tests/test_common.hpp | 59 +
tests/test_dictionary.cpp | 85 +
tests/test_grouped_iterator.cpp | 160 +
tests/test_molecule.cpp | 61 +
tests/test_monomer.cpp | 60 +
tests/test_pdb_output.cpp | 99 +
tests/test_pdb_system.cpp | 231 +
tests/test_polymer.cpp | 32 +
tests/test_system.cpp | 54 +
tests/test_vector_geometry.cpp | 67 +
139 files changed, 40120 insertions(+), 307 deletions(-)
diff --git a/AUTHORS b/AUTHORS
new file mode 100644
index 0000000..1411bf6
--- /dev/null
+++ b/AUTHORS
@@ -0,0 +1,21 @@
+BTK - the Biomolecule ToolKit
+=============================
+
+Developers:
+----------
+
+Tim Robertson (kid50 at users.sourceforge.net)
+Chris Saunders (ctsa at users.sourceforge.net)
+
+Alumni:
+------
+
+Alex Morozov (morozov at u.washington.edu)
+Eric Alm (ejalm at users.sourceforge.net)
+Jeff Gray (jjgray at users.sourceforge.net)
+
+Contributors:
+------------
+
+Erik Kruus (kruus at kruus.homeip.net) - Compilation fixes for gcc 3.2
+Bosco Ho (apposite at gmail.com) - RMSD algorithm documentation
diff --git a/COPYING b/COPYING
new file mode 100644
index 0000000..6d35858
--- /dev/null
+++ b/COPYING
@@ -0,0 +1,463 @@
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+Such new versions will be similar in spirit to the present version,
+but may differ in detail to address new problems or concerns.
+
+Each version is given a distinguishing version number. If the Library
+specifies a version number of this License which applies to it and
+"any later version", you have the option of following the terms and
+conditions either of that version or of any later version published by
+the Free Software Foundation. If the Library does not specify a
+license version number, you may choose any version ever published by
+the Free Software Foundation.
+
+ 14. If you wish to incorporate parts of the Library into other free
+programs whose distribution conditions are incompatible with these,
+write to the author to ask for permission. For software which is
+copyrighted by the Free Software Foundation, write to the Free
+Software Foundation; we sometimes make exceptions for this. Our
+decision will be guided by the two goals of preserving the free status
+of all derivatives of our free software and of promoting the sharing
+and reuse of software generally.
+
+ NO WARRANTY
+
+ 15. BECAUSE THE LIBRARY IS LICENSED FREE OF CHARGE, THERE IS NO
+WARRANTY FOR THE LIBRARY, TO THE EXTENT PERMITTED BY APPLICABLE LAW.
+EXCEPT WHEN OTHERWISE STATED IN WRITING THE COPYRIGHT HOLDERS AND/OR
+OTHER PARTIES PROVIDE THE LIBRARY "AS IS" WITHOUT WARRANTY OF ANY
+KIND, EITHER EXPRESSED OR IMPLIED, INCLUDING, BUT NOT LIMITED TO, THE
+IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+PURPOSE. THE ENTIRE RISK AS TO THE QUALITY AND PERFORMANCE OF THE
+LIBRARY IS WITH YOU. SHOULD THE LIBRARY PROVE DEFECTIVE, YOU ASSUME
+THE COST OF ALL NECESSARY SERVICING, REPAIR OR CORRECTION.
+
+ 16. IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN
+WRITING WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MAY MODIFY
+AND/OR REDISTRIBUTE THE LIBRARY AS PERMITTED ABOVE, BE LIABLE TO YOU
+FOR DAMAGES, INCLUDING ANY GENERAL, SPECIAL, INCIDENTAL OR
+CONSEQUENTIAL DAMAGES ARISING OUT OF THE USE OR INABILITY TO USE THE
+LIBRARY (INCLUDING BUT NOT LIMITED TO LOSS OF DATA OR DATA BEING
+RENDERED INACCURATE OR LOSSES SUSTAINED BY YOU OR THIRD PARTIES OR A
+FAILURE OF THE LIBRARY TO OPERATE WITH ANY OTHER SOFTWARE), EVEN IF
+SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE POSSIBILITY OF SUCH
+DAMAGES.
diff --git a/ChangeLog b/ChangeLog
new file mode 100644
index 0000000..e69de29
diff --git a/HACKING b/HACKING
new file mode 100644
index 0000000..ea03d77
--- /dev/null
+++ b/HACKING
@@ -0,0 +1,231 @@
+Hacking The BTK
+===============
+
+1) Get the code:
+----------------
+
+So, you want to start hacking the BTK, eh? Good for you. The first thing
+you should do, since the project is under heavy development at the moment,
+is to pull down the most current code from the project SVN archive. If you
+hack on a release version of the code, and end up submitting patches to an
+old code base, it makes it hard on us, and your patch may never get properly
+integrated. So, do us a favor, do yourself a favor, and always get the
+latest code from our Subversion repository. Here's what you'll need to do
+to get the source:
+
+1a) Get the Boost library
+
+This version of the BTK depends on components from the Boost library,
+version 1.33 or later. Boost is always freely available from
+http://www.boost.org.
+
+1b) Get the BTK source
+
+Once you've logged in and obtained the Boost library, pull down the latest BTK
+source code using your favorite Subversion client:
+
+svn co https://svn.sourceforge.net/svnroot/btk_core btk_core
+
+This command will grab the entire subversion tree for the BTK project,
+(including branches, tags and currently-unreleased projects), and place them
+in a directory named "btk" in your working directory. If you only
+want the trunk of the btk_core library, use this command:
+
+svn co https://svn.sourceforge.net/svnroot/btk/btk_core/trunk btk_core
+
+This is just an overview. For more information (on sourceforge, subversion,
+source code revision managment, etc.) look here:
+
+http://sourceforge.net/svn/?group_id=28435
+
+2) Compile the code:
+-------------------
+
+We won't say too much about this here. See the INSTALL file. One warning:
+this *is* a C++ project, and we make use of many standard C++ features. So,
+you'll need a recent C++ compiler, along with a current standard C++ library
+(including the STL). We currently use the following compilers and platforms for
+development:
+
+Mac OS X (10.3): g++ 3.2 (the default compiler), g++ 4.0 (MUCH faster compiles!)
+Linux: g++ 3.3
+
+Other compilers may work (if they're reasonably standards-compliant), but sadly,
+we don't have the time or equipment to support them ourselves. If you find the
+BTK useful, and would like to make it work with your favorite platform/compiler,
+we would love to have your help!
+
+3) Familiarize yourself with the code:
+-------------------------------------
+
+Again, there's not much to say here, other than you should go through the
+code, try to compile the example applications, and maybe attempt to develop
+a few of your own. We're starting to put together some design documents,
+and we'll only be adding more documentation in the future. When it
+happens, it'll all be posted at the project website:
+
+http://btk.sourceforge.net
+
+Also, we'll be happy to accept any and all documentation/comment patches
+that you're willing to prepare. So, if you're the type who comments code
+as you figure it out, we would be happy to take advantage of you.
+
+4) Talk to the developers:
+-------------------------
+
+If you think you've found a bug, or you have a feature you want to
+implement, or you just see something wrong that you want to fix, come by
+the btk development website at:
+
+http://www.sourceforge.net/projects/btk
+
+and see if anyone else is already working on the same thing. If not, send
+an email to one of the project maintainers, and let us know what you're
+working on. That way, we can devote our time to the other things that need
+fixing. Also, if you're really interested, request to be added to the btk
+developer mailing list by going to:
+
+http://lists.sourceforge.net/lists/listinfo/btk-developers
+
+and filling out the subscription form. It's a private list, but if you're
+willing to develop code, we'll be glad to add you.
+
+5) Conform to the standards:
+---------------------------
+
+At the moment the coding standards are informal (and perhaps not
+universally applied--yet!), but they do exist. Among the most important:
+
+Naming conventions:
+------------------
+
+Filenames are lower-case only, with words separated by underscores. Valid
+extensions for c++ source files are *.hpp and *.cpp.
+
+Make variable and function names long enough to be descriptive. We aren't
+using FORTRAN--there's no need to be stingy with characters.
+
+Class names are mixed-case, no word spacing, with the first letter of
+the class name and the first letter of each word in a name made
+upper-case. For example: Molecule, System, PDBSystem
+
+Functions, and variables are all lower-case, with words separated by
+underscores. For example: temp_var, rotate_vector, calc_dihedral
+
+Class member variables are to be prefixed with an underscore, and follow
+the naming convention for regular variable names: _sequence, _pos, _flag
+
+Constants, enum names, and macros are to be all-caps, with words separated
+by underscores: PI, ALA, BIG_IMPORTANT_MACRO()
+
+Coding conventions:
+------------------
+
+COMMENT YOUR CODE.
+
+Given a choice between Cleverness and Clarity, choose Clarity.
+
+Adopt the 90/10 rule as your new religion: before you "optimize" something,
+realize that it probably doesn't need optimization. If it does, talk to
+someone first -- there's probably a better way to "optimize."
+
+Don't create global variables.
+
+Don't put data in the public interface of classes.
+
+Use std::string instead of char *!!!
+
+Use iostreams instead of C-style IO.
+
+Use the standard library. Use the STL.
+
+Use the Boost library whenever practical.
+
+Never return raw, non-const pointers from functions.
+(std::auto_ptr<> classes, on the other hand, are OK.)
+
+Specify unsigned when you know a value is never negative.
+
+Use const. Be const correct. Declare your functions const when
+appropriate.
+
+Use const values and inline functions, instead of macros.
+
+Don't put using declarations in header files, unless they're
+scoped by blocks or functions. (In other words: don't pollute the global
+namespace).
+
+When you can avoid #including a header, don't. Use forward declarations
+liberally (you will learn to appreciate the compile speed benefits).
+
+Documentation Conventions:
+-------------------------
+
+Comment your code!!!
+
+Use C++-style comments instead of C-style comments.
+
+Document your functions, classes and files with doxygen comments. If you
+don't know how to use doxygen, go to:
+
+http://www.stack.nl/~dimitri/doxygen/manual.html
+
+which explains the whole thing. Alternatively, look around at some of the
+other files in the source tree that have been properly doxygenated for
+example comments.
+
+6) MAKE SURE IT BUILDS!
+-----------------------
+
+The number one, most important rule of distributed development is:
+
+NEVER BREAK THE BUILD!!
+
+If you break the build, you are a bad person.
+
+As such, make sure your code compiles from a clean directory BEFORE
+you check it in. If there are example applications in your code,
+make sure they build and link too. If there are test harnesses, make
+sure they build and run to completion.
+
+Since we use the GNU build tools, you'll need to take a few extra steps
+in order to build the code, especially if you're using SVN code. From
+a newly-downloaded SVN version of the BTK, the following commands will
+setup, configure and build everything:
+
+autoreconf (or alternatively: aclocal, autoconf, autoheader, automake)
+./configure
+make
+
+All of the above applies to patch submitters. If your patch causes the
+build to break, we probably won't spend much time looking at it, and it
+will never be included.
+
+7) Make sure it runs.
+--------------------
+
+Self-explanatory. Please do debug your own changes, and if test harnesses
+exist, run them on your code. If necessary, write new test harnesses to
+test your code (submit these, too!)
+
+8) Hand it over:
+---------------
+
+Once you've made your fantastic change to the BTK, formatted it, compiled
+it and tested it and made sure it runs, it's time to submit.
+
+If you're a project developer: commit your changes to the repository
+directly. One caveat: if your change is large, consider tagging the
+repository BEFORE committing the change. Use your best judgment.
+
+If you're a patch submitter: generate a patch to the CURRENT SVN TREE using
+diff, gzip the patch, and submit it to the patch manager at the BTK
+development site (http://www.sourceforge.net/projects/btk, then click on
+"patches"). Make sure you tell us your name and email address, so that we
+can add you to the AUTHORS file!
+
+9) Lather, Rinse, Repeat:
+------------------------
+
+That was easy, wasn't it? Yes! It was! Feel the power!
+Focus it. Use it. Hack some more.
diff --git a/INSTALL b/INSTALL
new file mode 100644
index 0000000..bc5fa29
--- /dev/null
+++ b/INSTALL
@@ -0,0 +1,105 @@
+Installation Requirements
+=========================
+
+NOTE: This is a developer release of the Biomolecule Tool Kit (BTK) core
+ library. Please be aware that the library is still under development,
+ and that features, interfaces and implementation details can and will
+ change in future releases.
+
+The BTK is a standards-compliant C++ library. It makes use of many
+features of the C++ standard, and as such, you will need a relatively
+modern C++ compiler and implementation of the C++ standard library.
+In particular, the following platforms and compilers are known to work
+with the BTK:
+
+Linux: g++ 3.3.x (esp as packaged with Fedora Core 1)
+Mac OS X: g++ 3.3 (esp. as packaged with OS X 10.3), g++ 4.0
+
+These represent our primary development platforms, and are
+well-supported. Other reasonably current C++ compilers may also work,
+but have not been evaluated.
+
+The build process is dependent upon the GNU build tools, including GNU
+make, GNU autoconf and GNU automake.
+
+The BTK makes use of components in the Boost C++ library, freely
+available at http://www.boost.org. Boost version 1.33 (the most
+current at the time of this release) was used for development. Other
+versions of the boost library may also work, but have not been tested.
+
+
+Build Process
+=============
+
+To build this library, unpack the distribution tarball to a directory:
+
+tar -zxvf btk_core.tar.gz
+
+and change to the 'btk_core' directory that is created. Once there,
+use the standard GNU autoconf/automake build procedure:
+
+./configure
+make
+make install (optional)
+
+By default, the library will install to the /usr/local/ directory
+tree. As with other GNU packages, you can change the final install
+location by using the "--prefix" option to configure:
+
+./configure --prefix=/your/install/dir
+make
+make install
+
+If the configure script fails to find your boost library installation
+(it will look in the directory specified by the BOOST_ROOT environment
+variable), use the "--boost-root" option to explicitly specify its
+location:
+
+./configure --boost-root=/your/boost/dir
+make
+make install
+
+If all goes well, a static library will be created, and this library
+will be used to build several test applications (found in the
+"btk_core/tests" directory), as well as several example applications
+(found in the "btk_core/examples" directory).
+
+
+Known Problems
+==============
+
+* The version of g++ distributed with Mac OS X 10.3.x (g++ version 3.3
+20030304) contains a bug in its ABI implementation that causes
+compilation problems in code that uses the boost uBLAS library. To
+work around this problem, either add -fabi-version=0 to the flags
+passed to g++, or uncomment the SET_GCC_ABI_VERSION macro in the
+btk_core/configure.ac file, and regenerate the configure script using
+GNU autoconf.
+
+
+Documentation
+=============
+
+Currently, there is little formal documentation for the library.
+However, the Doxygen code documentation tool (http://doxygen.org) may
+be used to generate library documentation directly from the C++
+source. An example of this documentation is available on the BTK
+website (http://btk.sf.net). To generate your own copy of this
+documentation, use the configuration file ("doxyfile") found in
+the btk_core/docs/doxygen directory:
+
+cd btk_core/docs/doxygen && doxygen
+
+You will need to generate and install this documentation manually, as
+it is not currently part of the build system.
+
+
+Getting Help
+============
+
+If you need assistance installing or using this library, please use
+the BTK project forums and/or mailing lists, available at
+http://sourceforge.net/projects/btk
+
+Thanks,
+The BTK developers
diff --git a/Makefile.am b/Makefile.am
new file mode 100644
index 0000000..bafede0
--- /dev/null
+++ b/Makefile.am
@@ -0,0 +1,7 @@
+EXTRA_DIST = ChangeLog AUTHORS COPYING HACKING INSTALL NEWS README
+
+SUBDIRS = btk tests examples
+
+uninstall-hook:
+ (cd $(libdir) && if [ ! `ls -A btk` ] ; then rmdir btk; fi)
+ (cd $(includedir) && if [ ! `ls -A btk` ] ; then rmdir btk; fi)
\ No newline at end of file
diff --git a/Makefile.in b/Makefile.in
new file mode 100644
index 0000000..5d0f0c0
--- /dev/null
+++ b/Makefile.in
@@ -0,0 +1,428 @@
+# Makefile.in generated by automake 1.6.3 from Makefile.am.
+# @configure_input@
+
+# Copyright 1994, 1995, 1996, 1997, 1998, 1999, 2000, 2001, 2002
+# Free Software Foundation, Inc.
+# This Makefile.in is free software; the Free Software Foundation
+# gives unlimited permission to copy and/or distribute it,
+# with or without modifications, as long as this notice is preserved.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY, to the extent permitted by law; without
+# even the implied warranty of MERCHANTABILITY or FITNESS FOR A
+# PARTICULAR PURPOSE.
+
+ at SET_MAKE@
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+
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+NORMAL_INSTALL = :
+PRE_INSTALL = :
+POST_INSTALL = :
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+distdir = $(PACKAGE)-$(VERSION)
+
+am__remove_distdir = \
+ { test ! -d $(distdir) \
+ || { find $(distdir) -type d ! -perm -200 -exec chmod u+w {} ';' \
+ && rm -fr $(distdir); }; }
+
+GZIP_ENV = --best
+distcleancheck_listfiles = find . -type f -print
+
+distdir: $(DISTFILES)
+ $(am__remove_distdir)
+ mkdir $(distdir)
+ $(mkinstalldirs) $(distdir)/./btk/core/config $(distdir)/btk/core/config
+ @list='$(DISTFILES)'; for file in $$list; do \
+ if test -f $$file || test -d $$file; then d=.; else d=$(srcdir); fi; \
+ dir=`echo "$$file" | sed -e 's,/[^/]*$$,,'`; \
+ if test "$$dir" != "$$file" && test "$$dir" != "."; then \
+ dir="/$$dir"; \
+ $(mkinstalldirs) "$(distdir)$$dir"; \
+ else \
+ dir=''; \
+ fi; \
+ if test -d $$d/$$file; then \
+ if test -d $(srcdir)/$$file && test $$d != $(srcdir); then \
+ cp -pR $(srcdir)/$$file $(distdir)$$dir || exit 1; \
+ fi; \
+ cp -pR $$d/$$file $(distdir)$$dir || exit 1; \
+ else \
+ test -f $(distdir)/$$file \
+ || cp -p $$d/$$file $(distdir)/$$file \
+ || exit 1; \
+ fi; \
+ done
+ list='$(SUBDIRS)'; for subdir in $$list; do \
+ if test "$$subdir" = .; then :; else \
+ test -d $(distdir)/$$subdir \
+ || mkdir $(distdir)/$$subdir \
+ || exit 1; \
+ (cd $$subdir && \
+ $(MAKE) $(AM_MAKEFLAGS) \
+ top_distdir="$(top_distdir)" \
+ distdir=../$(distdir)/$$subdir \
+ distdir) \
+ || exit 1; \
+ fi; \
+ done
+ -find $(distdir) -type d ! -perm -777 -exec chmod a+rwx {} \; -o \
+ ! -type d ! -perm -444 -links 1 -exec chmod a+r {} \; -o \
+ ! -type d ! -perm -400 -exec chmod a+r {} \; -o \
+ ! -type d ! -perm -444 -exec $(SHELL) $(install_sh) -c -m a+r {} {} \; \
+ || chmod -R a+r $(distdir)
+dist-gzip: distdir
+ $(AMTAR) chof - $(distdir) | GZIP=$(GZIP_ENV) gzip -c >$(distdir).tar.gz
+ $(am__remove_distdir)
+
+dist dist-all: distdir
+ $(AMTAR) chof - $(distdir) | GZIP=$(GZIP_ENV) gzip -c >$(distdir).tar.gz
+ $(am__remove_distdir)
+
+# This target untars the dist file and tries a VPATH configuration. Then
+# it guarantees that the distribution is self-contained by making another
+# tarfile.
+distcheck: dist
+ $(am__remove_distdir)
+ GZIP=$(GZIP_ENV) gunzip -c $(distdir).tar.gz | $(AMTAR) xf -
+ chmod -R a-w $(distdir); chmod a+w $(distdir)
+ mkdir $(distdir)/=build
+ mkdir $(distdir)/=inst
+ chmod a-w $(distdir)
+ dc_install_base=`$(am__cd) $(distdir)/=inst && pwd` \
+ && cd $(distdir)/=build \
+ && ../configure --srcdir=.. --prefix=$$dc_install_base \
+ $(DISTCHECK_CONFIGURE_FLAGS) \
+ && $(MAKE) $(AM_MAKEFLAGS) \
+ && $(MAKE) $(AM_MAKEFLAGS) dvi \
+ && $(MAKE) $(AM_MAKEFLAGS) check \
+ && $(MAKE) $(AM_MAKEFLAGS) install \
+ && $(MAKE) $(AM_MAKEFLAGS) installcheck \
+ && $(MAKE) $(AM_MAKEFLAGS) uninstall \
+ && (test `find $$dc_install_base -type f -print | wc -l` -le 1 \
+ || { echo "ERROR: files left after uninstall:" ; \
+ find $$dc_install_base -type f -print ; \
+ exit 1; } >&2 ) \
+ && $(MAKE) $(AM_MAKEFLAGS) dist-gzip \
+ && rm -f $(distdir).tar.gz \
+ && $(MAKE) $(AM_MAKEFLAGS) distcleancheck
+ $(am__remove_distdir)
+ @echo "$(distdir).tar.gz is ready for distribution" | \
+ sed 'h;s/./=/g;p;x;p;x'
+distcleancheck: distclean
+ if test '$(srcdir)' = . ; then \
+ echo "ERROR: distcleancheck can only run from a VPATH build" ; \
+ exit 1 ; \
+ fi
+ test `$(distcleancheck_listfiles) | wc -l` -eq 0 \
+ || { echo "ERROR: files left after distclean:" ; \
+ $(distcleancheck_listfiles) ; \
+ exit 1; } >&2
+check-am: all-am
+check: check-recursive
+all-am: Makefile
+installdirs: installdirs-recursive
+installdirs-am:
+
+install: install-recursive
+install-exec: install-exec-recursive
+install-data: install-data-recursive
+uninstall: uninstall-recursive
+
+install-am: all-am
+ @$(MAKE) $(AM_MAKEFLAGS) install-exec-am install-data-am
+
+installcheck: installcheck-recursive
+install-strip:
+ $(MAKE) $(AM_MAKEFLAGS) INSTALL_PROGRAM="$(INSTALL_STRIP_PROGRAM)" \
+ INSTALL_STRIP_FLAG=-s \
+ `test -z '$(STRIP)' || \
+ echo "INSTALL_PROGRAM_ENV=STRIPPROG='$(STRIP)'"` install
+mostlyclean-generic:
+
+clean-generic:
+
+distclean-generic:
+ -rm -f Makefile $(CONFIG_CLEAN_FILES)
+
+maintainer-clean-generic:
+ @echo "This command is intended for maintainers to use"
+ @echo "it deletes files that may require special tools to rebuild."
+clean: clean-recursive
+
+clean-am: clean-generic mostlyclean-am
+
+distclean: distclean-recursive
+ -rm -f $(am__CONFIG_DISTCLEAN_FILES)
+distclean-am: clean-am distclean-generic distclean-hdr distclean-tags
+
+dvi: dvi-recursive
+
+dvi-am:
+
+info: info-recursive
+
+info-am:
+
+install-data-am:
+
+install-exec-am:
+
+install-info: install-info-recursive
+
+install-man:
+
+installcheck-am:
+
+maintainer-clean: maintainer-clean-recursive
+ -rm -f $(am__CONFIG_DISTCLEAN_FILES)
+ -rm -rf autom4te.cache
+maintainer-clean-am: distclean-am maintainer-clean-generic
+
+mostlyclean: mostlyclean-recursive
+
+mostlyclean-am: mostlyclean-generic
+
+uninstall-am: uninstall-info-am
+ @$(NORMAL_INSTALL)
+ $(MAKE) $(AM_MAKEFLAGS) uninstall-hook
+
+uninstall-info: uninstall-info-recursive
+
+.PHONY: $(RECURSIVE_TARGETS) GTAGS all all-am check check-am clean \
+ clean-generic clean-recursive dist dist-all dist-gzip distcheck \
+ distclean distclean-generic distclean-hdr distclean-recursive \
+ distclean-tags distcleancheck distdir dvi dvi-am dvi-recursive \
+ info info-am info-recursive install install-am install-data \
+ install-data-am install-data-recursive install-exec \
+ install-exec-am install-exec-recursive install-info \
+ install-info-am install-info-recursive install-man \
+ install-recursive install-strip installcheck installcheck-am \
+ installdirs installdirs-am installdirs-recursive \
+ maintainer-clean maintainer-clean-generic \
+ maintainer-clean-recursive mostlyclean mostlyclean-generic \
+ mostlyclean-recursive tags tags-recursive uninstall \
+ uninstall-am uninstall-info-am uninstall-info-recursive \
+ uninstall-recursive
+
+
+uninstall-hook:
+ (cd $(libdir) && if [ ! `ls -A btk` ] ; then rmdir btk; fi)
+ (cd $(includedir) && if [ ! `ls -A btk` ] ; then rmdir btk; fi)
+# Tell versions [3.59,3.63) of GNU make to not export all variables.
+# Otherwise a system limit (for SysV at least) may be exceeded.
+.NOEXPORT:
diff --git a/NEWS b/NEWS
new file mode 100644
index 0000000..10dbffd
--- /dev/null
+++ b/NEWS
@@ -0,0 +1,73 @@
+BTK: The Biomolecule ToolKit - NEWS:
+===================================
+
+7/16/2007 - BTK Core, version 0.8.1
+---------------------------------------------------------
+
+This is a maintenance release of the BTK Core library, containing documentation
+updates, bug fixes and minor feature additions. Among the significant changes
+in this release:
+
+-Documentation updates
+
+ * Addition of an extensive discussion of the leastsquares_superposition and
+ RMSD-calculation methods, including a description of the mathematical
+ theory behind their operation.
+ * Fully documented the rotation/translation methods
+ * Addition of a documented example program ("gyration_radius.cpp")
+
+-Bug fixes
+
+ * Fixed copy construction bug in PDBAtomDecorator that caused compilation
+ errors in rare situations.
+ * Fixed a bug in PDBFileParser that caused a compilation error in the
+ PDBSystem copy constructor.
+ * Fixed a const-conversion bug in GroupedElementIterator which prevented
+ proper interoperation of const and non-const iterator types.
+ * Fixed a crash-producing bug in stream output for the TypeID class.
+ * Fixed a math error in RMSD and superposition methods that would corrupt
+ molecule coordinates.
+ * Fixed a bug that caused all default-constructed PDBAtom objects to be
+ treated as HETATMs.
+
+-Feature additions
+
+ * Added operator[] to AtomicStructure and PolymerStructure-derived classes.
+ * Added protected increment() and decrement() operators to TypeID class.
+ * PDBFileParser can now handle PDB files with ill-formed residue numbering
+ (i.e. Files where residue numbers are repeated in successive chains).
+
+
+11/15/2006 - BTK Core, version 0.8
+---------------------------------------------------------
+
+Yes, it's been a long time.
+
+The interesting thing is, although we haven't been particularly vigilant
+about making releases, we never stopped developing the library! As such,
+this release marks an almost complete re-write of the BTK package, with
+significant improvements to the core classes and design. In order to better
+reflect this distinction, we have decided to release the most stable parts of
+the library in a "core" distribution.
+
+As you might guess from the name, this is the BTK Core library, which we
+believe represents a stable base on which future BTK libraries and apps will
+be developed. And although this is technically still a developer's release,
+we regularly use the package for our own production and research work, and
+hope that many of the classes and interfaces will remain unchanged as we
+move toward the release of a 1.0 version of the library.
+
+Among the most significant changes in this release:
+
+-A complete re-organization of the library.
+-Re-design and re-implementation of the core molecular classes,
+ reflecting a consistent, stable class hierarchy.
+-Migration to an extensible, decorator-based design, where
+ capabilities may be created, layered and combined as needed.
+-Addition of a System class for manipulating multiple structures
+ as a single object.
+-Addition of the PDBSystem class for simple, flexible, one-step
+ loading of structures from PDB files.
+-Improved I/O, logging, debugging, and exception-handling systems.
+-Use of the GNU standard autotools build system.
+-Support for multiple installations.
diff --git a/README b/README
new file mode 100644
index 0000000..f4f2141
--- /dev/null
+++ b/README
@@ -0,0 +1,73 @@
+The Biomolecule ToolKit - version 0.8.1 - README:
+=================================================
+
+This is a development release of the Biomolecule ToolKit (BTK), an
+Open Source library for use in modeling biological macromolecules. The
+toolkit will ultimately provide a C++ interface for common high level tasks
+in computational structural biology, to facilitate and standardize the
+development of molecular modeling, design and analysis tools. This library
+is released under the terms of the GNU Lesser General Public License (see
+the COPYING file for more details).
+
+Currently, the library interface and design of the BTK are under development.
+Features may be broken, unimplemented or missing. Many interfaces are stable,
+but others are almost certain to change in the future. A roadmap for BTK
+development is available at the project website: http://btk.sourceforge.net
+
+Obtaining Data Files
+--------------------
+
+The BTK reads and writes three-dimensional structures in the format used by
+the Protein Data Bank (PDB), the canonical repository for biological
+structures. There are over 15,000 structures freely available for download
+from the PDB:
+
+http://www.rcsb.org/pdb/
+
+Other Useful Tools
+------------------
+
+In order to view the molecular structures described by PDB files, you will
+need a molecular visualization package. There are several such programs
+freely available:
+
+RasMol is a widely-used 3D molecular visualization program, available for
+download from:
+
+http://www.umass.edu/microbio/rasmol/
+
+PyMol is another visualization package with some more advanced features
+and better graphical rendering capabilities:
+
+http://pymol.sourceforge.net/
+
+
+For More Information
+--------------------
+
+The most current information about the project is always available from the
+project website:
+
+http://btk.sourceforge.net
+
+and the project's sourceforge development page:
+
+http://www.sourceforge.net/projects/btk
+
+There are several mailing lists that you may wish to subscribe to
+to stay informed about the status of the project:
+
+The btk-announce list is a moderated, low-traffic list which contains
+announcements of releases and code updates.
+
+The btk-users list is an unmoderated list for everyone who uses or is
+interested in the BTK.
+
+The btk-developers list is a list restricted to the core developers of the
+BTK project. To be added to this list, you'll need to be approved by the
+list administrator.
+
+To subscribe to any of these lists, go to:
+http://sourceforge.net/mail/?group_id=28435
+
+We look forward to hearing from you!
diff --git a/acinclude.m4 b/acinclude.m4
new file mode 100644
index 0000000..0115eba
--- /dev/null
+++ b/acinclude.m4
@@ -0,0 +1,304 @@
+AC_DEFUN([TRY_CXXFLAG],
+[
+ AC_MSG_CHECKING([whether $CXX supports $1])
+
+ AC_LANG_SAVE
+ AC_LANG_CPLUSPLUS
+ backup_CXXFLAGS="$CXXFLAGS"
+ CXXFLAGS="$CXXFLAGS [$1]"
+ AC_TRY_COMPILE([],
+ [],
+ [AC_MSG_RESULT([yes])],
+ [AC_MSG_RESULT([no])
+ CXXFLAGS="$backup_CXXFLAGS"])
+ AC_LANG_RESTORE
+]
+)
+
+AC_DEFUN([SET_GCC_ABI_VERSION],
+[
+ version=0
+ if test "[$1]x" = "x"; then
+ version="[$1]"
+ fi
+ if test "$CXX" = "g++" -o "$CXX" = "gcc"; then
+ TRY_CXXFLAG([-fabi-version=$version])
+ fi
+]
+)
+
+dnl AC_PATH_BOOST([MINIMUM-VERSION], [ACTION-IF-FOUND], [ACTION-IF-NOT-FOUND])
+dnl Test for the Boost C++ libraries of a particular version (or newer)
+dnl Defines:
+dnl BOOST_PATH path to Boost library distribution.
+AC_DEFUN([AC_PATH_BOOST],
+[
+ BOOST_PATH=""
+ path_given="no"
+ found_boost_root="no"
+
+ AC_MSG_CHECKING([for path to Boost C++ libraries])
+
+dnl Extract the path name from a --with-boost=PATH argument
+ AC_ARG_WITH(boost,
+ [ --with-boost=PATH absolute path name where the Boost C++ libraries
+ reside. Alternatively, the BOOST_ROOT environment variable will be used],
+ if test "$withval" = no ; then
+ path_given="no"
+ BOOST_PATH=""
+ else
+ if test "$withval" != yes ; then
+ path_given="yes"
+ BOOST_PATH="$withval"
+ BOOST_ROOT="$withval"
+
+ is_absolute=`expr $withval : '\/.*' `
+
+ if test "$is_absolute" == 0 ; then
+ AC_MSG_WARN([It appears that your argument to --with-boost is not an
+ absolute path. This might cause problems with your build!])
+ fi
+ fi
+ fi
+ )
+
+dnl If no path with given and there is a BOOST_ROOT environment variable,
+dnl use it
+ if test "$path_given" = "no"; then
+ if test "x$BOOST_ROOT" = "x"; then
+ found_boost_root="no"
+ BOOST_PATH=""
+ else
+ found_boost_root="yes"
+ BOOST_PATH="$BOOST_ROOT"
+ fi
+ fi
+
+dnl If no path was given, and there is no BOOST_ROOT defined, look in
+dnl the default installation directory for btk_boost
+ if test "$found_boost_root" = "no" -a "$path_given" = "no"; then
+ AC_MSG_RESULT([not found!])
+ ifelse([$3], , :, [$3])
+ else
+ AC_MSG_RESULT([yes, $BOOST_PATH])
+ fi
+
+ boost_min_version=ifelse([$1], ,1.30.0,$1)
+
+ AC_LANG_SAVE
+ AC_LANG_CPLUSPLUS
+ OLD_CXX_FLAGS="$CXXFLAGS"
+ CXXFLAGS="$CXXFLAGS -I$BOOST_PATH"
+ AC_MSG_CHECKING([for Boost version $boost_min_version or newer])
+ AC_TRY_COMPILE(
+ [#include <boost/version.hpp>],
+ [],
+ [have_boost="yes"],
+ [
+ AC_MSG_RESULT([no])
+ have_boost="no"
+ ifelse([$3], , :, [$3])
+ ])
+
+ if test "$have_boost" = "yes"; then
+ WANT_BOOST_MAJOR=`expr $boost_min_version : '\([[0-9]]*\)\.'`
+ WANT_BOOST_MINOR=`expr $boost_min_version : '[[0-9]]*\.\([[0-9]]*\)'`
+ WANT_BOOST_SUB_MINOR=`expr $boost_min_version : '[[0-9]]*\.[[0-9]]*\.\([[0-9]]*\)'`
+ WANT_BOOST_VERSION=`expr $WANT_BOOST_MAJOR \* 100000 \+ $WANT_BOOST_MINOR \* 100 \+ $WANT_BOOST_SUB_MINOR`
+
+ AC_TRY_COMPILE(
+ [#include <boost/version.hpp>],
+ [
+ #if BOOST_VERSION >= $WANT_BOOST_VERSION
+ // Everything is okay
+ #else
+ # error Boost version is too old
+ #endif
+ ],
+ [
+ AC_MSG_RESULT(yes)
+ ifelse([$2], , :, [$2])
+ ],
+ [
+ AC_MSG_RESULT([no, version of installed Boost libraries is too old])
+ ifelse([$3], , :, [$3])
+ ])
+ fi
+
+ CXXFLAGS="$OLD_CXX_FLAGS"
+ AC_LANG_RESTORE
+])
+
+dnl @synopsis AX_PREFIX_CONFIG_H [(OUTPUT-HEADER [,PREFIX [,ORIG-HEADER]])]
+dnl
+dnl This is a new variant from ac_prefix_config_ this one will use a
+dnl lowercase-prefix if the config-define was starting with a
+dnl lowercase-char, e.g. "#define const", "#define restrict", or
+dnl "#define off_t", (and this one can live in another directory, e.g.
+dnl testpkg/config.h therefore I decided to move the output-header to
+dnl be the first arg)
+dnl
+dnl takes the usual config.h generated header file; looks for each of
+dnl the generated "#define SOMEDEF" lines, and prefixes the defined
+dnl name (ie. makes it "#define PREFIX_SOMEDEF". The result is written
+dnl to the output config.header file. The PREFIX is converted to
+dnl uppercase for the conversions.
+dnl
+dnl Defaults:
+dnl
+dnl OUTPUT-HEADER = $PACKAGE-config.h
+dnl PREFIX = $PACKAGE
+dnl ORIG-HEADER, from AM_CONFIG_HEADER(config.h)
+dnl
+dnl Your configure.ac script should contain both macros in this order,
+dnl and unlike the earlier variations of this prefix-macro it is okay
+dnl to place the AX_PREFIX_CONFIG_H call before the AC_OUTPUT
+dnl invokation.
+dnl
+dnl Example:
+dnl
+dnl AC_INIT(config.h.in) # config.h.in as created by "autoheader"
+dnl AM_INIT_AUTOMAKE(testpkg, 0.1.1) # makes #undef VERSION and PACKAGE
+dnl AM_CONFIG_HEADER(config.h) # prep config.h from config.h.in
+dnl AX_PREFIX_CONFIG_H(mylib/_config.h) # prep mylib/_config.h from it..
+dnl AC_MEMORY_H # makes "#undef NEED_MEMORY_H"
+dnl AC_C_CONST_H # makes "#undef const"
+dnl AC_OUTPUT(Makefile) # creates the "config.h" now
+dnl # and also mylib/_config.h
+dnl
+dnl if the argument to AX_PREFIX_CONFIG_H would have been omitted then
+dnl the default outputfile would have been called simply
+dnl "testpkg-config.h", but even under the name "mylib/_config.h" it
+dnl contains prefix-defines like
+dnl
+dnl #ifndef TESTPKG_VERSION
+dnl #define TESTPKG_VERSION "0.1.1"
+dnl #endif
+dnl #ifndef TESTPKG_NEED_MEMORY_H
+dnl #define TESTPKG_NEED_MEMORY_H 1
+dnl #endif
+dnl #ifndef _testpkg_const
+dnl #define _testpkg_const _const
+dnl #endif
+dnl
+dnl and this "mylib/_config.h" can be installed along with other
+dnl header-files, which is most convenient when creating a shared
+dnl library (that has some headers) where some functionality is
+dnl dependent on the OS-features detected at compile-time. No need to
+dnl invent some "mylib-confdefs.h.in" manually. :-)
+dnl
+dnl Note that some AC_DEFINEs that end up in the config.h file are
+dnl actually self-referential - e.g. AC_C_INLINE, AC_C_CONST, and the
+dnl AC_TYPE_OFF_T say that they "will define inline|const|off_t if the
+dnl system does not do it by itself". You might want to clean up about
+dnl these - consider an extra mylib/conf.h that reads something like:
+dnl
+dnl #include <mylib/_config.h>
+dnl #ifndef _testpkg_const
+dnl #define _testpkg_const const
+dnl #endif
+dnl
+dnl and then start using _testpkg_const in the header files. That is
+dnl also a good thing to differentiate whether some library-user has
+dnl starting to take up with a different compiler, so perhaps it could
+dnl read something like this:
+dnl
+dnl #ifdef _MSC_VER
+dnl #include <mylib/_msvc.h>
+dnl #else
+dnl #include <mylib/_config.h>
+dnl #endif
+dnl #ifndef _testpkg_const
+dnl #define _testpkg_const const
+dnl #endif
+dnl
+dnl @category Misc
+dnl @author Guido Draheim <guidod at gmx.de>
+dnl @author M�rten Svantesson <msv at kth.se>
+dnl @version 2005-06-08
+dnl @license GPLWithACException
+
+AC_DEFUN([AX_PREFIX_CONFIG_H],[AC_REQUIRE([AC_CONFIG_HEADER])
+AC_CONFIG_COMMANDS([ifelse($1,,$PACKAGE-config.h,$1)],[dnl
+AS_VAR_PUSHDEF([_OUT],[ac_prefix_conf_OUT])dnl
+AS_VAR_PUSHDEF([_DEF],[ac_prefix_conf_DEF])dnl
+AS_VAR_PUSHDEF([_PKG],[ac_prefix_conf_PKG])dnl
+AS_VAR_PUSHDEF([_LOW],[ac_prefix_conf_LOW])dnl
+AS_VAR_PUSHDEF([_UPP],[ac_prefix_conf_UPP])dnl
+AS_VAR_PUSHDEF([_INP],[ac_prefix_conf_INP])dnl
+m4_pushdef([_script],[conftest.prefix])dnl
+m4_pushdef([_symbol],[m4_cr_Letters[]m4_cr_digits[]_])dnl
+_OUT=`printf '%s\n' ifelse($1, , $PACKAGE-config.h, $1)`
+_DEF=`printf '%s\n' _$_OUT | sed -e "y:m4_cr_letters:m4_cr_LETTERS[]:" -e "s/@<:@^m4_cr_Letters@:>@/_/g"`
+_PKG=`printf '%s\n' ifelse($2, , $PACKAGE, $2)`
+_LOW=`printf '%s\n' _$_PKG | sed -e "y:m4_cr_LETTERS-:m4_cr_letters[]_:"`
+_UPP=`printf '%s\n' $_PKG | sed -e "y:m4_cr_letters-:m4_cr_LETTERS[]_:" -e "/^@<:@m4_cr_digits@:>@/s/^/_/"`
+_INP=`printf '%s\n' "ifelse($3,,,$3)" | sed -e 's/ *//'`
+if test ".$_INP" = "."; then
+ for ac_file in : $CONFIG_HEADERS; do test "_$ac_file" = _: && continue
+ case "$ac_file" in
+ *.h) _INP=$ac_file ;;
+ *)
+ esac
+ test ".$_INP" != "." && break
+ done
+fi
+if test ".$_INP" = "."; then
+ case "$_OUT" in
+ */*) _INP=`basename "$_OUT"`
+ ;;
+ *-*) _INP=`printf '%s\n' "$_OUT" | sed -e "s/@<:@_symbol@:>@*-//"`
+ ;;
+ *) _INP=config.h
+ ;;
+ esac
+fi
+if test -z "$_PKG" ; then
+ AC_MSG_ERROR([no prefix for _PREFIX_PKG_CONFIG_H])
+else
+ if test ! -f "$_INP" ; then if test -f "$srcdir/$_INP" ; then
+ _INP="$srcdir/$_INP"
+ fi fi
+ AC_MSG_NOTICE(creating $_OUT - prefix $_UPP for $_INP defines)
+ if test -f $_INP ; then
+ printf '%s\n' "s/@%:@undef *\\(@<:@m4_cr_LETTERS[]_@:>@\\)/@%:@undef $_UPP""_\\1/" > _script
+ printf '%s\n' "s/@%:@undef *\\(@<:@m4_cr_letters@:>@\\)/@%:@undef $_LOW""_\\1/" >> _script
+ printf '%s\n' "s/@%:@def[]ine *\\(@<:@m4_cr_LETTERS[]_@:>@@<:@_symbol@:>@*\\)\\(.*\\)/@%:@ifndef $_UPP""_\\1 \\" >> _script
+ printf '%s\n' "@%:@def[]ine $_UPP""_\\1 \\2 \\" >> _script
+ printf '%s\n' "@%:@endif/" >>_script
+ printf '%s\n' "s/@%:@def[]ine *\\(@<:@m4_cr_letters@:>@@<:@_symbol@:>@*\\)\\(.*\\)/@%:@ifndef $_LOW""_\\1 \\" >> _script
+ printf '%s\n' "@%:@define $_LOW""_\\1 \\2 \\" >> _script
+ printf '%s\n' "@%:@endif/" >> _script
+ # now executing _script on _DEF input to create _OUT output file
+ printf '%s\n' "@%:@ifndef $_DEF" >$tmp/pconfig.h
+ printf '%s\n' "@%:@def[]ine $_DEF 1" >>$tmp/pconfig.h
+ printf '%s\n' ' ' >>$tmp/pconfig.h
+ printf '%s\n' /'*' $_OUT. Generated automatically at end of configure. '*'/ >>$tmp/pconfig.h
+
+ sed -f _script $_INP >>$tmp/pconfig.h
+ printf '%s\n' ' ' >>$tmp/pconfig.h
+ printf '%s\n' '/* once:' $_DEF '*/' >>$tmp/pconfig.h
+ printf '%s\n' "@%:@endif" >>$tmp/pconfig.h
+ if cmp -s $_OUT $tmp/pconfig.h 2>/dev/null; then
+ AC_MSG_NOTICE([$_OUT is unchanged])
+ else
+ ac_dir=`AS_DIRNAME(["$_OUT"])`
+ AS_MKDIR_P(["$ac_dir"])
+ rm -f "$_OUT"
+ mv $tmp/pconfig.h "$_OUT"
+ fi
+ cp _script _configs.sed
+ else
+ AC_MSG_ERROR([input file $_INP does not exist - skip generating $_OUT])
+ fi
+ rm -f conftest.*
+fi
+m4_popdef([_symbol])dnl
+m4_popdef([_script])dnl
+AS_VAR_POPDEF([_INP])dnl
+AS_VAR_POPDEF([_UPP])dnl
+AS_VAR_POPDEF([_LOW])dnl
+AS_VAR_POPDEF([_PKG])dnl
+AS_VAR_POPDEF([_DEF])dnl
+AS_VAR_POPDEF([_OUT])dnl
+],[PACKAGE="$PACKAGE"])])
\ No newline at end of file
diff --git a/aclocal.m4 b/aclocal.m4
new file mode 100644
index 0000000..f7c7b28
--- /dev/null
+++ b/aclocal.m4
@@ -0,0 +1,1140 @@
+# aclocal.m4 generated automatically by aclocal 1.6.3 -*- Autoconf -*-
+
+# Copyright 1996, 1997, 1998, 1999, 2000, 2001, 2002
+# Free Software Foundation, Inc.
+# This file is free software; the Free Software Foundation
+# gives unlimited permission to copy and/or distribute it,
+# with or without modifications, as long as this notice is preserved.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY, to the extent permitted by law; without
+# even the implied warranty of MERCHANTABILITY or FITNESS FOR A
+# PARTICULAR PURPOSE.
+
+AC_DEFUN([TRY_CXXFLAG],
+[
+ AC_MSG_CHECKING([whether $CXX supports $1])
+
+ AC_LANG_SAVE
+ AC_LANG_CPLUSPLUS
+ backup_CXXFLAGS="$CXXFLAGS"
+ CXXFLAGS="$CXXFLAGS [$1]"
+ AC_TRY_COMPILE([],
+ [],
+ [AC_MSG_RESULT([yes])],
+ [AC_MSG_RESULT([no])
+ CXXFLAGS="$backup_CXXFLAGS"])
+ AC_LANG_RESTORE
+]
+)
+
+AC_DEFUN([SET_GCC_ABI_VERSION],
+[
+ version=0
+ if test "[$1]x" = "x"; then
+ version="[$1]"
+ fi
+ if test "$CXX" = "g++" -o "$CXX" = "gcc"; then
+ TRY_CXXFLAG([-fabi-version=$version])
+ fi
+]
+)
+
+dnl AC_PATH_BOOST([MINIMUM-VERSION], [ACTION-IF-FOUND], [ACTION-IF-NOT-FOUND])
+dnl Test for the Boost C++ libraries of a particular version (or newer)
+dnl Defines:
+dnl BOOST_PATH path to Boost library distribution.
+AC_DEFUN([AC_PATH_BOOST],
+[
+ BOOST_PATH=""
+ path_given="no"
+ found_boost_root="no"
+
+ AC_MSG_CHECKING([for path to Boost C++ libraries])
+
+dnl Extract the path name from a --with-boost=PATH argument
+ AC_ARG_WITH(boost,
+ [ --with-boost=PATH absolute path name where the Boost C++ libraries
+ reside. Alternatively, the BOOST_ROOT environment variable will be used],
+ if test "$withval" = no ; then
+ path_given="no"
+ BOOST_PATH=""
+ else
+ if test "$withval" != yes ; then
+ path_given="yes"
+ BOOST_PATH="$withval"
+ BOOST_ROOT="$withval"
+
+ is_absolute=`expr $withval : '\/.*' `
+
+ if test "$is_absolute" == 0 ; then
+ AC_MSG_WARN([It appears that your argument to --with-boost is not an
+ absolute path. This might cause problems with your build!])
+ fi
+ fi
+ fi
+ )
+
+dnl If no path with given and there is a BOOST_ROOT environment variable,
+dnl use it
+ if test "$path_given" = "no"; then
+ if test "x$BOOST_ROOT" = "x"; then
+ found_boost_root="no"
+ BOOST_PATH=""
+ else
+ found_boost_root="yes"
+ BOOST_PATH="$BOOST_ROOT"
+ fi
+ fi
+
+dnl If no path was given, and there is no BOOST_ROOT defined, look in
+dnl the default installation directory for btk_boost
+ if test "$found_boost_root" = "no" -a "$path_given" = "no"; then
+ AC_MSG_RESULT([not found!])
+ ifelse([$3], , :, [$3])
+ else
+ AC_MSG_RESULT([yes, $BOOST_PATH])
+ fi
+
+ boost_min_version=ifelse([$1], ,1.30.0,$1)
+
+ AC_LANG_SAVE
+ AC_LANG_CPLUSPLUS
+ OLD_CXX_FLAGS="$CXXFLAGS"
+ CXXFLAGS="$CXXFLAGS -I$BOOST_PATH"
+ AC_MSG_CHECKING([for Boost version $boost_min_version or newer])
+ AC_TRY_COMPILE(
+ [#include <boost/version.hpp>],
+ [],
+ [have_boost="yes"],
+ [
+ AC_MSG_RESULT([no])
+ have_boost="no"
+ ifelse([$3], , :, [$3])
+ ])
+
+ if test "$have_boost" = "yes"; then
+ WANT_BOOST_MAJOR=`expr $boost_min_version : '\([[0-9]]*\)\.'`
+ WANT_BOOST_MINOR=`expr $boost_min_version : '[[0-9]]*\.\([[0-9]]*\)'`
+ WANT_BOOST_SUB_MINOR=`expr $boost_min_version : '[[0-9]]*\.[[0-9]]*\.\([[0-9]]*\)'`
+ WANT_BOOST_VERSION=`expr $WANT_BOOST_MAJOR \* 100000 \+ $WANT_BOOST_MINOR \* 100 \+ $WANT_BOOST_SUB_MINOR`
+
+ AC_TRY_COMPILE(
+ [#include <boost/version.hpp>],
+ [
+ #if BOOST_VERSION >= $WANT_BOOST_VERSION
+ // Everything is okay
+ #else
+ # error Boost version is too old
+ #endif
+ ],
+ [
+ AC_MSG_RESULT(yes)
+ ifelse([$2], , :, [$2])
+ ],
+ [
+ AC_MSG_RESULT([no, version of installed Boost libraries is too old])
+ ifelse([$3], , :, [$3])
+ ])
+ fi
+
+ CXXFLAGS="$OLD_CXX_FLAGS"
+ AC_LANG_RESTORE
+])
+
+dnl @synopsis AX_PREFIX_CONFIG_H [(OUTPUT-HEADER [,PREFIX [,ORIG-HEADER]])]
+dnl
+dnl This is a new variant from ac_prefix_config_ this one will use a
+dnl lowercase-prefix if the config-define was starting with a
+dnl lowercase-char, e.g. "#define const", "#define restrict", or
+dnl "#define off_t", (and this one can live in another directory, e.g.
+dnl testpkg/config.h therefore I decided to move the output-header to
+dnl be the first arg)
+dnl
+dnl takes the usual config.h generated header file; looks for each of
+dnl the generated "#define SOMEDEF" lines, and prefixes the defined
+dnl name (ie. makes it "#define PREFIX_SOMEDEF". The result is written
+dnl to the output config.header file. The PREFIX is converted to
+dnl uppercase for the conversions.
+dnl
+dnl Defaults:
+dnl
+dnl OUTPUT-HEADER = $PACKAGE-config.h
+dnl PREFIX = $PACKAGE
+dnl ORIG-HEADER, from AM_CONFIG_HEADER(config.h)
+dnl
+dnl Your configure.ac script should contain both macros in this order,
+dnl and unlike the earlier variations of this prefix-macro it is okay
+dnl to place the AX_PREFIX_CONFIG_H call before the AC_OUTPUT
+dnl invokation.
+dnl
+dnl Example:
+dnl
+dnl AC_INIT(config.h.in) # config.h.in as created by "autoheader"
+dnl AM_INIT_AUTOMAKE(testpkg, 0.1.1) # makes #undef VERSION and PACKAGE
+dnl AM_CONFIG_HEADER(config.h) # prep config.h from config.h.in
+dnl AX_PREFIX_CONFIG_H(mylib/_config.h) # prep mylib/_config.h from it..
+dnl AC_MEMORY_H # makes "#undef NEED_MEMORY_H"
+dnl AC_C_CONST_H # makes "#undef const"
+dnl AC_OUTPUT(Makefile) # creates the "config.h" now
+dnl # and also mylib/_config.h
+dnl
+dnl if the argument to AX_PREFIX_CONFIG_H would have been omitted then
+dnl the default outputfile would have been called simply
+dnl "testpkg-config.h", but even under the name "mylib/_config.h" it
+dnl contains prefix-defines like
+dnl
+dnl #ifndef TESTPKG_VERSION
+dnl #define TESTPKG_VERSION "0.1.1"
+dnl #endif
+dnl #ifndef TESTPKG_NEED_MEMORY_H
+dnl #define TESTPKG_NEED_MEMORY_H 1
+dnl #endif
+dnl #ifndef _testpkg_const
+dnl #define _testpkg_const _const
+dnl #endif
+dnl
+dnl and this "mylib/_config.h" can be installed along with other
+dnl header-files, which is most convenient when creating a shared
+dnl library (that has some headers) where some functionality is
+dnl dependent on the OS-features detected at compile-time. No need to
+dnl invent some "mylib-confdefs.h.in" manually. :-)
+dnl
+dnl Note that some AC_DEFINEs that end up in the config.h file are
+dnl actually self-referential - e.g. AC_C_INLINE, AC_C_CONST, and the
+dnl AC_TYPE_OFF_T say that they "will define inline|const|off_t if the
+dnl system does not do it by itself". You might want to clean up about
+dnl these - consider an extra mylib/conf.h that reads something like:
+dnl
+dnl #include <mylib/_config.h>
+dnl #ifndef _testpkg_const
+dnl #define _testpkg_const const
+dnl #endif
+dnl
+dnl and then start using _testpkg_const in the header files. That is
+dnl also a good thing to differentiate whether some library-user has
+dnl starting to take up with a different compiler, so perhaps it could
+dnl read something like this:
+dnl
+dnl #ifdef _MSC_VER
+dnl #include <mylib/_msvc.h>
+dnl #else
+dnl #include <mylib/_config.h>
+dnl #endif
+dnl #ifndef _testpkg_const
+dnl #define _testpkg_const const
+dnl #endif
+dnl
+dnl @category Misc
+dnl @author Guido Draheim <guidod at gmx.de>
+dnl @author M�rten Svantesson <msv at kth.se>
+dnl @version 2005-06-08
+dnl @license GPLWithACException
+
+AC_DEFUN([AX_PREFIX_CONFIG_H],[AC_REQUIRE([AC_CONFIG_HEADER])
+AC_CONFIG_COMMANDS([ifelse($1,,$PACKAGE-config.h,$1)],[dnl
+AS_VAR_PUSHDEF([_OUT],[ac_prefix_conf_OUT])dnl
+AS_VAR_PUSHDEF([_DEF],[ac_prefix_conf_DEF])dnl
+AS_VAR_PUSHDEF([_PKG],[ac_prefix_conf_PKG])dnl
+AS_VAR_PUSHDEF([_LOW],[ac_prefix_conf_LOW])dnl
+AS_VAR_PUSHDEF([_UPP],[ac_prefix_conf_UPP])dnl
+AS_VAR_PUSHDEF([_INP],[ac_prefix_conf_INP])dnl
+m4_pushdef([_script],[conftest.prefix])dnl
+m4_pushdef([_symbol],[m4_cr_Letters[]m4_cr_digits[]_])dnl
+_OUT=`printf '%s\n' ifelse($1, , $PACKAGE-config.h, $1)`
+_DEF=`printf '%s\n' _$_OUT | sed -e "y:m4_cr_letters:m4_cr_LETTERS[]:" -e "s/@<:@^m4_cr_Letters@:>@/_/g"`
+_PKG=`printf '%s\n' ifelse($2, , $PACKAGE, $2)`
+_LOW=`printf '%s\n' _$_PKG | sed -e "y:m4_cr_LETTERS-:m4_cr_letters[]_:"`
+_UPP=`printf '%s\n' $_PKG | sed -e "y:m4_cr_letters-:m4_cr_LETTERS[]_:" -e "/^@<:@m4_cr_digits@:>@/s/^/_/"`
+_INP=`printf '%s\n' "ifelse($3,,,$3)" | sed -e 's/ *//'`
+if test ".$_INP" = "."; then
+ for ac_file in : $CONFIG_HEADERS; do test "_$ac_file" = _: && continue
+ case "$ac_file" in
+ *.h) _INP=$ac_file ;;
+ *)
+ esac
+ test ".$_INP" != "." && break
+ done
+fi
+if test ".$_INP" = "."; then
+ case "$_OUT" in
+ */*) _INP=`basename "$_OUT"`
+ ;;
+ *-*) _INP=`printf '%s\n' "$_OUT" | sed -e "s/@<:@_symbol@:>@*-//"`
+ ;;
+ *) _INP=config.h
+ ;;
+ esac
+fi
+if test -z "$_PKG" ; then
+ AC_MSG_ERROR([no prefix for _PREFIX_PKG_CONFIG_H])
+else
+ if test ! -f "$_INP" ; then if test -f "$srcdir/$_INP" ; then
+ _INP="$srcdir/$_INP"
+ fi fi
+ AC_MSG_NOTICE(creating $_OUT - prefix $_UPP for $_INP defines)
+ if test -f $_INP ; then
+ printf '%s\n' "s/@%:@undef *\\(@<:@m4_cr_LETTERS[]_@:>@\\)/@%:@undef $_UPP""_\\1/" > _script
+ printf '%s\n' "s/@%:@undef *\\(@<:@m4_cr_letters@:>@\\)/@%:@undef $_LOW""_\\1/" >> _script
+ printf '%s\n' "s/@%:@def[]ine *\\(@<:@m4_cr_LETTERS[]_@:>@@<:@_symbol@:>@*\\)\\(.*\\)/@%:@ifndef $_UPP""_\\1 \\" >> _script
+ printf '%s\n' "@%:@def[]ine $_UPP""_\\1 \\2 \\" >> _script
+ printf '%s\n' "@%:@endif/" >>_script
+ printf '%s\n' "s/@%:@def[]ine *\\(@<:@m4_cr_letters@:>@@<:@_symbol@:>@*\\)\\(.*\\)/@%:@ifndef $_LOW""_\\1 \\" >> _script
+ printf '%s\n' "@%:@define $_LOW""_\\1 \\2 \\" >> _script
+ printf '%s\n' "@%:@endif/" >> _script
+ # now executing _script on _DEF input to create _OUT output file
+ printf '%s\n' "@%:@ifndef $_DEF" >$tmp/pconfig.h
+ printf '%s\n' "@%:@def[]ine $_DEF 1" >>$tmp/pconfig.h
+ printf '%s\n' ' ' >>$tmp/pconfig.h
+ printf '%s\n' /'*' $_OUT. Generated automatically at end of configure. '*'/ >>$tmp/pconfig.h
+
+ sed -f _script $_INP >>$tmp/pconfig.h
+ printf '%s\n' ' ' >>$tmp/pconfig.h
+ printf '%s\n' '/* once:' $_DEF '*/' >>$tmp/pconfig.h
+ printf '%s\n' "@%:@endif" >>$tmp/pconfig.h
+ if cmp -s $_OUT $tmp/pconfig.h 2>/dev/null; then
+ AC_MSG_NOTICE([$_OUT is unchanged])
+ else
+ ac_dir=`AS_DIRNAME(["$_OUT"])`
+ AS_MKDIR_P(["$ac_dir"])
+ rm -f "$_OUT"
+ mv $tmp/pconfig.h "$_OUT"
+ fi
+ cp _script _configs.sed
+ else
+ AC_MSG_ERROR([input file $_INP does not exist - skip generating $_OUT])
+ fi
+ rm -f conftest.*
+fi
+m4_popdef([_symbol])dnl
+m4_popdef([_script])dnl
+AS_VAR_POPDEF([_INP])dnl
+AS_VAR_POPDEF([_UPP])dnl
+AS_VAR_POPDEF([_LOW])dnl
+AS_VAR_POPDEF([_PKG])dnl
+AS_VAR_POPDEF([_DEF])dnl
+AS_VAR_POPDEF([_OUT])dnl
+],[PACKAGE="$PACKAGE"])])
+# Do all the work for Automake. -*- Autoconf -*-
+
+# This macro actually does too much some checks are only needed if
+# your package does certain things. But this isn't really a big deal.
+
+# Copyright 1996, 1997, 1998, 1999, 2000, 2001, 2002
+# Free Software Foundation, Inc.
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+# 02111-1307, USA.
+
+# serial 8
+
+# There are a few dirty hacks below to avoid letting `AC_PROG_CC' be
+# written in clear, in which case automake, when reading aclocal.m4,
+# will think it sees a *use*, and therefore will trigger all it's
+# C support machinery. Also note that it means that autoscan, seeing
+# CC etc. in the Makefile, will ask for an AC_PROG_CC use...
+
+
+AC_PREREQ([2.52])
+
+# Autoconf 2.50 wants to disallow AM_ names. We explicitly allow
+# the ones we care about.
+m4_pattern_allow([^AM_[A-Z]+FLAGS$])dnl
+
+# AM_INIT_AUTOMAKE(PACKAGE, VERSION, [NO-DEFINE])
+# AM_INIT_AUTOMAKE([OPTIONS])
+# -----------------------------------------------
+# The call with PACKAGE and VERSION arguments is the old style
+# call (pre autoconf-2.50), which is being phased out. PACKAGE
+# and VERSION should now be passed to AC_INIT and removed from
+# the call to AM_INIT_AUTOMAKE.
+# We support both call styles for the transition. After
+# the next Automake release, Autoconf can make the AC_INIT
+# arguments mandatory, and then we can depend on a new Autoconf
+# release and drop the old call support.
+AC_DEFUN([AM_INIT_AUTOMAKE],
+[AC_REQUIRE([AM_SET_CURRENT_AUTOMAKE_VERSION])dnl
+ AC_REQUIRE([AC_PROG_INSTALL])dnl
+# test to see if srcdir already configured
+if test "`cd $srcdir && pwd`" != "`pwd`" &&
+ test -f $srcdir/config.status; then
+ AC_MSG_ERROR([source directory already configured; run "make distclean" there first])
+fi
+
+# Define the identity of the package.
+dnl Distinguish between old-style and new-style calls.
+m4_ifval([$2],
+[m4_ifval([$3], [_AM_SET_OPTION([no-define])])dnl
+ AC_SUBST([PACKAGE], [$1])dnl
+ AC_SUBST([VERSION], [$2])],
+[_AM_SET_OPTIONS([$1])dnl
+ AC_SUBST([PACKAGE], [AC_PACKAGE_TARNAME])dnl
+ AC_SUBST([VERSION], [AC_PACKAGE_VERSION])])dnl
+
+_AM_IF_OPTION([no-define],,
+[AC_DEFINE_UNQUOTED(PACKAGE, "$PACKAGE", [Name of package])
+ AC_DEFINE_UNQUOTED(VERSION, "$VERSION", [Version number of package])])dnl
+
+# Some tools Automake needs.
+AC_REQUIRE([AM_SANITY_CHECK])dnl
+AC_REQUIRE([AC_ARG_PROGRAM])dnl
+AM_MISSING_PROG(ACLOCAL, aclocal-${am__api_version})
+AM_MISSING_PROG(AUTOCONF, autoconf)
+AM_MISSING_PROG(AUTOMAKE, automake-${am__api_version})
+AM_MISSING_PROG(AUTOHEADER, autoheader)
+AM_MISSING_PROG(MAKEINFO, makeinfo)
+AM_MISSING_PROG(AMTAR, tar)
+AM_PROG_INSTALL_SH
+AM_PROG_INSTALL_STRIP
+# We need awk for the "check" target. The system "awk" is bad on
+# some platforms.
+AC_REQUIRE([AC_PROG_AWK])dnl
+AC_REQUIRE([AC_PROG_MAKE_SET])dnl
+
+_AM_IF_OPTION([no-dependencies],,
+[AC_PROVIDE_IFELSE([AC_PROG_][CC],
+ [_AM_DEPENDENCIES(CC)],
+ [define([AC_PROG_][CC],
+ defn([AC_PROG_][CC])[_AM_DEPENDENCIES(CC)])])dnl
+AC_PROVIDE_IFELSE([AC_PROG_][CXX],
+ [_AM_DEPENDENCIES(CXX)],
+ [define([AC_PROG_][CXX],
+ defn([AC_PROG_][CXX])[_AM_DEPENDENCIES(CXX)])])dnl
+])
+])
+
+# Copyright 2002 Free Software Foundation, Inc.
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+
+# AM_AUTOMAKE_VERSION(VERSION)
+# ----------------------------
+# Automake X.Y traces this macro to ensure aclocal.m4 has been
+# generated from the m4 files accompanying Automake X.Y.
+AC_DEFUN([AM_AUTOMAKE_VERSION],[am__api_version="1.6"])
+
+# AM_SET_CURRENT_AUTOMAKE_VERSION
+# -------------------------------
+# Call AM_AUTOMAKE_VERSION so it can be traced.
+# This function is AC_REQUIREd by AC_INIT_AUTOMAKE.
+AC_DEFUN([AM_SET_CURRENT_AUTOMAKE_VERSION],
+ [AM_AUTOMAKE_VERSION([1.6.3])])
+
+# Helper functions for option handling. -*- Autoconf -*-
+
+# Copyright 2001, 2002 Free Software Foundation, Inc.
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+# 02111-1307, USA.
+
+# serial 2
+
+# _AM_MANGLE_OPTION(NAME)
+# -----------------------
+AC_DEFUN([_AM_MANGLE_OPTION],
+[[_AM_OPTION_]m4_bpatsubst($1, [[^a-zA-Z0-9_]], [_])])
+
+# _AM_SET_OPTION(NAME)
+# ------------------------------
+# Set option NAME. Presently that only means defining a flag for this option.
+AC_DEFUN([_AM_SET_OPTION],
+[m4_define(_AM_MANGLE_OPTION([$1]), 1)])
+
+# _AM_SET_OPTIONS(OPTIONS)
+# ----------------------------------
+# OPTIONS is a space-separated list of Automake options.
+AC_DEFUN([_AM_SET_OPTIONS],
+[AC_FOREACH([_AM_Option], [$1], [_AM_SET_OPTION(_AM_Option)])])
+
+# _AM_IF_OPTION(OPTION, IF-SET, [IF-NOT-SET])
+# -------------------------------------------
+# Execute IF-SET if OPTION is set, IF-NOT-SET otherwise.
+AC_DEFUN([_AM_IF_OPTION],
+[m4_ifset(_AM_MANGLE_OPTION([$1]), [$2], [$3])])
+
+#
+# Check to make sure that the build environment is sane.
+#
+
+# Copyright 1996, 1997, 2000, 2001 Free Software Foundation, Inc.
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+# 02111-1307, USA.
+
+# serial 3
+
+# AM_SANITY_CHECK
+# ---------------
+AC_DEFUN([AM_SANITY_CHECK],
+[AC_MSG_CHECKING([whether build environment is sane])
+# Just in case
+sleep 1
+echo timestamp > conftest.file
+# Do `set' in a subshell so we don't clobber the current shell's
+# arguments. Must try -L first in case configure is actually a
+# symlink; some systems play weird games with the mod time of symlinks
+# (eg FreeBSD returns the mod time of the symlink's containing
+# directory).
+if (
+ set X `ls -Lt $srcdir/configure conftest.file 2> /dev/null`
+ if test "$[*]" = "X"; then
+ # -L didn't work.
+ set X `ls -t $srcdir/configure conftest.file`
+ fi
+ rm -f conftest.file
+ if test "$[*]" != "X $srcdir/configure conftest.file" \
+ && test "$[*]" != "X conftest.file $srcdir/configure"; then
+
+ # If neither matched, then we have a broken ls. This can happen
+ # if, for instance, CONFIG_SHELL is bash and it inherits a
+ # broken ls alias from the environment. This has actually
+ # happened. Such a system could not be considered "sane".
+ AC_MSG_ERROR([ls -t appears to fail. Make sure there is not a broken
+alias in your environment])
+ fi
+
+ test "$[2]" = conftest.file
+ )
+then
+ # Ok.
+ :
+else
+ AC_MSG_ERROR([newly created file is older than distributed files!
+Check your system clock])
+fi
+AC_MSG_RESULT(yes)])
+
+# -*- Autoconf -*-
+
+
+# Copyright 1997, 1999, 2000, 2001 Free Software Foundation, Inc.
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+# 02111-1307, USA.
+
+# serial 3
+
+# AM_MISSING_PROG(NAME, PROGRAM)
+# ------------------------------
+AC_DEFUN([AM_MISSING_PROG],
+[AC_REQUIRE([AM_MISSING_HAS_RUN])
+$1=${$1-"${am_missing_run}$2"}
+AC_SUBST($1)])
+
+
+# AM_MISSING_HAS_RUN
+# ------------------
+# Define MISSING if not defined so far and test if it supports --run.
+# If it does, set am_missing_run to use it, otherwise, to nothing.
+AC_DEFUN([AM_MISSING_HAS_RUN],
+[AC_REQUIRE([AM_AUX_DIR_EXPAND])dnl
+test x"${MISSING+set}" = xset || MISSING="\${SHELL} $am_aux_dir/missing"
+# Use eval to expand $SHELL
+if eval "$MISSING --run true"; then
+ am_missing_run="$MISSING --run "
+else
+ am_missing_run=
+ AC_MSG_WARN([`missing' script is too old or missing])
+fi
+])
+
+# AM_AUX_DIR_EXPAND
+
+# Copyright 2001 Free Software Foundation, Inc.
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+# 02111-1307, USA.
+
+# For projects using AC_CONFIG_AUX_DIR([foo]), Autoconf sets
+# $ac_aux_dir to `$srcdir/foo'. In other projects, it is set to
+# `$srcdir', `$srcdir/..', or `$srcdir/../..'.
+#
+# Of course, Automake must honor this variable whenever it calls a
+# tool from the auxiliary directory. The problem is that $srcdir (and
+# therefore $ac_aux_dir as well) can be either absolute or relative,
+# depending on how configure is run. This is pretty annoying, since
+# it makes $ac_aux_dir quite unusable in subdirectories: in the top
+# source directory, any form will work fine, but in subdirectories a
+# relative path needs to be adjusted first.
+#
+# $ac_aux_dir/missing
+# fails when called from a subdirectory if $ac_aux_dir is relative
+# $top_srcdir/$ac_aux_dir/missing
+# fails if $ac_aux_dir is absolute,
+# fails when called from a subdirectory in a VPATH build with
+# a relative $ac_aux_dir
+#
+# The reason of the latter failure is that $top_srcdir and $ac_aux_dir
+# are both prefixed by $srcdir. In an in-source build this is usually
+# harmless because $srcdir is `.', but things will broke when you
+# start a VPATH build or use an absolute $srcdir.
+#
+# So we could use something similar to $top_srcdir/$ac_aux_dir/missing,
+# iff we strip the leading $srcdir from $ac_aux_dir. That would be:
+# am_aux_dir='\$(top_srcdir)/'`expr "$ac_aux_dir" : "$srcdir//*\(.*\)"`
+# and then we would define $MISSING as
+# MISSING="\${SHELL} $am_aux_dir/missing"
+# This will work as long as MISSING is not called from configure, because
+# unfortunately $(top_srcdir) has no meaning in configure.
+# However there are other variables, like CC, which are often used in
+# configure, and could therefore not use this "fixed" $ac_aux_dir.
+#
+# Another solution, used here, is to always expand $ac_aux_dir to an
+# absolute PATH. The drawback is that using absolute paths prevent a
+# configured tree to be moved without reconfiguration.
+
+# Rely on autoconf to set up CDPATH properly.
+AC_PREREQ([2.50])
+
+AC_DEFUN([AM_AUX_DIR_EXPAND], [
+# expand $ac_aux_dir to an absolute path
+am_aux_dir=`cd $ac_aux_dir && pwd`
+])
+
+# AM_PROG_INSTALL_SH
+# ------------------
+# Define $install_sh.
+
+# Copyright 2001 Free Software Foundation, Inc.
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+# 02111-1307, USA.
+
+AC_DEFUN([AM_PROG_INSTALL_SH],
+[AC_REQUIRE([AM_AUX_DIR_EXPAND])dnl
+install_sh=${install_sh-"$am_aux_dir/install-sh"}
+AC_SUBST(install_sh)])
+
+# AM_PROG_INSTALL_STRIP
+
+# Copyright 2001 Free Software Foundation, Inc.
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+# 02111-1307, USA.
+
+# One issue with vendor `install' (even GNU) is that you can't
+# specify the program used to strip binaries. This is especially
+# annoying in cross-compiling environments, where the build's strip
+# is unlikely to handle the host's binaries.
+# Fortunately install-sh will honor a STRIPPROG variable, so we
+# always use install-sh in `make install-strip', and initialize
+# STRIPPROG with the value of the STRIP variable (set by the user).
+AC_DEFUN([AM_PROG_INSTALL_STRIP],
+[AC_REQUIRE([AM_PROG_INSTALL_SH])dnl
+# Installed binaries are usually stripped using `strip' when the user
+# run `make install-strip'. However `strip' might not be the right
+# tool to use in cross-compilation environments, therefore Automake
+# will honor the `STRIP' environment variable to overrule this program.
+dnl Don't test for $cross_compiling = yes, because it might be `maybe'.
+if test "$cross_compiling" != no; then
+ AC_CHECK_TOOL([STRIP], [strip], :)
+fi
+INSTALL_STRIP_PROGRAM="\${SHELL} \$(install_sh) -c -s"
+AC_SUBST([INSTALL_STRIP_PROGRAM])])
+
+# serial 4 -*- Autoconf -*-
+
+# Copyright 1999, 2000, 2001 Free Software Foundation, Inc.
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+# 02111-1307, USA.
+
+
+# There are a few dirty hacks below to avoid letting `AC_PROG_CC' be
+# written in clear, in which case automake, when reading aclocal.m4,
+# will think it sees a *use*, and therefore will trigger all it's
+# C support machinery. Also note that it means that autoscan, seeing
+# CC etc. in the Makefile, will ask for an AC_PROG_CC use...
+
+
+
+# _AM_DEPENDENCIES(NAME)
+# ----------------------
+# See how the compiler implements dependency checking.
+# NAME is "CC", "CXX", "GCJ", or "OBJC".
+# We try a few techniques and use that to set a single cache variable.
+#
+# We don't AC_REQUIRE the corresponding AC_PROG_CC since the latter was
+# modified to invoke _AM_DEPENDENCIES(CC); we would have a circular
+# dependency, and given that the user is not expected to run this macro,
+# just rely on AC_PROG_CC.
+AC_DEFUN([_AM_DEPENDENCIES],
+[AC_REQUIRE([AM_SET_DEPDIR])dnl
+AC_REQUIRE([AM_OUTPUT_DEPENDENCY_COMMANDS])dnl
+AC_REQUIRE([AM_MAKE_INCLUDE])dnl
+AC_REQUIRE([AM_DEP_TRACK])dnl
+
+ifelse([$1], CC, [depcc="$CC" am_compiler_list=],
+ [$1], CXX, [depcc="$CXX" am_compiler_list=],
+ [$1], OBJC, [depcc="$OBJC" am_compiler_list='gcc3 gcc'],
+ [$1], GCJ, [depcc="$GCJ" am_compiler_list='gcc3 gcc'],
+ [depcc="$$1" am_compiler_list=])
+
+AC_CACHE_CHECK([dependency style of $depcc],
+ [am_cv_$1_dependencies_compiler_type],
+[if test -z "$AMDEP_TRUE" && test -f "$am_depcomp"; then
+ # We make a subdir and do the tests there. Otherwise we can end up
+ # making bogus files that we don't know about and never remove. For
+ # instance it was reported that on HP-UX the gcc test will end up
+ # making a dummy file named `D' -- because `-MD' means `put the output
+ # in D'.
+ mkdir conftest.dir
+ # Copy depcomp to subdir because otherwise we won't find it if we're
+ # using a relative directory.
+ cp "$am_depcomp" conftest.dir
+ cd conftest.dir
+
+ am_cv_$1_dependencies_compiler_type=none
+ if test "$am_compiler_list" = ""; then
+ am_compiler_list=`sed -n ['s/^#*\([a-zA-Z0-9]*\))$/\1/p'] < ./depcomp`
+ fi
+ for depmode in $am_compiler_list; do
+ # We need to recreate these files for each test, as the compiler may
+ # overwrite some of them when testing with obscure command lines.
+ # This happens at least with the AIX C compiler.
+ echo '#include "conftest.h"' > conftest.c
+ echo 'int i;' > conftest.h
+ echo "${am__include} ${am__quote}conftest.Po${am__quote}" > confmf
+
+ case $depmode in
+ nosideeffect)
+ # after this tag, mechanisms are not by side-effect, so they'll
+ # only be used when explicitly requested
+ if test "x$enable_dependency_tracking" = xyes; then
+ continue
+ else
+ break
+ fi
+ ;;
+ none) break ;;
+ esac
+ # We check with `-c' and `-o' for the sake of the "dashmstdout"
+ # mode. It turns out that the SunPro C++ compiler does not properly
+ # handle `-M -o', and we need to detect this.
+ if depmode=$depmode \
+ source=conftest.c object=conftest.o \
+ depfile=conftest.Po tmpdepfile=conftest.TPo \
+ $SHELL ./depcomp $depcc -c conftest.c -o conftest.o >/dev/null 2>&1 &&
+ grep conftest.h conftest.Po > /dev/null 2>&1 &&
+ ${MAKE-make} -s -f confmf > /dev/null 2>&1; then
+ am_cv_$1_dependencies_compiler_type=$depmode
+ break
+ fi
+ done
+
+ cd ..
+ rm -rf conftest.dir
+else
+ am_cv_$1_dependencies_compiler_type=none
+fi
+])
+AC_SUBST([$1DEPMODE], [depmode=$am_cv_$1_dependencies_compiler_type])
+])
+
+
+# AM_SET_DEPDIR
+# -------------
+# Choose a directory name for dependency files.
+# This macro is AC_REQUIREd in _AM_DEPENDENCIES
+AC_DEFUN([AM_SET_DEPDIR],
+[rm -f .deps 2>/dev/null
+mkdir .deps 2>/dev/null
+if test -d .deps; then
+ DEPDIR=.deps
+else
+ # MS-DOS does not allow filenames that begin with a dot.
+ DEPDIR=_deps
+fi
+rmdir .deps 2>/dev/null
+AC_SUBST([DEPDIR])
+])
+
+
+# AM_DEP_TRACK
+# ------------
+AC_DEFUN([AM_DEP_TRACK],
+[AC_ARG_ENABLE(dependency-tracking,
+[ --disable-dependency-tracking Speeds up one-time builds
+ --enable-dependency-tracking Do not reject slow dependency extractors])
+if test "x$enable_dependency_tracking" != xno; then
+ am_depcomp="$ac_aux_dir/depcomp"
+ AMDEPBACKSLASH='\'
+fi
+AM_CONDITIONAL([AMDEP], [test "x$enable_dependency_tracking" != xno])
+AC_SUBST([AMDEPBACKSLASH])
+])
+
+# Generate code to set up dependency tracking. -*- Autoconf -*-
+
+# Copyright 1999, 2000, 2001, 2002 Free Software Foundation, Inc.
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+# 02111-1307, USA.
+
+#serial 2
+
+# _AM_OUTPUT_DEPENDENCY_COMMANDS
+# ------------------------------
+AC_DEFUN([_AM_OUTPUT_DEPENDENCY_COMMANDS],
+[for mf in $CONFIG_FILES; do
+ # Strip MF so we end up with the name of the file.
+ mf=`echo "$mf" | sed -e 's/:.*$//'`
+ # Check whether this is an Automake generated Makefile or not.
+ # We used to match only the files named `Makefile.in', but
+ # some people rename them; so instead we look at the file content.
+ # Grep'ing the first line is not enough: some people post-process
+ # each Makefile.in and add a new line on top of each file to say so.
+ # So let's grep whole file.
+ if grep '^#.*generated by automake' $mf > /dev/null 2>&1; then
+ dirpart=`AS_DIRNAME("$mf")`
+ else
+ continue
+ fi
+ grep '^DEP_FILES *= *[[^ @%:@]]' < "$mf" > /dev/null || continue
+ # Extract the definition of DEP_FILES from the Makefile without
+ # running `make'.
+ DEPDIR=`sed -n -e '/^DEPDIR = / s///p' < "$mf"`
+ test -z "$DEPDIR" && continue
+ # When using ansi2knr, U may be empty or an underscore; expand it
+ U=`sed -n -e '/^U = / s///p' < "$mf"`
+ test -d "$dirpart/$DEPDIR" || mkdir "$dirpart/$DEPDIR"
+ # We invoke sed twice because it is the simplest approach to
+ # changing $(DEPDIR) to its actual value in the expansion.
+ for file in `sed -n -e '
+ /^DEP_FILES = .*\\\\$/ {
+ s/^DEP_FILES = //
+ :loop
+ s/\\\\$//
+ p
+ n
+ /\\\\$/ b loop
+ p
+ }
+ /^DEP_FILES = / s/^DEP_FILES = //p' < "$mf" | \
+ sed -e 's/\$(DEPDIR)/'"$DEPDIR"'/g' -e 's/\$U/'"$U"'/g'`; do
+ # Make sure the directory exists.
+ test -f "$dirpart/$file" && continue
+ fdir=`AS_DIRNAME(["$file"])`
+ AS_MKDIR_P([$dirpart/$fdir])
+ # echo "creating $dirpart/$file"
+ echo '# dummy' > "$dirpart/$file"
+ done
+done
+])# _AM_OUTPUT_DEPENDENCY_COMMANDS
+
+
+# AM_OUTPUT_DEPENDENCY_COMMANDS
+# -----------------------------
+# This macro should only be invoked once -- use via AC_REQUIRE.
+#
+# This code is only required when automatic dependency tracking
+# is enabled. FIXME. This creates each `.P' file that we will
+# need in order to bootstrap the dependency handling code.
+AC_DEFUN([AM_OUTPUT_DEPENDENCY_COMMANDS],
+[AC_CONFIG_COMMANDS([depfiles],
+ [test x"$AMDEP_TRUE" != x"" || _AM_OUTPUT_DEPENDENCY_COMMANDS],
+ [AMDEP_TRUE="$AMDEP_TRUE" ac_aux_dir="$ac_aux_dir"])
+])
+
+# Copyright 2001 Free Software Foundation, Inc. -*- Autoconf -*-
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+# 02111-1307, USA.
+
+# serial 2
+
+# AM_MAKE_INCLUDE()
+# -----------------
+# Check to see how make treats includes.
+AC_DEFUN([AM_MAKE_INCLUDE],
+[am_make=${MAKE-make}
+cat > confinc << 'END'
+doit:
+ @echo done
+END
+# If we don't find an include directive, just comment out the code.
+AC_MSG_CHECKING([for style of include used by $am_make])
+am__include="#"
+am__quote=
+_am_result=none
+# First try GNU make style include.
+echo "include confinc" > confmf
+# We grep out `Entering directory' and `Leaving directory'
+# messages which can occur if `w' ends up in MAKEFLAGS.
+# In particular we don't look at `^make:' because GNU make might
+# be invoked under some other name (usually "gmake"), in which
+# case it prints its new name instead of `make'.
+if test "`$am_make -s -f confmf 2> /dev/null | fgrep -v 'ing directory'`" = "done"; then
+ am__include=include
+ am__quote=
+ _am_result=GNU
+fi
+# Now try BSD make style include.
+if test "$am__include" = "#"; then
+ echo '.include "confinc"' > confmf
+ if test "`$am_make -s -f confmf 2> /dev/null`" = "done"; then
+ am__include=.include
+ am__quote="\""
+ _am_result=BSD
+ fi
+fi
+AC_SUBST(am__include)
+AC_SUBST(am__quote)
+AC_MSG_RESULT($_am_result)
+rm -f confinc confmf
+])
+
+# AM_CONDITIONAL -*- Autoconf -*-
+
+# Copyright 1997, 2000, 2001 Free Software Foundation, Inc.
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+# 02111-1307, USA.
+
+# serial 5
+
+AC_PREREQ(2.52)
+
+# AM_CONDITIONAL(NAME, SHELL-CONDITION)
+# -------------------------------------
+# Define a conditional.
+AC_DEFUN([AM_CONDITIONAL],
+[ifelse([$1], [TRUE], [AC_FATAL([$0: invalid condition: $1])],
+ [$1], [FALSE], [AC_FATAL([$0: invalid condition: $1])])dnl
+AC_SUBST([$1_TRUE])
+AC_SUBST([$1_FALSE])
+if $2; then
+ $1_TRUE=
+ $1_FALSE='#'
+else
+ $1_TRUE='#'
+ $1_FALSE=
+fi
+AC_CONFIG_COMMANDS_PRE(
+[if test -z "${$1_TRUE}" && test -z "${$1_FALSE}"; then
+ AC_MSG_ERROR([conditional \"$1\" was never defined.
+Usually this means the macro was only invoked conditionally.])
+fi])])
+
+# Like AC_CONFIG_HEADER, but automatically create stamp file. -*- Autoconf -*-
+
+# Copyright 1996, 1997, 2000, 2001 Free Software Foundation, Inc.
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+# 02111-1307, USA.
+
+AC_PREREQ([2.52])
+
+# serial 6
+
+# When config.status generates a header, we must update the stamp-h file.
+# This file resides in the same directory as the config header
+# that is generated. We must strip everything past the first ":",
+# and everything past the last "/".
+
+# _AM_DIRNAME(PATH)
+# -----------------
+# Like AS_DIRNAME, only do it during macro expansion
+AC_DEFUN([_AM_DIRNAME],
+ [m4_if(regexp([$1], [^.*[^/]//*[^/][^/]*/*$]), -1,
+ m4_if(regexp([$1], [^//\([^/]\|$\)]), -1,
+ m4_if(regexp([$1], [^/.*]), -1,
+ [.],
+ patsubst([$1], [^\(/\).*], [\1])),
+ patsubst([$1], [^\(//\)\([^/].*\|$\)], [\1])),
+ patsubst([$1], [^\(.*[^/]\)//*[^/][^/]*/*$], [\1]))[]dnl
+])# _AM_DIRNAME
+
+
+# The stamp files are numbered to have different names.
+# We could number them on a directory basis, but that's additional
+# complications, let's have a unique counter.
+m4_define([_AM_STAMP_Count], [0])
+
+
+# _AM_STAMP(HEADER)
+# -----------------
+# The name of the stamp file for HEADER.
+AC_DEFUN([_AM_STAMP],
+[m4_define([_AM_STAMP_Count], m4_incr(_AM_STAMP_Count))dnl
+AS_ESCAPE(_AM_DIRNAME(patsubst([$1],
+ [:.*])))/stamp-h[]_AM_STAMP_Count])
+
+
+# _AM_CONFIG_HEADER(HEADER[:SOURCES], COMMANDS, INIT-COMMANDS)
+# ------------------------------------------------------------
+# We used to try to get a real timestamp in stamp-h. But the fear is that
+# that will cause unnecessary cvs conflicts.
+AC_DEFUN([_AM_CONFIG_HEADER],
+[# Add the stamp file to the list of files AC keeps track of,
+# along with our hook.
+AC_CONFIG_HEADERS([$1],
+ [# update the timestamp
+echo 'timestamp for $1' >"_AM_STAMP([$1])"
+$2],
+ [$3])
+])# _AM_CONFIG_HEADER
+
+
+# AM_CONFIG_HEADER(HEADER[:SOURCES]..., COMMANDS, INIT-COMMANDS)
+# --------------------------------------------------------------
+AC_DEFUN([AM_CONFIG_HEADER],
+[AC_FOREACH([_AM_File], [$1], [_AM_CONFIG_HEADER(_AM_File, [$2], [$3])])
+])# AM_CONFIG_HEADER
+
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new file mode 100644
index 0000000..95285a3
--- /dev/null
+++ b/btk/Makefile.am
@@ -0,0 +1 @@
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new file mode 100644
index 0000000..486b3d0
--- /dev/null
+++ b/btk/Makefile.in
@@ -0,0 +1,322 @@
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+# Copyright 1994, 1995, 1996, 1997, 1998, 1999, 2000, 2001, 2002
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+# This Makefile.in is free software; the Free Software Foundation
+# gives unlimited permission to copy and/or distribute it,
+# with or without modifications, as long as this notice is preserved.
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new file mode 100644
index 0000000..6bc5dc9
--- /dev/null
+++ b/btk/core/Makefile.am
@@ -0,0 +1,100 @@
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diff --git a/btk/core/Makefile.in b/btk/core/Makefile.in
new file mode 100644
index 0000000..f62e5cf
--- /dev/null
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@@ -0,0 +1,630 @@
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+# This program is distributed in the hope that it will be useful,
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+ distclean-depend distclean-generic distclean-tags distdir dvi \
+ dvi-am info info-am install install-am install-data \
+ install-data-am install-exec install-exec-am install-info \
+ install-info-am install-man install-nobase_pkgincludeHEADERS \
+ install-pkglibLIBRARIES install-strip installcheck \
+ installcheck-am installdirs maintainer-clean \
+ maintainer-clean-generic mostlyclean mostlyclean-compile \
+ mostlyclean-generic tags uninstall uninstall-am \
+ uninstall-info-am uninstall-nobase_pkgincludeHEADERS \
+ uninstall-pkglibLIBRARIES
+
+
+install-exec-hook:
+ if [ -e $(pkglibdir)/libbtk_core.a ]; \
+ then rm -f $(pkglibdir)/libbtk_core.a; fi
+ cd $(pkglibdir) && @LN_S@ libbtk_core_ at VERSION@.a libbtk_core.a
+
+install-data-hook:
+ if [ -e $(includedir)/btk/core ]; \
+ then rm -f $(includedir)/btk/core; fi
+ cd $(includedir)/btk && @LN_S@ @PACKAGE at _@VERSION@ core
+
+uninstall-hook:
+ cd $(pkglibdir) && rm -f libbtk_core.a
+ cd $(includedir)/btk && rm -fr core @PACKAGE at _@VERSION@
+# Tell versions [3.59,3.63) of GNU make to not export all variables.
+# Otherwise a system limit (for SysV at least) may be exceeded.
+.NOEXPORT:
diff --git a/btk/core/algorithms/predicates.hpp b/btk/core/algorithms/predicates.hpp
new file mode 100644
index 0000000..013701e
--- /dev/null
+++ b/btk/core/algorithms/predicates.hpp
@@ -0,0 +1,152 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005-2006, Tim Robertson <kid50 at users.sourceforge.net>,
+// Chris Saunders <ctsa at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file predicates.hpp
+/// \brief Functions and functors for atom/molecule selection.
+
+#ifndef BTK_ALGORITHMS_PREDICATES_HPP
+#define BTK_ALGORITHMS_PREDICATES_HPP
+
+#include <string>
+
+namespace BTK {
+namespace ALGORITHMS {
+
+/// \brief Indiscriminate predicate.
+/// Always returns true.
+struct is_any {
+ template <typename T>
+ bool operator()(T const & t){
+ return true;
+ }
+};
+
+/// Selection predicate.
+/// Returns true iff the target object is selected.
+struct is_selected {
+ template <typename T>
+ bool operator()(T const & t){
+ return t.selected();
+ }
+};
+
+/// Inverse selection predicate.
+/// Returns true iff the target object is not selected.
+struct is_not_selected {
+ template <typename T>
+ bool operator()(T const & t) {
+ return !t.selected();
+ }
+};
+
+/// \brief Name predicate.
+/// Returns true iff the target object has a particular name.
+/// (For a more efficient option, see the type_is predicate).
+struct is_named {
+ is_named() {}
+ is_named(std::string const & name) :
+ _name(name) {}
+
+ template <typename T>
+ bool operator()(T const & t) {
+ return (t.name() == _name);
+ }
+
+ template <typename T>
+ bool operator()(T const & t, std::string const & s) {
+ return (t.name() == s);
+ }
+
+ std::string _name;
+};
+
+/// \brief Type predicate.
+/// Returns true iff the target object has a particular type.
+/// Because type IDs can be any class, structure or value type
+/// in the BTK, this predicate is a template, parameterized on the
+/// type ID type of the target object.
+template <typename IDType>
+struct type_is {
+ type_is() {}
+ type_is(IDType t) :
+ _t(t) {}
+
+ template <typename T>
+ bool operator()(T const & t) {
+ return (t.type() == _t);
+ }
+
+ template <typename T>
+ bool operator()(T const & t, IDType const & id) {
+ return (t.type() == id);
+ }
+
+ IDType _t;
+};
+
+/// \brief Chain ID predicate.
+/// Returns true iff the target object has a particular chain ID.
+/// Chain ID values are always characters in the BTK.
+struct chain_id_is {
+ chain_id_is() {}
+ chain_id_is(char chain_id) : _c(chain_id) {}
+
+ template <typename T>
+ bool operator()(T const & t) {
+ return (t.chain_id() == _c);
+ }
+
+ template <typename T>
+ bool operator()(T const & t, char c) {
+ return (t.chain_id() == c);
+ }
+
+ char _c;
+};
+
+/// \brief Number predicate.
+/// Returns true iff the target object has a particular number.
+template <typename NumType = int>
+struct number_is {
+
+ number_is() {}
+ number_is(NumType t) : _number(t) {}
+
+ template <typename T>
+ bool operator()(T const & t) {
+ return (t.number() == _number);
+ }
+
+ template <typename T>
+ bool operator()(T const & t, NumType const & n)
+ {
+ return (t.number() == n);
+ }
+
+ NumType _number;
+};
+
+} // namespace ALGORITHMS
+} // namespace BTK
+
+#endif
+
+
diff --git a/btk/core/algorithms/properties.hpp b/btk/core/algorithms/properties.hpp
new file mode 100644
index 0000000..e2df1de
--- /dev/null
+++ b/btk/core/algorithms/properties.hpp
@@ -0,0 +1,89 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005-2006, Tim Robertson <kid50 at users.sourceforge.net>,
+// Chris Saunders <ctsa at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file properties.hpp
+/// \brief Methods that compute interesting properties of molecules.
+
+#ifndef BTK_ALGORITHMS_PROPERTIES_HPP
+#define BTK_ALGORITHMS_PROPERTIES_HPP
+
+#include <iterator>
+
+#include <btk/core/math/btk_vector.hpp>
+#include <btk/core/math/btk_matrix.hpp>
+#include <btk/core/math/linear_algebra.hpp>
+
+namespace BTK {
+namespace ALGORITHMS {
+
+/// \name Molecular geometric properties
+/// \brief Methods for computing geometric properties of atomic structures.
+///
+/// These are iterator-based methods for computing geometric properties
+/// of atomic structures, such as principal axes and geometric centers.
+/// They will work with any iterator that is a model of the AtomIterator
+/// concept.
+//@{
+
+/// \brief Compute the geometric center of a range of atoms.
+///
+/// Calculates the geometric center of atoms in the range
+/// [first,last).
+template <typename AtomIterator>
+BTK::MATH::BTKVector
+geometric_center(AtomIterator begin,
+ AtomIterator end)
+ {
+ typedef typename std::iterator_traits<AtomIterator>::value_type InputT;
+
+ BTK::MATH::BTKVector COM(0,0,0);
+ unsigned N = 0;
+ for(AtomIterator i=begin;i!=end;++i,++N){ COM += i->position(); }
+
+ return COM/N;
+ }
+
+// template <typename AtomIterator>
+// void
+// principal_axes(AtomIterator begin,
+// AtomIterator end,
+// std::vector<BTK::MATH::EigenState>& axes,
+// BTK::MATH::BTKVector & center)
+// {
+// center = geometric_center(begin,end);
+
+// BTK::MATH::BTKMatrix covar(3,3);
+// covar.clear();
+
+// for(AtomIterator i = begin; i != end; ++i){
+// BTK::MATH::BTKVector tmp(i->position() - center);
+// covar += outer_prod(tmp,tmp);
+// }
+
+// axes = diagonalize_symmetric(covar);
+// }
+
+//@}
+
+} // namespace ALGORITHMS
+} // namespace BTK
+
+#endif
diff --git a/btk/core/algorithms/rmsd.cpp b/btk/core/algorithms/rmsd.cpp
new file mode 100644
index 0000000..4cb1ea0
--- /dev/null
+++ b/btk/core/algorithms/rmsd.cpp
@@ -0,0 +1,134 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2001-2006, Chris Saunders <ctsa at users.sourceforge.net>,
+// Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <btk/core/algorithms/rmsd.hpp>
+
+void
+BTK::ALGORITHMS::internal::
+fast_solve_3D_eigenvectors(BTK::MATH::BTKMatrix & M,
+ double const evalues[3],
+ BTK::MATH::BTKVector evecs[3])
+{
+ unsigned ev1,ev2;
+ using BTK::MATH::equivalent;
+ using BTK::MATH::cross;
+ using boost::numeric::ublas::row;
+
+
+ if (!equivalent(evalues[0],evalues[1])) {
+ // eigenvalues 1 and 2 are unique, so use these.
+ ev1 = 0;
+ ev2 = 1;
+ } else if (!equivalent(evalues[1],evalues[2])) {
+ // eigenvalues 1 and 2 are identical, but 2 and 3 are unique.
+ ev1 = 1;
+ ev2 = 2;
+ } else {
+ // all three eigenvalues equal. eigenvectors are trivial.
+ evecs[0][0] = 1;
+ evecs[0][1] = evecs[0][2] = 0;
+
+ evecs[1][1] = 1;
+ evecs[1][0] = evecs[1][2] = 0;
+
+ evecs[2][2] = 1;
+ evecs[2][0] = evecs[2][1] = 0;
+
+ return;
+ }
+
+ // compute first two eigenvectors
+ // (the vectors corresponding to the largest unequal eigenvalues)
+ for (unsigned i = ev1; i <= ev2; ++i) {
+ M(0,0) -= evalues[i];
+ M(1,1) -= evalues[i];
+
+ evecs[i] = cross(row(M,0),row(M,1));
+ evecs[i] /= norm_2(evecs[i]);
+
+ M(0,0) += evalues[i];
+ M(1,1) += evalues[i];
+ }
+
+ // compute third eigenvector as cross of first two,
+ // in order to guarantee an orthogonal system.
+ if (ev2 == 1) {
+ // third vector = vector 3
+ evecs[2] = cross(evecs[0],evecs[1]);
+ } else if (ev2 == 2) {
+ // third vector = vector 1
+ evecs[0] = cross(evecs[1],evecs[2]);
+ }
+}
+
+void
+BTK::ALGORITHMS::internal::
+fast_solve_3D_eigenvalues(BTK::MATH::BTKMatrix const & M,
+ double e_vals[3])
+{
+ // get elements we need from symmetric matrix M:
+ // (funky matrix naming relic of first attempt using pivots)
+ // matrix = d0 e0 f0
+ // d1 e1
+ // d2
+ //
+ // (also: Normalize matrix so that cubic root algorithm can handle it.)
+ double d0 = M(0,0);
+ double e0 = M(0,1) / d0;
+ double f0 = M(0,2) / d0;
+ double d1 = M(1,1) / d0;
+ double e1 = M(1,2) / d0;
+ double d2 = M(2,2) / d0;
+
+ // analytic solution of cubic roots using method of Viete
+ // (see Numerical Recipes)
+ {
+ // solving for eigenvalues as det(M-I*lambda) = 0
+ // yields the values below corresponding to:
+ // lambda**3 + B*lambda**2 + C*lambda + D = 0
+ // (given that d0=1.)
+ double B = -1-d1-d2;
+ double C = d1+d2+d1*d2-e0*e0-f0*f0-e1*e1;
+ double D = e0*e0*d2+e1*e1+f0*f0*d1-d1*d2-2*e0*f0*e1;
+
+ double q = (B*B-3.0*C)/9.0;
+ double q3 = q*q*q;
+ double r = (2.0*B*B*B-9.0*B*C+27.0*D)/54.0;
+ double theta = acos(r/sqrt(q3));
+
+ e_vals[0] = e_vals[1] = e_vals[2] = -2.0*sqrt(q);
+
+ e_vals[0] *= cos(theta/3.0);
+ e_vals[1] *= cos((theta+2*BTK::MATH::PI)/3.0);
+ e_vals[2] *= cos((theta-2*BTK::MATH::PI)/3.0);
+
+ double b = B/3.0;
+
+ e_vals[0] -= b;
+ e_vals[1] -= b;
+ e_vals[2] -= b;
+ }
+
+ // undo the d0 norm to get eigenvalues
+ e_vals[0] = e_vals[0] * d0;
+ e_vals[1] = e_vals[1] * d0;
+ e_vals[2] = e_vals[2] * d0;
+}
diff --git a/btk/core/algorithms/rmsd.hpp b/btk/core/algorithms/rmsd.hpp
new file mode 100644
index 0000000..8475ac7
--- /dev/null
+++ b/btk/core/algorithms/rmsd.hpp
@@ -0,0 +1,647 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2001-2006, Chris Saunders <ctsa at users.sourceforge.net>,
+// Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file rmsd.hpp
+/// \brief Functions for molecular superposition and RMSD calculations.
+
+#ifndef BTK_ALGORITHMS_RMSD_HPP
+#define BTK_ALGORITHMS_RMSD_HPP
+
+#include <cmath>
+#include <functional>
+#include <algorithm>
+
+#include <btk/core/math/btk_vector.hpp>
+#include <btk/core/math/btk_matrix.hpp>
+#include <btk/core/math/linear_algebra.hpp>
+
+namespace BTK {
+namespace ALGORITHMS {
+
+/// \defgroup SuperpositionMethods Structure superposition and RMSD calculations.
+/// \brief Methods for superimposing atomic structures.
+///
+/// These are iterator-based methods for optimally superimposing atomic
+/// structures, computing the RMSD between atomic structures, or both. For
+/// more information on the theory behind these methods, see this discussion
+/// of the \ref rmsd_theory "mathematics of RMSD".
+///
+
+#ifndef DOXYGEN_SHOULD_SKIP_THIS
+namespace internal {
+
+// This routine will calculate the eigenvectors corresponding
+// to pre-calculated eigenvalues for use in RMSD calculations.
+// It is not intended to be a solution to the full eigenvector
+// calculation problem for 3D matrices.
+//
+// I think this will work for any 3D matrix that produces three
+// real eigenvalues, but I make no guarantees. For RMSD calculations,
+// it will work b/c we know that we are dealing with three orthogonal
+// real vectors. If you can't make that assumption
+// in your application, don't use this code!
+//
+// The code checks for eigenvalues with multiplicity > 1, but the
+// method used in this case may not be correct, so be careful (as I've
+// already said, this won't be the case for 3D structural data).
+//
+void fast_solve_3D_eigenvectors(BTK::MATH::BTKMatrix & M,
+ double const evalues[3],
+ BTK::MATH::BTKVector evecs[3]);
+
+// Solve eigenvalues (ev) for a 3x3 matrix M quickly by analytically
+// finding roots of the characteristic equation: det(M - evI) = 0.
+//
+// It is possible that the factorization used here
+// is numerically unstable (but it likely doesn't matter for RMSD
+// calculations). At the present time, there are no checks or
+// warnings on the quality of the result.
+void fast_solve_3D_eigenvalues(BTK::MATH::BTKMatrix const & M,
+ double e_vals[3]);
+
+
+// Solves the determinant for a 3x3 matrix -- not general!
+inline double determinant(BTK::MATH::BTKMatrix const & M)
+{
+ using boost::numeric::ublas::inner_prod;
+ using BTK::MATH::cross;
+ return inner_prod(row(M,0),cross(row(M,1),row(M,2)));
+}
+
+template <typename AtomIterator1, typename AtomIterator2>
+ void
+ setup_rmsd(AtomIterator1 first1,
+ AtomIterator1 last1,
+ AtomIterator2 first2,
+ AtomIterator2 last2,
+ BTK::MATH::BTKVector & T1,
+ BTK::MATH::BTKVector & T2,
+ BTK::MATH::BTKMatrix & R,
+ BTK::MATH::BTKMatrix & RtR,
+ double & Eo,
+ unsigned & N,
+ double & omega,
+ double e_vals[3])
+{
+ // Get T1, the transform from the moved set COM to the origin
+ // & T2, the transform from the origin to the fixed set COM
+ T1 = BTK::MATH::BTKVector(0.0);
+ T2 = BTK::MATH::BTKVector(0.0);
+ AtomIterator1 i1(first1);
+ AtomIterator2 i2(first2);
+
+ for (N = 0;
+ i1 != last1 && i2 != last2;
+ ++i1,++i2) {
+ T1 += i2->position();
+ T2 += i1->position();
+ N++;
+ }
+
+ if (i2 != last2 || i1 != last1) {
+ std::cerr << "Warning: attempting to compute RMSD between "
+ << "structures of different lengths! " << std::endl
+ << "Assuming atom length of smaller structure (" << N << ")...."
+ << std::endl;
+ }
+
+ T1 /= -1.*static_cast<double>(N);
+ T2 /= static_cast<double>(N);
+
+ //
+ // Get Eo and R
+ //
+ int i = 0;
+ BTK::MATH::BTKMatrix tmp1(3,N),tmp2(3,N);
+ for (i1 = first1, i2 = first2;
+ i1 != last1 && i2 != last2;
+ ++i1,++i2) {
+ column(tmp1,i) = i1->position() - T2;
+ column(tmp2,i) = i2->position() + T1;
+ i++;
+ }
+
+ Eo = 0;
+ for (unsigned j = 0; j < 3; ++j) {
+ Eo += inner_prod(row(tmp1,j),row(tmp1,j)) +
+ inner_prod(row(tmp2,j),row(tmp2,j));
+ for (unsigned k = 0; k < 3; ++k) {
+ R(j,k) = inner_prod(row(tmp1,j),row(tmp2,k));
+ }
+ }
+ Eo /= 2.0;
+
+ // if det(R) < 0, the rotation is degenerate (a flip).
+ if (determinant(R) > 0) omega = 1;
+ else omega = -1;
+
+ RtR = prec_prod(trans(R),R);
+
+ internal::fast_solve_3D_eigenvalues(RtR,e_vals);
+
+ // The eigenvalues of R (what we really want) are equal to the square root
+ // of the eigenvalues of RtR. The fast eigenvalue routine is somewhat
+ // unstable, and the if statements correct for small-magnitude negative
+ // values that will occasionally come out of the routine when the true
+ // eigenvalue is zero (b/c RtR is a positive definite symmetric real matrix
+ // we know in advance that its eigenvalues will always be real and posiive,
+ // so this correction is always mathematically valid.)
+ for (unsigned i = 0; i < 3; ++i) {
+ if (e_vals[i] > 0) e_vals[i] = std::sqrt(e_vals[i]);
+ else e_vals[i] = 0.0;
+ }
+
+ std::sort(e_vals,e_vals + 3,
+ std::greater<double>());
+}
+
+} // namespace internal
+#endif // DOXYGEN_SHOULD_SKIP_THIS
+
+/// \brief Calculate the transformation resulting in the least-squares
+/// superposition of two atom sets.
+///
+/// \ingroup SuperpositionMethods
+///
+/// Calculates the least-squares superposition of two sets of atoms
+/// using the method of Kabsch (Acta Cryst., 1978. A34, 827-828).
+///
+/// The transformation of the second atom set to the superimposed
+/// position can be recreated from the rotation matrix \f$U\f$ and the
+/// translation vector \f$T\f$ by \f$ x'_i = U x_i + T \f$
+///
+/// \param U After return, contains the superposition rotation matrix.
+/// \param T After return, contains superposition translation vector.
+/// \param rmsd After return, contains the RMSD of the superimposed sets.
+///
+template <typename AtomIterator1, typename AtomIterator2>
+double
+leastsquares_superposition(AtomIterator1 fixed_first,
+ AtomIterator1 fixed_last,
+ AtomIterator2 superimpose_first,
+ AtomIterator2 superimpose_last,
+ BTK::MATH::BTKMatrix & U,
+ BTK::MATH::BTKVector & T)
+ {
+ double Eo, omega;
+ double e_vals[3];
+ BTK::MATH::BTKMatrix R,RtR;
+ BTK::MATH::BTKVector T1;
+ BTK::MATH::BTKVector T2;
+ unsigned N;
+
+ internal::setup_rmsd(fixed_first,
+ fixed_last,
+ superimpose_first,
+ superimpose_last,
+ T1,T2,R,RtR,Eo,N,
+ omega,e_vals);
+
+ BTK::MATH::BTKVector right_evecs[3];
+
+ // In order to create the rotation matrix, we need the
+ // eigenvectors of the RtR matrix. To do this, we need
+ // the eigenvalues of this matrix. These are the
+ // squares of the eigenvalues of R.
+ e_vals[0] *= e_vals[0];
+ e_vals[1] *= e_vals[1];
+ e_vals[2] *= e_vals[2];
+
+ internal::fast_solve_3D_eigenvectors(RtR,e_vals,right_evecs);
+
+ // Useful algorithm information:
+ // The eigenvectors of RtR are equivalent to the right eigenvectors of
+ // matrix R. We need the left eigenvectors of R, which are determined by
+ // Left = R * Right.
+ BTK::MATH::BTKVector left_evecs[3];
+
+ left_evecs[0] = prec_prod(R,right_evecs[0]);
+ left_evecs[1] = prec_prod(R,right_evecs[1]);
+
+ // normalize the vectors
+ left_evecs[0] /= norm_2(left_evecs[0]);
+ left_evecs[1] /= norm_2(left_evecs[1]);
+
+ // in order to guarantee a right-handed system, we'll
+ // determine the Z vector as the cross of X and Y.
+ left_evecs[2] = cross(left_evecs[0],left_evecs[1]);
+
+ // Construct the optimal rotation matrix.
+ //
+ // More algorithm details:
+ // The optimal rotation matrix is the product of matrices
+ // containing the left and right eigenvectors of RtR.
+ //
+ // Said another way: if RtR = BSV
+ // (this is the result of singular value decomposition on RtR)
+ // the optimal rotation is U = B * t(V)
+ //
+ U.clear();
+ for (unsigned i = 0; i < 3; ++i) {
+ for (unsigned j = 0; j < 3; ++j) {
+ U(i,j) = (left_evecs[0][i]*right_evecs[0][j]) +
+ (left_evecs[1][i]*right_evecs[1][j]) +
+ (left_evecs[2][i]*right_evecs[2][j]);
+ }
+ }
+
+ // construct the post-rotation translation vector
+ T = prec_prod(U,T1)+T2;
+
+
+ // compute the rmsd between the aligned structures.
+ double rmsd = (2.0/static_cast<double>(N))*
+ (Eo - e_vals[0] - e_vals[1] - omega*e_vals[2]);
+
+ double const sqrt_min = 1e-8;
+ if(rmsd > sqrt_min) { rmsd = std::sqrt(rmsd); }
+ else { rmsd = 0; }
+
+ return rmsd;
+}
+
+/// \brief Applies the least-squares superposition of two atom sets to a
+/// third atom set.
+///
+/// \ingroup SuperpositionMethods
+///
+/// Applies the least squares transformation of atom set 'superimpose'
+/// onto atom set 'fixed' to atom set 'transform'.
+///
+/// \returns The RMSD between atom sets 'superimpose' and 'fixed'.
+///
+template <typename AtomIterator1, typename AtomIterator2, typename AtomIterator3>
+double
+leastsquares_superposition(AtomIterator1 fixed_first,
+ AtomIterator1 fixed_last,
+ AtomIterator2 superimpose_first,
+ AtomIterator2 superimpose_last,
+ AtomIterator3 transform_first,
+ AtomIterator3 transform_last)
+{
+ BTK::MATH::BTKVector T;
+ BTK::MATH::BTKMatrix U;
+ double rmsd =
+ leastsquares_superposition(fixed_first,fixed_last,
+ superimpose_first,superimpose_last,
+ U,T);
+
+ for(AtomIterator3 ai=transform_first; ai != transform_last; ++ai)
+ ai->set_position(prec_prod(U,ai->position())+T);
+
+ return rmsd;
+}
+
+/// \brief Calculate the superimposed RMSD of two atom sets.
+///
+/// \ingroup SuperpositionMethods
+///
+/// This method computes the optimal superposition of all atoms in the range
+/// [a1_first,a1_last) to all atoms in the range [a2_first,a2_last),
+/// and returns the RMSD value between the superimposed atoms.
+/// If the two sets of atoms are of unequal size, the calculation will
+/// be performed over the number of atoms in the smaller set.
+///
+template <typename AtomIterator1, typename AtomIterator2>
+double
+get_rmsd(AtomIterator1 a1_first,
+ AtomIterator1 a1_last,
+ AtomIterator2 a2_first,
+ AtomIterator2 a2_last)
+{
+ double Eo, omega;
+ double e_vals[3];
+ BTK::MATH::BTKMatrix R,RtR;
+ unsigned N;
+ BTK::MATH::BTKVector T1,T2;
+
+ internal::setup_rmsd(a1_first,a1_last,a2_first,a2_last,
+ T1,T2,R,RtR,Eo,N,omega,e_vals);
+
+ double rmsd = (2.0/static_cast<double>(N))*
+ (Eo - e_vals[0] - e_vals[1] - omega*e_vals[2]);
+
+ double const sqrt_min = 1e-8;
+ if(rmsd > sqrt_min) { rmsd = std::sqrt(rmsd); }
+ else { rmsd = 0; }
+
+ return rmsd;
+}
+
+/// \brief calculate the trivial (non-superimposed) RMSD between two atom sets.
+///
+/// \ingroup SuperpositionMethods
+///
+/// Same as get_rmsd(), but sets [a1_first,a1_last) and [a2_first,a2_last) are
+/// not superimposed prior to the RMSD calculation.
+///
+template <typename AtomIterator1, typename AtomIterator2>
+double
+get_trivial_rmsd(AtomIterator1 a1_first,
+ AtomIterator1 a1_last,
+ AtomIterator2 a2_first,
+ AtomIterator2 a2_last)
+{
+ double rmsd2 = 0.;
+ unsigned N = 0;
+
+ AtomIterator1 a1 = a1_first;
+ AtomIterator2 a2 = a2_first;
+
+ for(;a1!=a1_last && a2!=a2_last;++a1,++a2){
+ BTK::MATH::BTKVector v(a1->position()-a2->position());
+ rmsd2 += inner_prod(v,v);
+ N++;
+ }
+
+ if(a1!=a1_last || a2!=a2_last) {
+ std::cerr << "Warning: attempting to compute RMSD between "
+ << "structures of different lengths! " << std::endl
+ << "Assuming atom length of smaller structure (" << N << ")...."
+ << std::endl;
+ }
+
+ if(N) rmsd2 /= static_cast<double>(N);
+
+ double const sqrt_min = 1e-8;
+ if(rmsd2 > sqrt_min) { rmsd2 = std::sqrt(rmsd2); }
+ else { rmsd2 = 0; }
+
+ return rmsd2;
+}
+
+} // ALGORITHMS
+} // BTK
+
+/**
+ \page rmsd_theory The Theory Behind Root Mean Squared Deviation (RMSD)
+
+ <em>
+ (note: this page was adapted, with permission, from Bosco Ho's
+ discussion of RMSD, originally available at
+ http://bosco.infogami.com/Root_Mean_Square_Deviation)</em>
+
+ If it's your day job to push proteins in silico then you will one day have
+ to calculate the RMSD of a protein. For example, you've just simulated the
+ protein GinormousA for a whole micro-second, but you don't even know if
+ GinormousA is stable. Sure, you could load up a protein viewer and eyeball the
+ stability of the protein throughout the simulation. But eye-balling is just
+ not going to cut it with your boss -- you need to slap a number on it. This is
+ where RMSD comes in. RMSD is a quantitative measurement of difference between
+ two atomic structures.
+
+ A molecule's conformation is basically a set of 3-dimensional coordinates.
+ This means that a conformation is a set of \f$N\f$ vectors, \f$x_n\f$, where
+ each \f$x_n\f$ has three components. As the molecular conformation changes,
+ therefore, the result is a new set of vectors \f$y_n\f$. We can capture the
+ the differences between conformations using these two sets of vectors.
+
+ To make life easier, we first shift the center of mass of \f$y_n\f$ and
+ \f$x_n\f$ to the origin of the coordinate system (we can always shift them back
+ afterwards). Once "centered," the differences between the vector sets can be
+ captured by the total squared distance between them:
+
+ \f[
+ E = \sum_n{|x_n - y_n|^2}
+ \f]
+
+ The root mean-square deviation (RMSD) is then:
+
+ \f[
+ RMSD = \sqrt{\frac{E}{N}}
+ \f]
+
+ But hola, you say...this mean-square measure doesn't measure similarity
+ very well! After all, any rotation of the set of \f$y_n\f$ (which doesn't
+ change the internal arrangement of \f$y_n\f$), would distort the RMSD! What we
+ really need, then, is to find the best rotation of \f$y_n\f$ with respect to
+ \f$x_n\f$ before taking the RMSD. To rotate the vectors \f$y_n\f$, we apply a
+ rotation matrix \f$U\f$ to get \f$y'_n = U \cdot y_n\f$. We can then express
+ \f$E\f$ as a function of the rotation \f$U\f$:
+
+ \f[
+ E = \sum_n{|x_n - U \cdot y_n|^2}
+ \f]
+
+ Thus, to find the RMSD, we must first find the rotation \f$U_{min}\f$ that
+ minimizes \f$E\f$ -- the <em>optimal superposition</em> of the two structures.
+
+ \section matching_vector_sets Matching Sets of Vectors
+
+ The classic papers of Wolfgang Kabsch showed how to minimize \f$E\f$ to get this
+ rotation. The algorithm described in those papers have since become part of the
+ staple diet of protein analysis. As the original proof for the Kabsch equations
+ (using 6 different Lagrange multipliers) is rather tedious, we'll describe a
+ much simpler proof using standard linear algebra.
+
+ First, we expand \f$E\f$ (which is now a function of \f$U\f$):
+
+ \f{eqnarray*}
+ E &=& \sum_n{ |x_n|^2 + |y_n|^2 } - 2 \sum_n{ x_n \cdot U y_n }\\
+ &=& E_0 - 2 \sum_n{x_n \cdot U y_n}
+ \f}
+
+ The first part, \f$E_0\f$, is invariant with respect to a rotation \f$U\f$. The
+ variation resides in the last term, \f$L = \sum_n{x_n \cdot U y_n}\f$. The goal,
+ therefore, is to find the matrix \f$U_{min}\f$ that gives the largest possible
+ value of \f$L\f$, from which we obtain:
+
+ \f[
+ RMSD = \sqrt{\frac{E_{min}}{N}} = \sqrt{\frac{E_0 - 2 \cdot L_{max}}{N}}
+ \f]
+
+ \section maximizing_l Maximizing L
+
+ The trick here is to realize that we can promote the set of vectors \f$x_n\f$
+ and \f$y_n\f$ into two \f$N \times 3\f$ matrices \f$X\f$ and \f$Y\f$. Then we can
+ write \f$L\f$ as a matrix trace:
+
+ \f[
+ L = Tr( X^T U Y )
+ \f]
+
+ where \f$X^T\f$ is a \f$3 \times N\f$ matrix and \f$Y\f$ is an \f$N \times 3\f$ matrix.
+ Juggling the matrices inside the trace, we get:
+
+ \f{eqnarray*}
+ L &=& Tr( X^T U Y )\\
+ &=& Tr( U Y X^T )\\
+ &=& Tr( U R )
+ \f}
+
+ Now, we still don't know what \f$U\f$ is, but we can study the matrix
+ \f$R = YX^T\f$, which is the \f$3 \times 3\f$ correlation matrix between
+ \f$X\f$ and \f$Y\f$. Furthermore, by invoking the powerful Singular Value
+ Decomposition theorem, we know that we can always write R as:
+
+ \f[
+ R = V S W
+ \f]
+
+ and obtain the \f$3 \times 3\f$ matrices \f$V\f$ and \f$W\f$
+ (which are orthogonal), and \f$S\f$ (which is positive diagonal, with
+ elements \f$\sigma_i\f$). We can then substitute these matrices into the
+ expression for \f$L\f$:
+
+ \f{eqnarray*}
+ L &=& Tr( U V S W^T )\\
+ &=& Tr( S W^T U V )\\
+ &=& Tr( S T )
+ \f}
+
+ Because \f$S\f$ is diagonal, we can get a simple expression for \f$L\f$
+ in terms of the \f$\sigma_i\f$:
+
+ \f[
+ L = Tr( S T ) =
+ \sigma_1 \cdot T_{11} + \sigma_2 \cdot T_{22} + \sigma_3 \cdot T_{33}
+ \f]
+
+ \section getting_the_rotation Determining the Rotation
+
+ Writing L in this form, we can figure out the maximum value of \f$L\f$. The
+ secret sauce is in \f$T\f$. If we look at the definition of \f$T\f$, we can
+ see that it is a <em>product of orthogonal matrices</em>, namely, the matrices
+ \f$U\f$, \f$W^T\f$ and \f$V\f$. Thus, \f$T\f$ must also be orthogonal.
+
+ Given this, the largest possible value for any element of \f$T\f$ is 1,
+ or \f$T_{ij} \le 1\f$. And since \f$L\f$ is a product of terms linear
+ in the diagonal elements of \f$T\f$, the maximum value of \f$L\f$ occurs
+ when the \f$T_{ii} = 1\f$:
+
+ \f[
+ L_{max} = Tr( S T_{max} ) = \sigma_1 + \sigma_2 + \sigma_3 = Tr( S )
+ \f]
+
+ Plugging this into the equation for RMSD, we get
+
+ \f[
+ RMSD = \sqrt{ \frac{E_0 - 2 (\sigma_1 + \sigma_2 + \sigma_3 )}{N} }
+ \f]
+
+ From this analysis, we can also determine the rotation that yields the
+ optimal superposition of the vectors. When \f$T_{ii} = 1\f$, then
+ \f$T = I\f$, the identity matrix. This immediately gives us an equation for
+ the optimal rotation \f$U_{min}\f$ in terms of the left and right orthogonal
+ vectors of the matrix R:
+
+ \f[
+ T_{max} = W^T U_{min} V = I
+ \f]
+ \f[
+ U_{min} = W V^T
+ \f]
+
+\section solving_for_r How to Solve for R
+
+ In the previous section we've shown that RMSD can be expressed in terms of the
+ singular values of \f$R\f$, but we still don't know how to find them! Never fear.
+ Kabsch, who first derived the solution, showed that to solve for \f$\sigma_i\f$,
+ we should solve the matrix \f$R^TR\f$, which is a nice symmetric real matrix,
+ and is consequently much easier to solve. Expanding on the singular value
+ decomposition from the previous section
+
+ \f[
+ R^TR = (W^T S^T V^T)(V S W) = W^T S^2 W
+ \f]
+
+ we can see that the singular value term of \f$R^TR\f$ is \f$S^2\f$. In other
+ words, the singular values of \f$R^TR\f$ (\f$\lambda_i\f$) are related to the
+ singular values of \f$R\f$ (\f$\sigma_i\f$) by the relationship
+ \f$\lambda_i = \sigma_i^2\f$. And also, the right singular vectors \f$W\f$
+ are the same for both \f$R\f$ and \f$R^TR\f$.
+
+ Furthermore, since \f$R^TR\f$ is a symmetric real matrix, its eigenvalues
+ are identical to its singular values \f$\lambda_i\f$. Thus, we can use
+ any standard method (e.g. the Jacobi transformation) to find the eigenvalues
+ of \f$R^TR\f$, and by substituting \f$\lambda_i = \sigma_i^2\f$ into the
+ RMSD formula:
+
+ \f[
+ RMSD = \sqrt {
+ \frac{ E_0 - 2 ( \sqrt{\lambda_1} + \sqrt{\lambda_2} + \sqrt{\lambda_3} )}{N}
+ }
+ \f]
+
+ \section chirality_sucks The Curse of Chirality
+
+ Unfortunately, there's one more ambiguity that we will have to consider before
+ we get to the Kabsch equation for RMSD. This ambiguity arises from a degeneracy
+ in the resulting \f$U_{min}\f$ from the SVD theorem. You see, \f$U_{min}\f$ is
+ guaranteed to be orthogonal, but for our RMSD calculation, we don't just want
+ orthogonal matrices, we want <em>rotation</em> matrices. And while orthogonal
+ matrices can have determinants of +1 or -1, "proper" rotation matrices have
+ determinants of +1 (unless they're also <em>reflected</em>, in which case they'll
+ have determinants of -1, and are termed "improper" rotations).
+
+ When does this happen? To answer this question, take a look at your hands.
+ Assuming that you're a primate, you have two of them, both alike, but reflected
+ across the plane of symmetry that runs down the center of your body. Now, try
+ to superimpose your hands. Go ahead. Try. If you're observant, you'll notice
+ that you simply <em>can't</em> superimpose your hands. Even if you cut them off
+ of your arms, the best you can hope to do is to align them so that their outlines
+ are coincident -- but the palm of one hand will still be touching the other. You
+ can never perfectly superimpose your hands, because your hands are <em>chiral</em>.
+
+ The same thing happens in molecular systems -- molecules are frequently chiral,
+ and when two molecules are related by chirality, it sometimes happens that their
+ optimal superposition involves a rotation, followed by a reflection. Thus, the
+ "improper" rotation. Unfortunately, a reflection in \f$U_{min}\f$ will result
+ in an incorrect RMSD value using the stated algorithm, so we need to detect this
+ situation before it becomes a problem.
+
+ To restrict the solutions of \f$U_{min} = WV^T\f$ to proper rotations, we
+ check the determinants of \f$W\f$ and \f$V\f$:
+
+ \f[
+ \omega = det( V ) \cdot det( W )
+ \f]
+
+ If \f$\omega = -1\f$ then there is a reflection in \f$U_{min}\f$, and we must
+ eliminate the reflection. The easiest way to do this is to reflect the smallest
+ principal axis in \f$U_{min}\f$, by reversing the sign of the third (smallest)
+ eignevalue, which yields the final Kabsch formula for RMSD in terms of
+ \f$\lambda_i\f$ and \f$\omega\f$:
+
+ \f[
+ RMSD = \sqrt {
+ \frac{ E_0 - 2 ( \sqrt{\lambda_1} + \sqrt{\lambda_2} + \omega \sqrt{\lambda_3} )}{N}
+ }
+ \f]
+
+ \section kabsch_implementations Implementation in the BTK
+
+ The BTK implements an optimized version of the Kabsch algorithm in its
+ leastsquares_superposition() methods. These methods solve a system of cubic
+ equations to determine the eigenvalues of \f$R^TR\f$, rather than using an
+ iterative approach (such as Jacobi). If only RMSD is desired (i.e. the
+ calculation of a rotation matrix is unecessary), the get_rmsd() method is
+ more efficient.
+
+ In addition to these methods, a get_trivial_rmsd() function is provided to
+ calculate the RMSD value between two structures without attempting to
+ superimpose their atoms.
+
+**/
+
+#endif
+
+
diff --git a/btk/core/algorithms/selections.hpp b/btk/core/algorithms/selections.hpp
new file mode 100644
index 0000000..bbb3bc2
--- /dev/null
+++ b/btk/core/algorithms/selections.hpp
@@ -0,0 +1,77 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Chris Saunders <ctsa at users.sourceforge.net>,
+// Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file selections.hpp
+/// \brief Methods and objects for selecting atoms.
+
+#ifndef BTK_ALGORITHMS_SELECTIONS_HPP
+#define BTK_ALGORITHMS_SELECTIONS_HPP
+
+namespace BTK {
+namespace ALGORITHMS {
+
+/// \name Selection methods.
+//@{
+
+/// \brief Select/deselect all objects in a range.
+///
+/// Changes the select flag for every object in the range [begin,end) to the
+/// specified value (the objects must expose the select(bool) method).
+///
+/// \param select_value The value to assign to the select flag of every
+/// atom in the starting range.
+template <typename Iterator>
+void
+select(Iterator begin,
+ Iterator end,
+ bool select_value = true)
+{
+ for (Iterator i = begin; i != end; ++i)
+ i->select(select_value);
+}
+
+/// \brief Select/deselect objects in a range that satisfy a predicate.
+///
+/// Changes the select flag for every object in the range [begin,end)
+/// that satisfies the given predicate (the objects must expose the
+/// select(bool) method).
+///
+/// \param test An object or function satisfying the UnaryPredicate concept.
+/// \param select_value The value to assign to the select flag of every object
+/// that satisfies the supplied predicate.
+template <typename Iterator, typename UnaryPredicate>
+void
+select_if(Iterator begin,
+ Iterator end,
+ UnaryPredicate test,
+ bool select_value = true)
+{
+ for(Iterator i = begin; i != end; ++i) {
+ if(test(*i)) i->select(select_value);
+ }
+}
+
+//@}
+
+} // namespace ALGORITHMS
+} // namespace BTK
+
+#endif
diff --git a/btk/core/algorithms/transforms.hpp b/btk/core/algorithms/transforms.hpp
new file mode 100644
index 0000000..bd90e9d
--- /dev/null
+++ b/btk/core/algorithms/transforms.hpp
@@ -0,0 +1,212 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005-2006, Tim Robertson <kid50 at users.sourceforge.net>,
+// Chris Saunders <ctsa at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file transforms.hpp
+/// \brief Rigid-body geometric transformations for atoms and molecules.
+
+#ifndef BTK_ALGORITHMS_TRANSFORMS_HPP
+#define BTK_ALGORITHMS_TRANSFORMS_HPP
+
+#include <btk/core/algorithms/properties.hpp>
+#include <btk/core/math/rotation.hpp>
+
+namespace BTK {
+namespace ALGORITHMS {
+
+/// \defgroup AtomTransforms Rigid-body molecular transformations.
+/// \brief Methods for 3D geometric transformations of atom-based structures.
+///
+/// These are iterator-based methods for translating, rotating,
+/// superimposing and otherwise transforming atomic structures as rigid
+/// bodies in 3-dimensions. They will work with any iterator that is a
+/// model of the AtomIterator concept.
+
+/// \brief Translate atoms along vector T.
+/// \ingroup AtomTransforms
+template <typename AtomIterator>
+void
+translate(AtomIterator begin,
+ AtomIterator end,
+ BTK::MATH::BTKVector const & T)
+{
+ for (;begin!=end;++begin) {
+ begin->set_position(begin->position()+T);
+ }
+}
+
+/// \brief Center a structure.
+/// \ingroup AtomTransforms
+///
+/// Translate the atoms in the range [first,last), such that
+/// their geometric center is at the system origin.
+template <typename AtomIterator>
+void
+center(AtomIterator begin,
+ AtomIterator end)
+{
+ BTK::MATH::BTKVector COM(geometric_center(begin,end));
+
+ translate(begin,end,-COM);
+}
+
+/// \brief Align the geometric centers of two molecules.
+/// \ingroup AtomTransforms
+///
+/// The atoms in the range [mobile_begin,mobile_end) are translated
+/// such that their geometric center is aligned with the geometric
+/// center of the atoms in the range [fixed_begin,fixed_end).
+template <typename AtomIterator1,typename AtomIterator2>
+void
+align_centers(AtomIterator1 fixed_begin,
+ AtomIterator1 fixed_end,
+ AtomIterator2 mobile_begin,
+ AtomIterator2 mobile_end)
+ {
+ BTK::MATH::BTKVector fixedCOM(geometric_center(fixed_begin,fixed_end));
+ BTK::MATH::BTKVector COM(geometric_center(mobile_begin,mobile_end));
+ translate(mobile_begin,mobile_end,fixedCOM-COM);
+ }
+
+
+/// \brief Rotate atoms about a fixed point.
+/// \ingroup AtomTransforms
+///
+/// This method will rotate the atoms in the range [first,last)
+/// using the specified Euler angles about the specified point.
+///
+/// For Euler angle conventions, see \ref EulerRotation "here".
+template <typename AtomIterator>
+void
+rotate(AtomIterator begin,
+ AtomIterator end,
+ double phi,
+ double theta,
+ double psi,
+ BTK::MATH::BTKVector const & fixed_point)
+{
+ using BTK::MATH::create_rotation_matrix;
+
+ BTK::MATH::BTKMatrix R(create_rotation_matrix(phi,theta,psi));
+ BTK::MATH::BTKVector T(prec_prod(R,-fixed_point)+fixed_point);
+
+ for(; begin != end; ++begin) {
+ begin->set_position(prec_prod(R,begin->position())+T);
+ }
+}
+
+/// \brief Rotate atoms about their geometric center.
+/// \ingroup AtomTransforms
+///
+/// This method will rotate the atoms in the range [first,last)
+/// using the specified Euler angles about their geometric center.
+///
+/// For Euler angle conventions, see \ref EulerRotation "here".
+template <typename AtomIterator>
+inline
+void
+rotate(AtomIterator begin,
+ AtomIterator end,
+ double phi,
+ double theta,
+ double psi)
+{
+ rotate(begin,end,phi,theta,psi,
+ geometric_center(begin,end));
+}
+
+/// \brief Rotate atoms around an axis or vector, with respect to a point.
+/// \ingroup AtomTransforms
+///
+/// \param fixed_point This point will be subtracted from the position of
+/// every atom in the structure prior to rotation, and added to the
+/// position of every atom in the structure following rotation.
+template <typename AtomIterator>
+void
+rotate(AtomIterator begin,
+ AtomIterator end,
+ BTK::MATH::BTKVector const & axis,
+ double theta,
+ BTK::MATH::BTKVector const & fixed_point)
+{
+ using BTK::MATH::create_rotation_matrix;
+ BTK::MATH::BTKMatrix R(create_rotation_matrix(axis,theta));
+ BTK::MATH::BTKVector T(prec_prod(R,-fixed_point)+fixed_point);
+
+ for(; begin != end; ++begin) {
+ begin->set_position(prec_prod(R,begin->position())+T);
+ }
+}
+
+/// \brief Rotate atoms around an axis or vector, with respect to their
+/// geometric center.
+/// \ingroup AtomTransforms
+///
+/// Rotate atoms in the range [first,last) about a specified axis. The
+/// geometric center of these atoms will be subtracted from the position of
+/// every atom in the structure prior to rotation, and added to the
+/// position of every atom in the structure following rotation.
+template <typename AtomIterator>
+inline
+void
+rotate(AtomIterator begin,
+ AtomIterator end,
+ BTK::MATH::BTKVector const & axis,
+ double theta)
+{
+ rotate(begin,end,axis,theta,
+ geometric_center(begin,end));
+}
+
+/// \brief Rotate atoms using a rotation matrix.
+/// \ingroup AtomTransforms
+///
+/// Applies rotation matrix rot to every atom in the range [begin,end).
+template <typename AtomIterator>
+void
+rotate(AtomIterator begin,
+ AtomIterator end,
+ BTK::MATH::BTKMatrix const & R)
+{
+ for (; begin != end; ++begin)
+ begin->set_position(prec_prod(R,begin->position()));
+}
+
+/// \brief Combined translate/rotate.
+/// \ingroup AtomTransforms
+///
+/// Changes every atom position \f$P\f$ in the range [begin,end) to \f$P'\f$
+/// such that \f$P' = R \cdot P + T\f$
+template <typename AtomIterator>
+void
+transform(AtomIterator begin,
+ AtomIterator end,
+ BTK::MATH::BTKMatrix const & R,
+ BTK::MATH::BTKVector const & T)
+{
+ for(;begin!=end;++begin) {
+ begin->set_position(prec_prod(R,begin->position())+T);
+ }
+}
+
+} // namespace ALGORITHMS
+} // namespace BTK
+
+#endif
diff --git a/btk/core/atoms/atom.hpp b/btk/core/atoms/atom.hpp
new file mode 100644
index 0000000..64df16a
--- /dev/null
+++ b/btk/core/atoms/atom.hpp
@@ -0,0 +1,279 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson (kid50 at users.sourceforge.net)
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file atom.hpp
+/// \brief definition of the Atom class.
+
+#ifndef BTK_ATOMS_ATOM_HPP
+#define BTK_ATOMS_ATOM_HPP
+
+#include <string>
+#include <ostream>
+#include <cstdio>
+
+#include <btk/core/math/btk_vector.hpp>
+#include <btk/core/io/default_type_system.hpp>
+#include <btk/core/utility/chemically_typed_object.hpp>
+
+namespace BTK {
+namespace ATOMS {
+
+/// A minimal Atom class.
+/// \todo Make this class abstract, so that decorated atoms cannot be
+/// used in mixed-type assignments.
+///
+/// This is a lightweight class that meets all of the requirements of the
+/// AtomConcept. It is intended to be a base class for further decoration
+/// and customization by the user of the library.
+///
+/// Element and atom types are enforced at compile time through the use
+/// of TypeSystem objects, which specify the atom and element ID types used
+/// by Atom, as well as the type dictionaries used to associate ID values to
+/// atom and element names. If not specified by the user, every Atom uses
+/// the DefaultTypeSystem object, which is a generic TypeSystem that provides
+/// dynamic name resolution for atom types.
+///
+template <typename TS = BTK::IO::DefaultTypeSystem>
+class Atom :
+ public BTK::UTILITY::ChemicallyTypedObject<TS,typename TS::atom_dictionary>
+{
+ typedef Atom<TS> self_type;
+ typedef BTK::UTILITY::
+ ChemicallyTypedObject<TS,typename TS::atom_dictionary> base_type;
+
+ public:
+ /// Type definitions required by the ChemicallyTypedConcept.
+ //@{
+ /// The type of the ChemicalTypeSystem for this class.
+ typedef TS chemical_type_system;
+ /// The type of the dictionary for this class.
+ typedef typename base_type::dictionary dictionary;
+ /// The ID type for this class (same as the atom ID type).
+ typedef typename base_type::id_type id_type;
+ //@}
+
+ /// The type of the atom dictionary.
+ typedef typename base_type::dictionary atom_dictionary;
+ /// The type of the atom ID for this class (same as the ID type).
+ typedef id_type atom_id_type;
+
+ /// The type of the element dictionary.
+ typedef typename chemical_type_system::element_dictionary element_dictionary;
+ /// The type of the element ID for this class.
+ typedef typename chemical_type_system::element_id_type element_id_type;
+
+ /// Default constructor.
+ Atom() : base_type(), _pos(),_number(0), _element_type(), _selected(false) {}
+
+ /// Construct from data.
+ /// \param pos The position of the atom.
+ /// \param type The type of the atom.
+ /// \param element_type The element type of the atom.
+ /// \param number The number/index of the atom.
+ /// \param ts An instance of the TypeSystem for this Atom class.
+ Atom(BTK::MATH::BTKVector const & pos,
+ atom_id_type type,
+ element_id_type etype,
+ int number = 0,
+ chemical_type_system const & ts = chemical_type_system()) :
+ base_type(ts,type),
+ _pos(pos), _number(number), _element_type(etype), _selected(false) {}
+
+ /// Copy constructor.
+ Atom(self_type const & src) :
+ base_type(src), _pos(src._pos), _number(src._number),
+ _element_type(src._element_type), _selected(src._selected) {}
+
+ virtual ~Atom() {};
+
+ using base_type::set_type;
+ using base_type::set_chemical_type_system;
+
+ virtual dictionary const & get_dictionary() const
+ {
+ return base_type::get_chemical_type_system().get_atom_dictionary();
+ }
+
+ virtual dictionary & get_dictionary()
+ {
+ return base_type::get_chemical_type_system().get_atom_dictionary();
+ }
+
+ /// Get the element type.
+ element_id_type element_type() const { return _element_type; }
+
+ /// Set the element type.
+ void set_element_type(element_id_type et) { _element_type = et; }
+
+ /// Get the element name.
+ std::string element_name() const
+ {
+ typename element_dictionary::const_iterator i =
+ base_type::get_chemical_type_system().
+ get_element_dictionary().find(_element_type);
+
+ if (i != base_type::
+ get_chemical_type_system().get_element_dictionary().end())
+ return i->second;
+ else
+ return "";
+ }
+
+ /// Get the atom number.
+ int number() const { return _number; }
+ /// Set the atom number.
+ void set_number(int number) { _number = number; }
+
+ /// Get the atom position.
+ BTK::MATH::BTKVector const & position() const {return _pos;}
+ /// Set the atom position.
+ void set_position(BTK::MATH::BTKVector const & position) {_pos = position;}
+
+ /// Is this atom selected?
+ bool selected() const { return _selected; }
+ /// Set the selection flag for this atom.
+ void select(bool s = true) const { _selected = s; }
+
+ /// Print an atom to a stream, in PDB format.
+ /// \deprecated
+ /// \todo Simplify the stream output system. PDB-formatted output
+ /// should be relegated to specialized PDB classes, so that
+ /// simple classes (like Atom) don't have to have complicated
+ /// methods (like Atom::print()) that are only complex due to
+ /// PDB output requirements.
+ virtual std::ostream & print(std::ostream & os,
+ int atom_number = 1,
+ int group_number = 1,
+ char chain_id = ' ',
+ std::string const & group_name = "",
+ bool is_hetatom = false,
+ char alt_loc = ' ',
+ char i_code = ' ',
+ double occupancy = 1.0,
+ double b_factor = 1.0,
+ std::string const & seg_id = "",
+ std::string const & element_name = "",
+ std::string const & charge = "") const
+ {
+ char buf[81];
+ const char * leading_int_atom_format =
+ "%-6.6s%5d %-4.4s%c%3.3s %c%4d%c %8.3f%8.3f%8.3f%6.2f%6.2f %4.4s%2.2s%2.2s";
+ const char * leading_char_atom_format =
+ "%-6.6s%5d %-3.3s%c%3.3s %c%4d%c %8.3f%8.3f%8.3f%6.2f%6.2f %4.4s%2.2s%2.2s";
+ const char * format = leading_char_atom_format;
+
+ const char * record_type;
+
+ if (is_hetatom) record_type = "HETATM";
+ else record_type = "ATOM";
+
+ std::string el_name(element_name);
+
+ if (el_name == "") {
+ el_name = Atom::element_name();
+ }
+
+ std::string atom_name = Atom::name();
+
+ if (atom_name.size() && isdigit(atom_name[0])) {
+ format = leading_int_atom_format;
+ }
+
+ snprintf(buf,81,format,
+ record_type,
+ atom_number,
+ atom_name.c_str(),
+ alt_loc,
+ group_name.c_str(),
+ chain_id,
+ group_number,
+ i_code,
+ position()[0],
+ position()[1],
+ position()[2],
+ occupancy,
+ b_factor,
+ seg_id.c_str(),
+ el_name.c_str(),
+ charge.c_str());
+
+ os << buf << std::endl;
+
+ return os;
+ }
+
+ /// Assignment operator.
+ /// \todo The Atom class should be made abstract, and the assignment
+ /// operator protected.
+ self_type const & operator=(self_type const & src)
+ {
+ if (this == &src) return *this;
+
+ base_type::operator=(src);
+ _pos = src._pos;
+ _number = src._number;
+ _element_type = src._element_type;
+ _selected = src._selected;
+ return *this;
+ }
+
+ /// Test atom equality.
+ /// Two atoms are equivalent iff their types and positions are equivalent.
+ bool operator==(self_type const & rhs) const
+ {
+ return (_element_type == rhs._element_type &&
+ _number == rhs._number &&
+ _pos == rhs._pos &&
+ base_type::operator==(rhs));
+ }
+
+ /// Test atom inequality.
+ bool operator!=(self_type const & rhs) const
+ {
+ return !(*this == rhs);
+ }
+
+private:
+ MATH::BTKVector _pos;
+ int _number;
+ element_id_type _element_type;
+
+ mutable bool _selected;
+};
+
+template <typename TS>
+std::ostream & operator<<(std::ostream & os, Atom<TS> const & a)
+{
+ return a.print(os);
+}
+
+#define IMPORT_ATOM_TYPES(AT) \
+ typedef typename AT::chemical_type_system chemical_type_system; \
+ typedef typename AT::dictionary dictionary; \
+ typedef typename AT::id_type id_type; \
+ typedef typename AT::atom_dictionary atom_dictionary; \
+ typedef typename AT::element_dictionary element_dictionary; \
+ typedef typename AT::atom_id_type atom_id_type; \
+ typedef typename AT::element_id_type element_id_type;
+
+} // namespace ATOMS
+} // namespace BTK
+
+#endif // BTK_ATOMS_ATOM_HPP
diff --git a/btk/core/atoms/default_atom_dictionary.hpp b/btk/core/atoms/default_atom_dictionary.hpp
new file mode 100644
index 0000000..4e1ff66
--- /dev/null
+++ b/btk/core/atoms/default_atom_dictionary.hpp
@@ -0,0 +1,37 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file default_atom_dictionary.hpp
+/// Declaration of the DefaultAtomDictionary object.
+
+#ifndef BTK_ATOMS_DEFAULT_ATOM_DICTIONARY_HPP
+#define BTK_ATOMS_DEFAULT_ATOM_DICTIONARY_HPP
+
+#include <btk/core/io/dictionary.hpp>
+
+namespace BTK {
+namespace ATOMS {
+
+typedef BTK::IO::Dictionary<int> DefaultAtomDictionary;
+
+} // namespace ATOMS
+} // namespace BTK
+
+#endif
diff --git a/btk/core/atoms/pdb_atom.hpp b/btk/core/atoms/pdb_atom.hpp
new file mode 100644
index 0000000..c9f2821
--- /dev/null
+++ b/btk/core/atoms/pdb_atom.hpp
@@ -0,0 +1,38 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson (kid50 at users.sourceforge.net)
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file pdb_atom.hpp
+/// Declaration of the PDBAtom type.
+
+#ifndef BTK_ATOMS_PDB_ATOM_HPP
+#define BTK_ATOMS_PDB_ATOM_HPP
+
+#include <btk/core/atoms/atom.hpp>
+#include <btk/core/atoms/pdb_atom_decorator.hpp>
+
+namespace BTK {
+namespace ATOMS {
+
+typedef PDBAtomDecorator<Atom<> > PDBAtom;
+
+} // namespace ATOMS
+} // namespace BTK
+
+#endif //BTK_PDB_ATOM_H
diff --git a/btk/core/atoms/pdb_atom_decorator.hpp b/btk/core/atoms/pdb_atom_decorator.hpp
new file mode 100644
index 0000000..a22290b
--- /dev/null
+++ b/btk/core/atoms/pdb_atom_decorator.hpp
@@ -0,0 +1,282 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson (kid50 at users.sourceforge.net)
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file pdb_atom_decorator.hpp
+/// Definition of the PDBAtomDecorator class.
+
+#ifndef BTK_ATOMS_PDB_ATOM_DECORATOR_HPP
+#define BTK_ATOMS_PDB_ATOM_DECORATOR_HPP
+
+#include <string>
+#include <ostream>
+
+#include <btk/core/atoms/atom.hpp>
+#include <btk/core/elements/element_types.hpp>
+#include <btk/core/io/default_type_system.hpp>
+
+namespace BTK {
+namespace ATOMS {
+
+/// A mixin-style atom decorator that provides support for PDB ATOM record data.
+///
+/// This is an atom decorator class that provides support for the storage and
+/// retrieval of data used in Brookhaven Protein Data Bank (PDB) ATOM records.
+///
+/// Because it is frequently necessary to use PDB I/O on a custom atom type
+/// (e.g. a previously-decorated Atom object), this object allows for the
+/// addition of PDB data to any atom type that conforms to the AtomConcept.
+///
+/// See pdb_atom.hpp for an example of atom decoration using this class.
+///
+template <typename BaseAtomType = BTK::ATOMS::Atom<> >
+class PDBAtomDecorator : public BaseAtomType
+{
+ typedef BaseAtomType base_type;
+ typedef PDBAtomDecorator<base_type> self_type;
+ public:
+ IMPORT_ATOM_TYPES(base_type);
+ typedef typename chemical_type_system::monomer_id_type monomer_id_type;
+
+ /// \group AtomConcept required constructors.
+ //@{
+
+ /// \brief Default constructor.
+ PDBAtomDecorator() :
+ base_type(), _res_num(1), _res_type(),
+ _chain_id(' '), _alt_loc(' '), _insert_code(' '),
+ _occupancy(1), _b_factor(0), _segment_id(), _charge(),
+ _is_hetatom(false) {}
+
+ /// \brief Construct from position, types and number.
+ PDBAtomDecorator(::BTK::MATH::BTKVector const & pos,
+ atom_id_type type,
+ element_id_type element_type,
+ int number = 0,
+ chemical_type_system const & cts = chemical_type_system()) :
+ base_type(pos,type,element_type,number,cts),
+ _res_num(1), _res_type(), _chain_id(' '), _alt_loc(' '),
+ _insert_code(' '), _occupancy(1), _b_factor(0), _segment_id(), _charge(),
+ _is_hetatom(false) {}
+
+ //@}
+
+ /// \brief Construct a PDBAtom from information in a PDB ATOM or HETATM record.
+ PDBAtomDecorator(chemical_type_system const & cts,
+ bool is_hetatom,
+ int atom_number,
+ atom_id_type atom_type,
+ char alt_loc,
+ monomer_id_type res_type,
+ char chain_id,
+ int res_number,
+ char insert_code,
+ ::BTK::MATH::BTKVector const & position,
+ double occupancy = 1.0,
+ double b_factor = 1.0,
+ std::string const & segment_id = "",
+ element_id_type element_type = element_id_type(), // fix me!
+ std::string charge = "") :
+ base_type(position,
+ atom_type,
+ element_type,
+ atom_number,
+ cts),
+ _res_num(res_number), _res_type(res_type),
+ _chain_id(chain_id), _alt_loc(alt_loc), _insert_code(insert_code),
+ _occupancy(occupancy), _b_factor(b_factor),
+ _segment_id(segment_id), _charge(charge),
+ _is_hetatom(is_hetatom)
+ {
+ }
+
+ /// \name Copy constructors.
+ /// These constructors allow the creation of a PDBAtomDecorator from
+ /// any atom type that happens to be decorated with a PDBAtomDecorator
+ /// (assuming that the base_atom types are compatible).
+ //@{
+
+ /// Default copy constructor.
+ /// Called iff the base atom types are identical.
+ PDBAtomDecorator(self_type const & src) :
+ base_type(src), _res_num(src._res_num), _res_type(src._res_type),
+ _chain_id(src._chain_id), _alt_loc(src._alt_loc),
+ _insert_code(src._insert_code), _occupancy(src._occupancy),
+ _b_factor(src._b_factor), _segment_id(src._segment_id),
+ _charge(src._charge), _is_hetatom(src._is_hetatom) {}
+
+ /// Foreign atom type copy constructor.
+ /// Called iff the base atom types are different.
+ template <typename AtomType>
+ PDBAtomDecorator(PDBAtomDecorator<AtomType> const & src) :
+ base_type(src),
+ _res_num(src.res_number()), _res_type(),
+ _chain_id(src.chain_id()), _alt_loc(src.alt_loc()),
+ _insert_code(src.insert_code()), _occupancy(src.occupancy()),
+ _b_factor(src.b_factor()), _segment_id(src.segment_id()),
+ _charge(src.charge()), _is_hetatom(src.is_hetatom())
+ {
+ // If we're using this constructor, the source atom doesn't have the same
+ // base atom type as this class. Thus, there's no guarantee that the
+ // monomer_id_type of the source class is the same as the monomer_id_type
+ // of this class. For this reason, look up the residue type using the
+ // source atom's residue name.
+ typename chemical_type_system::monomer_dictionary::const_iterator i =
+ base_type::get_chemical_type_system().get_monomer_dictionary().find(src.res_name());
+
+ if (i != base_type::get_chemical_type_system().get_monomer_dictionary().end())
+ _res_type = i->first;
+ else
+ _res_type = BTK::UTILITY::TypeIDTraits<monomer_id_type>::unknown();
+ }
+ //@}
+
+ /// \group PDBAtom-specific access methods.
+ //@{
+ int res_number() const { return _res_num; }
+ void set_res_number(int num) { _res_num = num; }
+
+ monomer_id_type res_type() const { return _res_type; }
+ void set_res_type(monomer_id_type type) { _res_type = type; }
+
+ std::string res_name() const
+ {
+ typename chemical_type_system::monomer_dictionary::const_iterator i =
+ base_type::get_chemical_type_system().get_monomer_dictionary().find(_res_type);
+
+ if (i != base_type::get_chemical_type_system().get_monomer_dictionary().end())
+ return i->second;
+ else
+ return "";
+ }
+
+ char chain_id() const { return _chain_id; }
+ void set_chain_id(char id) { _chain_id = id; }
+
+ char alt_loc() const { return _alt_loc; }
+ void set_alt_loc(char altloc) { _alt_loc = altloc; }
+
+ char insert_code() const { return _insert_code; }
+ void set_insert_code(char code) { _insert_code = code; }
+
+ double occupancy() const { return _occupancy; }
+ void set_occupancy(double occ) { _occupancy = occ; }
+
+ double b_factor() const { return _b_factor; }
+ void set_b_factor(double bfactor) { _b_factor = bfactor; }
+
+ std::string const & segment_id() const { return _segment_id; }
+ void set_segment_id(std::string const & s_id) { _segment_id = s_id; }
+
+ std::string const & charge() const { return _charge; }
+ void set_charge(std::string const & charge) { _charge = charge; }
+
+ bool is_hetatom() const { return _is_hetatom; }
+ void set_hetatom_flag(bool h) { _is_hetatom = h; }
+ //@}
+
+ virtual std::ostream & print(std::ostream & os,
+ int atom_number,
+ int group_number,
+ char chain_id,
+ std::string const & group_name) const
+ {
+ return base_type::print(os,
+ atom_number,
+ group_number,
+ chain_id,
+ group_name,
+ is_hetatom(),
+ alt_loc(),
+ insert_code(),
+ occupancy(),
+ b_factor(),
+ segment_id(),
+ base_type::element_name(),
+ charge());
+ }
+
+ virtual std::ostream & print(std::ostream & os) const
+ {
+ return print(os,
+ base_type::number(),
+ res_number(),
+ chain_id(),
+ res_name());
+ }
+
+ self_type const & operator=(self_type const & rhs)
+ {
+ base_type::operator=(rhs);
+
+ _res_num = rhs._res_num;
+ _res_type = rhs._res_type;
+ _chain_id = rhs._chain_id;
+ _alt_loc = rhs._alt_loc;
+ _insert_code = rhs._insert_code;
+ _occupancy = rhs._occupancy;
+ _b_factor = rhs._b_factor;
+ _segment_id = rhs._segment_id;
+ _charge = rhs._charge;
+ _is_hetatom = rhs._is_hetatom;
+
+ return *this;
+ }
+
+ bool operator==(self_type const & rhs) const
+ {
+ if (base_type::operator!=(rhs)) return false;
+
+ return (_res_num == rhs._res_num &&
+ _res_type == rhs._res_type &&
+ _chain_id == rhs._chain_id &&
+ _alt_loc == rhs._alt_loc &&
+ _insert_code == rhs._insert_code &&
+ _occupancy == rhs._occupancy &&
+ _b_factor == rhs._b_factor &&
+ _segment_id == rhs._segment_id &&
+ _charge == rhs._charge &&
+ _is_hetatom == rhs._is_hetatom);
+ }
+
+ bool operator!=(self_type const & rhs) const
+ {
+ return !(*this == rhs);
+ }
+
+ private:
+ int _res_num;
+ monomer_id_type _res_type;
+ char _chain_id, _alt_loc, _insert_code;
+ double _occupancy, _b_factor;
+ std::string _segment_id, _charge;
+ bool _is_hetatom;
+};
+
+template <typename AT>
+std::ostream & operator<<(std::ostream & os,
+ PDBAtomDecorator<AT> const & pdb_atom)
+{
+ return pdb_atom.print(os);
+}
+
+} // namespace ATOMS
+} // namespace BTK
+
+#endif // BTK_ATOMS_PDB_ATOM_DECORATOR_HPP
diff --git a/btk/core/common/assertions.cpp b/btk/core/common/assertions.cpp
new file mode 100644
index 0000000..87dbaf8
--- /dev/null
+++ b/btk/core/common/assertions.cpp
@@ -0,0 +1,70 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <iostream>
+#include <sstream>
+#include <cctype>
+
+#include <btk/core/common/assertions.hpp>
+
+using namespace std;
+
+string
+BTK::COMMON::ASSERTIONS::
+make_assert_message(string const & msg,
+ string const & file,
+ unsigned line)
+{
+ ostringstream assert_msg;
+ assert_msg << msg << " at line " << line
+ << "in " << file << endl;
+ return assert_msg.str();
+}
+
+BTK::COMMON::ASSERTIONS::assert_code
+BTK::COMMON::ASSERTIONS::
+default_assert_handler(string const & msg,
+ string const & file,
+ unsigned line)
+{
+ char response;
+ using BTK::IO::LOGGING::error_msg;
+
+ error_msg(make_assert_message(msg,file,line));
+
+ do {
+ error_msg("C)ontinue, E)xit or I)gnore forever?");
+ cin >> response;
+ response = toupper(response);
+ } while (response != 'C' && response != 'E' && response != 'I');
+
+ switch (response) {
+ case 'C': return CONTINUE; break;
+ case 'E': return EXIT; break;
+ case 'I': return IGNORE; break;
+ };
+
+ return EXIT; // not necessary, but it supresses compiler warnings.
+};
+
+BTK::COMMON::ASSERTIONS::assert_handler
+BTK::COMMON::ASSERTIONS::
+current_assert_handler = default_assert_handler;
+
diff --git a/btk/core/common/assertions.hpp b/btk/core/common/assertions.hpp
new file mode 100644
index 0000000..a4da3c4
--- /dev/null
+++ b/btk/core/common/assertions.hpp
@@ -0,0 +1,84 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file assertions.hpp
+/// Macros and functions for BTK library assertions.
+
+#ifndef BTK_COMMON_ASSERTIONS_HPP
+#define BTK_COMMON_ASSERTIONS_HPP
+
+#include <string>
+#include <cstdlib>
+
+#include <btk/core/config/btk_config.hpp>
+#include <btk/core/io/logging.hpp>
+
+namespace BTK {
+namespace COMMON {
+namespace ASSERTIONS {
+
+typedef enum {EXIT, CONTINUE, IGNORE} assert_code;
+
+std::string make_assert_message(std::string const & msg,
+ std::string const & file,
+ unsigned line);
+
+typedef assert_code (*assert_handler)(std::string const &,
+ std::string const &,
+ unsigned);
+
+assert_code default_assert_handler(std::string const & msg,
+ std::string const & file,
+ unsigned line);
+
+extern assert_handler current_assert_handler;
+
+} // namespace ASSERTIONS
+} // namespace COMMON
+} // namespace BTK
+
+#ifndef BTK_NDEBUG
+# define BTK_ASSERT(expr,str) \
+ if (!(expr)) { \
+ using namespace BTK::COMMON::ASSERTIONS; \
+ static assert_code status = EXIT; \
+ \
+ if (status != IGNORE) { \
+ status = \
+ current_assert_handler((str), \
+ __FILE__, \
+ __LINE__); \
+ if (status == EXIT) std::exit(-1); \
+ } \
+ };
+
+# define BTK_INVARIANT(expr) BTK_ASSERT(expr,"Invariant violated")
+#else
+# define BTK_ASSERT(expr,str)
+
+# define BTK_INVARIANT(expr) \
+ if (!(expr)) { \
+ BTK::COMMON::LOGGING::error_msg(make_assert_message("Invariant violated", \
+ __FILE__,__LINE__)); \
+ std::exit(-1); \
+ }
+#endif
+
+#endif //BTK_ASSERTIONS_H
diff --git a/btk/core/common/debugging.hpp b/btk/core/common/debugging.hpp
new file mode 100644
index 0000000..a06992c
--- /dev/null
+++ b/btk/core/common/debugging.hpp
@@ -0,0 +1,51 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file debugging.hpp
+/// Methods and macros useful for debugging BTK code.
+
+#ifndef BTK_COMMON_DEBUGGING_HPP
+#define BTK_COMMON_DEBUGGING_HPP
+
+#include <btk/core/config/btk_config.hpp>
+#include <btk/core/io/logger_stream.hpp>
+
+// These using declarations are necessary for older versions
+// of g++, which have namespace scoping difficulties when using the
+// stream insertion operator. They should probably be selectively
+// enabled only for broken compilers, but for now, I'm lazy.
+using BTK::IO::LOGGING::DEBUG;
+using BTK::IO::LOGGING::TRACE;
+
+#ifndef BTK_NDEBUG
+# define DBG_STREAM(L) BTK::IO::LOGGING::LoggerStream<char>((L))
+# define DBG_OUT DBG_STREAM(DEBUG)
+#else
+# define DBG_STREAM(L) if (0) BTK::IO::LOGGING::LoggerStream<char>((L))
+# define DBG_OUT DBG_STREAM(DEBUG)
+#endif
+
+#ifdef BTK_TRACE
+# define TRACE_OUT BTK::IO::LOGGING::LoggerStream<char>(TRACE) << ' '
+#else
+# define TRACE_OUT if (0) BTK::IO::LOGGING::LoggerStream<char>(TRACE)
+#endif
+
+#endif // BTK_COMMON_DEBUGGING_HPP
diff --git a/btk/core/common/exceptions.hpp b/btk/core/common/exceptions.hpp
new file mode 100644
index 0000000..06a765d
--- /dev/null
+++ b/btk/core/common/exceptions.hpp
@@ -0,0 +1,115 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file exceptions.hpp
+/// Declarations of exception classes used by the BTK.
+
+#ifndef BTK_COMMON_EXCEPTIONS_HPP
+#define BTK_COMMON_EXCEPTIONS_HPP
+
+#include <string>
+#include <sstream>
+#include <stdexcept>
+
+namespace BTK {
+namespace EXCEPTIONS {
+
+struct BTKException
+{
+ BTKException(std::string const & msg,
+ std::string const & file,
+ unsigned line,
+ std::string const & function)
+ {
+ std::ostringstream mstr;
+ mstr << msg << " thrown from "
+ << file << ", line " << line;
+
+ if (!function.empty())
+ mstr << ", fxn = " << function;
+
+ _msg = mstr.str();
+ }
+
+ virtual ~BTKException() {}
+
+ virtual char const * what() const throw()
+ { return _msg.c_str(); }
+
+private:
+ std::string _msg;
+};
+
+// This macro is for convenience in defining the basic BTK exception
+// classes, and is undefined outside of this file. To create exceptions
+// that derive from the basic BTK exception classes, see the
+// NEW_BTK_EXCEPTION_TYPE macro, below.
+#define BASE_BTK_EXCEPTION_TYPE(exception_name,base) \
+ struct exception_name : public base, public BTKException \
+ { \
+ exception_name(std::string const & msg = #exception_name, \
+ std::string const & file = "", \
+ unsigned line = 0, \
+ std::string const & func = "") : \
+ base(msg), BTKException(msg,file,line,func) {} \
+ \
+ virtual char const * what() const throw() \
+ { return BTKException::what(); } \
+ \
+ virtual ~exception_name() throw() {} \
+ };
+
+// Exceptions corresponding to the std::logic_error hierarchy
+BASE_BTK_EXCEPTION_TYPE(BTKLogicError,std::logic_error);
+BASE_BTK_EXCEPTION_TYPE(BTKDomainError,std::domain_error);
+BASE_BTK_EXCEPTION_TYPE(BTKInvalidArgument,std::invalid_argument);
+BASE_BTK_EXCEPTION_TYPE(BTKLengthError,std::length_error);
+BASE_BTK_EXCEPTION_TYPE(BTKOutOfRange,std::out_of_range);
+
+// Exceptions corresponding to the std::runtime_error hierarchy
+BASE_BTK_EXCEPTION_TYPE(BTKRuntimeError,std::runtime_error);
+BASE_BTK_EXCEPTION_TYPE(BTKRangeError,std::range_error);
+BASE_BTK_EXCEPTION_TYPE(BTKUnderflowError,std::underflow_error);
+BASE_BTK_EXCEPTION_TYPE(BTKOverflowError,std::overflow_error);
+
+#undef BASE_BTK_EXCEPTION_TYPE
+
+#define NEW_BTK_EXCEPTION_TYPE(exception_name,base_btk_exception) \
+ struct exception_name : public base_btk_exception \
+ { \
+ explicit exception_name(char const *msg = #exception_name, \
+ char const *file = "", \
+ unsigned line = 0, \
+ char const *func = "") : \
+ base_btk_exception(msg,file,line,func) {} \
+ \
+ virtual ~exception_name() throw() {} \
+ }
+
+#define BTK_THROW(btk_exception) \
+ throw BTK::EXCEPTIONS::btk_exception(#btk_exception,__FILE__,__LINE__)
+
+#define BTK_THROW_MSG(btk_exception,msg) \
+ throw BTK::EXCEPTIONS::btk_exception(msg,__FILE__,__LINE__)
+
+} // EXCEPTIONS
+} // BTK
+
+#endif
diff --git a/btk/core/concepts/atom_concept.hpp b/btk/core/concepts/atom_concept.hpp
new file mode 100644
index 0000000..e331459
--- /dev/null
+++ b/btk/core/concepts/atom_concept.hpp
@@ -0,0 +1,299 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file atom_concept.hpp
+//! Specification of the Atom Concept.
+
+#ifndef BTK_CONCEPTS_ATOM_CONCEPT_HPP
+#define BTK_CONCEPTS_ATOM_CONCEPT_HPP
+
+//! \page btk_core_concepts BTK Core Concepts
+//! Documented Concepts:
+//! \subpage atom_concept\n
+//! \subpage atom_iterable_concept\n
+//! \subpage atom_iterator_concept\n
+//! \subpage atomic_structure_concept\n
+//! \subpage mutable_atomic_structure_concept\n
+//! \subpage strictly_chemically_typed_concept\n
+//! \subpage chemically_typed_concept\n
+//!
+//! To be documented:\n
+//!
+//! btk_container_concept\n
+//! chain_concept\n
+//! chain_iterable_concept\n
+//! chain_iterator_concept\n
+//! monomer_concept\n
+//! monomer_iterable_concept\n
+//! monomer_iterator_concept\n
+//! polymer_structure_concept\n
+//! system_concept\n
+//! type_id_concept\n
+//! type_system_concept\n
+
+//! \page atom_concept The BTK Atom Concept
+//!
+//! \section description Description:
+//!
+//! An object that models the Atom Concept contains data and
+//! paramters that are essential for the representation of atoms in
+//! molecular modelling software.
+//!
+//! \section refines Concept Refines:
+//! \subsection stlconcepts STL Concepts:
+//! DefaultConstructible,
+//! CopyConstructible,
+//! EqualityConstructible,
+//! Assignable
+//! \subsection btkconcepts BTK Concepts:
+//! \ref chemically_typed_concept ChemicallyTypedConcept
+//!
+//! \section notation Notation:
+//!
+//! \c X -- A type that models the Atom Concept<br>
+//! \c x -- An object of type \c X<br>
+//!
+//! \section types Associated Types:
+//! <table>
+//! <tr>
+//! <td>Atom ID Type</td>
+//! <td>\code X::atom_id_type \endcode \endcode </td>
+//! <td>A type conforming to the TypeID Concept</td>
+//! </tr>
+//! <tr>
+//! <td>Element ID Type</td>
+//! <td>\code X::element_id_type \endcode \endcode </td>
+//! <td>A type conforming to the TypeID Concept</td>
+//! </tr>
+//! </table>
+//!
+//! \section definitions Definitions:
+//! None.
+//!
+//! \section expressions Valid Expressions:
+//!
+//! In addition to those expressions specified by the
+//! \ref refines "refined concepts", the following expressions
+//! must be valid:
+//!
+//! <table>
+//! <tr>
+//! <td><b>Expression</b></td>
+//! <td><b>Type Requirements</b></td>
+//! <td><b>Precondition</b></td>
+//! <td><b>Semantics</b></td>
+//! <td><b>Postcondition</b></td>
+//! <td><b>Complexity</b></td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code X(BTKVector const & v,
+//! atom_id_type a,
+//! element_id_type e,
+//! int n,
+//! type_sysetem t) \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Creates an object of type X.</td>
+//! <td></td>
+//! <td></td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code element_id_type x.element_type() \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Returns the element type of the atom.</td>
+//! <td></td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code x.set_element_type(element_id_type e) \endcode</td>
+//! <td>x is mutable</td>
+//! <td></td>
+//! <td>Sets the element type id.</td>
+//! <td>x.element_type() will return the value e</td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code BTKVector x.position() \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Returns the position of the atom.</td>
+//! <td></td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code x.set_position(BTKVector const & v) \endcode</td>
+//! <td>x is mutable</td>
+//! <td></td>
+//! <td>Sets the position of the atom.</td>
+//! <td>x.position() will return the value v</td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code int x.number() \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Returns the position of the atom.</td>
+//! <td></td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code x.set_number(int n) \endcode</td>
+//! <td>x is mutable</td>
+//! <td></td>
+//! <td>Sets the number of the atom.</td>
+//! <td>x.number() will return the value n</td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code x.select(b) \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Sets the selection flag to the value of b.</td>
+//! <td></td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code bool x.selected() \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Returns true iff the atom is selected.</td>
+//! <td></td>
+//! <td>O(1)</td>
+//! </tr>
+//! <tr>
+//!
+//! <tr>
+//! <td>\code std::ostream & x.print(std::ostream & os) \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Writes a text representation of x to an output stream.</td>
+//! <td></td>
+//! <td></td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code std::ostream & x.print(std::ostream & os,
+//! int atom_num,
+//! int group_num,
+//! char chain_id,
+//! std::string const & group_name) \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Writes a text representation of x to an output stream
+//! (\ref n1 "deprecated")</td>
+//! <td></td>
+//! <td></td>
+//! </tr>
+//!
+//! </table>
+//!
+//! \section invariants Invariants:
+//! None.
+//! \section models Models:
+//! - BTK::ATOMS::Atom
+//! - BTK::ATOMS::PDBAtom
+//!
+//! \section notes Notes:
+//! - \anchor n1 The second form of the print() method is deprecated. In future
+//! versions of the BTK, there will be no way to pass atom and group
+//! number information or chain ID information to the print methods of
+//! individual atoms.
+//!
+
+#ifndef DOXYGEN_SHOULD_SKIP_THIS
+
+#include <string>
+#include <iostream>
+
+#include <boost/concept_check.hpp>
+
+#include <btk/core/concepts/chemically_typed_concept.hpp>
+#include <btk/core/math/btk_vector.hpp>
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <class T>
+struct AtomConcept
+{
+ typedef typename T::atom_id_type at;
+ typedef typename T::element_id_type et;
+ typedef typename T::chemical_type_system cts_t;
+
+ void constraints() {
+ boost::function_requires<boost::DefaultConstructibleConcept<T> >();
+ boost::function_requires<boost::CopyConstructibleConcept<T> >();
+ boost::function_requires<boost::EqualityComparableConcept<T> >();
+ boost::function_requires<boost::AssignableConcept<T> >();
+ boost::function_requires<ChemicallyTypedConcept<T> >();
+
+ // construct from position, type ids, number and dictionary
+ T atom2(pos,atom_type,element_type,atom_num,cts);
+
+ atom.set_element_type(element_type);
+ atom.set_position(pos);
+ atom.set_number(atom_num);
+
+ const_constraints(atom);
+ }
+
+ void const_constraints(T const & atom) {
+ element_type = atom.element_type();
+ pos = atom.position();
+ atom_num = atom.number();
+
+ s = atom.selected();
+ atom.select(s);
+
+ std::cout << atom.print(std::cout);
+ std::cout << atom.print(std::cout,
+ atom_num,
+ group_num,
+ chain_id,
+ group_name);
+ }
+
+ T atom;
+ BTK::MATH::BTKVector pos;
+ at atom_type;
+ et element_type;
+ bool s;
+ int atom_num, group_num;
+ std::string atom_name, group_name;
+ char chain_id;
+ cts_t cts;
+};
+
+} // namespace CONCEPTS
+} // namespace BTK
+
+#endif // DOXYGEN_SHOULD_SKIP_THIS
+
+#endif // BTK_CONCEPTS_ATOM_CONCEPT_HPP
diff --git a/btk/core/concepts/atom_iterable_concept.hpp b/btk/core/concepts/atom_iterable_concept.hpp
new file mode 100644
index 0000000..582bba3
--- /dev/null
+++ b/btk/core/concepts/atom_iterable_concept.hpp
@@ -0,0 +1,258 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file atom_iterable_concept.hpp
+//! Specification of the AtomIterable Concept.
+
+#ifndef BTK_CONCEPTS_ATOM_ITERABLE_CONCEPT_HPP
+#define BTK_CONCEPTS_ATOM_ITERABLE_CONCEPT_HPP
+
+//! \page atom_iterable_concept The BTK AtomIterable Concept
+//!
+//! \section description Description:
+//!
+//! An object that models the AtomIterable Concept allows iteration
+//! over a range of Atom objects, and allows the user to query the size
+//! of that range.
+//!
+//! This concept specifies only that an object should be able to <i>iterate</i>
+//! over a range of atom objects, not necessarily that it should <i>contain</i>
+//! those objects. In particular, while all
+//! \ref atomic_structure_concept "AtomicStructure" objects
+//! are AtomIterable, not all AtomIterable objects are AtomicStructures.
+//!
+//! \section notation Notation:
+//!
+//! \c X -- A type that models the AtomIterable Concept<br>
+//! \c x -- An object of type \c x</br>
+//!
+//! \section types Associated Types:
+//! <table>
+//! <tr>
+//! <td>Size Type</td>
+//! <td>\code X::size_type \endcode </td>
+//! <td>An unsigned integral type</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>Atom Iterator Type</td>
+//! <td>\code X::atom_iterator \endcode \endcode </td>
+//! <td>A type conforming to the \ref atom_iterator_concept "AtomIterator"
+//! Concept</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>Const Atom Iterator Type</td>
+//! <td>\code X::const_atom_iterator \endcode \endcode </td>
+//! <td>A type conforming to the \ref atom_iterator_concept "AtomIterator"
+//! Concept, that may only be used to examine (not modify) atoms.</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>Reverse Atom Iterator Type</td>
+//! <td>\code X::reverse_atom_iterator \endcode \endcode </td>
+//! <td>An STL ReverseIterator whose base iterator type is an atom_iterator</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>Const Reverse Atom Iterator Type</td>
+//! <td>\code X::const_reverse_atom_iterator \endcode \endcode </td>
+//! <td>An STL ReverseIterator whose base iterator type is a
+//! const_atom_iterator</td>
+//! </tr>
+//!
+//! </table>
+//!
+//! \section definitions Definitions:
+//! None.
+//!
+//! \section expressions Valid Expressions:
+//! <table>
+//! <tr>
+//! <td><b>Expression</b></td>
+//! <td><b>Type Reqirements</b></td>
+//! <td><b>Precondition</b></td>
+//! <td><b>Semantics</b></td>
+//! <td><b>Postcondition</b></td>
+//! <td><b>Complexity</b></td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code size_type x.num_atoms() const \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Returns the size of the atom range.</td>
+//! <td></td>
+//! <td></td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code atom_iterator x.structure_begin() \endcode</td>
+//! <td>x is mutable</td>
+//! <td></td>
+//! <td>Returns an iterator pointing to the first atom in the range.</td>
+//! <td>x.atom_begin() is either dereferenceable, or past-the-end. It is
+//! past the end iff x.atom_size() == 0</td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code atom_iterator x.structure_end() \endcode </td>
+//! <td>x is mutable</td>
+//! <td></td>
+//! <td>Returns an iterator pointing one past the last atom in the range.</td>
+//! <td></td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code const_atom_iterator x.structure_begin() const \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Returns an iterator pointing to the first atom in the range.</td>
+//! <td>x.atom_begin() is either dereferenceable, or past-the-end. It is
+//! past the end iff x.atom_size() == 0</td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code const_atom_iterator x.structure_end() const \endcode </td>
+//! <td></td>
+//! <td></td>
+//! <td>Returns an iterator pointing one past the last atom in the range.</td>
+//! <td></td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code reverse_atom_iterator x.structure_rbegin() \endcode</td>
+//! <td>x is mutable</td>
+//! <td></td>
+//! <td>Equivalent to reverse_atom_iterator(x.structure_end())</td>
+//! <td>x.atom_rbegin() is either dereferenceable, or past-the-end. It is
+//! past the end iff x.atom_size() == 0</td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code reverse_atom_iterator x.structure_rend() \endcode</td>
+//! <td>x is mutable</td>
+//! <td></td>
+//! <td>Equivalent to reverse_atom_iterator(x.structure_begin())</td>
+//! <td></td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code const_reverse_atom_iterator x.structure_rbegin() const \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Equivalent to const_reverse_atom_iterator(x.structure_end())</td>
+//! <td>x.atom_rbegin() is either dereferenceable, or past-the-end. It is
+//! past the end iff x.atom_size() == 0</td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code const_reverse_atom_iterator x.structure_rend() const \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Equivalent to const_reverse_atom_iterator(x.structure_begin())</td>
+//! <td></td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! </table>
+//!
+//! \section invariants Invariants:
+//! - [x.atom_begin(),x.atom_end()) is a valid range.
+//! - [x.atom_rbegin(),x.atom_rend()) is a valid range.
+//! - The distance from x.atom_begin() to x.atom_end() is the same as the
+//! the distance from x.atom_rbegin() to x.atom_rend(), which is the same
+//! as x.atom_size().
+//!
+//! \section models Models:
+//! - BTK::MOLECULES::AtomicStructure
+//! - BTK::MOLECULES::Chain
+//! - BTK::MOLECULES::Molecule
+//! - BTK::MOLECULES::Polymer
+//! - Any BTK::MOLECULES::System of AtomIterable objects.
+//!
+//! \section notes Notes:
+//! - Just as for STL containers, there is no complexity requirement for
+//! x.num_atoms(). Use with care.
+//!
+
+#ifndef DOXYGEN_SHOULD_SKIP_THIS
+
+#include <boost/concept_check.hpp>
+
+#include <btk/core/concepts/atom_iterator_concept.hpp>
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <typename T>
+struct AtomIterableConcept
+{
+ typedef typename T::size_type st;
+ typedef typename T::const_atom_iterator const_atom_it;
+ typedef typename T::const_reverse_atom_iterator const_rev_atom_it;
+ typedef typename T::atom_iterator atom_it;
+ typedef typename T::reverse_atom_iterator rev_atom_it;
+
+ void constraints() {
+ boost::function_requires<AtomIterableConcept<T> >();
+ boost::function_requires<MutableAtomIteratorConcept<atom_it> >();
+ boost::function_requires<MutableAtomIteratorConcept<rev_atom_it> >();
+
+ ai = obj.structure_begin();
+ ai = obj.structure_end();
+ rai = obj.structure_rbegin();
+ rai = obj.structure_rend();
+
+ const_constraints(obj);
+ };
+
+ void const_constraints(T const & ac) {
+ boost::function_requires<AtomIteratorConcept<const_atom_it> >();
+ boost::function_requires<AtomIteratorConcept<const_rev_atom_it> >();
+
+ size = ac.num_atoms();
+
+ cai = ac.structure_begin();
+ cai = ac.structure_end();
+ crai = ac.structure_rbegin();
+ crai = ac.structure_rend();
+ }
+
+ T obj;
+ st size;
+ const_atom_it cai;
+ const_rev_atom_it crai;
+ atom_it ai;
+ rev_atom_it rai;
+};
+
+} // namespace CONCEPTS
+} // namespace BTK
+#endif // DOXYGEN_SHOULD_SKIP_THIS
+
+#endif // BTK_CONCEPTS_ATOM_ITERABLE_CONCEPT_HPP
diff --git a/btk/core/concepts/atom_iterator_concept.hpp b/btk/core/concepts/atom_iterator_concept.hpp
new file mode 100644
index 0000000..a98f62e
--- /dev/null
+++ b/btk/core/concepts/atom_iterator_concept.hpp
@@ -0,0 +1,94 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson (kid50 at users.sourceforge.net)
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file atom_iterator_concept.hpp
+//! Specification of the AtomIterator Concept.
+
+#ifndef BTK_CONCEPTS_ATOM_ITERATOR_CONCEPT_HPP
+#define BTK_CONCEPTS_ATOM_ITERATOR_CONCEPT_HPP
+
+//! \page atom_iterator_concept The BTK AtomIterator Concept
+//!
+//! \section description Description:
+//!
+//! An AtomIterator is an STL BidirectionalIterator \ref n1 "(1)" whose
+//! value_type \ref n2 "(2)" is a model of the \ref atom_concept "Atom Concept".
+//!
+//! \section refines Concept Refines:
+//! \subsection stlconcepts STL Concepts:
+//! BidirectionalIterator
+//!
+//! \section types Associated Types:
+//! The same as for an STL BidirectionalIterator.
+//!
+//! \section expressions Valid Expressions:
+//! The same as for an STL BidirectionalIterator.
+//!
+//! \section models Models:
+//! - BTK::MOLECULES::AtomicStructure::atom_iterator
+//! - BTK::MOLECULES::Chain::atom_iterator
+//! - BTK::MOLECULES::Molecule::atom_iterator
+//! - BTK::MOLECULES::Polymer::atom_iterator
+//! - BTK::MOLECULES::System::atom_iterator (if defined)
+//!
+//! \section notes Notes:
+//! - \anchor n1 The AtomIterator is defined as a BidirectionalIterator (as
+//! opposed to a RandomAccessIterator) because the BTK supports the use of
+//! containers that are not STL RandomAccessContainers for atom storage
+//! (e.g. std::list).
+//! - \anchor n2 All AtomIterator objects are expected to work with the
+//! std::iterator_traits<> template.
+
+#ifndef DOXYGEN_SHOULD_SKIP_THIS
+
+#include <iterator>
+#include <boost/concept_check.hpp>
+
+#include <btk/core/concepts/atom_concept.hpp>
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <class T>
+struct AtomIteratorConcept
+{
+ typedef typename std::iterator_traits<T>::value_type value_type;
+
+ void constraints() {
+ boost::function_requires<boost::BidirectionalIteratorConcept<T> >();
+ boost::function_requires<AtomConcept<value_type> >();
+ }
+};
+
+template <class T>
+struct MutableAtomIteratorConcept
+{
+ void constraints() {
+ boost::function_requires<AtomIteratorConcept<T> >();
+ boost::function_requires<boost::Mutable_BidirectionalIteratorConcept<T> >();
+ }
+};
+
+} // namespace CONCEPTS
+} // namespace BTK
+
+#endif //DOXYGEN_SHOULD_SKIP_THIS
+
+#endif // BTK_CONCEPTS_ATOM_ITERATOR_CONCEPT_HPP
diff --git a/btk/core/concepts/atomic_structure_concept.hpp b/btk/core/concepts/atomic_structure_concept.hpp
new file mode 100644
index 0000000..a08d090
--- /dev/null
+++ b/btk/core/concepts/atomic_structure_concept.hpp
@@ -0,0 +1,232 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file atomic_structure_concept.hpp
+//! Specification of the AtomicStructure Concept.
+
+#ifndef BTK_CONCEPTS_ATOMIC_STRUCTURE_CONCEPT_HPP
+#define BTK_CONCEPTS_ATOMIC_STRUCTURE_CONCEPT_HPP
+
+//! \page atomic_structure_concept The BTK AtomicStructure Concept
+//!
+//! \section description Description:
+//!
+//! An object that models an immutable atomic structure (i.e. a structure that
+//! does not support the insertion or deletion of atoms).
+//!
+//! \section refines Concept Refines:
+//! \subsection stlconcepts STL Concepts:
+//! - ReversibleContainer
+//! \subsection btkconcepts BTK Concepts:
+//! - \ref atom_iterable_concept "AtomIterable"
+//! - \ref strictly_chemically_typed_concept "StrictlyChemicallyTyped"
+//!
+//! \section notation Notation:
+//!
+//! \c X -- A type that models the AtomicStructure Concept<br>
+//! \c x -- An object of type \c X<br>
+//!
+//! \section types Associated Types:
+//! In addition to the types required by the \ref refines "refined concepts":
+//! <table>
+//! <tr>
+//! <td>Atom Type</td>
+//! <td>\code X::atom_type \endcode </td>
+//! <td>A type that models the \ref atom_concept "Atom Concept"</td>
+//! </tr>
+//! </table>
+//!
+//! \section definitions Definitions:
+//! None.
+//!
+//! \section expressions Valid Expressions:
+//!
+//! In addition to those expressions specified by the
+//! \ref refines "refined concepts", the following expressions
+//! must be valid:
+//!
+//! <table>
+//! <tr>
+//! <td><b>Expression</b></td>
+//! <td><b>Type Requirements</b></td>
+//! <td><b>Precondition</b></td>
+//! <td><b>Semantics</b></td>
+//! <td><b>Postcondition</b></td>
+//! <td><b>Complexity</b></td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code X::const_reference x.operator[](X::size_type n) const \endcode</td>
+//! <td></td>
+//! <td>n is in the range [0,x.size())</td>
+//! <td>Gets a constant reference to the n'th atom in the structure.</td>
+//! <td></td>
+//! <td></td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code std::ostream & x.print(std::ostream & s) const \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Writes the contents of x to stream s.</td>
+//! <td></td>
+//! <td></td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code std::ostream & x.print(std::ostream & s, size_type n) const \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Writes the contents of x to stream, using n as the first atom number.</td>
+//! <td></td>
+//! <td></td>
+//! </tr>
+//! </table>
+//!
+//! \section models Models:
+//! - BTK::MOLECULES::AtomicStructure
+//! - BTK::MOLECULES::Chain
+//! - BTK::MOLECULES::Molecule
+//! - BTK::MOLECULES::Monomer
+
+#ifndef DOXYGEN_SHOULD_SKIP_THIS
+
+#include <iostream>
+#include <boost/concept_check.hpp>
+
+#include <btk/core/concepts/atom_concept.hpp>
+#include <btk/core/concepts/atom_iterable_concept.hpp>
+#include <btk/core/concepts/chemically_typed_concept.hpp>
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <class T>
+struct AtomicStructureConcept
+{
+ typedef typename T::atom_type at;
+ typedef typename T::size_type st;
+
+ void constraints() {
+ boost::function_requires<boost::Mutable_ReversibleContainerConcept<T> >();
+ boost::function_requires<StrictlyChemicallyTypedConcept<T> >();
+ boost::function_requires<AtomIterableConcept<T> >();
+ boost::function_requires<AtomConcept<at> >();
+
+ const_constraints(obj);
+ }
+
+ void const_constraints(T const & c_obj) {
+
+ at const & atom_ref = c_obj[atom_num];
+ boost::ignore_unused_variable_warning(atom_ref);
+
+ std::cout << c_obj.print(std::cout);
+ std::cout << c_obj.print(std::cout,atom_num);
+ }
+
+ T obj;
+ st atom_num;
+};
+
+#endif // DOXYGEN_SHOULD_SKIP_THIS
+
+//! \page mutable_atomic_structure_concept The BTK MutableAtomicStructure Concept
+//!
+//! \section description Description:
+//!
+//! An object that models a mutable atomic structure (i.e. a structure that
+//! supports the insertion or deletion of atoms or changes in type).
+//!
+//! \section refines Concept Refines:
+//! \subsection stlconcepts STL Concepts:
+//! - Sequence
+//! \subsection btkconcepts BTK Concepts:
+//! - \ref atomic_structure_concept "AtomicStructure"
+//! - \ref chemically_typed_concept "ChemicallyTyped"
+//!
+//! \section notation Notation:
+//!
+//! \c X -- A type that models the MutableAtomicStructure Concept<br>
+//! \c x -- An object of type \c X<br>
+//!
+//! \section types Associated Types:
+//! None beyond those of the \ref refines "refined concepts."
+//!
+//! \section definitions Definitions:
+//! None.
+//!
+//! \section expressions Valid Expressions:
+//!
+//! In addition to those expressions specified by the
+//! \ref refines "refined concepts", the following expressions
+//! must be valid:
+//!
+//! <table>
+//! <tr>
+//! <td><b>Expression</b></td>
+//! <td><b>Type Requirements</b></td>
+//! <td><b>Precondition</b></td>
+//! <td><b>Semantics</b></td>
+//! <td><b>Postcondition</b></td>
+//! <td><b>Complexity</b></td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code X::reference x.operator[](X::size_type n) \endcode</td>
+//! <td></td>
+//! <td>n is in the range [0,x.size())</td>
+//! <td>Gets a non-const reference to the n'th atom in the structure.</td>
+//! <td></td>
+//! <td></td>
+//! </tr>
+//! </table>
+//!
+//! \section models Models:
+//! - BTK::MOLECULES::AtomicStructure
+//! - BTK::MOLECULES::Molecule
+
+#ifndef DOXYGEN_SHOULD_SKIP_THIS
+
+template <typename T>
+struct MutableAtomicStructureConcept
+{
+ typedef typename T::atom_type at;
+ typedef typename T::size_type st;
+
+ void constraints() {
+ boost::function_requires<boost::SequenceConcept<T> >();
+ boost::function_requires<ChemicallyTypedConcept<T> >();
+ boost::function_requires<AtomicStructureConcept<T> >();
+
+ at & atom_ref = obj[atom_num];
+ boost::ignore_unused_variable_warning(atom_ref);
+ }
+
+ T obj;
+ st atom_num;
+};
+
+} // namespace CONCEPTS
+} // namespace BTK
+
+#endif //DOXYGEN_SHOULD_SKIP_THIS
+
+#endif
diff --git a/btk/core/concepts/btk_container_concept.hpp b/btk/core/concepts/btk_container_concept.hpp
new file mode 100644
index 0000000..84e8f23
--- /dev/null
+++ b/btk/core/concepts/btk_container_concept.hpp
@@ -0,0 +1,49 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_CONCEPTS_CONTAINER_CONCEPT_HPP
+#define BTK_CONCEPTS_CONTAINER_CONCEPT_HPP
+
+#include <boost/concept_check.hpp>
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <class T>
+struct BTKContainerConcept
+{
+ void constraints() {
+ boost::function_requires<boost::ReversibleContainerConcept<T> >();
+ }
+};
+
+template <class T>
+struct MutableBTKContainerConcept
+{
+ void constraints() {
+ boost::function_requires<BTKContainerConcept<T> >();
+ boost::function_requires<boost::Mutable_ReversibleContainerConcept<T> >();
+ }
+};
+
+} // namespace CONCEPTS
+} // namespace BTK
+
+#endif
diff --git a/btk/core/concepts/chain_concept.hpp b/btk/core/concepts/chain_concept.hpp
new file mode 100644
index 0000000..3b9dc35
--- /dev/null
+++ b/btk/core/concepts/chain_concept.hpp
@@ -0,0 +1,49 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_CONCEPTS_CHAIN_CONCEPT_HPP
+#define BTK_CONCEPTS_CHAIN_CONCEPT_HPP
+
+#include <boost/concept_check.hpp>
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <typename T>
+struct ChainConcept
+{
+ void constraints() {
+ chain.set_chain_id(chain_id);
+
+ const_constraints(chain);
+ }
+
+ void const_constraints(T const & c) {
+ chain_id = c.chain_id();
+ }
+
+ T chain;
+ char chain_id;
+};
+
+} // namespace CONCEPTS
+} // namespace BTK
+
+#endif
diff --git a/btk/core/concepts/chain_iterable_concept.hpp b/btk/core/concepts/chain_iterable_concept.hpp
new file mode 100644
index 0000000..832a2db
--- /dev/null
+++ b/btk/core/concepts/chain_iterable_concept.hpp
@@ -0,0 +1,90 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson (kid50 at users.sourceforge.net)
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_CONCEPTS_CHAIN_ITERABLE_CONCEPT_HPP
+#define BTK_CONCEPTS_CHAIN_ITERABLE_CONCEPT_HPP
+
+#include <boost/concept_check.hpp>
+
+#include <btk/core/concepts/chain_iterator_concept.hpp>
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <typename T>
+struct ChainIterableConcept
+{
+ typedef typename T::size_type st;
+ typedef typename T::const_chain_iterator const_chain_it;
+ typedef typename T::const_reverse_chain_iterator const_rev_chain_it;
+
+ void constraints()
+ {
+ boost::function_requires<ChainIteratorConcept<const_chain_it> >();
+ boost::function_requires<ChainIteratorConcept<const_rev_chain_it> >();
+
+ const_constraints(obj);
+ }
+
+ void const_constraints(T const & c_obj)
+ {
+ size = c_obj.num_chains();
+
+ cci = c_obj.system_begin();
+ cci = c_obj.system_end();
+
+ crci = c_obj.system_rbegin();
+ crci = c_obj.system_rend();
+ }
+
+ T obj;
+ st size;
+ const_chain_it cci;
+ const_rev_chain_it crci;
+};
+
+template <typename T>
+struct MutableChainIterableConcept
+{
+ typedef typename T::chain_iterator chain_it;
+ typedef typename T::reverse_chain_iterator rev_chain_it;
+
+ void constraints()
+ {
+ boost::function_requires<ChainIterableConcept<T> >();
+ boost::function_requires<MutableChainIteratorConcept<chain_it> >();
+ boost::function_requires<MutableChainIteratorConcept<rev_chain_it> >();
+
+ ci = obj.system_begin();
+ ci = obj.system_end();
+
+ rci = obj.system_rbegin();
+ rci = obj.system_rend();
+ }
+
+ T obj;
+ chain_it ci;
+ rev_chain_it rci;
+};
+
+} // CONCEPTS
+} // BTK
+
+#endif
diff --git a/btk/core/concepts/chain_iterator_concept.hpp b/btk/core/concepts/chain_iterator_concept.hpp
new file mode 100644
index 0000000..c98939b
--- /dev/null
+++ b/btk/core/concepts/chain_iterator_concept.hpp
@@ -0,0 +1,55 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson (kid50 at users.sourceforge.net)
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_CONCEPTS_CHAIN_ITERATOR_CONCEPT_HPP
+#define BTK_CONCEPTS_CHAIN_ITERATOR_CONCEPT_HPP
+
+#include <iterator>
+#include <boost/concept_check.hpp>
+
+#include <btk/core/concepts/chain_concept.hpp>
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <typename T>
+struct ChainIteratorConcept
+{
+ typedef typename std::iterator_traits<T>::value_type value_type;
+
+ void constraints() {
+ boost::function_requires<boost::BidirectionalIteratorConcept<T> >();
+ boost::function_requires<ChainConcept<value_type> >();
+ }
+};
+
+template <typename T>
+struct MutableChainIteratorConcept
+{
+ void constraints() {
+ boost::function_requires<ChainIteratorConcept<T> >();
+ boost::function_requires<boost::Mutable_BidirectionalIteratorConcept<T> >();
+ }
+};
+
+} // CONCEPTS
+} // BTK
+
+#endif
diff --git a/btk/core/concepts/chemically_typed_concept.hpp b/btk/core/concepts/chemically_typed_concept.hpp
new file mode 100644
index 0000000..8fc3bcf
--- /dev/null
+++ b/btk/core/concepts/chemically_typed_concept.hpp
@@ -0,0 +1,324 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file chemically_typed_concept.hpp
+//! Specification of the ChemicallyTyped and StrictlyChemicallyTyped concepts.
+
+#ifndef BTK_CONCEPTS_CHEMICALLY_TYPED_CONCEPT_HPP
+#define BTK_CONCEPTS_CHEMICALLY_TYPED_CONCEPT_HPP
+
+//! \page strictly_chemically_typed_concept The BTK StrictlyChemicallyTyped Concept
+//!
+//! \section description Description:
+//!
+//! A type that models StrictlyChemicallyTyped has an associated "chemical
+//! type" identifier (e.g. an atom or residue type), that is part of a
+//! self-consistent "chemical type system" (e.g. a set of atom and residue
+//! types that are specific to a particular type of molecule). The concept
+//! is "strict," because it does not allow the modification of either of these
+//! associated objects. This is essential when dealing with complex molecule
+//! types for which a change in chemical type following construction is difficult
+//! or undesirable.
+//!
+//! \section refines Concept Refines:
+//! \subsection stlconcepts STL Concepts:
+//! None.
+//! \subsection btkconcepts BTK Concepts:
+//! None.
+//!
+//! \section notation Notation:
+//!
+//! \c X -- A type that models the StrictlyChemicallyTyped Concept<br>
+//! \c x -- An object of type \c X<br>
+//!
+//! \section types Associated Types:
+//! <table>
+//! <tr>
+//! <td>Chemical Type System Type</td>
+//! <td>\code X::chemical_type_system \endcode </td>
+//! <td>A type modelling the \ref type_system_concept "TypeSystem Concept"</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>Dictionary Type</td>
+//! <td>\code X::dictionary \endcode </td>
+//! <td>A type modelling the \ref dictionary_concept "Dictionary Concept"</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>Chemical ID Type</td>
+//! <td>\code X::id_type \endcode </td>
+//! <td>A type modelling the \ref type_id_concept "TypeID Concept"</td>
+//! </tr>
+//! </table>
+//!
+//! \section definitions Definitions:
+//! None.
+//!
+//! \section expressions Valid Expressions:
+//!
+//! In addition to those expressions specified by the
+//! \ref refines "refined concepts", the following expressions
+//! must be valid:
+//!
+//! <table>
+//! <tr>
+//! <td><b>Expression</b></td>
+//! <td><b>Type Requirements</b></td>
+//! <td><b>Precondition</b></td>
+//! <td><b>Semantics</b></td>
+//! <td><b>Postcondition</b></td>
+//! <td><b>Complexity</b></td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code X::id_type x.type() const \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Returns the chemical type ID of x.</td>
+//! <td></td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code std::string x.name() const \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>If x.type() returns a defined chemical type, x.name() returns a
+//! non-empty string. Otherwise, x.name() returns an empty string.</td>
+//! <td></td>
+//! <td></td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code X::chemical_type_system const &
+//! x.get_chemical_type_system() const \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Returns a const reference to the chemical type system associated with x.</td>
+//! <td></td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td>\code X::dictionary const & x.get_dictionary() const \endcode</td>
+//! <td></td>
+//! <td></td>
+//! <td>Returns a const reference to the dictionary_type associated with x.</td>
+//! <td></td>
+//! <td>O(1)</td>
+//! </tr>
+//! </table>
+//!
+//! \section models Models:
+//! - BTK::ATOMS::Atom
+//! - BTK::MOLECULES::AtomicStructure
+//! - BTK::MOLECULES::Chain
+//! - BTK::MOLECULES::Molecule
+//! - BTK::MOLECULES::Monomer
+//! - BTK::MOLECULES::PolymerStructure
+//! - BTK::MOLECULES::Polymer
+//!
+//! \section invariants Invariants:
+//! - X::dictionary is one of dictionary types defined in X::chemical_type_system.
+//! - x.name() == (x.get_dictionary().find(x.type())).second
+//! - x.type() == (x.get_dictionary().find(x.name())).first
+//!
+//! \section notes Notes:
+//! - For situations where a modifiable chemical type is desired, see the
+//! \ref chemically_typed_concept "ChemicallyTyped Concept".
+
+#ifndef DOXYGEN_SHOULD_SKIP_THIS
+
+#include <string>
+#include <boost/concept_check.hpp>
+#include <btk/core/concepts/type_system_concept.hpp>
+#include <btk/core/concepts/type_id_concept.hpp>
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <typename T>
+struct StrictlyChemicallyTypedConcept
+{
+ typedef typename T::chemical_type_system ts_t;
+ typedef typename T::dictionary dict_t;
+ typedef typename T::id_type id_t;
+
+ void constraints() {
+ boost::function_requires<TypeSystemConcept<ts_t> >();
+ boost::function_requires<TypeIDConcept<id_t> >();
+
+ const_constraints(obj);
+ }
+
+ void const_constraints(T const & t) {
+ id = obj.type();
+ name = obj.name();
+ ts_t const & ctsr = obj.get_chemical_type_system();
+ dict_t const & dr = obj.get_dictionary();
+
+ boost::ignore_unused_variable_warning(ctsr);
+ boost::ignore_unused_variable_warning(dr);
+ }
+
+ T obj;
+ id_t id;
+ std::string name;
+};
+
+} // namespace CONCEPTS
+} // namespace BTK
+
+#endif // DOXYGEN_SHOULD_SKIP_THIS
+
+//! \page chemically_typed_concept The BTK ChemicallyTyped Concept
+//!
+//! \section description Description:
+//!
+//! A type that models ChemicallyTyped has an associated "chemical
+//! type" identifier (e.g. an atom or residue type), that is part of a
+//! self-consistent "chemical type system" (e.g. a set of atom and residue
+//! types that are specific to a particular type of molecule).
+//!
+//! ChemicallyTyped is a refinement of StrictlyChemicallyTyped, in that it
+//! requires everything that the latter concept defines, with the addition of
+//! methods to set the chemical type and type system associated with an object.
+//!
+//! \section refines Concept Refines:
+//! \subsection stlconcepts STL Concepts:
+//! None.
+//! \subsection btkconcepts BTK Concepts:
+//! \ref strictly_chemically_typed_concept "StrictlyChemicallyTyped"
+//!
+//! \section notation Notation:
+//!
+//! \c X -- A type that models the ChemicallyTyped Concept<br>
+//! \c x -- An object of type \c X<br>
+//!
+//! \section types Associated Types:
+//! None beyond those of
+//! \ref strictly_chemically_typed_concept "StrictlyChemicallyTyped".
+//!
+//! \section definitions Definitions:
+//! None.
+//!
+//! \section expressions Valid Expressions:
+//!
+//! In addition to those expressions specified by
+//! \ref strictly_chemically_typed_concept "StrictlyChemicallyTyped", the
+//! following expressions must be valid:
+//!
+//! <table>
+//! <tr>
+//! <td><b>Expression</b></td>
+//! <td><b>Type Requirements</b></td>
+//! <td><b>Precondition</b></td>
+//! <td><b>Semantics</b></td>
+//! <td><b>Postcondition</b></td>
+//! <td><b>Complexity</b></td>
+//! </tr>
+//!
+//! <tr>
+//! <td> \code void x.set_type(X::type_id t) \endcode </td>
+//! <td>x is mutable</td>
+//! <td></td>
+//! <td>The type_id of x will be set to the value t.</td>
+//! <td>x.type() will return the value t</td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td> \code X::chemical_type_system &
+//! x.get_chemical_type_system() \endcode</td>
+//! <td>x is mutable</td>
+//! <td></td>
+//! <td>A reference to the chemical_type_system associated with x is returned.</td>
+//! <td></td>
+//! <td>O(1)</td>
+//! </tr>
+//!
+//! <tr>
+//! <td> \code void x.set_chemical_type_system(X::chemical_type_system const & ts) \endcode</td>
+//! <td>x is mutable</td>
+//! <td></td>
+//! <td>The type_system associated with x will be set to a copy of ts.</td>
+//! <td>ts will be copied. x.clone_type_system() will return a copy of ts.</td>
+//! <td></td>
+//! </tr>
+//!
+//! <tr>
+//! <td> \code X::dictionary & x.get_dictionary() \endcode </td>
+//! <td>x is mutable</td>
+//! <td></td>
+//! <td>Returns a reference to the dictionary object associated with x.</td>
+//! <td></td>
+//! <td>O(1)</td>
+//! </tr>
+//! </table>
+//!
+//! \section models Models:
+//! - BTK::ATOMS::Atom
+//! - BTK::MOLECULES::Chain
+//! - BTK::MOLECULES::Molecule
+//! - BTK::MOLECULES::Polymer
+//!
+//! \section invariants Invariants:
+//! None.
+//!
+//! \section notes Notes:
+//! None.
+
+#ifndef DOXYGEN_SHOULD_SKIP_THIS
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <typename T>
+struct ChemicallyTypedConcept
+{
+ typedef typename T::chemical_type_system ts_t;
+ typedef typename T::dictionary dict_t;
+ typedef typename T::id_type id_t;
+
+ void constraints() {
+ boost::function_requires<StrictlyChemicallyTypedConcept<T> >();
+
+ dict_t & d = obj.get_dictionary();
+ ts_t & t = obj.get_chemical_type_system();
+
+ obj.set_type(id);
+ obj.set_chemical_type_system(cts);
+
+ boost::ignore_unused_variable_warning(d);
+ boost::ignore_unused_variable_warning(t);
+ }
+
+ T obj;
+ id_t id;
+ ts_t cts;
+};
+
+} // namespace CONCEPTS
+} // namespace BTK
+
+#endif // DOXYGEN_SHOULD_SKIP_THIS
+
+#endif // BTK_CONCEPTS_CHEMICALLY_TYPED_CONCEPT_HPP
diff --git a/btk/core/concepts/monomer_concept.hpp b/btk/core/concepts/monomer_concept.hpp
new file mode 100644
index 0000000..8e6e3e9
--- /dev/null
+++ b/btk/core/concepts/monomer_concept.hpp
@@ -0,0 +1,89 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2004, Tim Robertson (kid50 at users.sourceforge.net)
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_CONCEPTS_MONOMER_CONCEPT_HPP
+#define BTK_CONCEPTS_MONOMER_CONCEPT_HPP
+
+#include <string>
+#include <vector>
+
+#include <boost/concept_check.hpp>
+
+#include <btk/core/concepts/atomic_structure_concept.hpp>
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <class T>
+struct MonomerConcept
+{
+ typedef typename T::atom_type at;
+ typedef typename T::atom_iterator atom_it;
+ typedef typename T::const_atom_iterator const_atom_it;
+ typedef typename T::reverse_atom_iterator rev_atom_it;
+ typedef typename T::const_reverse_atom_iterator const_rev_atom_it;
+ typedef typename T::monomer_id_type monomer_id_type;
+
+ void constraints() {
+ boost::function_requires<AtomicStructureConcept<T> >();
+ boost::function_requires<boost::DefaultConstructibleConcept<T> >();
+
+ // constructors
+ {
+ // construct from arbitrary atom iterators
+ T m1(first,last,type,num);
+
+ // construct from atom iterators
+ T m2(begin,end,type,num);
+ }
+
+ monomer.set_number(num);
+
+ ai = monomer.monomer_begin();
+ ai = monomer.monomer_end();
+ rai = monomer.monomer_rbegin();
+ rai = monomer.monomer_rend();
+
+ const_constraints(monomer);
+ }
+
+ void const_constraints(T const & monomer) {
+ num = monomer.number();
+
+ cai = monomer.monomer_begin();
+ cai = monomer.monomer_end();
+ crai = monomer.monomer_rbegin();
+ crai = monomer.monomer_rend();
+ }
+
+ T monomer;
+ monomer_id_type type;
+ typename std::vector<at>::iterator first,last;
+ atom_it begin,end,ai;
+ const_atom_it cai;
+ rev_atom_it rai;
+ const_rev_atom_it crai;
+ int num;
+};
+
+} // namespace CONCEPTS
+} // namespace BTK
+
+#endif
diff --git a/btk/core/concepts/monomer_iterable_concept.hpp b/btk/core/concepts/monomer_iterable_concept.hpp
new file mode 100644
index 0000000..71eeb2b
--- /dev/null
+++ b/btk/core/concepts/monomer_iterable_concept.hpp
@@ -0,0 +1,90 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2004, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_CONCEPTS_MONOMER_ITERABLE_CONCEPT_HPP
+#define BTK_CONCEPTS_MONOMER_ITERABLE_CONCEPT_HPP
+
+#include <boost/concept_check.hpp>
+
+#include <btk/core/concepts/monomer_iterator_concept.hpp>
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <typename T>
+struct MonomerIterableConcept
+{
+ typedef typename T::size_type st;
+ typedef typename T::const_monomer_iterator const_monomer_it;
+ typedef typename T::const_reverse_monomer_iterator const_rev_monomer_it;
+
+ void constraints()
+ {
+ boost::function_requires<MonomerIteratorConcept<const_monomer_it> >();
+ boost::function_requires<MonomerIteratorConcept<const_rev_monomer_it> >();
+
+ const_constraints(obj);
+ }
+
+ void const_constraints(T const & mc)
+ {
+ size = mc.num_monomers();
+
+ cmi = mc.polymer_begin();
+ cmi = mc.polymer_end();
+
+ crmi = mc.polymer_rbegin();
+ crmi = mc.polymer_rend();
+ }
+
+ T obj;
+ st size;
+ const_monomer_it cmi;
+ const_rev_monomer_it crmi;
+};
+
+template <typename T>
+struct MutableMonomerIterableConcept
+{
+ typedef typename T::monomer_iterator monomer_it;
+ typedef typename T::reverse_monomer_iterator rev_monomer_it;
+
+ void constraints()
+ {
+ boost::function_requires<MonomerIterableConcept<T> >();
+ boost::function_requires<MutableMonomerIteratorConcept<monomer_it> >();
+ boost::function_requires<MutableMonomerIteratorConcept<rev_monomer_it> >();
+
+ mi = mc.polymer_begin();
+ mi = mc.polymer_end();
+
+ rmi = mc.polymer_rbegin();
+ rmi = mc.polymer_rend();
+ }
+
+ T mc;
+ monomer_it mi;
+ rev_monomer_it rmi;
+};
+
+} // namespace CONCEPTS
+} // namespace BTK
+
+#endif
diff --git a/btk/core/concepts/monomer_iterator_concept.hpp b/btk/core/concepts/monomer_iterator_concept.hpp
new file mode 100644
index 0000000..ec19a50
--- /dev/null
+++ b/btk/core/concepts/monomer_iterator_concept.hpp
@@ -0,0 +1,55 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2004, Tim Robertson (kid50 at users.sourceforge.net)
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_CONCEPTS_MONOMER_ITERATOR_CONCEPT_HPP
+#define BTK_CONCEPTS_MONOMER_ITERATOR_CONCEPT_HPP
+
+#include <iterator>
+#include <boost/concept_check.hpp>
+
+#include <btk/core/concepts/monomer_concept.hpp>
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <typename T>
+struct MonomerIteratorConcept
+{
+ typedef typename std::iterator_traits<T>::value_type value_type;
+
+ void constraints() {
+ boost::function_requires<boost::BidirectionalIteratorConcept<T> >();
+ boost::function_requires<MonomerConcept<value_type> >();
+ }
+};
+
+template <typename T>
+struct MutableMonomerIteratorConcept
+{
+ void constraints() {
+ boost::function_requires<MonomerIteratorConcept<T> >();
+ boost::function_requires<boost::Mutable_BidirectionalIteratorConcept<T> >();
+ }
+};
+
+} // namespace CONCEPTS
+} // namespace BTK
+
+#endif
diff --git a/btk/core/concepts/polymer_structure_concept.hpp b/btk/core/concepts/polymer_structure_concept.hpp
new file mode 100644
index 0000000..5d49f2e
--- /dev/null
+++ b/btk/core/concepts/polymer_structure_concept.hpp
@@ -0,0 +1,87 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_CONCEPTS_POLYMER_STRUCTURE_CONCEPT_HPP
+#define BTK_CONCEPTS_POLYMER_STRUCTURE_CONCEPT_HPP
+
+#include <iostream>
+#include <boost/concept_check.hpp>
+
+#include <btk/core/concepts/chemically_typed_concept.hpp>
+#include <btk/core/concepts/monomer_concept.hpp>
+#include <btk/core/concepts/monomer_iterable_concept.hpp>
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <typename T>
+struct PolymerStructureConcept {
+ typedef typename T::monomer_type mt;
+ typedef typename T::monomer_iterator mi;
+ typedef typename T::reverse_monomer_iterator rmi;
+ typedef typename T::const_monomer_iterator cmi;
+ typedef typename T::const_reverse_monomer_iterator crmi;
+ typedef typename T::size_type st;
+
+ void constraints() {
+ boost::function_requires<boost::Mutable_ReversibleContainerConcept<T> >();
+ boost::function_requires<StrictlyChemicallyTypedConcept<T> >();
+ boost::function_requires<MonomerIterableConcept<T> >();
+ boost::function_requires<MonomerConcept<mt> >();
+
+ const_constraints(obj);
+ }
+
+ void const_constraints(T const & polymer) {
+ mt const & monomer_ref = polymer[monomer_num];
+ boost::ignore_unused_variable_warning(monomer_ref);
+
+ std::cout << polymer.print(std::cout);
+ std::cout << polymer.print(std::cout,atom_num,monomer_num);
+ }
+
+ T obj;
+ st atom_num, monomer_num;
+};
+
+template <typename T>
+struct MutablePolymerStructureConcept
+{
+ typedef typename T::monomer_type mt;
+ typedef typename T::size_type st;
+
+ void constraints() {
+ boost::function_requires<boost::SequenceConcept<T> >();
+ boost::function_requires<ChemicallyTypedConcept<T> >();
+ boost::function_requires<PolymerStructureConcept<T> >();
+ boost::function_requires<MutableMonomerIterableConcept<T> >();
+
+ mt & monomer_ref = polymer[monomer_num];
+ boost::ignore_unused_variable_warning(monomer_ref);
+ }
+
+ T polymer;
+ st monomer_num;
+};
+
+} // CONCEPTS
+} // BTK
+
+#endif
diff --git a/btk/core/concepts/system_concept.hpp b/btk/core/concepts/system_concept.hpp
new file mode 100644
index 0000000..9a765b5
--- /dev/null
+++ b/btk/core/concepts/system_concept.hpp
@@ -0,0 +1,77 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_CONCEPTS_SYSTEM_CONCEPT_HPP
+#define BTK_CONCEPTS_SYSTEM_CONCEPT_HPP
+
+#include <iostream>
+#include <boost/concept_check.hpp>
+
+#include <btk/core/concepts/chemically_typed_concept.hpp>
+#include <btk/core/concepts/atom_iterable_concept.hpp>
+#include <btk/core/concepts/chain_iterable_concept.hpp>
+#include <btk/core/concepts/chain_concept.hpp>
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <typename T>
+struct SystemConcept
+{
+ typedef typename T::size_type size_type;
+ typedef typename T::chain_type chain_type;
+ typedef typename T::chain_iterator chain_iterator;
+ typedef typename T::const_chain_iterator const_chain_iterator;
+ typedef typename T::reverse_chain_iterator reverse_chain_iterator;
+ typedef typename T::const_reverse_chain_iterator const_reverse_chain_iterator;
+
+ void constraints() {
+ boost::function_requires<boost::Mutable_ReversibleContainerConcept<T> >();
+ boost::function_requires<StrictlyChemicallyTypedConcept<T> >();
+ boost::function_requires<AtomIterableConcept<T> >();
+ boost::function_requires<ChainIterableConcept<T> >();
+ boost::function_requires<ChainConcept<chain_type> >();
+
+ const_constraints(obj);
+ }
+
+ void const_constraints(T const & system) {
+ std::cout << system.print(std::cout);
+ std::cout << system.print(std::cout,atom_num);
+ }
+
+ T obj;
+ size_type size, atom_num;
+};
+
+template <typename T>
+struct MutableSystemConcept
+{
+ void constraints() {
+ boost::function_requires<boost::SequenceConcept<T> >();
+ boost::function_requires<SystemConcept<T> >();
+ boost::function_requires<ChemicallyTypedConcept<T> >();
+ }
+};
+
+} // CONCEPTS
+} // BTK
+
+#endif
diff --git a/btk/core/concepts/type_id_concept.hpp b/btk/core/concepts/type_id_concept.hpp
new file mode 100644
index 0000000..b259858
--- /dev/null
+++ b/btk/core/concepts/type_id_concept.hpp
@@ -0,0 +1,47 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_CONCEPTS_TYPE_ID_CONCEPT_HPP
+#define BTK_CONCEPTS_TYPE_ID_CONCEPT_HPP
+
+#include <boost/concept_check.hpp>
+#include <btk/core/utility/type_id_traits.hpp>
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <typename T>
+struct TypeIDConcept
+{
+ typedef BTK::UTILITY::TypeIDTraits<T> id_traits;
+
+ void constraints() {
+ boost::function_requires<boost::DefaultConstructibleConcept<T> >();
+ boost::function_requires<boost::CopyConstructibleConcept<T> >();
+ boost::function_requires<boost::AssignableConcept<T> >();
+ boost::function_requires<boost::EqualityComparableConcept<T> >();
+ boost::function_requires<boost::LessThanComparableConcept<T> >();
+ }
+};
+
+} // namespace CONCEPTS
+} // namespace BTK
+
+#endif
diff --git a/btk/core/concepts/type_system_concept.hpp b/btk/core/concepts/type_system_concept.hpp
new file mode 100644
index 0000000..5718194
--- /dev/null
+++ b/btk/core/concepts/type_system_concept.hpp
@@ -0,0 +1,82 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_CONCEPTS_TYPE_SYSTEM_CONCEPT_HPP
+#define BTK_CONCEPTS_TYPE_SYSTEM_CONCEPT_HPP
+
+#include <boost/concept_check.hpp>
+
+namespace BTK {
+namespace CONCEPTS {
+
+template <class T>
+struct TypeSystemConcept
+{
+ typedef typename T::element_dictionary edt;
+ typedef typename T::atom_dictionary adt;
+ typedef typename T::monomer_dictionary mdt;
+ typedef typename T::structure_dictionary sdt;
+
+ typedef typename T::element_id_type eid;
+ typedef typename T::atom_id_type aid;
+ typedef typename T::monomer_id_type mid;
+ typedef typename T::structure_id_type sid;
+
+ // a way to avoid annoying "unused variable" warnings.
+ template<class U> inline void unused_variable(const U&) {}
+
+ void constraints() {
+ boost::function_requires<boost::DefaultConstructibleConcept<T> >();
+ boost::function_requires<boost::CopyConstructibleConcept<T> >();
+ boost::function_requires<boost::AssignableConcept<T> >();
+
+ edt & e = type_system.get_element_dictionary();
+ adt & a = type_system.get_atom_dictionary();
+ mdt & m = type_system.get_monomer_dictionary();
+ sdt & s = type_system.get_structure_dictionary();
+
+ unused_variable(e);
+ unused_variable(a);
+ unused_variable(m);
+ unused_variable(s);
+
+ const_constraints(type_system);
+ }
+
+ void const_constraints(T const & ts) {
+
+ edt const & e = ts.get_element_dictionary();
+ adt const & a = ts.get_atom_dictionary();
+ mdt const & m = ts.get_monomer_dictionary();
+ sdt const & s = ts.get_structure_dictionary();
+
+ unused_variable(e);
+ unused_variable(a);
+ unused_variable(m);
+ unused_variable(s);
+ }
+
+ T type_system;
+};
+
+} // namespace CONCEPTS
+} // namespace BTK
+
+#endif
diff --git a/btk/core/config/btk_config.hpp b/btk/core/config/btk_config.hpp
new file mode 100644
index 0000000..104c7e5
--- /dev/null
+++ b/btk/core/config/btk_config.hpp
@@ -0,0 +1,112 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file btk_config.hpp
+
+#ifndef BTK_CORE_BTK_CONFIG_HPP
+#define BTK_CORE_BTK_CONFIG_HPP
+
+//! \mainpage The BTK Core Library
+//!
+//! \section introduction_to_btk_core Introduction
+//!
+//! The Biomolecule Toolkit (%BTK) is a collection of libraries and tools
+//! for use in the computational modeling of biological macromolecules,
+//! such as proteins, DNA and RNA. It provides a modern, flexible,
+//! standards-based C++ interface for common tasks in molecular modelling.
+//!
+//! This is the "core" %BTK library, representing a set of classes,
+//! interfaces and formal concepts that are generally useful for
+//! computational structural biology. In particular, this library
+//! contains code for the general representation of atoms (BTK::ATOMS),
+//! and molecules (BTK::MOLECULES), as well as some essential algorithms
+//! (BTK::ALGORITHMS), common mathematical routines (BTK::MATH),
+//! input-output operations (BTK::IO), and generally-useful support
+//! classes and functions (BTK::COMMON, BTK::UTILITY).
+//!
+//! \section btk_core_design_philosophy Design Philosophy
+//!
+//! The %BTK libraries rely heavily on template-based C++ design,
+//! and use many practices formalized by the
+//! <a href="http://www.sgi.com/tech/stl/">
+//! Standard Template Library (STL)</a>, the
+//! <a href="http://www.boost.org">boost library</a>, and other modern
+//! C++ libraries. In particular, the %BTK makes
+//! heavy use of iterator-based container classes and algorithms, as
+//! well as contract-based, generic programming techniques
+//! (<a href="http://www.boost.org/more/generic_programming.html">here</a>
+//! is a good introduction to a few of these ideas). As such, the %BTK
+//! is as much a collection of programming <i>concepts</i> as a library of C++
+//! code (we're in the process of \ref btk_core_concepts
+//! "documenting these concepts.")
+//!
+//! There are three main principles guiding the design of the library:
+//!
+//! \subsection p1 1. Flexibility
+//!
+//! Most current molecular modelling code is
+//! application-specific, and difficult or impossible to adapt to
+//! new problems. For this reason, the %BTK is intended to be a flexible
+//! architecture on top of which many different applications and algorithms
+//! may be designed. Modern C++ generic programming techniques, such as
+//! concept-based design, allow us to achieve a great deal of flexibility,
+//! without sacrificing on the second design principle:
+//!
+//! \subsection p2 2. Efficiency
+//!
+//! Despite decades of improvement in language development
+//! and software engineering practices, most current molecular modelling
+//! code is still written in FORTRAN. The reason? Efficiency. Of course,
+//! FORTRAN's legendary speed has usually come at the cost of readability,
+//! flexibility and maintainability.
+//! Again, modern C++ techniques allow careful library designers
+//! the ability to achieve performance on par with hand-optimized FORTRAN.
+//! We are interested in obtaining the maximum performance possible for a
+//! flexible C++ library. Thus, whenever a design change can increase code
+//! efficiency without sacrificing flexibility, we try to adopt that change.
+//!
+//! \subsection p3 3. Simplicity
+//!
+//! Whenever possible we adopt designs that are simple, as well as flexible
+//! and efficient. The many syntactic features of C++ give us a
+//! great deal of power to create simple interfaces that are still very
+//! flexible.
+//!
+
+#include "btk_core_config.h"
+
+////////////////////////////////////////////////////////////////////////////////
+// General Debugging (goal: set/unset BTK_NDEBUG)
+////////////////////////////////////////////////////////////////////////////////
+
+// By default, follow the unix convention:
+// disable all debug code when NDEBUG is defined.
+#ifdef NDEBUG
+# define BTK_NDEBUG
+#else
+# undef BTK_NDEBUG
+#endif
+
+// Allow the user to explicitly enable BTK debugging
+#ifdef BTK_DEBUG
+# undef BTK_NDEBUG
+#endif
+
+#endif // BTK_CORE_BTK_CONFIG_HPP
diff --git a/btk/core/config/btk_core_config.h b/btk/core/config/btk_core_config.h
new file mode 100644
index 0000000..824085b
--- /dev/null
+++ b/btk/core/config/btk_core_config.h
@@ -0,0 +1,121 @@
+#ifndef _BTK_CORE_CONFIG_BTK_CORE_CONFIG_H
+#define _BTK_CORE_CONFIG_BTK_CORE_CONFIG_H 1
+
+/*
+btk/core/config/btk_core_config.h.
+Generated
+automatically
+at
+end
+of
+configure.
+*/
+/* btk/core/config/config.h. Generated by configure. */
+/* btk/core/config/config.h.in. Generated from configure.ac by autoheader. */
+
+/* Define to 1 if you have the <inttypes.h> header file. */
+#ifndef BTK_CORE_HAVE_INTTYPES_H
+#define BTK_CORE_HAVE_INTTYPES_H 1
+#endif
+
+/* Define to 1 if you have the <memory.h> header file. */
+#ifndef BTK_CORE_HAVE_MEMORY_H
+#define BTK_CORE_HAVE_MEMORY_H 1
+#endif
+
+/* Define to 1 if you have the <stdint.h> header file. */
+#ifndef BTK_CORE_HAVE_STDINT_H
+#define BTK_CORE_HAVE_STDINT_H 1
+#endif
+
+/* Define to 1 if you have the <stdlib.h> header file. */
+#ifndef BTK_CORE_HAVE_STDLIB_H
+#define BTK_CORE_HAVE_STDLIB_H 1
+#endif
+
+/* Define to 1 if you have the <strings.h> header file. */
+#ifndef BTK_CORE_HAVE_STRINGS_H
+#define BTK_CORE_HAVE_STRINGS_H 1
+#endif
+
+/* Define to 1 if you have the <string.h> header file. */
+#ifndef BTK_CORE_HAVE_STRING_H
+#define BTK_CORE_HAVE_STRING_H 1
+#endif
+
+/* Define to 1 if you have the <sys/stat.h> header file. */
+#ifndef BTK_CORE_HAVE_SYS_STAT_H
+#define BTK_CORE_HAVE_SYS_STAT_H 1
+#endif
+
+/* Define to 1 if you have the <sys/types.h> header file. */
+#ifndef BTK_CORE_HAVE_SYS_TYPES_H
+#define BTK_CORE_HAVE_SYS_TYPES_H 1
+#endif
+
+/* Define to 1 if you have the <unistd.h> header file. */
+#ifndef BTK_CORE_HAVE_UNISTD_H
+#define BTK_CORE_HAVE_UNISTD_H 1
+#endif
+
+/* The btk_core major version number */
+#ifndef BTK_CORE_MAJOR_VERSION
+#define BTK_CORE_MAJOR_VERSION 0
+#endif
+
+/* The btk_core minor version number */
+#ifndef BTK_CORE_MINOR_VERSION
+#define BTK_CORE_MINOR_VERSION 8
+#endif
+
+/* Name of package */
+#ifndef BTK_CORE_PACKAGE
+#define BTK_CORE_PACKAGE "btk_core"
+#endif
+
+/* Define to the address where bug reports for this package should be sent. */
+#ifndef BTK_CORE_PACKAGE_BUGREPORT
+#define BTK_CORE_PACKAGE_BUGREPORT "btk-bugs at lists.sf.net"
+#endif
+
+/* Define to the full name of this package. */
+#ifndef BTK_CORE_PACKAGE_NAME
+#define BTK_CORE_PACKAGE_NAME "btk_core"
+#endif
+
+/* Define to the full name and version of this package. */
+#ifndef BTK_CORE_PACKAGE_STRING
+#define BTK_CORE_PACKAGE_STRING "btk_core 0.8.1"
+#endif
+
+/* Define to the one symbol short name of this package. */
+#ifndef BTK_CORE_PACKAGE_TARNAME
+#define BTK_CORE_PACKAGE_TARNAME "btk_core"
+#endif
+
+/* Define to the version of this package. */
+#ifndef BTK_CORE_PACKAGE_VERSION
+#define BTK_CORE_PACKAGE_VERSION "0.8.1"
+#endif
+
+/* Define to 1 if you have the ANSI C header files. */
+#ifndef BTK_CORE_STDC_HEADERS
+#define BTK_CORE_STDC_HEADERS 1
+#endif
+
+/* Version number of package */
+#ifndef BTK_CORE_VERSION
+#define BTK_CORE_VERSION "0.8.1"
+#endif
+
+/* Define to empty if `const' does not conform to ANSI C. */
+/* #undef _btk_core_const */
+
+/* Define as `__inline' if that's what the C compiler calls it, or to nothing
+ if it is not supported. */
+/* #undef _btk_core_inline */
+
+/* once:
+_BTK_CORE_CONFIG_BTK_CORE_CONFIG_H
+*/
+#endif
diff --git a/btk/core/config/config.h.in b/btk/core/config/config.h.in
new file mode 100644
index 0000000..b104525
--- /dev/null
+++ b/btk/core/config/config.h.in
@@ -0,0 +1,65 @@
+/* btk/core/config/config.h.in. Generated from configure.ac by autoheader. */
+
+/* Define to 1 if you have the <inttypes.h> header file. */
+#undef HAVE_INTTYPES_H
+
+/* Define to 1 if you have the <memory.h> header file. */
+#undef HAVE_MEMORY_H
+
+/* Define to 1 if you have the <stdint.h> header file. */
+#undef HAVE_STDINT_H
+
+/* Define to 1 if you have the <stdlib.h> header file. */
+#undef HAVE_STDLIB_H
+
+/* Define to 1 if you have the <strings.h> header file. */
+#undef HAVE_STRINGS_H
+
+/* Define to 1 if you have the <string.h> header file. */
+#undef HAVE_STRING_H
+
+/* Define to 1 if you have the <sys/stat.h> header file. */
+#undef HAVE_SYS_STAT_H
+
+/* Define to 1 if you have the <sys/types.h> header file. */
+#undef HAVE_SYS_TYPES_H
+
+/* Define to 1 if you have the <unistd.h> header file. */
+#undef HAVE_UNISTD_H
+
+/* The btk_core major version number */
+#undef MAJOR_VERSION
+
+/* The btk_core minor version number */
+#undef MINOR_VERSION
+
+/* Name of package */
+#undef PACKAGE
+
+/* Define to the address where bug reports for this package should be sent. */
+#undef PACKAGE_BUGREPORT
+
+/* Define to the full name of this package. */
+#undef PACKAGE_NAME
+
+/* Define to the full name and version of this package. */
+#undef PACKAGE_STRING
+
+/* Define to the one symbol short name of this package. */
+#undef PACKAGE_TARNAME
+
+/* Define to the version of this package. */
+#undef PACKAGE_VERSION
+
+/* Define to 1 if you have the ANSI C header files. */
+#undef STDC_HEADERS
+
+/* Version number of package */
+#undef VERSION
+
+/* Define to empty if `const' does not conform to ANSI C. */
+#undef const
+
+/* Define as `__inline' if that's what the C compiler calls it, or to nothing
+ if it is not supported. */
+#undef inline
diff --git a/btk/core/config/depcomp b/btk/core/config/depcomp
new file mode 100755
index 0000000..3480ce4
--- /dev/null
+++ b/btk/core/config/depcomp
@@ -0,0 +1,436 @@
+#! /bin/sh
+
+# depcomp - compile a program generating dependencies as side-effects
+# Copyright 1999, 2000 Free Software Foundation, Inc.
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+# 02111-1307, USA.
+
+# As a special exception to the GNU General Public License, if you
+# distribute this file as part of a program that contains a
+# configuration script generated by Autoconf, you may include it under
+# the same distribution terms that you use for the rest of that program.
+
+# Originally written by Alexandre Oliva <oliva at dcc.unicamp.br>.
+
+if test -z "$depmode" || test -z "$source" || test -z "$object"; then
+ echo "depcomp: Variables source, object and depmode must be set" 1>&2
+ exit 1
+fi
+# `libtool' can also be set to `yes' or `no'.
+
+if test -z "$depfile"; then
+ base=`echo "$object" | sed -e 's,^.*/,,' -e 's,\.\([^.]*\)$,.P\1,'`
+ dir=`echo "$object" | sed 's,/.*$,/,'`
+ if test "$dir" = "$object"; then
+ dir=
+ fi
+ # FIXME: should be _deps on DOS.
+ depfile="$dir.deps/$base"
+fi
+
+tmpdepfile=${tmpdepfile-`echo "$depfile" | sed 's/\.\([^.]*\)$/.T\1/'`}
+
+rm -f "$tmpdepfile"
+
+# Some modes work just like other modes, but use different flags. We
+# parameterize here, but still list the modes in the big case below,
+# to make depend.m4 easier to write. Note that we *cannot* use a case
+# here, because this file can only contain one case statement.
+if test "$depmode" = hp; then
+ # HP compiler uses -M and no extra arg.
+ gccflag=-M
+ depmode=gcc
+fi
+
+if test "$depmode" = dashXmstdout; then
+ # This is just like dashmstdout with a different argument.
+ dashmflag=-xM
+ depmode=dashmstdout
+fi
+
+case "$depmode" in
+gcc3)
+## gcc 3 implements dependency tracking that does exactly what
+## we want. Yay! Note: for some reason libtool 1.4 doesn't like
+## it if -MD -MP comes after the -MF stuff. Hmm.
+ "$@" -MT "$object" -MD -MP -MF "$tmpdepfile"
+ stat=$?
+ if test $stat -eq 0; then :
+ else
+ rm -f "$tmpdepfile"
+ exit $stat
+ fi
+ mv "$tmpdepfile" "$depfile"
+ ;;
+
+gcc)
+## There are various ways to get dependency output from gcc. Here's
+## why we pick this rather obscure method:
+## - Don't want to use -MD because we'd like the dependencies to end
+## up in a subdir. Having to rename by hand is ugly.
+## (We might end up doing this anyway to support other compilers.)
+## - The DEPENDENCIES_OUTPUT environment variable makes gcc act like
+## -MM, not -M (despite what the docs say).
+## - Using -M directly means running the compiler twice (even worse
+## than renaming).
+ if test -z "$gccflag"; then
+ gccflag=-MD,
+ fi
+ "$@" -Wp,"$gccflag$tmpdepfile"
+ stat=$?
+ if test $stat -eq 0; then :
+ else
+ rm -f "$tmpdepfile"
+ exit $stat
+ fi
+ rm -f "$depfile"
+ echo "$object : \\" > "$depfile"
+ alpha=ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz
+## The second -e expression handles DOS-style file names with drive letters.
+ sed -e 's/^[^:]*: / /' \
+ -e 's/^['$alpha']:\/[^:]*: / /' < "$tmpdepfile" >> "$depfile"
+## This next piece of magic avoids the `deleted header file' problem.
+## The problem is that when a header file which appears in a .P file
+## is deleted, the dependency causes make to die (because there is
+## typically no way to rebuild the header). We avoid this by adding
+## dummy dependencies for each header file. Too bad gcc doesn't do
+## this for us directly.
+ tr ' ' '
+' < "$tmpdepfile" |
+## Some versions of gcc put a space before the `:'. On the theory
+## that the space means something, we add a space to the output as
+## well.
+## Some versions of the HPUX 10.20 sed can't process this invocation
+## correctly. Breaking it into two sed invocations is a workaround.
+ sed -e 's/^\\$//' -e '/^$/d' -e '/:$/d' | sed -e 's/$/ :/' >> "$depfile"
+ rm -f "$tmpdepfile"
+ ;;
+
+hp)
+ # This case exists only to let depend.m4 do its work. It works by
+ # looking at the text of this script. This case will never be run,
+ # since it is checked for above.
+ exit 1
+ ;;
+
+sgi)
+ if test "$libtool" = yes; then
+ "$@" "-Wp,-MDupdate,$tmpdepfile"
+ else
+ "$@" -MDupdate "$tmpdepfile"
+ fi
+ stat=$?
+ if test $stat -eq 0; then :
+ else
+ rm -f "$tmpdepfile"
+ exit $stat
+ fi
+ rm -f "$depfile"
+
+ if test -f "$tmpdepfile"; then # yes, the sourcefile depend on other files
+ echo "$object : \\" > "$depfile"
+
+ # Clip off the initial element (the dependent). Don't try to be
+ # clever and replace this with sed code, as IRIX sed won't handle
+ # lines with more than a fixed number of characters (4096 in
+ # IRIX 6.2 sed, 8192 in IRIX 6.5). We also remove comment lines;
+ # the IRIX cc adds comments like `#:fec' to the end of the
+ # dependency line.
+ tr ' ' '
+' < "$tmpdepfile" \
+ | sed -e 's/^.*\.o://' -e 's/#.*$//' -e '/^$/ d' | \
+ tr '
+' ' ' >> $depfile
+ echo >> $depfile
+
+ # The second pass generates a dummy entry for each header file.
+ tr ' ' '
+' < "$tmpdepfile" \
+ | sed -e 's/^.*\.o://' -e 's/#.*$//' -e '/^$/ d' -e 's/$/:/' \
+ >> $depfile
+ else
+ # The sourcefile does not contain any dependencies, so just
+ # store a dummy comment line, to avoid errors with the Makefile
+ # "include basename.Plo" scheme.
+ echo "#dummy" > "$depfile"
+ fi
+ rm -f "$tmpdepfile"
+ ;;
+
+aix)
+ # The C for AIX Compiler uses -M and outputs the dependencies
+ # in a .u file. This file always lives in the current directory.
+ # Also, the AIX compiler puts `$object:' at the start of each line;
+ # $object doesn't have directory information.
+ stripped=`echo "$object" | sed -e 's,^.*/,,' -e 's/\(.*\)\..*$/\1/'`
+ tmpdepfile="$stripped.u"
+ outname="$stripped.o"
+ if test "$libtool" = yes; then
+ "$@" -Wc,-M
+ else
+ "$@" -M
+ fi
+
+ stat=$?
+ if test $stat -eq 0; then :
+ else
+ rm -f "$tmpdepfile"
+ exit $stat
+ fi
+
+ if test -f "$tmpdepfile"; then
+ # Each line is of the form `foo.o: dependent.h'.
+ # Do two passes, one to just change these to
+ # `$object: dependent.h' and one to simply `dependent.h:'.
+ sed -e "s,^$outname:,$object :," < "$tmpdepfile" > "$depfile"
+ sed -e "s,^$outname: \(.*\)$,\1:," < "$tmpdepfile" >> "$depfile"
+ else
+ # The sourcefile does not contain any dependencies, so just
+ # store a dummy comment line, to avoid errors with the Makefile
+ # "include basename.Plo" scheme.
+ echo "#dummy" > "$depfile"
+ fi
+ rm -f "$tmpdepfile"
+ ;;
+
+tru64)
+ # The Tru64 compiler uses -MD to generate dependencies as a side
+ # effect. `cc -MD -o foo.o ...' puts the dependencies into `foo.o.d'.
+ # At least on Alpha/Redhat 6.1, Compaq CCC V6.2-504 seems to put
+ # dependencies in `foo.d' instead, so we check for that too.
+ # Subdirectories are respected.
+
+ base=`echo "$object" | sed -e 's/\.o$//' -e 's/\.lo$//'`
+ tmpdepfile1="$base.o.d"
+ tmpdepfile2="$base.d"
+ if test "$libtool" = yes; then
+ "$@" -Wc,-MD
+ else
+ "$@" -MD
+ fi
+
+ stat=$?
+ if test $stat -eq 0; then :
+ else
+ rm -f "$tmpdepfile1" "$tmpdepfile2"
+ exit $stat
+ fi
+
+ if test -f "$tmpdepfile1"; then
+ tmpdepfile="$tmpdepfile1"
+ else
+ tmpdepfile="$tmpdepfile2"
+ fi
+ if test -f "$tmpdepfile"; then
+ sed -e "s,^.*\.[a-z]*:,$object:," < "$tmpdepfile" > "$depfile"
+ # That's a space and a tab in the [].
+ sed -e 's,^.*\.[a-z]*:[ ]*,,' -e 's,$,:,' < "$tmpdepfile" >> "$depfile"
+ else
+ echo "#dummy" > "$depfile"
+ fi
+ rm -f "$tmpdepfile"
+ ;;
+
+#nosideeffect)
+ # This comment above is used by automake to tell side-effect
+ # dependency tracking mechanisms from slower ones.
+
+dashmstdout)
+ # Important note: in order to support this mode, a compiler *must*
+ # always write the proprocessed file to stdout, regardless of -o,
+ # because we must use -o when running libtool.
+ test -z "$dashmflag" && dashmflag=-M
+ ( IFS=" "
+ case " $* " in
+ *" --mode=compile "*) # this is libtool, let us make it quiet
+ for arg
+ do # cycle over the arguments
+ case "$arg" in
+ "--mode=compile")
+ # insert --quiet before "--mode=compile"
+ set fnord "$@" --quiet
+ shift # fnord
+ ;;
+ esac
+ set fnord "$@" "$arg"
+ shift # fnord
+ shift # "$arg"
+ done
+ ;;
+ esac
+ "$@" $dashmflag | sed 's:^[^:]*\:[ ]*:'"$object"'\: :' > "$tmpdepfile"
+ ) &
+ proc=$!
+ "$@"
+ stat=$?
+ wait "$proc"
+ if test "$stat" != 0; then exit $stat; fi
+ rm -f "$depfile"
+ cat < "$tmpdepfile" > "$depfile"
+ tr ' ' '
+' < "$tmpdepfile" | \
+## Some versions of the HPUX 10.20 sed can't process this invocation
+## correctly. Breaking it into two sed invocations is a workaround.
+ sed -e 's/^\\$//' -e '/^$/d' -e '/:$/d' | sed -e 's/$/ :/' >> "$depfile"
+ rm -f "$tmpdepfile"
+ ;;
+
+dashXmstdout)
+ # This case only exists to satisfy depend.m4. It is never actually
+ # run, as this mode is specially recognized in the preamble.
+ exit 1
+ ;;
+
+makedepend)
+ # X makedepend
+ (
+ shift
+ cleared=no
+ for arg in "$@"; do
+ case $cleared in no)
+ set ""; shift
+ cleared=yes
+ esac
+ case "$arg" in
+ -D*|-I*)
+ set fnord "$@" "$arg"; shift;;
+ -*)
+ ;;
+ *)
+ set fnord "$@" "$arg"; shift;;
+ esac
+ done
+ obj_suffix="`echo $object | sed 's/^.*\././'`"
+ touch "$tmpdepfile"
+ ${MAKEDEPEND-makedepend} 2>/dev/null -o"$obj_suffix" -f"$tmpdepfile" "$@"
+ ) &
+ proc=$!
+ "$@"
+ stat=$?
+ wait "$proc"
+ if test "$stat" != 0; then exit $stat; fi
+ rm -f "$depfile"
+ cat < "$tmpdepfile" > "$depfile"
+ sed '1,2d' "$tmpdepfile" | tr ' ' '
+' | \
+## Some versions of the HPUX 10.20 sed can't process this invocation
+## correctly. Breaking it into two sed invocations is a workaround.
+ sed -e 's/^\\$//' -e '/^$/d' -e '/:$/d' | sed -e 's/$/ :/' >> "$depfile"
+ rm -f "$tmpdepfile" "$tmpdepfile".bak
+ ;;
+
+cpp)
+ # Important note: in order to support this mode, a compiler *must*
+ # always write the proprocessed file to stdout, regardless of -o,
+ # because we must use -o when running libtool.
+ ( IFS=" "
+ case " $* " in
+ *" --mode=compile "*)
+ for arg
+ do # cycle over the arguments
+ case $arg in
+ "--mode=compile")
+ # insert --quiet before "--mode=compile"
+ set fnord "$@" --quiet
+ shift # fnord
+ ;;
+ esac
+ set fnord "$@" "$arg"
+ shift # fnord
+ shift # "$arg"
+ done
+ ;;
+ esac
+ "$@" -E |
+ sed -n '/^# [0-9][0-9]* "\([^"]*\)".*/ s:: \1 \\:p' |
+ sed '$ s: \\$::' > "$tmpdepfile"
+ ) &
+ proc=$!
+ "$@"
+ stat=$?
+ wait "$proc"
+ if test "$stat" != 0; then exit $stat; fi
+ rm -f "$depfile"
+ echo "$object : \\" > "$depfile"
+ cat < "$tmpdepfile" >> "$depfile"
+ sed < "$tmpdepfile" '/^$/d;s/^ //;s/ \\$//;s/$/ :/' >> "$depfile"
+ rm -f "$tmpdepfile"
+ ;;
+
+msvisualcpp)
+ # Important note: in order to support this mode, a compiler *must*
+ # always write the proprocessed file to stdout, regardless of -o,
+ # because we must use -o when running libtool.
+ ( IFS=" "
+ case " $* " in
+ *" --mode=compile "*)
+ for arg
+ do # cycle over the arguments
+ case $arg in
+ "--mode=compile")
+ # insert --quiet before "--mode=compile"
+ set fnord "$@" --quiet
+ shift # fnord
+ ;;
+ esac
+ set fnord "$@" "$arg"
+ shift # fnord
+ shift # "$arg"
+ done
+ ;;
+ esac
+ for arg
+ do
+ case "$arg" in
+ "-Gm"|"/Gm"|"-Gi"|"/Gi"|"-ZI"|"/ZI")
+ set fnord "$@"
+ shift
+ shift
+ ;;
+ *)
+ set fnord "$@" "$arg"
+ shift
+ shift
+ ;;
+ esac
+ done
+ "$@" -E |
+ sed -n '/^#line [0-9][0-9]* "\([^"]*\)"/ s::echo "`cygpath -u \\"\1\\"`":p' | sort | uniq > "$tmpdepfile"
+ ) &
+ proc=$!
+ "$@"
+ stat=$?
+ wait "$proc"
+ if test "$stat" != 0; then exit $stat; fi
+ rm -f "$depfile"
+ echo "$object : \\" > "$depfile"
+ . "$tmpdepfile" | sed 's% %\\ %g' | sed -n '/^\(.*\)$/ s:: \1 \\:p' >> "$depfile"
+ echo " " >> "$depfile"
+ . "$tmpdepfile" | sed 's% %\\ %g' | sed -n '/^\(.*\)$/ s::\1\::p' >> "$depfile"
+ rm -f "$tmpdepfile"
+ ;;
+
+none)
+ exec "$@"
+ ;;
+
+*)
+ echo "Unknown depmode $depmode" 1>&2
+ exit 1
+ ;;
+esac
+
+exit 0
diff --git a/btk/core/config/install-sh b/btk/core/config/install-sh
new file mode 100755
index 0000000..398a88e
--- /dev/null
+++ b/btk/core/config/install-sh
@@ -0,0 +1,251 @@
+#!/bin/sh
+#
+# install - install a program, script, or datafile
+# This comes from X11R5 (mit/util/scripts/install.sh).
+#
+# Copyright 1991 by the Massachusetts Institute of Technology
+#
+# Permission to use, copy, modify, distribute, and sell this software and its
+# documentation for any purpose is hereby granted without fee, provided that
+# the above copyright notice appear in all copies and that both that
+# copyright notice and this permission notice appear in supporting
+# documentation, and that the name of M.I.T. not be used in advertising or
+# publicity pertaining to distribution of the software without specific,
+# written prior permission. M.I.T. makes no representations about the
+# suitability of this software for any purpose. It is provided "as is"
+# without express or implied warranty.
+#
+# Calling this script install-sh is preferred over install.sh, to prevent
+# `make' implicit rules from creating a file called install from it
+# when there is no Makefile.
+#
+# This script is compatible with the BSD install script, but was written
+# from scratch. It can only install one file at a time, a restriction
+# shared with many OS's install programs.
+
+
+# set DOITPROG to echo to test this script
+
+# Don't use :- since 4.3BSD and earlier shells don't like it.
+doit="${DOITPROG-}"
+
+
+# put in absolute paths if you don't have them in your path; or use env. vars.
+
+mvprog="${MVPROG-mv}"
+cpprog="${CPPROG-cp}"
+chmodprog="${CHMODPROG-chmod}"
+chownprog="${CHOWNPROG-chown}"
+chgrpprog="${CHGRPPROG-chgrp}"
+stripprog="${STRIPPROG-strip}"
+rmprog="${RMPROG-rm}"
+mkdirprog="${MKDIRPROG-mkdir}"
+
+transformbasename=""
+transform_arg=""
+instcmd="$mvprog"
+chmodcmd="$chmodprog 0755"
+chowncmd=""
+chgrpcmd=""
+stripcmd=""
+rmcmd="$rmprog -f"
+mvcmd="$mvprog"
+src=""
+dst=""
+dir_arg=""
+
+while [ x"$1" != x ]; do
+ case $1 in
+ -c) instcmd="$cpprog"
+ shift
+ continue;;
+
+ -d) dir_arg=true
+ shift
+ continue;;
+
+ -m) chmodcmd="$chmodprog $2"
+ shift
+ shift
+ continue;;
+
+ -o) chowncmd="$chownprog $2"
+ shift
+ shift
+ continue;;
+
+ -g) chgrpcmd="$chgrpprog $2"
+ shift
+ shift
+ continue;;
+
+ -s) stripcmd="$stripprog"
+ shift
+ continue;;
+
+ -t=*) transformarg=`echo $1 | sed 's/-t=//'`
+ shift
+ continue;;
+
+ -b=*) transformbasename=`echo $1 | sed 's/-b=//'`
+ shift
+ continue;;
+
+ *) if [ x"$src" = x ]
+ then
+ src=$1
+ else
+ # this colon is to work around a 386BSD /bin/sh bug
+ :
+ dst=$1
+ fi
+ shift
+ continue;;
+ esac
+done
+
+if [ x"$src" = x ]
+then
+ echo "install: no input file specified"
+ exit 1
+else
+ :
+fi
+
+if [ x"$dir_arg" != x ]; then
+ dst=$src
+ src=""
+
+ if [ -d $dst ]; then
+ instcmd=:
+ chmodcmd=""
+ else
+ instcmd=$mkdirprog
+ fi
+else
+
+# Waiting for this to be detected by the "$instcmd $src $dsttmp" command
+# might cause directories to be created, which would be especially bad
+# if $src (and thus $dsttmp) contains '*'.
+
+ if [ -f $src -o -d $src ]
+ then
+ :
+ else
+ echo "install: $src does not exist"
+ exit 1
+ fi
+
+ if [ x"$dst" = x ]
+ then
+ echo "install: no destination specified"
+ exit 1
+ else
+ :
+ fi
+
+# If destination is a directory, append the input filename; if your system
+# does not like double slashes in filenames, you may need to add some logic
+
+ if [ -d $dst ]
+ then
+ dst="$dst"/`basename $src`
+ else
+ :
+ fi
+fi
+
+## this sed command emulates the dirname command
+dstdir=`echo $dst | sed -e 's,[^/]*$,,;s,/$,,;s,^$,.,'`
+
+# Make sure that the destination directory exists.
+# this part is taken from Noah Friedman's mkinstalldirs script
+
+# Skip lots of stat calls in the usual case.
+if [ ! -d "$dstdir" ]; then
+defaultIFS='
+ '
+IFS="${IFS-${defaultIFS}}"
+
+oIFS="${IFS}"
+# Some sh's can't handle IFS=/ for some reason.
+IFS='%'
+set - `echo ${dstdir} | sed -e 's@/@%@g' -e 's@^%@/@'`
+IFS="${oIFS}"
+
+pathcomp=''
+
+while [ $# -ne 0 ] ; do
+ pathcomp="${pathcomp}${1}"
+ shift
+
+ if [ ! -d "${pathcomp}" ] ;
+ then
+ $mkdirprog "${pathcomp}"
+ else
+ :
+ fi
+
+ pathcomp="${pathcomp}/"
+done
+fi
+
+if [ x"$dir_arg" != x ]
+then
+ $doit $instcmd $dst &&
+
+ if [ x"$chowncmd" != x ]; then $doit $chowncmd $dst; else : ; fi &&
+ if [ x"$chgrpcmd" != x ]; then $doit $chgrpcmd $dst; else : ; fi &&
+ if [ x"$stripcmd" != x ]; then $doit $stripcmd $dst; else : ; fi &&
+ if [ x"$chmodcmd" != x ]; then $doit $chmodcmd $dst; else : ; fi
+else
+
+# If we're going to rename the final executable, determine the name now.
+
+ if [ x"$transformarg" = x ]
+ then
+ dstfile=`basename $dst`
+ else
+ dstfile=`basename $dst $transformbasename |
+ sed $transformarg`$transformbasename
+ fi
+
+# don't allow the sed command to completely eliminate the filename
+
+ if [ x"$dstfile" = x ]
+ then
+ dstfile=`basename $dst`
+ else
+ :
+ fi
+
+# Make a temp file name in the proper directory.
+
+ dsttmp=$dstdir/#inst.$$#
+
+# Move or copy the file name to the temp name
+
+ $doit $instcmd $src $dsttmp &&
+
+ trap "rm -f ${dsttmp}" 0 &&
+
+# and set any options; do chmod last to preserve setuid bits
+
+# If any of these fail, we abort the whole thing. If we want to
+# ignore errors from any of these, just make sure not to ignore
+# errors from the above "$doit $instcmd $src $dsttmp" command.
+
+ if [ x"$chowncmd" != x ]; then $doit $chowncmd $dsttmp; else :;fi &&
+ if [ x"$chgrpcmd" != x ]; then $doit $chgrpcmd $dsttmp; else :;fi &&
+ if [ x"$stripcmd" != x ]; then $doit $stripcmd $dsttmp; else :;fi &&
+ if [ x"$chmodcmd" != x ]; then $doit $chmodcmd $dsttmp; else :;fi &&
+
+# Now rename the file to the real destination.
+
+ $doit $rmcmd -f $dstdir/$dstfile &&
+ $doit $mvcmd $dsttmp $dstdir/$dstfile
+
+fi &&
+
+
+exit 0
diff --git a/btk/core/config/missing b/btk/core/config/missing
new file mode 100755
index 0000000..dd58370
--- /dev/null
+++ b/btk/core/config/missing
@@ -0,0 +1,336 @@
+#! /bin/sh
+# Common stub for a few missing GNU programs while installing.
+# Copyright 1996, 1997, 1999, 2000 Free Software Foundation, Inc.
+# Originally by Fran,cois Pinard <pinard at iro.umontreal.ca>, 1996.
+
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation; either version 2, or (at your option)
+# any later version.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+
+# You should have received a copy of the GNU General Public License
+# along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA
+# 02111-1307, USA.
+
+# As a special exception to the GNU General Public License, if you
+# distribute this file as part of a program that contains a
+# configuration script generated by Autoconf, you may include it under
+# the same distribution terms that you use for the rest of that program.
+
+if test $# -eq 0; then
+ echo 1>&2 "Try \`$0 --help' for more information"
+ exit 1
+fi
+
+run=:
+
+# In the cases where this matters, `missing' is being run in the
+# srcdir already.
+if test -f configure.ac; then
+ configure_ac=configure.ac
+else
+ configure_ac=configure.in
+fi
+
+case "$1" in
+--run)
+ # Try to run requested program, and just exit if it succeeds.
+ run=
+ shift
+ "$@" && exit 0
+ ;;
+esac
+
+# If it does not exist, or fails to run (possibly an outdated version),
+# try to emulate it.
+case "$1" in
+
+ -h|--h|--he|--hel|--help)
+ echo "\
+$0 [OPTION]... PROGRAM [ARGUMENT]...
+
+Handle \`PROGRAM [ARGUMENT]...' for when PROGRAM is missing, or return an
+error status if there is no known handling for PROGRAM.
+
+Options:
+ -h, --help display this help and exit
+ -v, --version output version information and exit
+ --run try to run the given command, and emulate it if it fails
+
+Supported PROGRAM values:
+ aclocal touch file \`aclocal.m4'
+ autoconf touch file \`configure'
+ autoheader touch file \`config.h.in'
+ automake touch all \`Makefile.in' files
+ bison create \`y.tab.[ch]', if possible, from existing .[ch]
+ flex create \`lex.yy.c', if possible, from existing .c
+ help2man touch the output file
+ lex create \`lex.yy.c', if possible, from existing .c
+ makeinfo touch the output file
+ tar try tar, gnutar, gtar, then tar without non-portable flags
+ yacc create \`y.tab.[ch]', if possible, from existing .[ch]"
+ ;;
+
+ -v|--v|--ve|--ver|--vers|--versi|--versio|--version)
+ echo "missing 0.4 - GNU automake"
+ ;;
+
+ -*)
+ echo 1>&2 "$0: Unknown \`$1' option"
+ echo 1>&2 "Try \`$0 --help' for more information"
+ exit 1
+ ;;
+
+ aclocal*)
+ if test -z "$run" && ($1 --version) > /dev/null 2>&1; then
+ # We have it, but it failed.
+ exit 1
+ fi
+
+ echo 1>&2 "\
+WARNING: \`$1' is missing on your system. You should only need it if
+ you modified \`acinclude.m4' or \`${configure_ac}'. You might want
+ to install the \`Automake' and \`Perl' packages. Grab them from
+ any GNU archive site."
+ touch aclocal.m4
+ ;;
+
+ autoconf)
+ if test -z "$run" && ($1 --version) > /dev/null 2>&1; then
+ # We have it, but it failed.
+ exit 1
+ fi
+
+ echo 1>&2 "\
+WARNING: \`$1' is missing on your system. You should only need it if
+ you modified \`${configure_ac}'. You might want to install the
+ \`Autoconf' and \`GNU m4' packages. Grab them from any GNU
+ archive site."
+ touch configure
+ ;;
+
+ autoheader)
+ if test -z "$run" && ($1 --version) > /dev/null 2>&1; then
+ # We have it, but it failed.
+ exit 1
+ fi
+
+ echo 1>&2 "\
+WARNING: \`$1' is missing on your system. You should only need it if
+ you modified \`acconfig.h' or \`${configure_ac}'. You might want
+ to install the \`Autoconf' and \`GNU m4' packages. Grab them
+ from any GNU archive site."
+ files=`sed -n 's/^[ ]*A[CM]_CONFIG_HEADER(\([^)]*\)).*/\1/p' ${configure_ac}`
+ test -z "$files" && files="config.h"
+ touch_files=
+ for f in $files; do
+ case "$f" in
+ *:*) touch_files="$touch_files "`echo "$f" |
+ sed -e 's/^[^:]*://' -e 's/:.*//'`;;
+ *) touch_files="$touch_files $f.in";;
+ esac
+ done
+ touch $touch_files
+ ;;
+
+ automake*)
+ if test -z "$run" && ($1 --version) > /dev/null 2>&1; then
+ # We have it, but it failed.
+ exit 1
+ fi
+
+ echo 1>&2 "\
+WARNING: \`$1' is missing on your system. You should only need it if
+ you modified \`Makefile.am', \`acinclude.m4' or \`${configure_ac}'.
+ You might want to install the \`Automake' and \`Perl' packages.
+ Grab them from any GNU archive site."
+ find . -type f -name Makefile.am -print |
+ sed 's/\.am$/.in/' |
+ while read f; do touch "$f"; done
+ ;;
+
+ autom4te)
+ if test -z "$run" && ($1 --version) > /dev/null 2>&1; then
+ # We have it, but it failed.
+ exit 1
+ fi
+
+ echo 1>&2 "\
+WARNING: \`$1' is needed, and you do not seem to have it handy on your
+ system. You might have modified some files without having the
+ proper tools for further handling them.
+ You can get \`$1Help2man' as part of \`Autoconf' from any GNU
+ archive site."
+
+ file=`echo "$*" | sed -n 's/.*--output[ =]*\([^ ]*\).*/\1/p'`
+ test -z "$file" && file=`echo "$*" | sed -n 's/.*-o[ ]*\([^ ]*\).*/\1/p'`
+ if test -f "$file"; then
+ touch $file
+ else
+ test -z "$file" || exec >$file
+ echo "#! /bin/sh"
+ echo "# Created by GNU Automake missing as a replacement of"
+ echo "# $ $@"
+ echo "exit 0"
+ chmod +x $file
+ exit 1
+ fi
+ ;;
+
+ bison|yacc)
+ echo 1>&2 "\
+WARNING: \`$1' is missing on your system. You should only need it if
+ you modified a \`.y' file. You may need the \`Bison' package
+ in order for those modifications to take effect. You can get
+ \`Bison' from any GNU archive site."
+ rm -f y.tab.c y.tab.h
+ if [ $# -ne 1 ]; then
+ eval LASTARG="\${$#}"
+ case "$LASTARG" in
+ *.y)
+ SRCFILE=`echo "$LASTARG" | sed 's/y$/c/'`
+ if [ -f "$SRCFILE" ]; then
+ cp "$SRCFILE" y.tab.c
+ fi
+ SRCFILE=`echo "$LASTARG" | sed 's/y$/h/'`
+ if [ -f "$SRCFILE" ]; then
+ cp "$SRCFILE" y.tab.h
+ fi
+ ;;
+ esac
+ fi
+ if [ ! -f y.tab.h ]; then
+ echo >y.tab.h
+ fi
+ if [ ! -f y.tab.c ]; then
+ echo 'main() { return 0; }' >y.tab.c
+ fi
+ ;;
+
+ lex|flex)
+ echo 1>&2 "\
+WARNING: \`$1' is missing on your system. You should only need it if
+ you modified a \`.l' file. You may need the \`Flex' package
+ in order for those modifications to take effect. You can get
+ \`Flex' from any GNU archive site."
+ rm -f lex.yy.c
+ if [ $# -ne 1 ]; then
+ eval LASTARG="\${$#}"
+ case "$LASTARG" in
+ *.l)
+ SRCFILE=`echo "$LASTARG" | sed 's/l$/c/'`
+ if [ -f "$SRCFILE" ]; then
+ cp "$SRCFILE" lex.yy.c
+ fi
+ ;;
+ esac
+ fi
+ if [ ! -f lex.yy.c ]; then
+ echo 'main() { return 0; }' >lex.yy.c
+ fi
+ ;;
+
+ help2man)
+ if test -z "$run" && ($1 --version) > /dev/null 2>&1; then
+ # We have it, but it failed.
+ exit 1
+ fi
+
+ echo 1>&2 "\
+WARNING: \`$1' is missing on your system. You should only need it if
+ you modified a dependency of a manual page. You may need the
+ \`Help2man' package in order for those modifications to take
+ effect. You can get \`Help2man' from any GNU archive site."
+
+ file=`echo "$*" | sed -n 's/.*-o \([^ ]*\).*/\1/p'`
+ if test -z "$file"; then
+ file=`echo "$*" | sed -n 's/.*--output=\([^ ]*\).*/\1/p'`
+ fi
+ if [ -f "$file" ]; then
+ touch $file
+ else
+ test -z "$file" || exec >$file
+ echo ".ab help2man is required to generate this page"
+ exit 1
+ fi
+ ;;
+
+ makeinfo)
+ if test -z "$run" && (makeinfo --version) > /dev/null 2>&1; then
+ # We have makeinfo, but it failed.
+ exit 1
+ fi
+
+ echo 1>&2 "\
+WARNING: \`$1' is missing on your system. You should only need it if
+ you modified a \`.texi' or \`.texinfo' file, or any other file
+ indirectly affecting the aspect of the manual. The spurious
+ call might also be the consequence of using a buggy \`make' (AIX,
+ DU, IRIX). You might want to install the \`Texinfo' package or
+ the \`GNU make' package. Grab either from any GNU archive site."
+ file=`echo "$*" | sed -n 's/.*-o \([^ ]*\).*/\1/p'`
+ if test -z "$file"; then
+ file=`echo "$*" | sed 's/.* \([^ ]*\) *$/\1/'`
+ file=`sed -n '/^@setfilename/ { s/.* \([^ ]*\) *$/\1/; p; q; }' $file`
+ fi
+ touch $file
+ ;;
+
+ tar)
+ shift
+ if test -n "$run"; then
+ echo 1>&2 "ERROR: \`tar' requires --run"
+ exit 1
+ fi
+
+ # We have already tried tar in the generic part.
+ # Look for gnutar/gtar before invocation to avoid ugly error
+ # messages.
+ if (gnutar --version > /dev/null 2>&1); then
+ gnutar ${1+"$@"} && exit 0
+ fi
+ if (gtar --version > /dev/null 2>&1); then
+ gtar ${1+"$@"} && exit 0
+ fi
+ firstarg="$1"
+ if shift; then
+ case "$firstarg" in
+ *o*)
+ firstarg=`echo "$firstarg" | sed s/o//`
+ tar "$firstarg" ${1+"$@"} && exit 0
+ ;;
+ esac
+ case "$firstarg" in
+ *h*)
+ firstarg=`echo "$firstarg" | sed s/h//`
+ tar "$firstarg" ${1+"$@"} && exit 0
+ ;;
+ esac
+ fi
+
+ echo 1>&2 "\
+WARNING: I can't seem to be able to run \`tar' with the given arguments.
+ You may want to install GNU tar or Free paxutils, or check the
+ command line arguments."
+ exit 1
+ ;;
+
+ *)
+ echo 1>&2 "\
+WARNING: \`$1' is needed, and you do not seem to have it handy on your
+ system. You might have modified some files without having the
+ proper tools for further handling them. Check the \`README' file,
+ it often tells you about the needed prerequirements for installing
+ this package. You may also peek at any GNU archive site, in case
+ some other package would contain this missing \`$1' program."
+ exit 1
+ ;;
+esac
+
+exit 0
diff --git a/btk/core/config/mkinstalldirs b/btk/core/config/mkinstalldirs
new file mode 100755
index 0000000..fdf4b14
--- /dev/null
+++ b/btk/core/config/mkinstalldirs
@@ -0,0 +1,101 @@
+#! /bin/sh
+# mkinstalldirs --- make directory hierarchy
+# Author: Noah Friedman <friedman at prep.ai.mit.edu>
+# Created: 1993-05-16
+# Public domain
+
+# $Id: mkinstalldirs,v 1.1 2004/03/31 07:04:46 kid50 Exp $
+
+errstatus=0
+dirmode=""
+
+usage="\
+Usage: mkinstalldirs [-h] [--help] [-m mode] dir ..."
+
+# process command line arguments
+while test $# -gt 0 ; do
+ case "${1}" in
+ -h | --help | --h* ) # -h for help
+ echo "${usage}" 1>&2; exit 0 ;;
+ -m ) # -m PERM arg
+ shift
+ test $# -eq 0 && { echo "${usage}" 1>&2; exit 1; }
+ dirmode="${1}"
+ shift ;;
+ -- ) shift; break ;; # stop option processing
+ -* ) echo "${usage}" 1>&2; exit 1 ;; # unknown option
+ * ) break ;; # first non-opt arg
+ esac
+done
+
+for file
+do
+ if test -d "$file"; then
+ shift
+ else
+ break
+ fi
+done
+
+case $# in
+0) exit 0 ;;
+esac
+
+case $dirmode in
+'')
+ if mkdir -p -- . 2>/dev/null; then
+ echo "mkdir -p -- $*"
+ exec mkdir -p -- "$@"
+ fi ;;
+*)
+ if mkdir -m "$dirmode" -p -- . 2>/dev/null; then
+ echo "mkdir -m $dirmode -p -- $*"
+ exec mkdir -m "$dirmode" -p -- "$@"
+ fi ;;
+esac
+
+for file
+do
+ set fnord `echo ":$file" | sed -ne 's/^:\//#/;s/^://;s/\// /g;s/^#/\//;p'`
+ shift
+
+ pathcomp=
+ for d
+ do
+ pathcomp="$pathcomp$d"
+ case "$pathcomp" in
+ -* ) pathcomp=./$pathcomp ;;
+ esac
+
+ if test ! -d "$pathcomp"; then
+ echo "mkdir $pathcomp"
+
+ mkdir "$pathcomp" || lasterr=$?
+
+ if test ! -d "$pathcomp"; then
+ errstatus=$lasterr
+ else
+ if test ! -z "$dirmode"; then
+ echo "chmod $dirmode $pathcomp"
+
+ lasterr=""
+ chmod "$dirmode" "$pathcomp" || lasterr=$?
+
+ if test ! -z "$lasterr"; then
+ errstatus=$lasterr
+ fi
+ fi
+ fi
+ fi
+
+ pathcomp="$pathcomp/"
+ done
+done
+
+exit $errstatus
+
+# Local Variables:
+# mode: shell-script
+# sh-indentation: 3
+# End:
+# mkinstalldirs ends here
diff --git a/btk/core/elements/default_element_dictionary.cpp b/btk/core/elements/default_element_dictionary.cpp
new file mode 100644
index 0000000..d1444bd
--- /dev/null
+++ b/btk/core/elements/default_element_dictionary.cpp
@@ -0,0 +1,154 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <btk/core/elements/default_element_dictionary.hpp>
+
+BTK::ELEMENTS::DefaultElementDictionary::
+DefaultElementDictionary() : base_type(false) // not case-sensitive
+{
+#define ELEMENT(sym) \
+ base_type::insert(value_type(ElementType::sym(),#sym))
+
+ ELEMENT(H);
+ ELEMENT(He);
+
+ ELEMENT(Li);
+ ELEMENT(Be);
+ ELEMENT(B);
+ ELEMENT(C);
+ ELEMENT(N);
+ ELEMENT(O);
+ ELEMENT(F);
+ ELEMENT(Ne);
+
+ ELEMENT(Na);
+ ELEMENT(Mg);
+ ELEMENT(Al);
+ ELEMENT(Si);
+ ELEMENT(P);
+ ELEMENT(S);
+ ELEMENT(Cl);
+ ELEMENT(Ar);
+
+ ELEMENT(K);
+ ELEMENT(Ca);
+ ELEMENT(Sc);
+ ELEMENT(Ti);
+ ELEMENT(V);
+ ELEMENT(Cr);
+ ELEMENT(Mn);
+ ELEMENT(Fe);
+ ELEMENT(Co);
+ ELEMENT(Ni);
+ ELEMENT(Cu);
+ ELEMENT(Zn);
+ ELEMENT(Ga);
+ ELEMENT(Ge);
+ ELEMENT(As);
+ ELEMENT(Se);
+ ELEMENT(Br);
+ ELEMENT(Kr);
+
+ ELEMENT(Rb);
+ ELEMENT(Sr);
+ ELEMENT(Y);
+ ELEMENT(Zr);
+ ELEMENT(Nb);
+ ELEMENT(Mo);
+ ELEMENT(Tc);
+ ELEMENT(Ru);
+ ELEMENT(Rh);
+ ELEMENT(Pd);
+ ELEMENT(Ag);
+ ELEMENT(Cd);
+ ELEMENT(In);
+ ELEMENT(Sn);
+ ELEMENT(Sb);
+ ELEMENT(Te);
+ ELEMENT(I);
+ ELEMENT(Xe);
+
+ ELEMENT(Cs);
+ ELEMENT(Ba);
+ ELEMENT(La);
+
+ ELEMENT(Ce);
+ ELEMENT(Pr);
+ ELEMENT(Nd);
+ ELEMENT(Pm);
+ ELEMENT(Sm);
+ ELEMENT(Eu);
+ ELEMENT(Gd);
+ ELEMENT(Tb);
+ ELEMENT(Dy);
+ ELEMENT(Ho);
+ ELEMENT(Er);
+ ELEMENT(Tm);
+ ELEMENT(Yb);
+ ELEMENT(Lu);
+
+ ELEMENT(Hf);
+ ELEMENT(Ta);
+ ELEMENT(W);
+ ELEMENT(Re);
+ ELEMENT(Os);
+ ELEMENT(Ir);
+ ELEMENT(Pt);
+ ELEMENT(Au);
+ ELEMENT(Hg);
+ ELEMENT(Tl);
+ ELEMENT(Pb);
+ ELEMENT(Bi);
+ ELEMENT(Po);
+ ELEMENT(At);
+ ELEMENT(Rn);
+
+ ELEMENT(Fr);
+ ELEMENT(Ra);
+ ELEMENT(Ac);
+
+ ELEMENT(Th);
+ ELEMENT(Pa);
+ ELEMENT(U);
+ ELEMENT(Np);
+ ELEMENT(Pu);
+ ELEMENT(Am);
+ ELEMENT(Cm);
+ ELEMENT(Bk);
+ ELEMENT(Cf);
+ ELEMENT(Es);
+ ELEMENT(Fm);
+ ELEMENT(Md);
+ ELEMENT(No);
+ ELEMENT(Lr);
+
+ ELEMENT(Rf);
+ ELEMENT(Db);
+ ELEMENT(Sg);
+ ELEMENT(Bh);
+ ELEMENT(Hs);
+ ELEMENT(Mt);
+ ELEMENT(Ds);
+ ELEMENT(Rg);
+
+#undef ELEMENT
+}
+
+
diff --git a/btk/core/elements/default_element_dictionary.hpp b/btk/core/elements/default_element_dictionary.hpp
new file mode 100644
index 0000000..4f81b6a
--- /dev/null
+++ b/btk/core/elements/default_element_dictionary.hpp
@@ -0,0 +1,50 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_ELEMENTS_DEFAULT_ELEMENT_DICTIONARY_HPP
+#define BTK_ELEMENTS_DEFAULT_ELEMENT_DICTIONARY_HPP
+
+#include <btk/core/io/dictionary.hpp>
+#include <btk/core/elements/element_types.hpp>
+
+namespace BTK {
+namespace ELEMENTS {
+
+class DefaultElementDictionary :
+ public BTK::IO::Dictionary<ElementType>
+{
+public:
+ typedef BTK::IO::Dictionary<ElementType> base_type;
+
+ typedef base_type::id_type id_type;
+ typedef base_type::value_type value_type;
+ typedef base_type::const_iterator const_iterator;
+
+ DefaultElementDictionary();
+ DefaultElementDictionary(DefaultElementDictionary const & src) :
+ base_type(src) {}
+
+ virtual ~DefaultElementDictionary() {}
+};
+
+} // namespace ELEMENTS
+} // namespace BTK
+
+#endif
diff --git a/btk/core/elements/element_types.hpp b/btk/core/elements/element_types.hpp
new file mode 100644
index 0000000..960d7a3
--- /dev/null
+++ b/btk/core/elements/element_types.hpp
@@ -0,0 +1,200 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file element_types.hpp
+/// Definition of the ElementType ID class.
+
+#ifndef BTK_ELEMENTS_ELEMENT_TYPES_HPP
+#define BTK_ELEMENTS_ELEMENT_TYPES_HPP
+
+#include <btk/core/utility/type_id.hpp>
+#include <btk/core/utility/type_id_traits.hpp>
+
+namespace BTK {
+namespace ELEMENTS {
+
+/// A pseudo-enum class for representing element types.
+///
+/// Why use this class instead of an enum or an integer? Type safety.
+/// Nonsensical ElementType values can never be defined, and
+/// therefore, the compiler can enforce the use of "real" ElementType
+/// values.
+///
+class ElementType :
+ public BTK::UTILITY::TypeID<ElementType>
+{
+ typedef BTK::UTILITY::TypeID<ElementType> base_type;
+
+public:
+ ElementType() : base_type(unknown()) {}
+
+ static const ElementType unknown() { return ElementType(-1); }
+
+ static const ElementType H() { return ElementType(0); }
+ static const ElementType He() { return ElementType(1); }
+
+ static const ElementType Li() { return ElementType(2); }
+ static const ElementType Be() { return ElementType(3); }
+ static const ElementType B() { return ElementType(4); }
+ static const ElementType C() { return ElementType(5); }
+ static const ElementType N() { return ElementType(6); }
+ static const ElementType O() { return ElementType(7); }
+ static const ElementType F() { return ElementType(8); }
+ static const ElementType Ne() { return ElementType(9); }
+
+ static const ElementType Na() { return ElementType(10); }
+ static const ElementType Mg() { return ElementType(11); }
+ static const ElementType Al() { return ElementType(12); }
+ static const ElementType Si() { return ElementType(13); }
+ static const ElementType P() { return ElementType(14); }
+ static const ElementType S() { return ElementType(15); }
+ static const ElementType Cl() { return ElementType(16); }
+ static const ElementType Ar() { return ElementType(17); }
+
+ static const ElementType K() { return ElementType(18); }
+ static const ElementType Ca() { return ElementType(19); }
+ static const ElementType Sc() { return ElementType(20); }
+ static const ElementType Ti() { return ElementType(21); }
+ static const ElementType V() { return ElementType(22); }
+ static const ElementType Cr() { return ElementType(23); }
+ static const ElementType Mn() { return ElementType(24); }
+ static const ElementType Fe() { return ElementType(25); }
+ static const ElementType Co() { return ElementType(26); }
+ static const ElementType Ni() { return ElementType(27); }
+ static const ElementType Cu() { return ElementType(28); }
+ static const ElementType Zn() { return ElementType(29); }
+ static const ElementType Ga() { return ElementType(30); }
+ static const ElementType Ge() { return ElementType(31); }
+ static const ElementType As() { return ElementType(32); }
+ static const ElementType Se() { return ElementType(33); }
+ static const ElementType Br() { return ElementType(34); }
+ static const ElementType Kr() { return ElementType(35); }
+ static const ElementType Rb() { return ElementType(36); }
+ static const ElementType Sr() { return ElementType(37); }
+ static const ElementType Y() { return ElementType(38); }
+ static const ElementType Zr() { return ElementType(39); }
+ static const ElementType Nb() { return ElementType(40); }
+ static const ElementType Mo() { return ElementType(41); }
+ static const ElementType Tc() { return ElementType(42); }
+ static const ElementType Ru() { return ElementType(43); }
+ static const ElementType Rh() { return ElementType(44); }
+ static const ElementType Pd() { return ElementType(45); }
+ static const ElementType Ag() { return ElementType(46); }
+ static const ElementType Cd() { return ElementType(47); }
+ static const ElementType In() { return ElementType(48); }
+ static const ElementType Sn() { return ElementType(49); }
+ static const ElementType Sb() { return ElementType(50); }
+ static const ElementType Te() { return ElementType(51); }
+ static const ElementType I() { return ElementType(52); }
+ static const ElementType Xe() { return ElementType(53); }
+
+ static const ElementType Cs() { return ElementType(54); }
+ static const ElementType Ba() { return ElementType(55); }
+ static const ElementType La() { return ElementType(56); }
+
+ static const ElementType Ce() { return ElementType(57); }
+ static const ElementType Pr() { return ElementType(58); }
+ static const ElementType Nd() { return ElementType(59); }
+ static const ElementType Pm() { return ElementType(60); }
+ static const ElementType Sm() { return ElementType(61); }
+ static const ElementType Eu() { return ElementType(62); }
+ static const ElementType Gd() { return ElementType(63); }
+ static const ElementType Tb() { return ElementType(64); }
+ static const ElementType Dy() { return ElementType(65); }
+ static const ElementType Ho() { return ElementType(66); }
+ static const ElementType Er() { return ElementType(67); }
+ static const ElementType Tm() { return ElementType(68); }
+ static const ElementType Yb() { return ElementType(69); }
+ static const ElementType Lu() { return ElementType(70); }
+
+ static const ElementType Hf() { return ElementType(71); }
+ static const ElementType Ta() { return ElementType(72); }
+ static const ElementType W() { return ElementType(73); }
+ static const ElementType Re() { return ElementType(74); }
+ static const ElementType Os() { return ElementType(75); }
+ static const ElementType Ir() { return ElementType(76); }
+ static const ElementType Pt() { return ElementType(77); }
+ static const ElementType Au() { return ElementType(78); }
+ static const ElementType Hg() { return ElementType(79); }
+ static const ElementType Tl() { return ElementType(80); }
+ static const ElementType Pb() { return ElementType(81); }
+ static const ElementType Bi() { return ElementType(82); }
+ static const ElementType Po() { return ElementType(83); }
+ static const ElementType At() { return ElementType(84); }
+ static const ElementType Rn() { return ElementType(85); }
+
+ static const ElementType Fr() { return ElementType(86); }
+ static const ElementType Ra() { return ElementType(87); }
+ static const ElementType Ac() { return ElementType(88); }
+
+ static const ElementType Th() { return ElementType(89); }
+ static const ElementType Pa() { return ElementType(90); }
+ static const ElementType U() { return ElementType(91); }
+ static const ElementType Np() { return ElementType(92); }
+ static const ElementType Pu() { return ElementType(93); }
+ static const ElementType Am() { return ElementType(94); }
+ static const ElementType Cm() { return ElementType(95); }
+ static const ElementType Bk() { return ElementType(96); }
+ static const ElementType Cf() { return ElementType(97); }
+ static const ElementType Es() { return ElementType(98); }
+ static const ElementType Fm() { return ElementType(99); }
+ static const ElementType Md() { return ElementType(100); }
+ static const ElementType No() { return ElementType(101); }
+ static const ElementType Lr() { return ElementType(102); }
+
+ static const ElementType Rf() { return ElementType(103); }
+ static const ElementType Db() { return ElementType(104); }
+ static const ElementType Sg() { return ElementType(105); }
+ static const ElementType Bh() { return ElementType(106); }
+ static const ElementType Hs() { return ElementType(107); }
+ static const ElementType Mt() { return ElementType(108); }
+ static const ElementType Ds() { return ElementType(109); }
+ static const ElementType Rg() { return ElementType(110); }
+
+private:
+ ElementType(int t) : base_type(t) {}
+};
+
+} // namespace ELEMENTS
+
+namespace UTILITY {
+
+/// \brief A TypeIDTraits specialization for the
+/// BTK::ELEMENTS::ElementType type ID class.
+template <>
+struct TypeIDTraits<BTK::ELEMENTS::ElementType>
+{
+ static const bool dynamic = false;
+
+ static BTK::ELEMENTS::ElementType first()
+ { return BTK::ELEMENTS::ElementType::H(); }
+ static BTK::ELEMENTS::ElementType last()
+ { return BTK::ELEMENTS::ElementType::Rg(); }
+ static BTK::ELEMENTS::ElementType unknown()
+ { return BTK::ELEMENTS::ElementType::unknown(); }
+
+ static BTK::ELEMENTS::ElementType next(BTK::ELEMENTS::ElementType id)
+ { return unknown(); }
+};
+
+} // namespace UTILITY
+} // namespace BTK
+
+#endif
diff --git a/btk/core/io/cached_logger.cpp b/btk/core/io/cached_logger.cpp
new file mode 100644
index 0000000..46d222c
--- /dev/null
+++ b/btk/core/io/cached_logger.cpp
@@ -0,0 +1,45 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <iostream>
+#include <iterator>
+#include <algorithm>
+
+#include <btk/core/io/cached_logger.hpp>
+
+void
+BTK::IO::LOGGING::
+CachedLogger::log(std::string const & msg,
+ LoggerLevel level) const
+{
+ _messages.insert(std::pair<std::string,LoggerLevel>(msg,level));
+}
+
+void
+BTK::IO::LOGGING::
+CachedLogger::flush() const
+{
+ std::map<std::string,LoggerLevel>::const_iterator i, end = _messages.end();
+
+ // call the previous logger with each unique message
+ for (i = _messages.begin(); i != end; ++i) {
+ _previous_logger.log(i->first,i->second);
+ }
+}
diff --git a/btk/core/io/cached_logger.hpp b/btk/core/io/cached_logger.hpp
new file mode 100644
index 0000000..58180c0
--- /dev/null
+++ b/btk/core/io/cached_logger.hpp
@@ -0,0 +1,74 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file cached_logger.hpp
+/// Declaration of the CachedLogger class.
+
+#ifndef BTK_IO_CACHED_LOGGER_HPP
+#define BTK_IO_CACHED_LOGGER_HPP
+
+#include <map>
+#include <string>
+
+#include <btk/core/io/logger.hpp>
+
+namespace BTK {
+namespace IO {
+namespace LOGGING {
+
+/// \brief A Logger object that filters duplicate messages.
+/// A CachedLogger stores all incoming messages, and writes one
+/// copy of each identical message to the previous Logger object
+/// in the global stack when the CachedLogger is destroyed, or
+/// when the flush() method is invoked.
+class CachedLogger : public LoggerInterface
+{
+ public:
+ CachedLogger(LoggerInterface const & previous_logger) :
+ _previous_logger(previous_logger) {}
+
+ virtual ~CachedLogger() { flush(); }
+
+ /// \brief Write a log message.
+ /// This message will be cached and filtered for uniqueness.
+ /// For immediate output, use the Logger::error() method.
+ virtual void log(std::string const & msg,
+ LoggerLevel level) const;
+
+ virtual void error(std::string const & msg) const
+ {
+ _previous_logger.error(msg);
+ }
+
+ /// \brief Flush the message cache.
+ /// Writes every message in the message cache to the
+ /// previous Logger object in the stack.
+ void flush() const;
+
+ private:
+ LoggerInterface const & _previous_logger;
+ mutable std::map<std::string,LoggerLevel> _messages;
+};
+
+} // namespace LOGGING
+} // namespace IO
+} // namespace BTK
+
+#endif
diff --git a/btk/core/io/default_type_system.hpp b/btk/core/io/default_type_system.hpp
new file mode 100644
index 0000000..cb07af6
--- /dev/null
+++ b/btk/core/io/default_type_system.hpp
@@ -0,0 +1,84 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file default_type_system.hpp
+/// Declaration of the DefaultTypeSystem class.
+
+#ifndef BTK_IO_DEFAULT_TYPE_SYSTEM_HPP
+#define BTK_IO_DEFAULT_TYPE_SYSTEM_HPP
+
+#include <btk/core/io/type_system.hpp>
+#include <btk/core/io/type_system_proxy.hpp>
+#include <btk/core/elements/default_element_dictionary.hpp>
+#include <btk/core/atoms/default_atom_dictionary.hpp>
+#include <btk/core/molecules/default_monomer_dictionary.hpp>
+#include <btk/core/molecules/default_structure_dictionary.hpp>
+
+namespace BTK {
+namespace IO {
+
+/// The default TypeSystem class for the BTK.
+///
+/// This class provides dynamic atom, monomer and structure typing, for
+/// use when the user does not specify a custom TypeSystem for their own
+/// code.
+///
+/// Because element types are constant, the DefaultTypeSystem
+/// uses the DefaultElementDictionary and ElementType objects for element
+/// type mapping. Atom, monomer and structure types are dynamic, however,
+/// and must be assigned by the user, or by the parser used to load a
+/// structure from a file (the PDBFileParser does this automatically).
+///
+/// In summary, the default dictionary and ID types are:
+///
+/// <table>
+/// <tr>
+/// <td>Dictionary Type</td> <td>ID Type</td>
+/// </tr>
+/// <tr>
+/// <td>BTK::ELEMENTS::DefaultElementDictionary</td>
+/// <td>BTK::ELEMENTS::ElementType</td>
+/// </tr>
+/// <tr>
+/// <td>BTK::ATOMS::DefaultAtomDictionary</td> <td>integer</td>
+/// </tr>
+/// <tr>
+/// <td>BTK::MOLECULES::DefaultMonomerDictionary</td> <td>integer</td>
+/// </tr>
+/// <tr>
+/// <td>BTK::MOLECULES::DefaultStructureDictionary</td> <td>integer</td>
+/// </tr>
+/// </table>
+///
+/// For efficiency, the DefaultTypeSystem is always stored by proxy,
+/// using the TypeSystemProxy class. This is generally what you want.
+/// However, if you need to make a deep copy of a DefaultTypeSystem,
+/// see the TypeSystemProxy::clone() method.
+typedef
+TypeSystemProxy<
+ TypeSystem<BTK::ELEMENTS::DefaultElementDictionary,
+ BTK::ATOMS::DefaultAtomDictionary,
+ BTK::MOLECULES::DefaultMonomerDictionary,
+ BTK::MOLECULES::DefaultStructureDictionary> > DefaultTypeSystem;
+
+} // namespace IO
+} // namespace BTK
+
+#endif
diff --git a/btk/core/io/dictionary.hpp b/btk/core/io/dictionary.hpp
new file mode 100644
index 0000000..d8071da
--- /dev/null
+++ b/btk/core/io/dictionary.hpp
@@ -0,0 +1,207 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file dictionary.hpp
+/// \brief Definition of the Dictionary class.
+
+#ifndef BTK_IO_DICTIONARY_HPP
+#define BTK_IO_DICTIONARY_HPP
+
+#include <cctype>
+#include <string>
+#include <vector>
+#include <map>
+
+#include <btk/core/common/debugging.hpp>
+#include <btk/core/utility/type_id_traits.hpp>
+
+namespace BTK {
+namespace IO {
+
+template <typename IDType>
+class Dictionary
+{
+ typedef std::map<IDType,std::string> data_map;
+ typedef std::map<std::string,typename data_map::iterator> symbol_index;
+
+public:
+ typedef Dictionary<IDType> self_type;
+
+ typedef IDType id_type;
+ typedef typename data_map::value_type value_type;
+ typedef typename data_map::const_iterator const_iterator;
+ typedef typename data_map::const_reverse_iterator const_reverse_iterator;
+
+ Dictionary(bool case_sensitive = true) :
+ _data(), _symbol_index(), _case_sensitive(case_sensitive) {}
+
+ Dictionary(self_type const & d) :
+ _data(d._data), _symbol_index(),
+ _case_sensitive(d._case_sensitive)
+ {
+ // data already copied; build the index.
+ for (typename data_map::iterator i = _data.begin();
+ i != _data.end(); ++i) {
+ update_index(i->second,i);
+ }
+ }
+
+ virtual ~Dictionary() {}
+
+ const_iterator begin() const { return _data.begin(); }
+ const_iterator end() const { return _data.end(); }
+
+ const_reverse_iterator rbegin() const { return _data.rbegin(); }
+ const_reverse_iterator rend() const { return _data.rend(); }
+
+ virtual const_iterator find(id_type id) const { return _data.find(id); }
+
+ virtual const_iterator find(std::string const & sym) const
+ {
+ typename symbol_index::const_iterator i;
+
+ if (!_case_sensitive) {
+ i = _symbol_index.find(make_upper_case(sym));
+ } else {
+ i = _symbol_index.find(sym);
+ }
+
+ if (i != _symbol_index.end()) {
+ return i->second;
+ }
+
+ return _data.end();
+ }
+
+ /// Get the type ID for a name, creating a new ID if necessary.
+ ///
+ /// Like find(), this method will attempt to find the type ID corresponding
+ /// to a name. Unlike find(), it will also attempt to add a new type ID to
+ /// the dictionary, if the initial search fails.
+ ///
+ /// Type IDs are added iff the type is dynamic (i.e., new type ID values can
+ /// be created), and the dictionary is mutable. Otherwise the unknown type
+ /// ID value (determined using BTK::UTILITY::TypeIDTraits) is returned.
+ id_type get_type(std::string const & name)
+ {
+ typedef BTK::UTILITY::TypeIDTraits<id_type> type_id_traits;
+ const_iterator i = find(name);
+
+ if (i == end()) { // name not found! try to add a new type.
+
+ // if this is a dynamic type, add a new type id
+ if (type_id_traits::dynamic) {
+ id_type new_id;
+
+ if (_data.empty()) {
+ // dictionary empty? use first type!
+ new_id = type_id_traits::first();
+ } else {
+ // get new id using generator function
+ // (the id after last defined id value)
+ new_id = type_id_traits::next(rbegin()->first);
+ }
+
+ if (insert(value_type(new_id,name))) {
+ // insert of new type succeeded -- return it
+ return new_id;
+ }
+ }
+
+ // if here, either the type ID wasn't dynamic, or the dictionary
+ // insert failed. Return unknown.
+ return type_id_traits::unknown();
+ }
+
+ // normal case: ID found. Return it.
+ return i->first;
+ }
+
+ virtual bool insert(value_type const & vt)
+ {
+ std::pair<typename data_map::iterator,bool> tmp;
+
+ if (!_case_sensitive) {
+ tmp = _data.insert(value_type(vt.first,
+ make_upper_case(vt.second)));
+ } else {
+ tmp = _data.insert(vt);
+ }
+
+ if (tmp.second) {
+ // insert succeeded, add to index.
+ if (!update_index(vt.second,tmp.first)) {
+ // index insert failed -- symbol already exists.
+ // remove entry from data and return failure
+ _data.erase(tmp.first);
+ return false;
+ }
+ } else return false; // insert failed
+
+ return true;
+ }
+
+ virtual bool add_alternate_symbol(id_type id,
+ std::string const & symbol)
+ {
+ typename data_map::iterator i = _data.find(id);
+ if (i == _data.end()) return false;
+
+ if (!_case_sensitive)
+ return update_index(make_upper_case(symbol),i);
+ else
+ return update_index(symbol,i);
+ }
+
+ virtual void clear() { _data.clear(); _symbol_index.clear(); }
+
+protected:
+
+ bool update_index(std::string const & s,
+ typename data_map::iterator i)
+ {
+ typedef typename symbol_index::value_type vt;
+
+ if (!_case_sensitive)
+ return _symbol_index.insert(vt(make_upper_case(s),i)).second;
+ else
+ return _symbol_index.insert(vt(s,i)).second;
+ }
+
+ std::string make_upper_case(std::string const & s) const
+ {
+ std::string tmp(s);
+
+ for (std::string::iterator i = tmp.begin(); i != tmp.end(); ++i)
+ *i = std::toupper(*i);
+
+ return tmp;
+ }
+
+private:
+ data_map _data;
+ symbol_index _symbol_index;
+ bool _case_sensitive;
+};
+
+} // IO
+} // BTK
+
+#endif
diff --git a/btk/core/io/filter_logger.hpp b/btk/core/io/filter_logger.hpp
new file mode 100644
index 0000000..29437d5
--- /dev/null
+++ b/btk/core/io/filter_logger.hpp
@@ -0,0 +1,60 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_IO_LOGGING_FILTER_LOGGER_HPP
+#define BTK_IO_LOGGING_FILTER_LOGGER_HPP
+
+#include <btk/core/io/logger.hpp>
+
+namespace BTK {
+namespace IO {
+namespace LOGGING {
+
+/// \brief A logger that filters for specific message types.
+/// This class examines the LoggerLevel of each incoming message,
+/// and passes on only those that match a given LoggerLevel mask.
+class FilterLogger : public LoggerInterface
+{
+public:
+ FilterLogger(LoggerLevel accept_mask,
+ LoggerInterface & base_logger) :
+ _mask(accept_mask), _base_logger(base_logger) {}
+
+ virtual void log(std::string const & msg,
+ LoggerLevel msg_level) const
+ {
+ if (msg_level & _mask) _base_logger.log(msg,msg_level);
+ }
+
+ virtual void error(std::string const & msg) const
+ {
+ _base_logger.error(msg);
+ }
+
+private:
+ LoggerLevel _mask;
+ LoggerInterface & _base_logger;
+};
+
+} // LOGGING
+} // IO
+} // BTK
+
+#endif //BTK_IO_LOGGING_FILTER_LOGGER_HPP
diff --git a/btk/core/io/logger.cpp b/btk/core/io/logger.cpp
new file mode 100644
index 0000000..eca53db
--- /dev/null
+++ b/btk/core/io/logger.cpp
@@ -0,0 +1,51 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <iostream>
+
+#include <btk/core/io/logger.hpp>
+
+namespace LOGGING = BTK::IO::LOGGING;
+
+void
+LOGGING::SimpleLogger::log(std::string const & msg,
+ LoggerLevel msg_level) const
+{
+ std::cerr << msg;
+}
+
+void
+LOGGING::SimpleLogger::error(std::string const & msg) const
+{
+ std::cerr << msg;
+ std::cerr.flush();
+}
+
+std::stack<LOGGING::Logger::logger_ptr>
+LOGGING::Logger::_loggers;
+
+LOGGING::LoggerInterface const &
+LOGGING::Logger::instance()
+{
+ if (_loggers.empty())
+ _loggers.push(logger_ptr(new SimpleLogger()));
+
+ return *(_loggers.top());
+}
diff --git a/btk/core/io/logger.hpp b/btk/core/io/logger.hpp
new file mode 100644
index 0000000..0aa832f
--- /dev/null
+++ b/btk/core/io/logger.hpp
@@ -0,0 +1,114 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file logger.hpp
+/// Declaration of the Logger class.
+
+#ifndef BTK_IO_LOGGER_HPP
+#define BTK_IO_LOGGER_HPP
+
+#include <string>
+#include <stack>
+
+#include <boost/shared_ptr.hpp>
+
+#include <btk/core/io/logger_level.hpp>
+
+namespace BTK {
+namespace IO {
+namespace LOGGING {
+
+/// \brief An abstract base class specifying the interface for
+/// all BTK Logger objects.
+struct LoggerInterface
+{
+ virtual ~LoggerInterface() {}
+
+ /// \brief Write a log message to a Logger.
+ /// A message passed to log may be cached or filtered as necessary.
+ /// If immediate output is desired, use the error() method.
+ virtual void log(std::string const & msg,
+ LoggerLevel msg_level = EVERYTHING) const = 0;
+
+ /// \brief Write an error to a Logger for immediate output.
+ /// A message passed to this method will be bypass all filtering/caching
+ /// mechanisms. Use judiciously.
+ virtual void error(std::string const & msg) const = 0;
+};
+
+class SimpleLogger : public LoggerInterface
+{
+public:
+ virtual void log(std::string const & msg,
+ LoggerLevel msg_level = EVERYTHING) const;
+
+ virtual void error(std::string const & msg) const;
+};
+
+/// \brief A class for managing all BTK-related logging and error output.
+///
+/// The Logger is actually an aggregate class, containing a stack of Logger
+/// objects, each exposing a log() and error() method. This class makes it
+/// possible to control all non-essential library output centrally, and thus
+/// allows library users to quickly and easily change the default
+/// logging/error-handling behaviour of the library.
+///
+/// To override default logging behaviour, push a new Logger object onto
+/// the stack, using the push_logger() method. Likewise, use the pop_logger()
+/// method to revert to an older logging behaviour.
+///
+class Logger
+{
+ public:
+ typedef boost::shared_ptr<LoggerInterface> logger_ptr;
+
+ virtual ~Logger() {}
+
+ /// \brief Get the current Logger object.
+ static LoggerInterface const & instance();
+
+ /// \brief Push a new Logger object onto the stack.
+ /// The pushed Logger object will become the new default Logger.
+ static void push_logger(logger_ptr p) { _loggers.push(p); }
+
+ /// \brief Pop the topmost Logger object from the stack.
+ /// After this call, the logging behaviour will be the behaviour of the next
+ /// Logger object in the stack, if any (and default behaviour, otherwise).
+ static void pop_logger()
+ {
+ if (!_loggers.empty()) _loggers.pop();
+ }
+
+ protected:
+ Logger() {}
+
+ private:
+ // disallow copy construction and assignment
+ Logger(Logger const &);
+ Logger & operator=(Logger const &);
+
+ static std::stack<logger_ptr> _loggers;
+};
+
+} // LOGGING
+} // IO
+} // BTK
+
+#endif // BTK_LOGGER_H
diff --git a/btk/core/io/logger_level.hpp b/btk/core/io/logger_level.hpp
new file mode 100644
index 0000000..0e66e36
--- /dev/null
+++ b/btk/core/io/logger_level.hpp
@@ -0,0 +1,124 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file logger_level.hpp
+/// Declaration of the LoggerLevel class.
+
+#ifndef BTK_IO_LOGGER_LEVEL_HPP
+#define BTK_IO_LOGGER_LEVEL_HPP
+
+namespace BTK {
+namespace IO {
+namespace LOGGING {
+
+/// \brief A bit-field class for identifying logger message types.
+///
+/// For now, you can specify message "level" (e.g. Warning
+/// versus Debug messages) flags and message "source" (where a message
+/// originates) flags. These flag sets occupy exclusive portions of the
+/// bit-field, so they are combined using the bitwise-and operator (&).
+/// Flags from the same set can be combined using the bitwise-or operator (|).
+/// For example, here is one correct (if verbose) way to specify a mask for all
+/// messages from the container framework:
+///
+/// LoggerLevel l = CONTAINERS & ALL_LEVELS;
+///
+/// or, if you wanted to capture warning or error messages from everything:
+///
+/// LoggerLevel l = (ERROR | WARNING) & ALL_SOURCES;
+///
+/// Of course, in these cases, it would be sufficient to omit the
+/// ALL_LEVELS and ALL_SOURCES flags, because these are implicit -- all of
+/// the message level flags imply an acceptance of all sources, and vice-versa.
+/// A more complicated example might look like this:
+///
+/// LoggerLevel l = (ERROR | WARNING) & (ATOMS | CONTAINERS);
+///
+/// which would accept all error and warning messages from the atom and
+/// container frameworks.
+///
+class LoggerLevel
+{
+ public:
+ /// \brief Default constructor produces a mask that accepts nothing.
+ LoggerLevel() : _lvl(0), _src(0) {}
+
+ /// \brief Construct from level and source bitmasks.
+ LoggerLevel(unsigned l,unsigned s) : _lvl(l), _src(s) {}
+
+ /// \brief Bitwise OR operator.
+ const LoggerLevel operator|(LoggerLevel const & rhs) const
+ {
+ return LoggerLevel((_lvl | rhs._lvl), (_src | rhs._src));
+ }
+
+ /// \brief Bitwise AND operator.
+ const LoggerLevel operator&(LoggerLevel const & rhs) const
+ {
+ return LoggerLevel((_lvl & rhs._lvl), (_src & rhs._src));
+ }
+
+ /// \brief Implicit conversion to boolean.
+ operator bool() const
+ {
+ return (static_cast<bool>(_lvl) && static_cast<bool>(_src));
+ }
+
+private:
+ unsigned _lvl;
+ unsigned _src;
+};
+
+const unsigned ALL(static_cast<unsigned>(-1));
+
+/// \group Message level constants.
+//@{
+static const LoggerLevel ERROR(1,ALL); ///< Error messages.
+static const LoggerLevel WARNING(2,ALL); ///< Warning messages.
+static const LoggerLevel TRACE(4,ALL); ///< Trace messages.
+static const LoggerLevel DEBUG(8,ALL); ///< Debugging messages.
+
+static const LoggerLevel ALL_LEVELS(ALL,ALL); ///< All message types.
+//@}
+
+/// \group Message source constants.
+//@{
+static const LoggerLevel ATOMS(ALL,1); ///< The atom framework.
+static const LoggerLevel CONTAINERS(ALL,2); ///< The container framework.
+static const LoggerLevel ITERATORS(ALL,4); ///< The iterator framework.
+static const LoggerLevel ALGORITHMS(ALL,8); ///< The BTK algorithms.
+static const LoggerLevel IO(ALL,16); ///< The input/output framework.
+static const LoggerLevel MATH(ALL,32); ///< The math framework.
+static const LoggerLevel UTILITY(ALL,64); ///< The utility framework.
+
+static const LoggerLevel ALL_SOURCES(ALL,ALL); ///< All message sources.
+//@}
+
+/// \brief Null LoggerLevel flag -- accept nothing.
+static const LoggerLevel NOTHING(0,0);
+
+/// \brief Universal LoggerLevel flag -- accept everything.
+static const LoggerLevel EVERYTHING(ALL,ALL);
+
+} // LOGGING
+} // IO
+} // BTK
+
+#endif
diff --git a/btk/core/io/logger_stream.hpp b/btk/core/io/logger_stream.hpp
new file mode 100644
index 0000000..4c34919
--- /dev/null
+++ b/btk/core/io/logger_stream.hpp
@@ -0,0 +1,84 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_IO_LOGGER_STREAM_HPP
+#define BTK_IO_LOGGER_STREAM_HPP
+
+#include <ostream>
+#include <sstream>
+#include <string>
+
+#include <btk/core/io/logger.hpp>
+
+namespace BTK {
+namespace IO {
+namespace LOGGING {
+
+template <typename CharType, typename TraitsType = std::char_traits<CharType> >
+ class LoggerStreambuf : public std::basic_stringbuf<CharType,TraitsType>
+{
+public:
+ typedef std::basic_stringbuf<CharType,TraitsType> base_buf;
+
+ LoggerStreambuf(LoggerInterface const & logger,
+ LoggerLevel level) :
+ _logger(logger), _log_level(level) {}
+
+ ~LoggerStreambuf()
+ {
+ sync();
+ }
+
+protected:
+
+ int sync()
+ {
+ _logger.log(base_buf::str(),_log_level);
+ base_buf::str(std::string());
+ return 0;
+ }
+
+private:
+ LoggerInterface const & _logger;
+ LoggerLevel _log_level;
+};
+
+template <typename CharType, typename TraitsType = std::char_traits<CharType> >
+class LoggerStream : public std::basic_ostream<CharType,TraitsType>
+{
+public:
+ typedef std::basic_ostream<CharType,TraitsType> base_stream;
+ typedef LoggerStreambuf<CharType,TraitsType> LoggerStreambuf;
+
+ LoggerStream(LoggerLevel level) :
+ base_stream(new LoggerStreambuf(Logger::instance(),level)) {}
+
+ LoggerStream(LoggerInterface const & logger,
+ LoggerLevel level) :
+ base_stream(new LoggerStreambuf(logger,level)) {}
+
+ ~LoggerStream() { delete base_stream::rdbuf(); }
+};
+
+} // namespace LOGGING
+} // namespace IO
+} // namespace BTK
+
+#endif
diff --git a/btk/core/io/logging.hpp b/btk/core/io/logging.hpp
new file mode 100644
index 0000000..b6dd798
--- /dev/null
+++ b/btk/core/io/logging.hpp
@@ -0,0 +1,55 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file logging.hpp
+/// A common include file for all BTK logging objects and methods.
+
+#ifndef BTK_IO_LOGGING_HPP
+#define BTK_IO_LOGGING_HPP
+
+#include <btk/core/config/btk_config.hpp>
+#include <btk/core/io/logger.hpp>
+#include <btk/core/io/logger_level.hpp>
+#include <btk/core/io/logger_stream.hpp>
+#include <btk/core/io/cached_logger.hpp>
+#include <btk/core/io/filter_logger.hpp>
+
+namespace BTK {
+namespace IO {
+namespace LOGGING {
+
+/// \brief A convenience function for writing log messages to the logger.
+inline void log_msg(std::string const & msg,
+ LoggerLevel msg_level = EVERYTHING)
+{
+ BTK::IO::LOGGING::Logger::instance().log(msg,msg_level);
+}
+
+/// \brief A convenience function for writing error messages to the logger.
+inline void error_msg(std::string const & msg)
+{
+ BTK::IO::LOGGING::Logger::instance().error(msg);
+}
+
+} // LOGGING
+} // IO
+} // BTK
+
+#endif
diff --git a/btk/core/io/pdb_file_parser.hpp b/btk/core/io/pdb_file_parser.hpp
new file mode 100644
index 0000000..a5aee61
--- /dev/null
+++ b/btk/core/io/pdb_file_parser.hpp
@@ -0,0 +1,765 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_PDB_FILE_PARSER_HPP
+#define BTK_PDB_FILE_PARSER_HPP
+
+#include <ios>
+#include <sstream>
+#include <fstream>
+#include <cctype>
+#include <string>
+#include <algorithm>
+
+#include <btk/core/math/btk_vector.hpp>
+#include <btk/core/common/exceptions.hpp>
+#include <btk/core/io/logging.hpp>
+#include <btk/core/io/default_type_system.hpp>
+
+namespace BTK {
+namespace EXCEPTIONS {
+
+//
+// Possible exception classes for PDBSystem class.
+//
+NEW_BTK_EXCEPTION_TYPE(BTKFileOpenFailure,BTKRuntimeError);
+NEW_BTK_EXCEPTION_TYPE(BTKFileReadFailure,BTKRuntimeError);
+NEW_BTK_EXCEPTION_TYPE(BTKCorruptPDBFile,BTKRuntimeError);
+
+} // namespace EXCEPTIONS
+
+namespace IO {
+
+using BTK::EXCEPTIONS::BTKInvalidArgument;
+using BTK::EXCEPTIONS::BTKFileOpenFailure;
+using BTK::EXCEPTIONS::BTKFileReadFailure;
+using BTK::EXCEPTIONS::BTKCorruptPDBFile;
+
+template <typename TypeSystem = DefaultTypeSystem>
+class PDBFileParser
+{
+public:
+ typedef TypeSystem type_system;
+
+ typedef typename type_system::element_dictionary element_dictionary;
+ typedef typename type_system::atom_dictionary atom_dictionary;
+ typedef typename type_system::monomer_dictionary monomer_dictionary;
+
+ typedef typename element_dictionary::id_type element_id_type;
+ typedef typename atom_dictionary::id_type atom_id_type;
+ typedef typename monomer_dictionary::id_type monomer_id_type;
+
+ /// \brief Default Constructor.
+ /// Does nothing.
+ PDBFileParser(type_system const & ts = type_system(),
+ bool use_dynamic_types = true) :
+ _dictionary(ts), _dynamic_types(true) {}
+
+ /// \brief Construct a PDBFileParser from a PDB file.
+ ///
+ /// \param filename The name of the PDB file.
+ /// \param which_model The number of the MODEL to parse (default = first).
+ /// \param ts The TypeSystem to use for identifying molecular types
+ /// (note: this object is always deep-copied).
+ /// \param use_dynamic_types If true, try to add new types to the TypeSystem
+ /// as they are identified in the PDB file (this is
+ /// only possible for dynamic types).
+ PDBFileParser(std::string const & filename,
+ int which_model = 0,
+ type_system const & ts = type_system(),
+ bool use_dynamic_types = true) :
+ _filename(filename), _cur_model(0), _dictionary(ts),
+ _dynamic_types(use_dynamic_types)
+ {
+ if (!open(filename,which_model)) {
+ BTK_THROW_MSG(BTKFileReadFailure,
+ "Couldn't find structure in PDB file");
+ }
+ }
+
+ /// Copy constructor
+ /// A new file stream is opened, and a seek performed
+ /// to find the current model. All other state data is copied.
+ PDBFileParser(PDBFileParser const & src) :
+ _filename(src._filename), _header(src._header), _cur_model(src._cur_model),
+ _dictionary(src._dictionary), _dynamic_types(src._dynamic_types)
+ {
+ open_file();
+
+ if (_cur_model > 0 && !find_model(_cur_model)) {
+ BTK_THROW_MSG(BTKFileReadFailure,
+ "Couldn't find requested model in PDB file");
+ }
+ }
+
+ virtual ~PDBFileParser() { close(); }
+
+ /// \brief Open a PDB file.
+ bool open(std::string filename,
+ int which_model = 0);
+
+ /// \brief Close the current PDB file.
+ void close()
+ {
+ _pdb_fs.close();
+ _pdb_fs.clear();
+ _cur_model = 0;
+ _cur_line = "";
+ }
+
+ /// \brief Get the PDB file header.
+ std::string const & get_header() const { return _header; }
+
+ /// \brief Get the file name.
+ std::string const & get_filename() const { return _filename; }
+
+ /// \brief Get the specified model from the PDB file.
+ template <typename PolymerSystemType>
+ bool get_model(int which,
+ PolymerSystemType & model_out,
+ bool load_hetatoms = true);
+
+ /// \brief Get the current model from the PDB file.
+ template <typename PolymerSystemType>
+ bool get_current_model(PolymerSystemType & model_out,
+ bool load_hetatoms = true)
+ {
+ return get_model(_cur_model,model_out,load_hetatoms);
+ }
+
+ /// \brief Get the next model from the PDB file.
+ template <typename PolymerSystemType>
+ bool get_next_model(PolymerSystemType & model_out,
+ bool load_hetatoms = true)
+ {
+ return get_model(_cur_model + 1,model_out,load_hetatoms);
+ }
+
+ /// \brief Get the TypeSystem used to parse the current PDB file.
+ type_system dictionary() {return _dictionary;}
+ type_system const dictionary() const { return _dictionary; }
+
+protected:
+
+ std::string eat_whitespace(std::string const & s) const;
+
+ void open_file();
+ void rewind_file();
+ void save_header();
+ bool find_model(int which);
+ bool find_next_atom(bool find_hetatoms);
+
+ template <typename AtomType>
+ AtomType parse_atom(std::string const & atom_record,
+ bool is_hetatom = false);
+
+
+ template <typename PolymerSystemType>
+ void parse_current_model(PolymerSystemType & model_out,
+ bool load_hetatoms);
+
+ template <typename AtomIterator, typename PolymerSystemType>
+ void save_hetatoms(AtomIterator het_begin, AtomIterator het_end,
+ PolymerSystemType & model_out);
+
+private:
+ std::string _filename;
+ std::ifstream _pdb_fs;
+ std::string _header;
+ int _cur_model;
+ std::string _cur_line;
+
+ type_system _dictionary;
+ const bool _dynamic_types;
+};
+
+} // namespace IO
+} // namespace BTK
+
+////////////////////////////////////////////////////////////////////////////////
+// Implementations
+////////////////////////////////////////////////////////////////////////////////
+
+template <typename TypeSystem>
+template <typename PolymerSystemType>
+bool
+BTK::IO::PDBFileParser<TypeSystem>::
+get_model(int which,
+ PolymerSystemType & model_out,
+ bool load_hetatoms)
+{
+ if (find_model(which)) {
+ parse_current_model(model_out,load_hetatoms);
+ return true;
+ } else
+ return false;
+}
+
+template <typename TypeSystem>
+bool
+BTK::IO::PDBFileParser<TypeSystem>::
+open(std::string filename,
+ int which_model)
+{
+ close();
+
+ open_file();
+ save_header();
+
+ if (!_pdb_fs) {
+ BTK_THROW_MSG(BTKFileReadFailure,"Couldn't read past PDB header");
+ }
+
+ // first, check what model we're in
+ if (_cur_line.substr(0,5) == "MODEL") {
+ _cur_model = std::atoi(_cur_line.substr(10).c_str());
+ }
+
+ // if the user requested a model, and it isn't the one we're in,
+ // we need to find the requested model.
+ if (which_model > 0 && _cur_model != which_model) {
+ if (!find_model(which_model)) return false;
+ }
+
+ return true;
+}
+
+template <typename TypeSystem>
+std::string
+BTK::IO::PDBFileParser<TypeSystem>::
+eat_whitespace(std::string const & s) const
+{
+ std::string tmp(s);
+
+ tmp.erase(std::remove_if(tmp.begin(),tmp.end(),
+ static_cast<int (*)(int)>(std::isspace)),
+ tmp.end());
+
+ return tmp;
+}
+
+template <typename TypeSystem>
+void
+BTK::IO::PDBFileParser<TypeSystem>::
+open_file()
+{
+ if (!_filename.empty()) {
+ _pdb_fs.open(_filename.c_str());
+
+ if (_pdb_fs.fail()) {
+ BTK_THROW(BTKFileOpenFailure);
+ }
+ } else {
+ BTK_THROW_MSG(BTKInvalidArgument,
+ "Empty filename passed to PDBFileParser");
+ }
+
+ _cur_model = 0;
+ _cur_line = "";
+}
+
+template <typename TypeSystem>
+void
+BTK::IO::PDBFileParser<TypeSystem>::
+rewind_file()
+{
+ _pdb_fs.clear();
+ _pdb_fs.seekg(0,std::ios::beg);
+ if (!_pdb_fs) {
+ BTK_THROW_MSG(BTKFileReadFailure,
+ "Rewind seek failed in rewind_file()");
+ }
+ _cur_model = 0;
+ _cur_line = "";
+}
+
+template <typename TypeSystem>
+void
+BTK::IO::PDBFileParser<TypeSystem>::
+save_header()
+{
+ // The strategy here is brain-dead, unfortunately.
+ // Until someone volunteers to write a full-fledged parser for all
+ // of the possible PDB header fields, we're taking an exclusionary
+ // stance: everything that *isn't* interesting, and is before the start
+ // of the first chain, is considered "header"
+
+ rewind_file();
+
+ if (!_pdb_fs) {
+ BTK_THROW_MSG(BTKFileReadFailure,
+ "Bad stream in parse_header()");
+ }
+
+ _header.clear();
+
+ while (getline(_pdb_fs,_cur_line)) {
+ if (_cur_line.substr(0,4) == "ATOM" ||
+ _cur_line.substr(0,6) == "HETATM" ||
+ _cur_line.substr(0,5) == "MODEL") return;
+
+ _header += _cur_line;
+ _header += '\n';
+ }
+
+ if (!_pdb_fs) {
+ BTK_THROW_MSG(BTKFileReadFailure,
+ "Reached EOF in parse_header()");
+ }
+}
+
+template <typename TypeSystem>
+bool
+BTK::IO::PDBFileParser<TypeSystem>::
+find_model(int which)
+{
+ // First, check the state of the stream, and
+ // rewind if necessary to find the requested model.
+
+ if (_pdb_fs.good()) {
+ // file stream good/readable
+ if (which == 0) {
+ rewind_file();
+ return find_next_atom(false);
+ } else if (which <= _cur_model) {
+ rewind_file();
+ }
+ } else if (_pdb_fs.eof()) {
+ // at end of file
+ rewind_file();
+ } else {
+ // bad stream!
+ BTK_THROW_MSG(BTKFileReadFailure,
+ "Bad stream in find_model()");
+ }
+
+ // Once here, we're guaranteed to be upstream of the requested model,
+ // and we need to seek forward to find it.
+ while (_pdb_fs.good()) {
+ // find the next MODEL entry
+ do {
+ if (_cur_line.substr(0,5) == "MODEL") break;
+ } while (getline(_pdb_fs,_cur_line));
+
+ if (_pdb_fs.eof()) {
+ // We've reached the file end w/o finding the model.
+ return false;
+ } else if (_pdb_fs.fail()) {
+ // bad stream -- read failure!
+ BTK_THROW(BTKFileReadFailure);
+ } else {
+ // found a model -- get the model number
+ int num = std::atoi(_cur_line.substr(10).c_str());
+
+ if (which == 0 || num == which) {
+ _cur_model = num;
+ return true;
+ }
+ }
+ }
+
+ // if here, we definitely haven't found the model.
+ return false;
+}
+
+template <typename TypeSystem>
+bool
+BTK::IO::PDBFileParser<TypeSystem>::
+find_next_atom(bool find_hetatoms)
+{
+ while (_cur_line.substr(0,4) != "ATOM" &&
+ (!find_hetatoms || _cur_line.substr(0,6) != "HETATM"))
+ {
+ getline(_pdb_fs,_cur_line);
+ if (!_pdb_fs) return false;
+ }
+
+ return true;
+}
+
+template <typename TypeSystem>
+template <typename AtomType>
+AtomType
+BTK::IO::PDBFileParser<TypeSystem>::
+parse_atom(std::string const & atom_record,
+ bool is_hetatom)
+{
+ using std::atoi;
+ using std::atof;
+ using std::string;
+
+ int atom_num = atoi(atom_record.substr(6,5).c_str());
+ int res_num = atoi(atom_record.substr(22,4).c_str());
+ string atom_name = eat_whitespace(atom_record.substr(12,4));
+ string res_name = eat_whitespace(atom_record.substr(17,3));
+ char alt_loc = atom_record[16];
+ char chain_id = atom_record[21];
+ char insert_code = atom_record[26];
+ BTK::MATH::BTKVector position(atof(atom_record.substr(30,8).c_str()),
+ atof(atom_record.substr(38,8).c_str()),
+ atof(atom_record.substr(46,8).c_str()));
+
+ monomer_id_type res_type =
+ _dictionary.get_monomer_dictionary().get_type(res_name);
+
+ if (res_type == BTK::UTILITY::TypeIDTraits<monomer_id_type>::unknown()) {
+ std::ostringstream msg;
+ msg << "Warning: unknown residue name " << res_name << " in PDB file.";
+ BTK::IO::LOGGING::log_msg(msg.str(),
+ BTK::IO::LOGGING::IO & BTK::IO::LOGGING::WARNING);
+ }
+
+ atom_id_type atom_type =
+ _dictionary.get_atom_dictionary().get_type(atom_name);
+
+ if (atom_type == BTK::UTILITY::TypeIDTraits<atom_id_type>::unknown()) {
+ std::ostringstream msg;
+ msg << "Warning: unknown atom name " << atom_name << " in PDB file.";
+ BTK::IO::LOGGING::log_msg(msg.str(),
+ BTK::IO::LOGGING::IO & BTK::IO::LOGGING::WARNING);
+ }
+
+ // Fields after columb 46 are often missing or corrupted
+ // (even though they are required), so we have to treat
+ // them as special cases.
+ double occupancy(0), b_factor(0);
+
+ if (atom_record.size() >= 60) {
+ occupancy = atof(atom_record.substr(54,6).c_str());
+ }
+
+ if (atom_record.size() >= 66) {
+ b_factor = atof(atom_record.substr(60,6).c_str());
+ }
+
+ string segment_id;
+
+ if (atom_record.size() >= 76) {
+ segment_id = eat_whitespace(atom_record.substr(72,4));
+ }
+
+ string element_name;
+ element_id_type element_type;
+
+ if (atom_record.size() >= 78 &&
+ (std::isalpha(atom_record[76]) || std::isalpha(atom_record[77]))) {
+ // well, i'll be damned...a well-formed element field!
+ element_name = eat_whitespace(atom_record.substr(76,2));
+ element_type = _dictionary.get_element_dictionary().get_type(element_name);
+ } else {
+ // No element field found in ATOM record.
+ // Attempt to deduce element type from atom name.
+
+ // these are obvious element types, but are hard to
+ // catch with the more general code below...
+ if (atom_name == "ZN" || atom_name == "MG" || atom_name == "SE") {
+ element_name = atom_name;
+ element_type = _dictionary.get_element_dictionary().get_type(atom_name);
+ } else if (is_hetatom && atom_name == "CA") {
+ // calcium is a bit difficult, because the same atom name
+ // is used for protein alpha carbons. So we'll only
+ // acknowledge it if it's a HETATM (the most likely use).
+ element_name = atom_name;
+ element_type = _dictionary.get_element_dictionary().get_type(atom_name);
+ } else {
+ // look for simple organic elements -- N, C, O, S, P, H
+ unsigned i = atom_name.find_first_of("NCHOSP");
+ element_name = atom_name.substr(i,1);
+
+ if (i != std::string::npos) {
+ element_type = _dictionary.get_element_dictionary().get_type(element_name);
+ }
+ }
+
+ if (element_type == BTK::UTILITY::TypeIDTraits<element_id_type>::unknown()) {
+ std::ostringstream msg;
+ msg << "Warning: uknown element name " << element_name << " found in PDB file.";
+ BTK::IO::LOGGING::log_msg(msg.str(),
+ BTK::IO::LOGGING::IO &
+ BTK::IO::LOGGING::WARNING);
+ }
+ }
+
+ string charge;
+
+ if (atom_record.size() >= 80) {
+ charge = eat_whitespace(atom_record.substr(78,2));
+ }
+
+ return AtomType(dictionary(),
+ is_hetatom,
+ atom_num,
+ atom_type,
+ alt_loc,
+ res_type,
+ chain_id,
+ res_num,
+ insert_code,
+ position,
+ occupancy,
+ b_factor,
+ segment_id,
+ element_type,
+ charge);
+}
+
+
+template <typename TypeSystem>
+template <typename PolymerSystemType>
+void
+BTK::IO::PDBFileParser<TypeSystem>::
+parse_current_model(PolymerSystemType & model_out,
+ bool load_hetatoms)
+{
+ typedef typename PolymerSystemType::atom_type AtomType;
+ typedef typename PolymerSystemType::monomer_type MonomerType;
+ typedef typename PolymerSystemType::chain_type PolymerType;
+ typedef typename PolymerSystemType::chain_iterator ChainIterator;
+
+ std::vector<AtomType> tmp_hetatoms, tmp_atoms;
+ bool must_find_endmdl = false;
+ bool found_endmdl = false;
+
+ // set a cached logger object, so that duplicate parse errors
+ // are filtered.
+ {
+ BTK::IO::LOGGING::Logger::logger_ptr
+ tmp(new BTK::IO::LOGGING::
+ CachedLogger(BTK::IO::LOGGING::
+ Logger::instance()));
+
+ BTK::IO::LOGGING::Logger::push_logger(tmp);
+ }
+
+ // before parsing, clear the system
+ model_out.clear();
+
+ // see if the first line is actually a MODEL record.
+ // if so, we know that we need to parse until we find an ENDMDL.
+ if (_cur_line.substr(0,5) == "MODEL") {
+ _cur_model = std::atoi(_cur_line.substr(10).c_str());
+ must_find_endmdl = true;
+ }
+
+ // find the first ATOM in the model
+ if (!find_next_atom(load_hetatoms)) {
+ BTK_THROW_MSG(BTKFileReadFailure,
+ "Couldn't find first atom in PDB model");
+ }
+
+ // get first chain id, res number and res name
+ bool found_ter = false;
+ char prev_chain_id = _cur_line[21];
+ std::string prev_res_name = eat_whitespace(_cur_line.substr(17,3));
+ unsigned prev_res_num = std::atoi(_cur_line.substr(22,4).c_str());
+
+ // add the first chain
+ ChainIterator cur_chain =
+ model_out.insert(model_out.system_begin(),PolymerType());
+ cur_chain->set_chain_id(_cur_line[21]);
+
+ // process each relevant line in the model.
+ // (right now, "relevant" lines are ATOMs, HETATMs, TERs, and ENDMDLs).
+ do {
+ if (_cur_line.substr(0,4) == "ATOM") {
+ bool add_new_residue = false;
+ bool add_new_chain = false;
+
+ // get res name and nunber from atom record
+ std::string res_name = eat_whitespace(_cur_line.substr(17,3));
+ unsigned res_num = std::atoi(_cur_line.substr(22,4).c_str());
+
+ if (_cur_line[21] == prev_chain_id) { // new atom in the current chain
+
+ if (res_num != prev_res_num) // residue number change
+ add_new_residue = true;
+ else if (res_name != prev_res_name) {
+ // res name change w/o res num change -- what the heck is going on?
+ std::ostringstream msg;
+ msg << "PDB res name change w/o res num change in "
+ << _cur_line.substr(0,11) << " (cur name="
+ << res_name << ", prev name=" << prev_res_name << ")";
+ BTK_THROW_MSG(BTKCorruptPDBFile,msg.str().c_str());
+ }
+
+ } else { // chain ID changed: new atom in a new chain
+
+ if (!found_ter) { // chain ID changed w/o a TER record
+ std::ostringstream msg;
+ msg << "Chain id changed from "
+ << prev_chain_id << " to " << _cur_line[21]
+ << " w/o a TER record.\n";
+ using namespace BTK::IO::LOGGING;
+ Logger::instance().log(msg.str(),WARNING & IO);
+ }
+
+ add_new_residue = true;
+ add_new_chain = true;
+ }
+
+ // handle addition of new residue to current chain
+ if (add_new_residue && tmp_atoms.size()) {
+ cur_chain->insert(cur_chain->polymer_end(),
+ MonomerType(tmp_atoms.begin(),
+ tmp_atoms.end(),
+ tmp_atoms.begin()->res_type(),
+ tmp_atoms.begin()->res_number()));
+
+ tmp_atoms.clear();
+ prev_res_name = res_name;
+ prev_res_num = res_num;
+ }
+
+ // handle addition of new chain
+ if (add_new_chain) {
+ cur_chain = model_out.insert(model_out.system_end(),PolymerType());
+ cur_chain->set_chain_id(_cur_line[21]);
+ prev_chain_id = _cur_line[21];
+ found_ter = false;
+ }
+
+ // Parse current atom
+ tmp_atoms.push_back(parse_atom<AtomType>(_cur_line));
+
+ } else if (_cur_line.substr(0,6) == "HETATM") {
+ // parse heterogen atom & save for later
+ if (!load_hetatoms) continue;
+
+ tmp_hetatoms.push_back(parse_atom<AtomType>(_cur_line,true));
+
+ } else if (_cur_line.substr(0,3) == "TER") {
+ // normal chain termination.
+ found_ter = true;
+
+ } else if (_cur_line.substr(0,6) == "ENDMDL") {
+ // normal model termination
+ found_endmdl = true;
+ break;
+ } else if (_cur_line.substr(0,3) == "END") {
+ // nothing for now
+ } else if (_cur_line.substr(0,6) == "CONECT") {
+ // nothing for now
+ } else if (_cur_line.size() > 0) {
+ std::ostringstream msg;
+ msg << "Unknown record type in pdb file : "
+ << _cur_line.substr(0,6) << '\n';
+
+ using namespace BTK::IO::LOGGING;
+ Logger::instance().log(msg.str(),WARNING & IO);
+ }
+ } while (getline(_pdb_fs,_cur_line));
+
+ // Add final monomer, if any.
+ if (tmp_atoms.size()) {
+ cur_chain->insert(cur_chain->polymer_end(),
+ MonomerType(tmp_atoms.begin(),
+ tmp_atoms.end(),
+ tmp_atoms.begin()->res_type(),
+ tmp_atoms.begin()->res_number()));
+ tmp_atoms.clear();
+ }
+
+ if (must_find_endmdl && !found_endmdl) {
+ using namespace BTK::IO::LOGGING;
+ Logger::instance().log("Reached end of PDB before finding ENDMDL record",
+ WARNING & IO);
+ }
+
+ if (load_hetatoms) save_hetatoms(tmp_hetatoms.begin(),
+ tmp_hetatoms.end(),
+ model_out);
+
+ // remove the cached logger
+ BTK::IO::LOGGING::Logger::pop_logger();
+}
+
+struct hetatom_compare {
+ template <typename AtomType>
+ bool operator()(AtomType const & a1,
+ AtomType const & a2) const
+ {
+ if (a1.chain_id() < a2.chain_id()) return true;
+ else if (a1.chain_id() == a2.chain_id()) {
+ if (a1.res_number() < a2.res_number()) return true;
+ else return false;
+ } else return false;
+ }
+};
+
+template <typename TypeSystem>
+template <typename AtomIterator, typename PolymerSystemType>
+void
+BTK::IO::PDBFileParser<TypeSystem>::
+save_hetatoms(AtomIterator het_begin, AtomIterator het_end,
+ PolymerSystemType & model_out)
+{
+ typedef typename PolymerSystemType::chain_type PolymerType;
+ typedef typename PolymerSystemType::monomer_type MonomerType;
+ typedef typename PolymerSystemType::chain_iterator ChainIterator;
+
+ if (het_begin == het_end) return;
+
+ // sort hetatoms into chain/residue groups.
+ std::stable_sort(het_begin,
+ het_end,
+ hetatom_compare());
+
+ AtomIterator i, j, end = het_end;
+ int prev_res_num;
+ char prev_chain_id;
+
+ // add first hetatom chain
+ ChainIterator cur_chain = model_out.insert(model_out.system_end(),
+ PolymerType());
+ cur_chain->set_chain_id(het_begin->chain_id());
+
+ prev_chain_id = het_begin->chain_id();
+ prev_res_num = het_begin->res_number();
+
+ // add hetatoms, adding monomers and chains as necessary.
+ for (i = het_begin, j = het_begin; j != end; ++j) {
+
+ // create a new monomer, if necessary
+ if (j->res_number() != prev_res_num) {
+ cur_chain->insert(cur_chain->polymer_end(),
+ MonomerType(i,j,i->res_type(),
+ i->res_number()));
+
+ prev_res_num = j->res_number();
+ i = j;
+ }
+
+ // create a new chain, if necessary
+ if (j->chain_id() != prev_chain_id) {
+ cur_chain = model_out.insert(model_out.system_end(),PolymerType());
+ cur_chain->set_chain_id(j->chain_id());
+
+ prev_chain_id = j->chain_id();
+ i = j; // just in case -- probably not necessary
+ }
+ }
+
+ // add the last hetatom monomer, if any.
+ if (i != j) cur_chain->insert(cur_chain->polymer_end(),
+ MonomerType(i,j,i->res_type(),
+ i->res_number()));
+}
+
+#endif // BTK_PDB_FILE_PARSER_HPP
diff --git a/btk/core/io/pdb_system.hpp b/btk/core/io/pdb_system.hpp
new file mode 100644
index 0000000..4257109
--- /dev/null
+++ b/btk/core/io/pdb_system.hpp
@@ -0,0 +1,166 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005-2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file pdb_system.hpp
+/// Declaration and definition of the PDBSystem class.
+
+#ifndef BTK_IO_PDB_SYSTEM_HPP
+#define BTK_IO_PDB_SYSTEM_HPP
+
+#include <btk/core/io/pdb_file_parser.hpp>
+#include <btk/core/molecules/system.hpp>
+
+namespace BTK {
+namespace IO {
+
+template <typename PolymerType,
+ typename ChemicalTypeSystemType =
+ typename PolymerType::chemical_type_system,
+ typename StorageStrategy = std::list<PolymerType> >
+class PDBSystem :
+ public BTK::MOLECULES::System<PolymerType,
+ ChemicalTypeSystemType,
+ StorageStrategy>
+{
+ typedef PDBSystem<PolymerType,
+ ChemicalTypeSystemType,
+ StorageStrategy> self_type;
+
+ typedef BTK::MOLECULES::System<PolymerType,
+ ChemicalTypeSystemType,
+ StorageStrategy> base_type;
+ public:
+ IMPORT_BTK_SYSTEM_TYPES(base_type);
+
+ //! \group Constructors to create PDBSystem objects from PDB files.
+ //! These constructors are unique to the PDBSystem class, and allow the
+ //! creation of a PDBSystem object directly from a PDB file.
+ //@{
+
+ //! \brief A model-aware constructor.
+ //! Creates a PDBSystem using the specified MODEL from a PDB file.
+ //! \param filename Name of PDB file to parse.
+ //! \param which_model The number of the MODEL to parse from the PDB file.
+ //! \param load_hetatoms If true, HETATM records are parsed as atoms.
+ //! If false, HETATM records are skipped.
+ //! \param dynamic_types If true, unknown atom types/names are added to the
+ //! specified type system. If the type system does not
+ //! support dynamic types, this option has no effect.
+ PDBSystem(std::string const & filename,
+ int which_model,
+ bool load_hetatoms = true,
+ bool dynamic_types = true,
+ chemical_type_system const & cts = chemical_type_system()) :
+ base_type(cts),
+ _file_parser(filename,which_model,cts,dynamic_types)
+ {
+ _file_parser.get_model(which_model,*this,load_hetatoms);
+ }
+
+ ///\brief Construct from a PDB file.
+ /// Creates a PDBSystem from the specified PDB file.
+ /// \param filename Name of PDB file to parse.
+ /// \param load_hetatoms If true, HETATM records are parsed as atoms.
+ /// If false, HETATM records are skipped.
+ /// \param dynamic_types If true, unknown atom types/names are added to the
+ /// specified type system. If the type system does not
+ /// support dynamic types, this option has no effect.
+ PDBSystem(std::string const & filename,
+ bool load_hetatoms = true,
+ bool dynamic_types = true,
+ chemical_type_system const & cts = chemical_type_system()) :
+ base_type(cts),
+ _file_parser(filename,0,cts,dynamic_types)
+ {
+ _file_parser.get_current_model(*this,load_hetatoms);
+ }
+ //@}
+
+ ///\group Constructors required by the STL Sequence concept.
+ /// Because no PDB file is specified with these constructors, subsequent
+ /// calls to get_model() and get_next_model() will fail, unless a call
+ /// is made to open().
+ //@{
+
+ /// \brief Create a PDBSystem from 0 or more Chain objects.
+ PDBSystem(size_type n = 0,
+ const_reference t = chain_type()) :
+ base_type(n,t) {}
+
+ /// \brief Create a PDBSystem from a range of Chain objects.
+ template <typename ChainIterator>
+ PDBSystem(ChainIterator begin,
+ ChainIterator end) :
+ base_type(begin,end) {}
+ //@}
+
+ /// \brief Copy a PDBSystem object.
+ PDBSystem(PDBSystem const & src) :
+ base_type(src), _file_parser(src._file_parser) {}
+
+ /// \brief Destructor.
+ virtual ~PDBSystem()
+ {
+ }
+
+ /// \brief Open a new PDB file.
+ /// Any previously loaded structures will be destroyed.
+ bool open(std::string filename,
+ int which_model = 0)
+ {
+ return _file_parser.open(filename,which_model);
+ }
+
+ /// \brief Close the current PDB file.
+ /// Structures in memory are unaffected.
+ void close()
+ {
+ _file_parser.close();
+ }
+
+ /// \brief Get the current PDB file header.
+ std::string const & header() const { return _file_parser.get_header(); }
+
+ /// \brief Get the current PDB file name.
+ std::string const & filename() const { return _file_parser.get_filename(); }
+
+ /// \brief Get a MODEL from the current PDB file.
+ /// Any previously loaded structures/models will be destroyed.
+ bool get_model(int which,
+ bool load_hetatoms = true)
+ {
+ return _file_parser.get_model(which,*this,load_hetatoms);
+ }
+
+ /// \brief Get the next model from the current PDB file.
+ /// Any previously loaded structures/models will be destroyed.
+ bool get_next_model(bool load_hetatoms = true)
+ {
+ return _file_parser.get_next_model(*this,load_hetatoms);
+ }
+
+private:
+ PDBFileParser<chemical_type_system> _file_parser;
+};
+
+} // namespace IO
+} // namespace BTK
+
+#endif
diff --git a/btk/core/io/type_system.hpp b/btk/core/io/type_system.hpp
new file mode 100644
index 0000000..b95ce8e
--- /dev/null
+++ b/btk/core/io/type_system.hpp
@@ -0,0 +1,97 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file type_system.hpp
+/// \brief Definition of the TypeSystem class.
+
+#ifndef BTK_IO_TYPE_SYSTEM_HPP
+#define BTK_IO_TYPE_SYSTEM_HPP
+
+namespace BTK {
+namespace IO {
+
+/// \brief A class for representing a self-consistent set of molecular types.
+///
+/// A TypeSystem is a class that stores a set of molecular types that
+/// are self-consistent for a particular problem. For example, if your
+/// problem requires a set of types that are specific to protein molecules,
+/// you might create a ProteinTypeSystem, with atom, monomer and structure
+/// types defined for proteins. The Atom class is parameterized with
+/// a TypeSystem, allowing for compile-time type safety for these
+/// fundamental molecular types.
+///
+/// More abstractly, TypeSystem classes are envisioned as the general
+/// solution to the problem of representing application-specific molecular
+/// types. Force-fields such as CHARMM and AMBER have their own
+/// self-consistent sets of atom, monomer and molecule types -- a TypeSystem
+/// class would be the correct way to represent these concepts in the BTK.
+///
+template <typename ElementDictionaryType,
+ typename AtomDictionaryType,
+ typename MonomerDictionaryType,
+ typename StructureDictionaryType>
+class TypeSystem
+{
+public:
+ typedef ElementDictionaryType element_dictionary;
+ typedef AtomDictionaryType atom_dictionary;
+ typedef MonomerDictionaryType monomer_dictionary;
+ typedef StructureDictionaryType structure_dictionary;
+
+ typedef typename element_dictionary::id_type element_id_type;
+ typedef typename atom_dictionary::id_type atom_id_type;
+ typedef typename monomer_dictionary::id_type monomer_id_type;
+ typedef typename structure_dictionary::id_type structure_id_type;
+
+ typedef TypeSystem<element_dictionary,
+ atom_dictionary,
+ monomer_dictionary,
+ structure_dictionary> self_type;
+
+ TypeSystem() {}
+ TypeSystem(element_dictionary const & ed,
+ atom_dictionary const & ad,
+ monomer_dictionary const & md,
+ structure_dictionary const & sd) :
+ _ed(ed), _ad(ad), _md(md), _sd(sd) {}
+
+ virtual ~TypeSystem() {}
+
+ element_dictionary & get_element_dictionary() { return _ed; }
+ atom_dictionary & get_atom_dictionary() { return _ad; }
+ monomer_dictionary & get_monomer_dictionary() { return _md; }
+ structure_dictionary & get_structure_dictionary() { return _sd; }
+
+ element_dictionary const & get_element_dictionary() const { return _ed; }
+ atom_dictionary const & get_atom_dictionary() const { return _ad; }
+ monomer_dictionary const & get_monomer_dictionary() const { return _md; }
+ structure_dictionary const & get_structure_dictionary() const { return _sd; }
+
+private:
+ element_dictionary _ed;
+ atom_dictionary _ad;
+ monomer_dictionary _md;
+ structure_dictionary _sd;
+};
+
+} // namespace IO
+} // namespace BTK
+
+#endif
diff --git a/btk/core/io/type_system_proxy.hpp b/btk/core/io/type_system_proxy.hpp
new file mode 100644
index 0000000..60e407c
--- /dev/null
+++ b/btk/core/io/type_system_proxy.hpp
@@ -0,0 +1,133 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file type_system_proxy.hpp
+/// \brief Definition of the TypeSystemProxy class.
+
+#ifndef BTK_IO_TYPE_SYSTEM_PROXY_HPP
+#define BTK_IO_TYPE_SYSTEM_PROXY_HPP
+
+#include <boost/shared_ptr.hpp>
+
+namespace BTK {
+namespace IO {
+
+/// A class for representing TypeSystem objects by reference.
+///
+/// This class differs from a simple reference in two ways:
+/// <ul>
+/// <li> It exposes a complete TypeSystem interface</li>
+/// <li> It can be default constructed.</li>
+/// </ul>
+///
+/// These properties allow it to be used in objects that must be
+/// default constructible (e.g. BTK::ATOMS::Atom), while still appearing
+/// as a normal TypeSystem object. Any object compliant with the
+/// TypeSystemConcept can be proxied by this class.
+///
+/// Internally, the proxied TypeSystem is stored via a reference-counted
+/// pointer. You are therefore guaranteed that a proxied TypeSystem will
+/// not be deallocated until the last proxy referring to the TypeSystem is
+/// destroyed.
+///
+template <typename TS>
+class TypeSystemProxy
+{
+public:
+ typedef TS type_system;
+ typedef TypeSystemProxy<type_system> self_type;
+
+ /// \name TypeSystem type definitions.
+ //@{
+ typedef typename type_system::element_dictionary element_dictionary;
+ typedef typename type_system::atom_dictionary atom_dictionary;
+ typedef typename type_system::monomer_dictionary monomer_dictionary;
+ typedef typename type_system::structure_dictionary structure_dictionary;
+
+ typedef typename element_dictionary::id_type element_id_type;
+ typedef typename atom_dictionary::id_type atom_id_type;
+ typedef typename monomer_dictionary::id_type monomer_id_type;
+ typedef typename structure_dictionary::id_type structure_id_type;
+ //@}
+
+ /// Default constructor.
+ /// A new TypeSystem is created.
+ TypeSystemProxy() :
+ _ptr(new type_system()) {}
+
+ /// Copy constructor.
+ /// A new proxy is created, referring to the same TypeSystem held in
+ /// the src proxy.
+ TypeSystemProxy(self_type const & src) :
+ _ptr(src._ptr) {}
+
+ /// Construct from a TypeSystem instance.
+ /// The source TypeSystem is copied, and this copy is used to create a
+ /// new TypeSystemProxy. Thus, changes to the original TypeSystem will
+ /// not be reflected in the proxy object.
+ TypeSystemProxy(type_system const & ts) :
+ _ptr(new type_system(ts)) {}
+
+ /// \name TypeSystem interface methods.
+ //@{
+ element_dictionary & get_element_dictionary()
+ { return _ptr->get_element_dictionary(); }
+ atom_dictionary & get_atom_dictionary()
+ { return _ptr->get_atom_dictionary(); }
+ monomer_dictionary & get_monomer_dictionary()
+ { return _ptr->get_monomer_dictionary(); }
+ structure_dictionary & get_structure_dictionary()
+ { return _ptr->get_structure_dictionary(); }
+
+
+ element_dictionary const & get_element_dictionary() const
+ { return _ptr->get_element_dictionary(); }
+ atom_dictionary const & get_atom_dictionary() const
+ { return _ptr->get_atom_dictionary(); }
+ monomer_dictionary const & get_monomer_dictionary() const
+ { return _ptr->get_monomer_dictionary(); }
+ structure_dictionary const & get_structure_dictionary() const
+ { return _ptr->get_structure_dictionary(); }
+ //@}
+
+ /// Deep-copy the proxied TypeSystem object.
+ self_type clone() const
+ {
+ return self_type(*_ptr);
+ }
+
+ bool operator==(self_type const & rhs) const
+ {
+ return _ptr == rhs._ptr;
+ }
+
+ bool operator!=(self_type const & rhs) const
+ {
+ return _ptr != rhs._ptr;
+ }
+
+private:
+ boost::shared_ptr<type_system> _ptr;
+};
+
+} // namespace IO
+} // namespace BTK
+
+#endif
diff --git a/btk/core/math/btk_matrix.hpp b/btk/core/math/btk_matrix.hpp
new file mode 100644
index 0000000..ae2baf4
--- /dev/null
+++ b/btk/core/math/btk_matrix.hpp
@@ -0,0 +1,93 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2004-2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of'
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file btk_matrix.hpp
+//! \brief Declaration of the BTKMatrix class.
+
+#ifndef BTK_MATH_BTK_MATRIX_HPP
+#define BTK_MATH_BTK_MATRIX_HPP
+
+#include <ostream>
+
+#include <boost/numeric/ublas/matrix.hpp>
+#include <boost/numeric/ublas/matrix_proxy.hpp>
+#include <boost/numeric/ublas/io.hpp>
+
+#include <btk/core/math/common_functions.hpp>
+
+namespace uBLAS = boost::numeric::ublas;
+
+namespace BTK {
+namespace MATH {
+
+class BTKMatrix : public uBLAS::matrix<double>
+{
+ public:
+ typedef uBLAS::matrix<double> base_matrix;
+
+ //! \brief Default constructor.
+ BTKMatrix(size_type x = 3, size_type y = 3) : base_matrix(x,y) {}
+
+ //! \brief Construct a matrix with a default value.
+ BTKMatrix(size_type x, size_type y, double val) : base_matrix(x,y)
+ {
+ for (size_type i = 0; i < x; ++i)
+ for (size_type j = 0; j < y; ++j)
+ this->operator()(i,j) = val;
+ }
+
+ //! \brief Copy constructor.
+ BTKMatrix(BTKMatrix const & src) : base_matrix(src) {}
+
+ //! \brief Constrution from a uBLAS matrix expression.
+ template <class E>
+ BTKMatrix(uBLAS::matrix_expression<E> const & e) : base_matrix(e) {}
+
+ virtual ~BTKMatrix() {}
+
+ //! \brief Assignment from a uBLAS matrix expression.
+ template <class E>
+ BTKMatrix & operator=(uBLAS::matrix_expression<E> const & e) {
+ base_matrix::assign(e);
+ return *this;
+ }
+
+ //! \brief Equality comparison.
+ bool operator==(BTKMatrix const & rhs) const {
+ base_matrix::size_type x,y;
+ for (x = 0; x < 3; ++x) {
+ for (y = 0; y < 3; ++y) {
+ if (!BTK::MATH::equivalent(this->operator()(x,y),rhs(x,y)))
+ return false;
+ }
+ }
+ return true;
+ }
+
+ //! \brief Inequality comparison.
+ bool operator!=(BTKMatrix const & rhs) const {
+ return !(*this == rhs);
+ }
+};
+
+} // namespace MATH
+} // namespace BTK
+
+#endif // BTK_MATH_BTK_MATRIX_HPP
diff --git a/btk/core/math/btk_vector.hpp b/btk/core/math/btk_vector.hpp
new file mode 100644
index 0000000..8a5d5bb
--- /dev/null
+++ b/btk/core/math/btk_vector.hpp
@@ -0,0 +1,99 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2004, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of'
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file btk_vector.hpp
+//! \brief Declaration of the BTKVector class.
+
+#ifndef BTK_MATH_BTK_VECTOR_HPP
+#define BTK_MATH_BTK_VECTOR_HPP
+
+#include <ostream>
+
+#include <boost/numeric/ublas/vector.hpp>
+#include <boost/numeric/ublas/io.hpp>
+
+#include <btk/core/math/common_functions.hpp>
+
+namespace uBLAS = boost::numeric::ublas;
+
+namespace BTK {
+namespace MATH {
+
+class BTKVector : public uBLAS::vector<double, uBLAS::bounded_array<double,3> >
+{
+ public:
+ typedef uBLAS::vector<double, uBLAS::bounded_array<double,3> > base_vector;
+
+ //! \brief Default constructor.
+ BTKVector() : base_vector(3) {}
+
+ //! \brief Construct with a default value.
+ BTKVector(double val) : base_vector(3)
+ {
+ this->operator[](0) = val;
+ this->operator[](1) = val;
+ this->operator[](2) = val;
+ }
+
+ //! \brief Copy constructor.
+ BTKVector(BTKVector const & src) : base_vector(src) {}
+
+ //! \brief Coordinate constructor.
+ BTKVector(double x, double y, double z) : base_vector(3) {
+ this->operator[](0) = x;
+ this->operator[](1) = y;
+ this->operator[](2) = z;
+ }
+
+ //! \brief Construction from a uBLAS vector expression.
+ template <class E>
+ BTKVector(uBLAS::vector_expression<E> const & e) : base_vector(e) {}
+
+ virtual ~BTKVector() {}
+
+ //! \brief Assignment from a uBLAS vector expression.
+ template <class E>
+ BTKVector & operator=(uBLAS::vector_expression<E> const & e) {
+ base_vector::operator=(e);
+ return *this;
+ }
+
+ //! Assignment from another BTKVector.
+ BTKVector & operator=(BTKVector const & rhs) {
+ base_vector::operator=(static_cast<base_vector>(rhs));
+ return *this;
+ }
+
+ bool operator==(BTKVector const & rhs) const {
+ return (BTK::MATH::equivalent(this->operator[](0),rhs[0]) &&
+ BTK::MATH::equivalent(this->operator[](1),rhs[1]) &&
+ BTK::MATH::equivalent(this->operator[](2),rhs[2]));
+ }
+
+ bool operator!=(BTKVector const & rhs) const {
+ return !(*this == rhs);
+ }
+
+};
+
+} // namespace MATH
+} // namespace BTK
+
+#endif // BTK_MATH_BTK_VECTOR_HPP
diff --git a/btk/core/math/common_functions.hpp b/btk/core/math/common_functions.hpp
new file mode 100644
index 0000000..8d23b2b
--- /dev/null
+++ b/btk/core/math/common_functions.hpp
@@ -0,0 +1,76 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of'
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file common_functions.hpp
+/// \brief Simple, commonly-used math routines.
+
+#ifndef BTK_MATH_COMMON_FUNCTIONS_HPP
+#define BTK_MATH_COMMON_FUNCTIONS_HPP
+
+#include <cmath>
+
+#include <btk/core/math/constants.hpp>
+
+namespace BTK {
+namespace MATH {
+
+/// \brief Square a value.
+template <typename T>
+inline T square(T val) { return val * val; }
+
+/// \brief Cube a value.
+template <typename T>
+inline T cube(T val) { return val * val * val; }
+
+template <typename T>
+inline bool equivalent(T x, T y, T precision)
+{
+ return std::fabs(x - y) <= precision * std::fabs(x);
+}
+
+template <typename T>
+bool equivalent(T x, T y);
+
+template <>
+inline bool equivalent(float x, float y)
+{
+ return equivalent(x,y,FLOAT_EPSILON);
+}
+
+template <>
+inline bool equivalent(double x, double y)
+{
+ return equivalent(x,y,DOUBLE_EPSILON);
+}
+
+inline double deg2rad(double angle_in_degrees)
+{
+ return RADIANS_PER_DEGREE*angle_in_degrees;
+}
+
+inline double rad2deg(double angle_in_radians)
+{
+ return DEGREES_PER_RADIAN*angle_in_radians;
+}
+
+} // MATH
+} // BTK
+
+#endif // BTK_MATH_COMMON_FUNCTIONS_HPP
diff --git a/btk/core/math/constants.hpp b/btk/core/math/constants.hpp
new file mode 100644
index 0000000..bd303a5
--- /dev/null
+++ b/btk/core/math/constants.hpp
@@ -0,0 +1,46 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2004-2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of'
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file constants.hpp
+//! \brief Math constants and related routines.
+
+#ifndef BTK_MATH_CONSTANTS_HPP
+#define BTK_MATH_CONSTANTS_HPP
+
+#include <limits>
+
+namespace BTK {
+namespace MATH {
+
+/// \group MathConst Mathematical Constants.
+//@{
+static const double PI = 3.1415926535897323;
+static const double RADIANS_PER_DEGREE = PI/180.0;
+static const double DEGREES_PER_RADIAN = 180.0/PI;
+
+//! \brief Smallest double-precision value e, where x + e != x.
+static const double DOUBLE_EPSILON(std::numeric_limits<double>::epsilon());
+static const float FLOAT_EPSILON(std::numeric_limits<float>::epsilon());
+//@}
+
+} // namespace MATH
+} // namespace BTK
+
+#endif
diff --git a/btk/core/math/linear_algebra.cpp b/btk/core/math/linear_algebra.cpp
new file mode 100644
index 0000000..9403318
--- /dev/null
+++ b/btk/core/math/linear_algebra.cpp
@@ -0,0 +1,149 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2001-2006, Tim Robertson <kid50 at users.sourceforge.net>,
+// Chris Saunders <ctsa at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+//
+
+#include <iostream>
+#include <limits>
+
+#include <btk/core/math/linear_algebra.hpp>
+
+using namespace std;
+using namespace BTK;
+using namespace BTK::MATH;
+
+double
+BTK::MATH::
+point_dihedral(BTKVector const & a,
+ BTKVector const & b,
+ BTKVector const & c,
+ BTKVector const & d)
+{
+ BTKVector ba(a-b);
+ BTKVector bc(c-b);
+ BTKVector cd(d-c);
+ return vector_dihedral(ba,bc,cd);
+}
+
+bool
+BTK::MATH::
+within_sqr_dist(BTKVector const & a,
+ BTKVector const & b,
+ double r_squared)
+{
+ double sum,diff;
+
+ diff=a[0]-b[0];
+ sum=diff*diff;
+ if(sum > r_squared) // If the x distance is already too big, we can avoid
+ return false; // unecessary calculations.
+ diff=a[1]-b[1];
+ sum+=diff*diff;
+ if(sum > r_squared) // If the x+y distance is too big...
+ return false;
+ diff=a[2]-b[2];
+ sum+=diff*diff;
+ if(sum > r_squared)
+ return false;
+
+ return true;
+}
+
+BTKVector
+BTK::MATH::
+set_vector_from_dihedral(BTKVector const & v3,
+ BTKVector const & v2,
+ BTKVector const & v1,
+ double len34,
+ double ang234,
+ double dih1234)
+{
+ // 1) build rhand coordinate axes such that z || v3-v2 and y || z X v1-v2
+ // note that the assignment of the y axis checks against v3-v2||v1-v2
+ BTKVector z(v3-v2);
+ normalize(z);
+
+ BTKVector y(v1-v2);
+ y = cross(z,y);
+ normalize(y);
+
+ BTKVector x(cross(y,z));
+
+ // 2) find unit vector of v4-v3, and determine position of v4
+ return v3+( len34 *
+ ( ( x * cos(dih1234) + y * sin(dih1234) ) * sin(ang234) - z * cos(ang234) ));
+}
+
+
+//
+//
+BTKVector
+BTK::MATH::
+set_vector_from_two_angles(BTKVector const & v3,
+ BTKVector const & v2,
+ BTKVector const & v1,
+ double len34,
+ double ang234,
+ double ang134)
+{
+ // Chris Saunders - 4-2004
+ // Build vector from two angles w/o explicit rotation:
+ //
+ // start with a convenient rh coordinate system:
+ // y || v2-v3
+ // z || cross(v1-v3,y)
+ // x || cross(y,z)
+ //
+
+ BTKVector y(v2-v3);
+ normalize(y);
+
+ // need v1-v3 unit vector later:
+ BTKVector v13_unit( v1-v3 );
+ normalize( v13_unit );
+
+ BTKVector z( cross(v13_unit,y) );
+ normalize(z);
+
+ BTKVector x( cross(y,z) );
+
+ // solve for the projection of the v43 unit vector onto each axis:
+ //
+
+ // dot(v43_unit,v23_unit) = v43_para_v23 = v43_unit_y
+ //
+ double v43_unit_y = cos(ang234);
+
+ // dot(v43_unit,v13_unit) = v43_para_v13
+ // so.. v43_unit_y*v13_unit_y + v43_unit_x*v13_unit_x = v43_para_v13
+ // and solve for v43_unit_x:
+ //
+ double v43_unit_x = ( cos(ang134) - v43_unit_y*inner_prod(v13_unit,y) ) / inner_prod(v13_unit,x);
+
+ // The two possible z solutions are resolved by always selecting the
+ // positive z and instructing the function caller to order v1 and v2
+ // appropriately:
+ //
+ double v43_unit_z = std::sqrt( 1.0 - (v43_unit_x*v43_unit_x) - (v43_unit_y*v43_unit_y) );
+
+ BTKVector v43( len34 * (v43_unit_x*x + v43_unit_y*y + v43_unit_z*z) );
+
+ return v43 + v3;
+}
diff --git a/btk/core/math/linear_algebra.hpp b/btk/core/math/linear_algebra.hpp
new file mode 100644
index 0000000..efe709b
--- /dev/null
+++ b/btk/core/math/linear_algebra.hpp
@@ -0,0 +1,140 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2001-2006, Tim Robertson <kid50 at users.sourceforge.net>,
+// Chris Saunders <ctsa at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of'
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file linear_algebra.hpp
+//! \brief vector geometry and linear algebra routines.
+//!
+
+#ifndef BTK_MATH_LINEAR_ALGEBRA_HPP
+#define BTK_MATH_LINEAR_ALGEBRA_HPP
+
+#include <cmath>
+#include <iosfwd>
+#include <vector>
+
+#include <boost/numeric/ublas/symmetric.hpp>
+
+#include <btk/core/math/constants.hpp>
+#include <btk/core/math/btk_vector.hpp>
+#include <btk/core/math/btk_matrix.hpp>
+#include <btk/core/math/vector_math.hpp>
+
+namespace uBLAS = boost::numeric::ublas;
+
+namespace BTK {
+namespace MATH {
+
+/**
+ * @name Vector and Matrix types.
+ * The BTK* types are typedefs to appropriate classes
+ * in the Boost::ublas linear algebra library. Using these
+ * types in the BTK makes it easier to write/read linear algebra code,
+ * and easier to switch the code to other linear algebra systems
+ * (should that ever become necessary).
+ */
+//@{
+typedef uBLAS::symmetric_matrix<double> BTKSymmetricMatrix;
+//@}
+
+/**
+ * See if two vectors are within a squared distance threshold of one another.
+ * @param a BTKVector 1
+ * @param b BTKVector 2
+ * @param r_squared Squared distance threshold.
+ * @return true if vector 1 and 2 are within sqrt(r_squared) units of one another.
+ */
+bool
+within_sqr_dist(BTKVector const & a,
+ BTKVector const & b,
+ double r_squared);
+
+/// calculate the angle formed by v1-v2 amd v3-v2
+inline
+double
+point_angle(BTKVector const & v1,
+ BTKVector const & v2,
+ BTKVector const & v3){
+ return vector_angle(v1-v2,v3-v2);
+}
+
+
+/**
+ * Calculate the dihedral angle between the planes a-b-c and
+ * d-c-b. This offers a more conventional "four point" access to
+ * the dihedral function.
+ */
+double
+point_dihedral(BTKVector const & a,
+ BTKVector const & b,
+ BTKVector const & c,
+ BTKVector const & d);
+
+/// \brief calculate vector position from a dihedral angle
+///
+/// Calculates the position of a vector from 3 other atoms
+/// that define a a dihedral angle with the build vector
+///
+/// \param len34 distance between v3 and v4
+/// \param ang234 angle formed by v2 - v3 and v4 - v3
+/// \param dih1234 dihedral angle between v4 - v3 and v1 - v2
+/// along the axis formed by v3 - v2
+///
+/// \return v4, the vector built from vectors v1,v2 and v3
+///
+BTKVector
+set_vector_from_dihedral(BTKVector const & v3,
+ BTKVector const & v2,
+ BTKVector const & v1,
+ double len34,
+ double ang234,
+ double dih1234);
+
+/// \brief Calculate vector position from two vector angles
+///
+/// Calculates the position of a point, v4, using three other points,
+/// v1,v2,v3, given two vector angles (angle(v4-v3,v2-v3) &
+/// angle(v4-v3,v1-v3)), and a vector length ( |v4-v3| ), assuming a
+/// right-handed relationship between v1-v3,v2-v3 and v4-v3 (see
+/// below)
+///
+/// Submit the vectors in order such that the three vectors v1-v3,
+/// v2-v3 and v4-v3, form a right-handed system, ie. so that
+/// dot(v4-v3,cross(v1-v3,v2-v3)) is a positive number, if you have a
+/// left-handed arrangment, then swap the arguments v2 and v1 (and the
+/// corresponding angle arguments ang234 and ang134 )
+///
+/// \param len34 | v4-v3 |
+/// \param ang234 vector angle between v2-v3 and v4-v3
+/// \param ang134 vector angle between v1-v3 and v4-v3
+///
+BTKVector
+set_vector_from_two_angles(BTKVector const & v3,
+ BTKVector const & v2,
+ BTKVector const & v1,
+ double len34,
+ double ang234,
+ double ang134);
+
+
+} // namespace MATH
+} // namespace BTK
+
+#endif // BTK_LINEAR_ALGEBRA_H
diff --git a/btk/core/math/rotation.cpp b/btk/core/math/rotation.cpp
new file mode 100644
index 0000000..13c2800
--- /dev/null
+++ b/btk/core/math/rotation.cpp
@@ -0,0 +1,97 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005-2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+//
+
+#include <btk/core/math/rotation.hpp>
+#include <btk/core/math/linear_algebra.hpp>
+
+using namespace BTK::MATH;
+
+// Initialize rotation matrix for rotation around an axis
+void
+BTK::MATH::
+initialize_rotation_matrix(BTKVector const & axis,
+ double theta,
+ BTKMatrix & rm)
+{
+ // Form of the rotation matrix taken from Graphics Gems (Glassner, 1990)
+ BTKVector normalized_axis(axis / uBLAS::norm_2(axis));
+ double c = cos(theta);
+ double s = sin(theta);
+ double t = 1 - c;
+ double txy = t * normalized_axis[0] * normalized_axis[1];
+ double txz = t * normalized_axis[0] * normalized_axis[2];
+ double tyz = t * normalized_axis[1] * normalized_axis[2];
+ double sx = s * normalized_axis[0];
+ double sy = s * normalized_axis[1];
+ double sz = s * normalized_axis[2];
+ double tx2 = t * normalized_axis[0] * normalized_axis[0];
+ double ty2 = t * normalized_axis[1] * normalized_axis[1];
+ double tz2 = t * normalized_axis[2] * normalized_axis[2];
+
+ // row 1
+ rm(0,0) = tx2 + c;
+ rm(0,1) = txy - sz;
+ rm(0,2) = txz + sy;
+
+ // row 2
+ rm(1,0) = txy + sz;
+ rm(1,1) = ty2 + c;
+ rm(1,2) = tyz - sx;
+
+ // row 3
+ rm(2,0) = txz - sy;
+ rm(2,1) = tyz + sx;
+ rm(2,2) = tz2 + c;
+}
+
+
+// Initialize rotation matrix for rotation using Euler angles
+void
+BTK::MATH::
+initialize_rotation_matrix(double phi,
+ double theta,
+ double psi,
+ BTKMatrix & rm)
+{
+ double cphi = cos(phi), ctheta = cos(theta), cpsi = cos(psi);
+ double sphi = sin(phi), stheta = sin(theta), spsi = sin(psi);
+ double ctheta_spsi = ctheta * spsi;
+ double ctheta_cpsi = ctheta * cpsi;
+
+ // this matrix should be the same as the one in the mathematica
+ // documentation. double-check against that if something seems
+ // wrong.
+
+ // row 1
+ rm(0,0) = cpsi * cphi - sphi * ctheta_spsi;
+ rm(0,1) = cpsi * sphi + cphi * ctheta_spsi;
+ rm(0,2) = spsi * stheta;
+
+ // row 2
+ rm(1,0) = -spsi * cphi - sphi * ctheta_cpsi;
+ rm(1,1) = -spsi * sphi + cphi * ctheta_cpsi;
+ rm(1,2) = cpsi * stheta;
+
+ // row 3
+ rm(2,0) = stheta * sphi;
+ rm(2,1) = -stheta * cphi;
+ rm(2,2) = ctheta;
+}
diff --git a/btk/core/math/rotation.hpp b/btk/core/math/rotation.hpp
new file mode 100644
index 0000000..dd26e02
--- /dev/null
+++ b/btk/core/math/rotation.hpp
@@ -0,0 +1,115 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005-2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of'
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file rotation.hpp
+//! \brief rigid body rotation routines.
+
+#ifndef BTK_MATH_ROTATION_HPP
+#define BTK_MATH_ROTATION_HPP
+
+#include <btk/core/math/btk_vector.hpp>
+#include <btk/core/math/btk_matrix.hpp>
+
+namespace BTK {
+namespace MATH {
+
+/// \defgroup AxisRotation Axis rotation matrices
+/// \brief Methods for 3D rotation about an axis or vector.
+///
+/// These methods allow the rotation of objects around a vector
+/// or axis in 3D space. All angles are specified in radians, unless
+/// otherwise noted.
+
+/// \brief Initialize a pre-existing rotation matrix for rotation about an axis.
+/// \ingroup AxisRotation
+///
+/// Given an axis of rotation (expressed as a vector), and an angle of
+/// rotation (in radians) about that axis, intialize a rotation matrix.
+/// For methods to apply rotations to atoms and molecules, see
+/// \ref AtomTransforms
+void
+initialize_rotation_matrix(BTKVector const & axis,
+ double theta,
+ BTKMatrix & rm);
+
+/// \brief Create a rotation matrix for a rotation about an axis.
+/// \ingroup AxisRotation
+///
+/// Given an axis of rotation (expressed as a vector), and an angle of
+/// rotation (in radians) about that axis, intialize a rotation matrix.
+/// For methods to apply rotations to atoms and molecules, see
+/// \ref AtomTransforms
+inline
+BTKMatrix
+create_rotation_matrix(BTKVector const & axis,
+ double theta)
+ {
+ BTKMatrix tmp;
+ initialize_rotation_matrix(axis,theta,tmp);
+ return tmp;
+ }
+
+/// \defgroup EulerRotation Euler angle rotation matrices
+/// \brief Methods for rigid-body 3D rotation using Euler angles.
+///
+/// <b>Warning: Euler angles are library-specific!</b> There are several
+/// commonly used conventions for defining Euler rotations, and therefore
+/// rotations are not always transferable between software packages.
+///
+/// The BTK provides the ability to create a rotation from Euler angles,
+/// assuming the 'X convention':
+///
+/// <ul>
+/// <li>phi - first rotation, around the Z axis.</li>
+/// <li>theta - second rotation, around the X axis
+/// (in the range \f$[0,\pi]\f$).</li>
+/// <li>psi - third rotation, around Z axis.</li>
+/// </ul>
+///
+/// These are the conventions used in Mathematica, in case you're
+/// partial to that package. They may not be the same as whatever other
+/// package you're using, however, so beware!
+
+
+/// \brief Initialize a pre-existing rotation matrix using Euler angles.
+/// \ingroup EulerRotation
+void
+initialize_rotation_matrix(double phi,
+ double theta,
+ double psi,
+ BTKMatrix & rm);
+
+/// \brief Create a new rotation matrix using Euler angles.
+/// \ingroup EulerRotation
+inline
+BTKMatrix
+create_rotation_matrix(double phi,
+ double theta,
+ double psi)
+{
+ BTKMatrix tmp;
+ initialize_rotation_matrix(phi,theta,psi,tmp);
+ return tmp;
+}
+
+} // namespace MATH
+} // namespace BTK
+
+#endif // BTK_MATH_ROTATION_HPP
diff --git a/btk/core/math/vector_math.cpp b/btk/core/math/vector_math.cpp
new file mode 100644
index 0000000..3fe0d3e
--- /dev/null
+++ b/btk/core/math/vector_math.cpp
@@ -0,0 +1,74 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005-2006, Tim Robertson <kid50 at users.sourceforge.net>,
+// Chris Saunders <ctsa at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of'
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <btk/core/math/vector_math.hpp>
+
+using namespace BTK::MATH;
+
+BTKVector
+BTK::MATH::
+project_normal(BTKVector const & a,
+ BTKVector const & b)
+{
+ BTKVector pr(b), out(a);
+ normalize(pr);
+
+ // pr is the projection of a onto r
+ pr *= inner_prod(a,pr);
+
+ // subtract the projection onto r from the original vector.
+ // this yields the component normal to r.
+ out -= pr;
+
+ return out;
+}
+
+BTKVector
+BTK::MATH::
+project(BTKVector const & a,
+ BTKVector const & b)
+{
+ BTKVector pr(b);
+ normalize(pr);
+
+ // pr is the projection of a onto r.
+ pr *= inner_prod(a,pr);
+
+ return pr;
+}
+
+// ctsa - note that this function used to be inlined, but it caused
+// nasty core-dumps with g++ version 2.96 built w/ flags: -O2 -DNDEBUG
+double
+BTK::MATH::
+vector_dihedral(BTKVector const & v1,
+ BTKVector const & v2,
+ BTKVector const & v3)
+{
+ // create a coordinate system where v2 is the z-axis.
+ BTKVector yaxis = cross(v2,v1);
+ BTKVector xaxis = cross(yaxis,v2);
+
+ normalize(yaxis);
+ normalize(xaxis);
+
+ return atan2(prec_inner_prod(v3,yaxis),prec_inner_prod(v3,xaxis));
+}
diff --git a/btk/core/math/vector_math.hpp b/btk/core/math/vector_math.hpp
new file mode 100644
index 0000000..17affcc
--- /dev/null
+++ b/btk/core/math/vector_math.hpp
@@ -0,0 +1,115 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005-2006, Tim Robertson <kid50 at users.sourceforge.net>,
+// Chris Saunders <ctsa at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of'
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file vector_math.hpp
+/// \brief Basic 3D vector manipulations.
+
+#ifndef BTK_MATH_VECTOR_MATH_HPP
+#define BTK_MATH_VECTOR_MATH_HPP
+
+#include <cmath>
+
+#include <btk/core/math/btk_vector.hpp>
+
+namespace BTK {
+namespace MATH {
+
+/// \group VectorMath 3D Vector Math Routines
+//@{
+
+/// \brief Normalize a vector to unit length.
+/// This function normalizes the input vector.
+inline
+BTKVector &
+normalize(BTKVector & v)
+{
+ v /= norm_2(v);
+ return v;
+}
+
+/// \brief Get the length of a vector (aka, the l2 norm or euclidean norm).
+/// Warning: if you're calling this function from a multi-calculation
+/// expression, you might want to directly call uBLAS::norm_2()
+/// instead, for efficiency reasons.
+///
+inline double length(BTKVector const & v) { return norm_2(v); }
+
+/// \brief Compute the cross product of two 3D vectors.
+inline
+BTKVector
+cross(BTKVector const & lhs,
+ BTKVector const & rhs)
+{
+ BTKVector temp;
+
+ temp[0] = lhs[1] * rhs[2] - lhs[2] * rhs[1];
+ temp[1] = lhs[2] * rhs[0] - lhs[0] * rhs[2];
+ temp[2] = lhs[0] * rhs[1] - lhs[1] * rhs[0];
+
+ return temp;
+}
+
+/// \brief Project vector a onto vector b.
+/// Get the component of vector a that is parallel to vector b.
+BTKVector
+project(BTKVector const & a,
+ BTKVector const & b);
+
+/// \brief Project the component of vector a that is normal to vector b.
+/// Get the component of a that is perpendicular to b.
+BTKVector
+project_normal(BTKVector const & a,
+ BTKVector const & b);
+
+/// \brief Calculate the cosine of the angle between two vectors.
+inline
+double
+cosine_vector_angle(BTKVector const & v1,
+ BTKVector const & v2)
+{
+ return (prec_inner_prod(v1,v2) / (norm_2(v1) * norm_2(v2)));
+}
+
+/// \brief Calculate the angle between two vectors.
+inline
+double
+vector_angle(BTKVector const & v1,
+ BTKVector const & v2)
+{
+ return acos(cosine_vector_angle(v1,v2));
+}
+
+/**
+ * Calculate the dihedral angle formed by three vectors.
+ * The dihedral angle is the angle formed between v1 and v3,
+ * about vector v2.
+ */
+double
+vector_dihedral(BTKVector const & v1,
+ BTKVector const & v2,
+ BTKVector const & v3);
+
+//@}
+
+} // namespace MATH
+} // namespace BTK
+
+#endif // BTK_VECTOR_MATH_H
diff --git a/btk/core/molecules/atomic_structure.hpp b/btk/core/molecules/atomic_structure.hpp
new file mode 100644
index 0000000..c426d45
--- /dev/null
+++ b/btk/core/molecules/atomic_structure.hpp
@@ -0,0 +1,254 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file atomic_structure.hpp
+//! \brief definition of AtomicStructure base class.
+
+#ifndef BTK_MOLECULES_ATOMIC_STRUCTURE_HPP
+#define BTK_MOLECULES_ATOMIC_STRUCTURE_HPP
+
+#include <vector>
+#include <ostream>
+#include <algorithm>
+#include <iterator>
+
+#include <btk/core/utility/btk_sequence.hpp>
+#include <btk/core/utility/chemically_typed_object.hpp>
+#include <btk/core/concepts/atom_concept.hpp>
+#include <btk/core/concepts/atom_iterator_concept.hpp>
+
+namespace BTK {
+namespace MOLECULES {
+
+
+//! A class for representing atomic structures.
+//!
+//! AtomicStructure is a base class for all atom-based molecules in
+//! the BTK. It is an STL Bidirectional Container of atom objects
+//! (i.e. objects that conform to the AtomConcept), and as such, does
+//! not support the direct insertion or deletion of atoms, but does
+//! support atom iteration, assignment, equality comparison and other
+//! methods required by the Bidirectional Container concept.
+//!
+//! This class is a model of the AtomicStructureConcept.
+//!
+template <typename AtomType,
+ typename ChemicalTypeSystemType,
+ typename DictionaryType,
+ typename StorageStrategy = std::vector<AtomType> >
+class AtomicStructure :
+ public BTK::UTILITY::ChemicallyTypedObject<ChemicalTypeSystemType,
+ DictionaryType>,
+ protected BTK::UTILITY::BTKSequence<AtomType,StorageStrategy>
+{
+ typedef BTK::UTILITY::ChemicallyTypedObject<ChemicalTypeSystemType,
+ DictionaryType> cto_type;
+ typedef BTK::UTILITY::BTKSequence<AtomType,StorageStrategy> btk_seq_type;
+ typedef AtomicStructure<AtomType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy> self_type;
+public:
+ IMPORT_CHEMICALLY_TYPED_OBJECT_TYPES(cto_type);
+ IMPORT_BTK_CONTAINER_TYPES(btk_seq_type);
+
+ typedef value_type atom_type;
+ typedef iterator atom_iterator;
+ typedef const_iterator const_atom_iterator;
+ typedef reverse_iterator reverse_atom_iterator;
+ typedef const_reverse_iterator const_reverse_atom_iterator;
+ typedef id_type structure_id_type;
+ typedef typename atom_type::id_type atom_id_type;
+
+ BOOST_CLASS_REQUIRE(atom_type,BTK::CONCEPTS,AtomConcept);
+ BOOST_CLASS_REQUIRE(iterator,BTK::CONCEPTS,MutableAtomIteratorConcept);
+ BOOST_CLASS_REQUIRE(reverse_iterator,BTK::CONCEPTS,MutableAtomIteratorConcept);
+ BOOST_CLASS_REQUIRE(const_iterator,BTK::CONCEPTS,AtomIteratorConcept);
+ BOOST_CLASS_REQUIRE(const_reverse_iterator,BTK::CONCEPTS,AtomIteratorConcept);
+
+ AtomicStructure(self_type const & source) :
+ cto_type(source), btk_seq_type(source) {}
+
+ virtual ~AtomicStructure() {}
+
+ IMPORT_BTK_CONTAINER_METHODS(btk_seq_type)
+
+ //! Get the size of an AtomicStructure, in atoms.
+ size_type num_atoms() const { return btk_seq_type::size(); }
+
+ //@{
+ //! \brief Beginning of atom range.
+ atom_iterator structure_begin() { return btk_seq_type::begin(); }
+ const_atom_iterator structure_begin() const { return btk_seq_type::begin(); }
+ //@}
+
+ //@{
+ //! \brief Beginning of reversed atom range.
+ reverse_atom_iterator structure_rbegin() { return btk_seq_type::rbegin(); }
+ const_reverse_atom_iterator structure_rbegin() const
+ { return btk_seq_type::rbegin(); }
+ //@}
+
+ //@{
+ //! \brief End of atom range.
+ atom_iterator structure_end() { return btk_seq_type::end(); }
+ const_atom_iterator structure_end() const { return btk_seq_type::end(); }
+ //@}
+
+ //@{
+ //! \brief End of reversed atom range.
+ reverse_atom_iterator structure_rend() { return btk_seq_type::rend(); }
+ const_reverse_atom_iterator structure_rend() const { return btk_seq_type::rend(); }
+ //@}
+
+ using cto_type::type;
+ using cto_type::name;
+ using cto_type::get_chemical_type_system;
+
+ //! Set the TypeSystem object associated with this AtomicStructure.
+ virtual void set_chemical_type_system(chemical_type_system const & cts)
+ {
+ // call base implementation
+ cto_type::set_chemical_type_system(cts);
+
+ // set the type systems of every atom
+ for (atom_iterator ai = structure_begin(); ai != structure_end(); ++ai)
+ ai->set_chemical_type_system(cts);
+ }
+
+ //! Print an AtomicStructure to a stream.
+ //! \deprecated
+ //! \todo Simplify the stream output system. See Atom for details.
+ virtual std::ostream & print(std::ostream & os,
+ size_type first_atom_num = 1,
+ size_type group_num = 1,
+ char chain_id = ' ') const
+ {
+ const_atom_iterator ai;
+ size_type atom_num = first_atom_num;
+ size_type group = group_num;
+
+ for (ai = structure_begin(); ai != structure_end(); ++ai)
+ ai->print(os,atom_num++,
+ group,chain_id,
+ name());
+
+ return os;
+ }
+
+ virtual dictionary const & get_dictionary() const = 0;
+ virtual dictionary & get_dictionary() = 0;
+
+protected:
+
+ //! Constructors used to implement derived classes.
+ //@{
+ AtomicStructure(size_type n = 0,
+ const_reference t = value_type(),
+ id_type type = id_type()) :
+ cto_type(t.get_chemical_type_system(),type), btk_seq_type(n,t) {}
+
+ template <typename AtomIterator>
+ AtomicStructure(AtomIterator i, AtomIterator j,
+ id_type type = id_type()) :
+ cto_type(i->get_chemical_type_system(),type), btk_seq_type(i,j)
+ {
+ boost::function_requires<BTK::CONCEPTS::AtomIteratorConcept<AtomIterator> >();
+
+ // The atoms in the range passed to this constructor must be convertible
+ // to the atom_type of the class! If you get a compile error here,
+ // it probably means that you're trying to construct some kind of
+ // AtomicStructure using an atom type that is incompatible with the
+ // atom type of the class (a different TypeSystem, for example).
+ typedef typename std::iterator_traits<AtomIterator>::value_type a_t;
+ boost::function_requires<boost::ConvertibleConcept<a_t,atom_type> >();
+ }
+ //@}
+
+ using cto_type::set_type;
+
+ //! Assignment operator.
+ //! The contents of this AtomicStructure are replaced with those of rhs.
+ self_type const & operator=(self_type const & rhs)
+ {
+ if (this == &rhs) return *this;
+ cto_type::operator=(rhs);
+ btk_seq_type::operator=(rhs);
+ return *this;
+ }
+
+ //! Swap method.
+ //! Swaps this AtomicStructure with another.
+ void swap(self_type & b)
+ {
+ cto_type::swap(b);
+ btk_seq_type::swap(b);
+ }
+
+ //! Equality comparison.
+ //! Two AtomicStructures are equivalent iff their types are equivalent,
+ //! and all of their contained atoms are equivalent.
+ //@{
+ bool operator==(self_type const & rhs) const {
+ return (cto_type::operator==(rhs) && btk_seq_type::operator==(rhs));
+ }
+
+ bool operator!=(self_type const & rhs) const {
+ return !(operator==(rhs));
+ }
+ //@}
+
+ //! Less-than comparision.
+ //! AtomicStructure A is less than AtomicStructure B if the type of
+ //! A is less than the type of B, or if the types of A and B are equal, and
+ //! the atoms of A are less than B using lexicographical ordering rules.
+ bool operator<(self_type const & rhs) const {
+ if (cto_type::operator<(rhs))
+ return true;
+ else if (cto_type::operator==(rhs))
+ return btk_seq_type::operator<(rhs);
+ else
+ return false;
+ }
+};
+
+#define IMPORT_ATOMIC_STRUCTURE_TYPES(ASType) \
+ IMPORT_CHEMICALLY_TYPED_OBJECT_TYPES(ASType) \
+ IMPORT_BTK_CONTAINER_TYPES(ASType) \
+ \
+ typedef typename ASType::atom_type atom_type; \
+ typedef typename ASType::atom_iterator atom_iterator; \
+ typedef typename ASType::const_atom_iterator const_atom_iterator; \
+ typedef typename ASType::reverse_atom_iterator reverse_atom_iterator; \
+ typedef typename ASType::const_reverse_atom_iterator \
+ const_reverse_atom_iterator; \
+ typedef typename ASType::structure_id_type structure_id_type; \
+ typedef typename ASType::atom_id_type atom_id_type;
+
+template <typename AT, typename CTO, typename DICT, typename SS>
+std::ostream & operator<<(std::ostream & os, AtomicStructure<AT,CTO,DICT,SS> const & a)
+{
+ return a.print(os);
+}
+
+} // namespace MOLECULES
+} // namespace BTK
+
+#endif
diff --git a/btk/core/molecules/chain.hpp b/btk/core/molecules/chain.hpp
new file mode 100644
index 0000000..c74a4ad
--- /dev/null
+++ b/btk/core/molecules/chain.hpp
@@ -0,0 +1,146 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file chain.hpp
+/// Definition of the Chain class.
+
+#ifndef BTK_MOLECULES_CHAIN_HPP
+#define BTK_MOLECULES_CHAIN_HPP
+
+#include <btk/core/molecules/atomic_structure.hpp>
+
+namespace BTK {
+namespace MOLECULES {
+
+template <typename AtomType,
+ typename ChemicalTypeSystemType,
+ typename DictionaryType,
+ typename StorageStrategy = std::vector<AtomType> >
+class Chain :
+ public AtomicStructure<AtomType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy>
+{
+ typedef Chain<AtomType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy> self_type;
+ typedef AtomicStructure<AtomType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy> base_type;
+public:
+ IMPORT_ATOMIC_STRUCTURE_TYPES(base_type);
+
+ Chain(self_type const & source) :
+ base_type(source), _chain_id(source._chain_id) {}
+
+ virtual ~Chain() {}
+
+ //! Print a chain.
+ virtual std::ostream & print(std::ostream & os,
+ size_type first_atom_num = 1,
+ size_type group_num = 1) const
+ {
+ return base_type::print(os,first_atom_num,group_num,_chain_id);
+ }
+
+ //! Get the chain id.
+ char chain_id() const { return _chain_id; }
+ //! Set the chain id.
+ void set_chain_id(char ch_id) { _chain_id = ch_id; }
+
+protected:
+
+ //! Constructors that are not in the Chain concept, but
+ //! will be useful in derived class types.
+ //@{
+ Chain(size_type n = 0,
+ const_reference t = atom_type(),
+ id_type type = id_type(),
+ char chain_id = ' ') :
+ base_type(n,t,type), _chain_id(chain_id) {}
+
+ template <typename AtomIterator>
+ Chain(AtomIterator i, AtomIterator j, id_type type, char chain_id) :
+ base_type(i,j,type), _chain_id(chain_id) {}
+ //@}
+
+ //! Swap the contents of two Chains.
+ //! Explicitly protected to prevent heterogenous type swapping.
+ void swap(self_type & b)
+ {
+ base_type::swap(b);
+ std::swap(_chain_id,b._chain_id);
+ }
+
+ //! Assignment operator.
+ //! Explicitly protected to prevent heterogenous type assignments.
+ self_type const & operator=(self_type const & rhs)
+ {
+ if (this == &rhs) return *this;
+ base_type::operator=(rhs);
+ _chain_id = rhs._chain_id;
+ return *this;
+ }
+
+ //! Equality comparison.
+ //! Two Chain objects are equivalent iff their chain ids are equal,
+ //! and their contained atoms are all equivalent.
+ //!
+ //! Explicitly protected to prevent heterogenous type comparisons.
+ //@{
+ bool operator==(self_type const & rhs) const
+ {
+ return (_chain_id == rhs._chain_id && base_type::operator==(rhs));
+ }
+
+ bool operator!=(self_type const & rhs) const
+ {
+ return !(operator==(rhs));
+ }
+ //@}
+
+ //! Less-than comparison.
+ //! Chain A is less than Chain B if the chain id of A is less than
+ //! the chain id of B, or if the chain ids are equivalent, and
+ //! static_cast<AtomicStructure>(A) < static_cast<AtomicStructure>(B)
+ //! is a true statement.
+ //!
+ //! Explicitly protected to prevent heterogenous type comparisons.
+ bool operator<(self_type const & rhs) const
+ {
+ if (_chain_id < rhs._chain_id)
+ return true;
+ else if (_chain_id == rhs._chain_id)
+ return base_type::operator<(rhs);
+ else
+ return false;
+ }
+
+private:
+ char _chain_id;
+};
+
+} // namespace MOLECULES
+} // namespace BTK
+
+#endif
diff --git a/btk/core/molecules/default_monomer_dictionary.hpp b/btk/core/molecules/default_monomer_dictionary.hpp
new file mode 100644
index 0000000..0c57720
--- /dev/null
+++ b/btk/core/molecules/default_monomer_dictionary.hpp
@@ -0,0 +1,34 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_MOLECULES_DEFAULT_MONOMER_DICTIONARY_HPP
+#define BTK_MOLECULES_DEFAULT_MONOMER_DICTIONARY_HPP
+
+#include <btk/core/io/dictionary.hpp>
+
+namespace BTK {
+namespace MOLECULES {
+
+typedef BTK::IO::Dictionary<int> DefaultMonomerDictionary;
+
+}
+}
+
+#endif
diff --git a/btk/core/molecules/default_structure_dictionary.hpp b/btk/core/molecules/default_structure_dictionary.hpp
new file mode 100644
index 0000000..e399e81
--- /dev/null
+++ b/btk/core/molecules/default_structure_dictionary.hpp
@@ -0,0 +1,34 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_MOLECULES_DEFAULT_STRUCTURE_DICTIONARY_HPP
+#define BTK_MOLECULES_DEFAULT_STRUCTURE_DICTIONARY_HPP
+
+#include <btk/core/io/dictionary.hpp>
+
+namespace BTK {
+namespace MOLECULES {
+
+typedef BTK::IO::Dictionary<int> DefaultStructureDictionary;
+
+}
+}
+
+#endif
diff --git a/btk/core/molecules/molecule.hpp b/btk/core/molecules/molecule.hpp
new file mode 100644
index 0000000..55a4883
--- /dev/null
+++ b/btk/core/molecules/molecule.hpp
@@ -0,0 +1,138 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file molecule.hpp
+//! \brief Definition of the Molecule class.
+
+#ifndef BTK_MOLECULES_MOLECULE_HPP
+#define BTK_MOLECULES_MOLECULE_HPP
+
+#include <btk/core/molecules/chain.hpp>
+
+namespace BTK {
+namespace MOLECULES {
+
+//! \brief Generic molecule class.
+//!
+//! Molecule is a rigid-body molecule class, meaning that it can
+//! represent molecules as fixed collections of atoms/points that
+//! may be translated, rotated and transformed like any other fixed
+//! set of points in space.
+//!
+//! Because Molecule is a simple, "bag of atoms" class, the interface
+//! is more permissive than a regular AtomicStructure. It is safe to
+//! insert/erase individual atoms in a Molecule, and to support this,
+//! Molecule conforms to the complete STL Sequence Concept.
+//!
+template <typename AtomType,
+ typename ChemicalTypeSystemType =
+ typename AtomType::chemical_type_system,
+ typename DictionaryType =
+ typename ChemicalTypeSystemType::structure_dictionary,
+ typename StorageStrategy = std::vector<AtomType> >
+class Molecule :
+ public Chain<AtomType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy>,
+ public boost::less_than_comparable<Chain<AtomType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy> >
+{
+ typedef Chain<AtomType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy> base_type;
+ typedef Molecule<AtomType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy> self_type;
+
+public:
+ IMPORT_ATOMIC_STRUCTURE_TYPES(base_type);
+
+ Molecule(size_type n = 0,
+ const_reference t = atom_type(),
+ id_type type = id_type(),
+ char chain_id = ' ') :
+ base_type(n,t,type,chain_id) {}
+
+ template <typename AtomIterator>
+ Molecule(AtomIterator i, AtomIterator j,
+ id_type type = id_type(),
+ char chain_id = ' ') :
+ base_type(i,j,type,chain_id) {}
+
+ Molecule(self_type const & source) : base_type(source) {}
+
+ virtual ~Molecule() {}
+
+ //
+ // Bring the STL Sequence Concept methods into the public interface.
+ // (It's OK to insert/delete individual atoms into a Molecule).
+ //
+ IMPORT_BTK_SEQUENCE_METHODS(base_type);
+
+ using base_type::set_type;
+ using base_type::set_chemical_type_system;
+
+ virtual dictionary const & get_dictionary() const
+ {
+ return base_type::get_chemical_type_system().get_structure_dictionary();
+ }
+
+ virtual dictionary & get_dictionary()
+ {
+ return base_type::get_chemical_type_system().get_structure_dictionary();
+ }
+
+ void swap(self_type & b)
+ {
+ base_type::swap(b);
+ }
+
+ self_type const & operator=(self_type const & rhs)
+ {
+ if (this == &rhs) return *this;
+ base_type::operator=(rhs);
+ return *this;
+ }
+
+ bool operator==(self_type const & rhs) const
+ {
+ return base_type::operator==(rhs);
+ }
+
+ bool operator!=(self_type const & rhs) const
+ {
+ return base_type::operator!=(rhs);
+ }
+
+ bool operator<(self_type const & rhs) const
+ {
+ return base_type::operator<(rhs);
+ }
+};
+
+} // namespace MOLECULES
+} // namespace BTK
+
+#endif
diff --git a/btk/core/molecules/monomer.hpp b/btk/core/molecules/monomer.hpp
new file mode 100644
index 0000000..1a3a63d
--- /dev/null
+++ b/btk/core/molecules/monomer.hpp
@@ -0,0 +1,181 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2003-2006, Tim Robertson <kid50 at users.sourceforge.net>,
+// Chris Saunders <ctsa at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file monomer.hpp
+/// \brief Definition of Monomer class.
+///
+
+#ifndef BTK_MOLECULES_MONOMER_HPP
+#define BTK_MOLECULES_MONOMER_HPP
+
+#include <boost/operators.hpp>
+
+#include <btk/core/molecules/atomic_structure.hpp>
+
+namespace BTK {
+namespace MOLECULES {
+
+template <typename AtomType,
+ typename ChemicalTypeSystemType =
+ typename AtomType::chemical_type_system,
+ typename DictionaryType =
+ typename ChemicalTypeSystemType::monomer_dictionary,
+ typename StorageStrategy = std::vector<AtomType> >
+class Monomer :
+ public AtomicStructure<AtomType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy>,
+ public boost::less_than_comparable<Monomer<AtomType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy> >
+{
+ typedef AtomicStructure<AtomType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy> base_type;
+ typedef Monomer<AtomType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy> self_type;
+public:
+ IMPORT_ATOMIC_STRUCTURE_TYPES(base_type);
+ typedef id_type monomer_id_type;
+
+ Monomer(unsigned n = 0,
+ atom_type const & a = atom_type(),
+ id_type type = id_type(),
+ int number = 0) :
+ base_type(n,a,type), _number(number), _selected(false) {}
+
+ template <typename AtomIterator>
+ Monomer(AtomIterator i, AtomIterator j,
+ monomer_id_type type,
+ int number) :
+ base_type(i,j,type), _number(number), _selected(false) {}
+
+ Monomer(self_type const & source) :
+ base_type(source), _number(source._number), _selected(false) {}
+
+ virtual ~Monomer() {}
+
+ //
+ // Methods required for the BTKContainer concept.
+ //
+ IMPORT_BTK_CONTAINER_METHODS(base_type);
+
+ //
+ // Methods required for the Monomer concept.
+ //
+ atom_iterator monomer_begin() { return base_type::structure_begin(); }
+ const_atom_iterator monomer_begin() const
+ {
+ return base_type::structure_begin();
+ }
+
+ atom_iterator monomer_end() { return base_type::structure_end(); }
+ const_atom_iterator monomer_end() const
+ {
+ return base_type::structure_end();
+ }
+
+ reverse_atom_iterator monomer_rbegin() { return base_type::structure_rbegin(); }
+ const_reverse_atom_iterator monomer_rbegin() const
+ {
+ return base_type::structure_rbegin();
+ }
+
+ reverse_atom_iterator monomer_rend() { return base_type::structure_rend(); }
+ const_reverse_atom_iterator monomer_rend() const
+ {
+ return base_type::structure_rend();
+ }
+
+ int number() const { return _number; }
+ void set_number(int number) { _number = number; }
+
+ bool selected() const { return _selected; }
+ void select(bool s = true) const
+ {
+ _selected = s;
+ const_atom_iterator end = base_type::structure_end();
+
+ for (const_atom_iterator i = base_type::structure_begin(); i != end; ++i)
+ i->select(s);
+ }
+
+ virtual dictionary const & get_dictionary() const
+ {
+ return base_type::get_chemical_type_system().get_monomer_dictionary();
+ }
+
+ virtual dictionary & get_dictionary()
+ {
+ return base_type::get_chemical_type_system().get_monomer_dictionary();
+ }
+
+ void swap(self_type & b)
+ {
+ base_type::swap(b);
+ std::swap(_number,b._number);
+ std::swap(_selected,b._selected);
+ }
+
+ self_type const & operator=(self_type const & rhs)
+ {
+ if (this == &rhs) return *this;
+ base_type::operator=(rhs);
+ _number = rhs._number;
+ _selected = rhs._selected;
+ return *this;
+ }
+
+ bool operator==(self_type const & rhs) const
+ {
+ return (_number == rhs._number &&
+ base_type::operator==(rhs));
+ }
+
+ bool operator!=(self_type const & rhs) const
+ {
+ return !(operator==(rhs));
+ }
+
+ bool operator<(self_type const & rhs) const
+ {
+ return (_number < rhs._number ||
+ (_number == rhs._number && base_type::operator<(rhs)));
+ }
+
+private:
+ int _number;
+ mutable bool _selected;
+};
+
+#define IMPORT_MONOMER_TYPES(MonomerType) \
+ IMPORT_ATOMIC_STRUCTURE_TYPES(MonomerType) \
+ typedef typename MonomerType::monomer_id_type monomer_id_type;
+
+} // namespace MOLECULES
+} // namespace BTK
+
+#endif //BTK_MOLECULES_MONOMER_HPP
diff --git a/btk/core/molecules/polymer.hpp b/btk/core/molecules/polymer.hpp
new file mode 100644
index 0000000..3e4b7a6
--- /dev/null
+++ b/btk/core/molecules/polymer.hpp
@@ -0,0 +1,312 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005-2006, Tim Robertson <kid50 at users.sourceforge.net>,
+// Chris Saunders <ctsa at users.sourceforge.net>,
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file polymer.hpp
+/// Definition of the Polymer class.
+
+#ifndef BTK_MOLECULES_POLYMER_HPP
+#define BTK_MOLECULES_POLYMER_HPP
+
+#include <list>
+
+#include <boost/operators.hpp>
+#include <boost/iterator/reverse_iterator.hpp>
+
+#include <btk/core/utility/grouped_element_iterator.hpp>
+#include <btk/core/molecules/polymer_structure.hpp>
+
+namespace BTK {
+namespace MOLECULES {
+
+//! A Polymer is a chain of monomers that is also an atomic structure.
+//!
+//! This class is a Sequence of objects that adhere to the MonomerConcept,
+//! (just like PolymerStructure), with the addition of methods thast allow
+//! iteration over atoms (as if the container were an AtomicStructure). This
+//! combination of features makes sense biochemically -- every polymer is a
+//! a chain of atoms, conceptually grouped into monomers.
+//!
+//! More specifically, Polymer implements the ChainConcept and the
+//! AtomicStructureConcept. Thus, you can iterate over atoms and get/set the
+//! chain ID of a Polymer, but you cannot insert or delete individual atoms from a
+//! Polymer. As with the PolymerStructure, though, you may insert and delete monomer
+//! objects from a Polymer.
+//!
+template <typename MonomerType,
+ typename ChemicalTypeSystemType =
+ typename MonomerType::chemical_type_system,
+ typename DictionaryType =
+ typename ChemicalTypeSystemType::structure_dictionary,
+ typename StorageStrategy = std::list<MonomerType> >
+class Polymer :
+ public PolymerStructure<MonomerType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy>,
+ public boost::less_than_comparable<Polymer<MonomerType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy> >
+{
+ typedef PolymerStructure<MonomerType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy> base_type;
+ typedef Polymer<MonomerType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy> self_type;
+ public:
+ IMPORT_POLYMER_STRUCTURE_TYPES(base_type);
+
+ /// \name Type definitions required by the AtomicStructureConcept.
+ ///@{
+
+ /// The atom type (the type of the atom held by the monomer objects).
+ typedef typename monomer_type::atom_type atom_type;
+
+ /// THe atom ID type.
+ typedef typename atom_type::id_type atom_id_type;
+
+ /// \name Required atom iterator types.
+ //@{
+ typedef UTILITY::
+ GroupedElementIterator<monomer_iterator,
+ typename monomer_type::atom_iterator,
+ monomer_type,
+ atom_type> atom_iterator;
+
+ typedef boost::reverse_iterator<atom_iterator> reverse_atom_iterator;
+
+ typedef UTILITY::
+ GroupedElementIterator<const_monomer_iterator,
+ typename monomer_type::const_atom_iterator,
+ monomer_type const,
+ atom_type const> const_atom_iterator;
+
+ typedef boost::reverse_iterator<const_atom_iterator> const_reverse_atom_iterator;
+ //@}
+
+ /// Construct a Polymer of a given size.
+ /// \param s Size of the new Polymer.
+ /// \param m An instance of the MonomerType to copy into the new Polymer.
+ /// \param chain_id The chain ID value.
+ /// \param t The structure ID value (currently unused).
+ Polymer(size_type s = 0,
+ monomer_type const & m = monomer_type(),
+ char chain_id = ' ',
+ structure_id_type t = structure_id_type()) :
+ base_type(s,m,t), _chain_id(chain_id) {}
+
+ /// Construct a Polymer from a range of monomer objects.
+ /// \param first The start iterator of the monomer range.
+ /// \param last The end iterator of the monomer range.
+ /// \param chain_id The chain ID value.
+ /// \param t The structure ID value (currently unused).
+ template <typename MonomerIterator>
+ Polymer(MonomerIterator first,
+ MonomerIterator last,
+ char chain_id = ' ',
+ structure_id_type t = structure_id_type()) :
+ base_type(first,last,t), _chain_id(chain_id) {}
+
+ Polymer(self_type const & source) :
+ base_type(source), _chain_id(source._chain_id) {}
+
+ virtual ~Polymer() {}
+
+ /// \name Methods required by the AtomicStructureConcept.
+ //@{
+
+ /// Get an atom_iterator (start of range).
+ atom_iterator structure_begin()
+ {
+ return atom_iterator(base_type::polymer_begin(),
+ base_type::polymer_end(),
+ &monomer_type::monomer_begin,
+ &monomer_type::monomer_end);
+ }
+
+ /// Get an atom_iterator (start of range).
+ const_atom_iterator structure_begin() const
+ {
+ return const_atom_iterator(base_type::polymer_begin(),
+ base_type::polymer_end(),
+ &monomer_type::monomer_begin,
+ &monomer_type::monomer_end);
+ }
+
+ /// Get a reverse_atom_iterator.
+ reverse_atom_iterator structure_rbegin()
+ {
+ return reverse_atom_iterator(self_type::structure_end());
+ }
+
+ /// Get a reverse_atom_iterator.
+ const_reverse_atom_iterator structure_rbegin() const
+ {
+ return const_reverse_atom_iterator(self_type::structure_end());
+ }
+
+ /// Get a reverse_atom_iterator (end of range).
+ atom_iterator structure_end()
+ {
+ return atom_iterator(base_type::polymer_begin(),
+ base_type::polymer_end(),
+ &monomer_type::monomer_begin,
+ &monomer_type::monomer_end,
+ true);
+ }
+
+ /// Get an atom_iterator (end of range).
+ const_atom_iterator structure_end() const
+ {
+ return const_atom_iterator(base_type::polymer_begin(),
+ base_type::polymer_end(),
+ &monomer_type::monomer_begin,
+ &monomer_type::monomer_end,
+ true);
+ }
+
+ /// Get a reverse_atom_iterator (end of range).
+ reverse_atom_iterator structure_rend()
+ {
+ return reverse_atom_iterator(self_type::structure_begin());
+ }
+
+ /// Get a reverse_atom_iterator (end of range).
+ const_reverse_atom_iterator structure_rend() const
+ {
+ return const_reverse_atom_iterator(self_type::structure_begin());
+ }
+
+ /// Get the size of the Polymer, in atoms.
+ /// Runs in linear time with the number of monomers in the Polymer.
+ size_type num_atoms() const
+ {
+ size_type s = 0;
+ const_monomer_iterator mi;
+
+ for (mi = self_type::polymer_begin();
+ mi != self_type::polymer_end(); ++mi) {
+ s += mi->num_atoms();
+ }
+
+ return s;
+ }
+ //@}
+
+ /// Print the atoms in a Polymer to an output stream.
+ /// \deprecated This interface will change when the simplified output system
+ /// is completed in future versions of the library.
+ virtual std::ostream & print(std::ostream & os,
+ size_type first_atom_num = 1,
+ size_type first_monomer_num = 1) const
+ {
+ const_monomer_iterator mi;
+ unsigned group_num = first_monomer_num;
+ unsigned atom_num = first_atom_num;
+
+ for (mi = self_type::polymer_begin();
+ mi != self_type::polymer_end(); ++mi) {
+ mi->print(os,
+ atom_num,
+ group_num++,
+ _chain_id);
+
+ atom_num += mi->size();
+ }
+
+ os << "TER\n";
+
+ return os;
+ }
+
+ /// \name Methods required for the ChainConcept.
+ //@{
+ /// Get the current chain ID value.
+ char chain_id() const { return _chain_id; }
+ /// Set the current chain ID value.
+ void set_chain_id(char chain_id) { _chain_id = chain_id; }
+ //@}
+
+ //
+ // Bring the BTKSequence methods into the public interface.
+ //
+ IMPORT_BTK_SEQUENCE_METHODS(base_type);
+
+ using base_type::set_type;
+ using base_type::set_chemical_type_system;
+
+ virtual dictionary const & get_dictionary() const
+ {
+ return base_type::get_chemical_type_system().get_structure_dictionary();
+ }
+
+ virtual dictionary & get_dictionary()
+ {
+ return base_type::get_chemical_type_system().get_structure_dictionary();
+ }
+
+ void swap(self_type & b)
+ {
+ base_type::swap(b);
+ std::swap(_chain_id,b._chain_id);
+ }
+
+ self_type const & operator=(self_type const & rhs)
+ {
+ if (this == &rhs) return *this;
+ base_type::operator=(rhs);
+ _chain_id = rhs._chain_id;
+ return *this;
+ }
+
+ bool operator==(self_type const & rhs) const
+ {
+ return (_chain_id == rhs._chain_id &&
+ base_type::operator==(rhs));
+ }
+
+ bool operator!=(self_type const & rhs) const
+ {
+ return !(operator==(rhs));
+ }
+
+ bool operator<(self_type const & rhs) const
+ {
+ return (_chain_id < rhs._chain_id ||
+ (_chain_id == rhs._chain_id && base_type::operator<(rhs)));
+ }
+
+ private:
+ char _chain_id;
+};
+
+#define IMPORT_POLYMER_TYPES(PolymerType) \
+ IMPORT_POLYMER_STRUCTURE_TYPES(PolymerType) \
+ typedef typename PolymerType::atom_type atom_type; \
+ typedef typename PolymerType::atom_id_type atom_id_type;
+
+} // namespace MOLECULES
+} // namespace BTK
+
+#endif
diff --git a/btk/core/molecules/polymer_structure.hpp b/btk/core/molecules/polymer_structure.hpp
new file mode 100644
index 0000000..626b8cd
--- /dev/null
+++ b/btk/core/molecules/polymer_structure.hpp
@@ -0,0 +1,227 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file polymer_structure.hpp
+//! Definition of the PolymerStructure class.
+
+#ifndef BTK_MOLECULES_POLYMER_STRUCTURE_HPP
+#define BTK_MOLECULES_POLYMER_STRUCTURE_HPP
+
+#include <ostream>
+#include <algorithm>
+#include <iterator>
+
+#include <btk/core/utility/btk_sequence.hpp>
+#include <btk/core/utility/chemically_typed_object.hpp>
+#include <btk/core/concepts/monomer_concept.hpp>
+#include <btk/core/concepts/monomer_iterator_concept.hpp>
+
+namespace BTK {
+namespace MOLECULES {
+
+template <typename MonomerType,
+ typename ChemicalTypeSystemType,
+ typename DictionaryType,
+ typename StorageStrategy>
+class PolymerStructure :
+ public BTK::UTILITY::ChemicallyTypedObject<ChemicalTypeSystemType,
+ DictionaryType>,
+ protected BTK::UTILITY::BTKSequence<MonomerType,StorageStrategy>
+{
+ typedef BTK::UTILITY::ChemicallyTypedObject<ChemicalTypeSystemType,
+ DictionaryType> cto_type;
+ typedef BTK::UTILITY::BTKSequence<MonomerType,
+ StorageStrategy> btk_seq_type;
+ typedef PolymerStructure<MonomerType,
+ ChemicalTypeSystemType,
+ DictionaryType,
+ StorageStrategy> self_type;
+
+public:
+ IMPORT_CHEMICALLY_TYPED_OBJECT_TYPES(cto_type);
+ IMPORT_BTK_CONTAINER_TYPES(btk_seq_type);
+
+ typedef value_type monomer_type;
+ typedef iterator monomer_iterator;
+ typedef reverse_iterator reverse_monomer_iterator;
+ typedef const_iterator const_monomer_iterator;
+ typedef const_reverse_iterator const_reverse_monomer_iterator;
+ typedef id_type structure_id_type;
+ typedef typename monomer_type::id_type monomer_id_type;
+
+ BOOST_CLASS_REQUIRE(monomer_type,BTK::CONCEPTS,MonomerConcept);
+ BOOST_CLASS_REQUIRE(iterator,BTK::CONCEPTS,MutableMonomerIteratorConcept);
+ BOOST_CLASS_REQUIRE(reverse_iterator,BTK::CONCEPTS,MutableMonomerIteratorConcept);
+ BOOST_CLASS_REQUIRE(const_iterator,BTK::CONCEPTS,MonomerIteratorConcept);
+ BOOST_CLASS_REQUIRE(const_reverse_iterator,BTK::CONCEPTS,MonomerIteratorConcept);
+
+ //
+ // Constructors required by STL Reversible Container Concept
+ //
+ PolymerStructure(self_type const & source) :
+ cto_type(source), btk_seq_type(source) {}
+
+ virtual ~PolymerStructure() {}
+
+ //
+ // Methods required by STL Reversible Container concept
+ //
+ IMPORT_BTK_CONTAINER_METHODS(btk_seq_type);
+
+ //
+ // Methods required for all Polymer Structures
+ //
+ size_type num_monomers() const { return btk_seq_type::size(); }
+
+ monomer_iterator polymer_begin() { return btk_seq_type::begin(); }
+ const_monomer_iterator polymer_begin() const { return btk_seq_type::begin(); }
+
+ reverse_monomer_iterator polymer_rbegin() { return btk_seq_type::rbegin(); }
+ const_reverse_monomer_iterator polymer_rbegin() const
+ { return btk_seq_type::rbegin(); }
+
+ monomer_iterator polymer_end() { return btk_seq_type::end(); }
+ const_monomer_iterator polymer_end() const { return btk_seq_type::end(); }
+
+ reverse_monomer_iterator polymer_rend() { return btk_seq_type::rend(); }
+ const_reverse_monomer_iterator polymer_rend() const
+ { return btk_seq_type::rend(); }
+
+ using cto_type::type;
+ using cto_type::name;
+ using cto_type::get_chemical_type_system;
+
+ virtual void set_chemical_type_system(chemical_type_system const & cts)
+ {
+ // call base implementation
+ cto_type::set_chemical_type_system(cts);
+
+ // set the type systems of every monomer
+ for (monomer_iterator mi = polymer_begin(); mi != polymer_end(); ++mi)
+ mi->set_chemical_type_system(cts);
+ }
+
+ virtual std::ostream & print(std::ostream & os,
+ size_type first_atom_num = 1,
+ size_type first_group_num = 1,
+ char chain_id = ' ') const
+ {
+ const_monomer_iterator mi;
+ size_type atom_num = first_atom_num;
+ size_type group_num = first_group_num;
+
+ for (mi = polymer_begin(); mi != polymer_end(); ++mi) {
+ mi->print(os,atom_num,group_num,chain_id);
+ atom_num += mi->num_atoms();
+ ++group_num;
+ }
+
+ return os;
+ }
+
+ virtual dictionary const & get_dictionary() const = 0;
+ virtual dictionary & get_dictionary() = 0;
+
+protected:
+
+ //
+ // Constructors useful in derived classes
+ //
+ PolymerStructure(size_type n = 0,
+ const_reference t = value_type(),
+ id_type type = id_type()) :
+ cto_type(t.get_chemical_type_system(),type), btk_seq_type(n,t) {}
+
+ template <typename MonomerIterator>
+ PolymerStructure(MonomerIterator i, MonomerIterator j,
+ id_type type = id_type()) :
+ cto_type(i->get_chemical_type_system(),type), btk_seq_type(i,j)
+ {
+ boost::function_requires<BTK::CONCEPTS::
+ MonomerIteratorConcept<MonomerIterator> >();
+
+ // The monomers in the range passed to this constructor must be
+ // convertible to the monomer_type of the class! If you get a compile
+ // error here, it probably means that you're trying to construct a
+ // PolymerStructure using a monomer type that is incompatible with the
+ // monomer type of the class (a different atom type, for example).
+ typedef typename std::iterator_traits<MonomerIterator>::value_type m_t;
+ boost::function_requires<boost::ConvertibleConcept<m_t,monomer_type> >();
+ }
+
+ using cto_type::set_type;
+
+ self_type const & operator=(self_type const & rhs)
+ {
+ if (this == &rhs) return *this;
+ cto_type::operator=(rhs);
+ btk_seq_type::operator=(rhs);
+ return *this;
+ }
+
+ void swap(self_type & b)
+ {
+ cto_type::swap(b);
+ btk_seq_type::swap(b);
+ }
+
+ bool operator==(self_type const & rhs) const {
+ return (cto_type::operator==(rhs) && btk_seq_type::operator==(rhs));
+ }
+
+ bool operator!=(self_type const & rhs) const {
+ return !(operator==(rhs));
+ }
+
+ bool operator<(self_type const & rhs) const {
+ if (cto_type::operator<(rhs))
+ return true;
+ else if (cto_type::operator==(rhs))
+ return btk_seq_type::operator<(rhs);
+ else
+ return false;
+ }
+};
+
+#define IMPORT_POLYMER_STRUCTURE_TYPES(PStructure) \
+ IMPORT_CHEMICALLY_TYPED_OBJECT_TYPES(PStructure) \
+ IMPORT_BTK_CONTAINER_TYPES(PStructure) \
+ \
+ typedef typename PStructure::monomer_type monomer_type; \
+ typedef typename PStructure::monomer_iterator monomer_iterator; \
+ typedef typename PStructure::const_monomer_iterator \
+ const_monomer_iterator; \
+ typedef typename PStructure::reverse_monomer_iterator \
+ reverse_monomer_iterator; \
+ typedef typename PStructure::const_reverse_monomer_iterator \
+ const_reverse_monomer_iterator; \
+ typedef typename PStructure::structure_id_type structure_id_type; \
+ typedef typename PStructure::monomer_id_type monomer_id_type;
+
+template <typename MT, typename CTO, typename DICT, typename SS>
+std::ostream & operator<<(std::ostream & os, PolymerStructure<MT,CTO,DICT,SS> const & p)
+{
+ return p.print(os);
+}
+
+} // namespace MOLECULES
+} // namespace BTK
+
+#endif
diff --git a/btk/core/molecules/system.hpp b/btk/core/molecules/system.hpp
new file mode 100644
index 0000000..57970cd
--- /dev/null
+++ b/btk/core/molecules/system.hpp
@@ -0,0 +1,357 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file system.hpp
+//! \brief Definition of the System class.
+
+#ifndef BTK_MOLECULES_SYSTEM_HPP
+#define BTK_MOLECULES_SYSTEM_HPP
+
+#include <ostream>
+#include <list>
+#include <iterator>
+
+#include <btk/core/utility/chemically_typed_object.hpp>
+#include <btk/core/utility/btk_sequence.hpp>
+#include <btk/core/concepts/chain_iterator_concept.hpp>
+#include <btk/core/molecules/system_base.hpp>
+
+namespace BTK {
+namespace MOLECULES {
+
+//! \brief A class for representing systems of molecules.
+//!
+//! \param ChainType The type of chain/molecule stored in the system (must be a
+//! model of the BTK ChainConcept).
+//!
+//! \param StorageStrategy The underlying storage method (must be a model of
+//! the STL Sequence concept).
+//!
+//! A System stores molecules (or more strictly, chains of atoms).
+//! It is a BTKSequence of ChainType objects, and therefore, a model of the
+//! BTKMutableContainerConcept (with a value_type equivalent to the ChainType).
+//!
+//! This class requires that its ChainType be a model of the ChainConcept,
+//! but beyond that, no further requirements are imposed on the type of the
+//! object used to instantiate the class. If the ChainType is also a model of
+//! the MonomerIterableConcept, the resulting System type will be a model of
+//! the MonomerIterableConcept.
+//!
+template <typename ChainType,
+ typename ChemicalTypeSystemType =
+ typename ChainType::chemical_type_system,
+ typename StorageStrategy = std::list<ChainType> >
+class System :
+ public BTK::UTILITY::ChemicallyTypedObject<ChemicalTypeSystemType,
+ typename ChemicalTypeSystemType::
+ structure_dictionary>,
+ public BTK::UTILITY::BTKSequence<ChainType,StorageStrategy>,
+ public detail::PolymerSystemBase<System<ChainType,
+ ChemicalTypeSystemType,
+ StorageStrategy>,
+ ChainType,
+ typename BTK::UTILITY::BTKSequence<ChainType,
+ StorageStrategy>::iterator,
+ typename BTK::UTILITY::BTKSequence<ChainType,
+ StorageStrategy>::const_iterator,
+ detail::IsMonomerIterable<ChainType>::value>
+{
+ typedef BTK::UTILITY::ChemicallyTypedObject<ChemicalTypeSystemType,
+ typename ChemicalTypeSystemType::
+ structure_dictionary> cto_type;
+ typedef BTK::UTILITY::BTKSequence<ChainType,
+ StorageStrategy> btk_seq_type;
+ typedef System<ChainType,
+ ChemicalTypeSystemType,
+ StorageStrategy> self_type;
+
+public:
+ IMPORT_CHEMICALLY_TYPED_OBJECT_TYPES(cto_type);
+ IMPORT_BTK_CONTAINER_TYPES(btk_seq_type);
+
+ ///\group Type definitions required for all System classes.
+ //@{
+ typedef value_type chain_type;
+ typedef iterator chain_iterator;
+ typedef const_iterator const_chain_iterator;
+ typedef reverse_iterator reverse_chain_iterator;
+ typedef const_reverse_iterator const_reverse_chain_iterator;
+ typedef id_type structure_id_type;
+ //@}
+
+ BOOST_CLASS_REQUIRE(chain_type,BTK::CONCEPTS,ChainConcept);
+ BOOST_CLASS_REQUIRE(chain_iterator,BTK::CONCEPTS,MutableChainIteratorConcept);
+ BOOST_CLASS_REQUIRE(const_chain_iterator,BTK::CONCEPTS,ChainIteratorConcept);
+ BOOST_CLASS_REQUIRE(reverse_chain_iterator,BTK::CONCEPTS,MutableChainIteratorConcept);
+ BOOST_CLASS_REQUIRE(const_reverse_chain_iterator,BTK::CONCEPTS,ChainIteratorConcept);
+
+ //\group Type definitions required by the AtomIterableConcept.
+ //@{
+ typedef typename chain_type::atom_type atom_type;
+
+ typedef typename BTK::UTILITY::
+ GroupedElementIterator<chain_iterator,
+ typename chain_type::atom_iterator,
+ chain_type,
+ atom_type> atom_iterator;
+
+ typedef BTK::UTILITY::
+ GroupedElementIterator<const_chain_iterator,
+ typename chain_type::const_atom_iterator,
+ chain_type const,
+ atom_type const> const_atom_iterator;
+
+ typedef boost::reverse_iterator<atom_iterator> reverse_atom_iterator;
+ typedef boost::reverse_iterator<const_atom_iterator> const_reverse_atom_iterator;
+ //@}
+
+ //! Create an empty System with a given instance of a ChemicalTypeSystem.
+ System(chemical_type_system const & cts,
+ id_type type = id_type()) :
+ cto_type(cts,type), btk_seq_type() {}
+
+ //! \group Constructors required by the STL Sequence concept.
+ //@{
+ System(size_type n = 0,
+ const_reference t = chain_type(),
+ id_type type = id_type()):
+ cto_type(t.get_chemical_type_system(),type), btk_seq_type(n,t) {}
+
+ template <typename ChainIterator>
+ System(ChainIterator i, ChainIterator j,
+ id_type type = id_type()) :
+ cto_type(i->get_chemical_type_system(),type), btk_seq_type(i,j)
+ {
+ boost::function_requires<BTK::CONCEPTS::
+ ChainIteratorConcept<ChainIterator> >();
+
+ // The chains in the range passed to this constructor must be convertible
+ // to the chain_type of the class! If you get a compile error here,
+ // it probably means that you're trying to construct some kind of
+ // System using a chain type that is incompatible with the
+ // chain type of the class (e.g. a different atom or monomer type).
+ typedef typename std::iterator_traits<ChainIterator>::value_type c_t;
+ boost::function_requires<boost::ConvertibleConcept<c_t,chain_type> >();
+ }
+
+ System(self_type const & src) :
+ cto_type(src), btk_seq_type(src) {}
+ //@}
+
+ virtual ~System() {}
+
+ ///\group Methods required for all System objects.
+ //@{
+ size_type num_chains() const { return btk_seq_type::size(); }
+
+ iterator system_begin() { return btk_seq_type::begin(); }
+ const_iterator system_begin() const { return btk_seq_type::begin(); }
+
+ reverse_iterator system_rbegin() { return btk_seq_type::rbegin(); }
+ const_reverse_iterator system_rbegin() const { return btk_seq_type::rbegin(); }
+
+ iterator system_end() { return btk_seq_type::end(); }
+ const_iterator system_end() const { return btk_seq_type::end(); }
+
+ reverse_iterator system_rend() { return btk_seq_type::rend(); }
+ const_reverse_iterator system_rend() const { return btk_seq_type::rend(); }
+
+ virtual std::ostream & print(std::ostream & os,
+ size_type first_atom_num = 1) const
+ {
+ const_chain_iterator ci;
+ size_type atom_num = first_atom_num;
+
+ for (ci = system_begin(); ci != system_end(); ++ci) {
+ ci->print(os,atom_num);
+ atom_num += ci->num_atoms();
+ }
+
+ return os;
+ }
+ //@}
+
+ ///\group Methods required by the AtomIterableConcept.
+ //@{
+ typename chain_type::size_type num_atoms() const
+ {
+ typename chain_type::size_type N = 0;
+ const_chain_iterator ci;
+
+ for (ci = system_begin(); ci != system_end(); ++ci)
+ N += ci->num_atoms();
+
+ return N;
+ }
+
+ atom_iterator structure_begin()
+ {
+ return atom_iterator(system_begin(),
+ system_end(),
+ &chain_type::structure_begin,
+ &chain_type::structure_end);
+ }
+
+ atom_iterator structure_end()
+ {
+ return atom_iterator(system_begin(),
+ system_end(),
+ &chain_type::structure_begin,
+ &chain_type::structure_end,
+ true);
+ }
+
+ reverse_atom_iterator structure_rbegin()
+ {
+ return reverse_atom_iterator(structure_end());
+ }
+
+ reverse_atom_iterator structure_rend()
+ {
+ return reverse_atom_iterator(structure_begin());
+ }
+
+ const_atom_iterator structure_begin() const
+ {
+ return const_atom_iterator(system_begin(),
+ system_end(),
+ &chain_type::structure_begin,
+ &chain_type::structure_end);
+ }
+
+ const_atom_iterator structure_end() const
+ {
+ return const_atom_iterator(system_begin(),
+ system_end(),
+ &chain_type::structure_begin,
+ &chain_type::structure_end,
+ true);
+ }
+
+ const_reverse_atom_iterator structure_rbegin() const
+ {
+ return const_reverse_atom_iterator(structure_end());
+ }
+
+ const_reverse_atom_iterator structure_rend() const
+ {
+ return const_reverse_atom_iterator(structure_begin());
+ }
+ //@}
+
+ using cto_type::type;
+ using cto_type::set_type;
+ using cto_type::name;
+ using cto_type::get_chemical_type_system;
+
+ virtual dictionary const & get_dictionary() const
+ {
+ return cto_type::get_chemical_type_system().get_structure_dictionary();
+ }
+
+ virtual dictionary & get_dictionary()
+ {
+ return cto_type::get_chemical_type_system().get_structure_dictionary();
+ }
+
+ //! Set the TypeSystem object associated with this System.
+ virtual void set_chemical_type_system(chemical_type_system const & cts)
+ {
+ // call base implementation
+ cto_type::set_chemical_type_system(cts);
+
+ // set the type systems of every chain
+ for (chain_iterator ci = system_begin(); ci != system_end(); ++ci)
+ ci->set_chemical_type_system(cts);
+ }
+
+ ///\group Methods required for STL Reversible containers.
+ //@{
+ virtual void swap(self_type & b)
+ {
+ cto_type::swap(b);
+ btk_seq_type::swap(b);
+ }
+
+ self_type const & operator=(self_type const & rhs)
+ {
+ if (this == &rhs) return *this;
+ cto_type::operator=(rhs);
+ btk_seq_type::operator=(rhs);
+ return *this;
+ }
+
+ bool operator==(self_type const & rhs) const
+ {
+ return (cto_type::operator==(rhs) &&
+ btk_seq_type::operator==(rhs));
+ }
+
+ bool operator!=(self_type const & rhs) const
+ {
+ return !(operator==(rhs));
+ }
+
+ bool operator<(self_type const & rhs) const
+ {
+ if (cto_type::operator<(rhs))
+ return true;
+ else if (cto_type::operator==(rhs))
+ return btk_seq_type::operator<(rhs);
+ else
+ return false;
+ }
+ //@}
+};
+
+#define IMPORT_BTK_SYSTEM_TYPES(SysType) \
+ IMPORT_CHEMICALLY_TYPED_OBJECT_TYPES(SysType) \
+ IMPORT_BTK_CONTAINER_TYPES(SysType) \
+ \
+ typedef typename SysType::chain_type chain_type; \
+ typedef typename SysType::chain_iterator chain_iterator; \
+ typedef typename SysType::const_chain_iterator const_chain_iterator; \
+ typedef typename SysType::reverse_chain_iterator reverse_chain_iterator; \
+ typedef typename SysType::const_reverse_chain_iterator \
+ const_reverse_chain_iterator; \
+ typedef typename SysType::structure_id_type structure_id_type; \
+ typedef typename SysType::atom_type atom_type; \
+ typedef typename SysType::atom_iterator atom_iterator; \
+ typedef typename SysType::const_atom_iterator const_atom_iterator; \
+ typedef typename SysType::reverse_atom_iterator reverse_atom_iterator; \
+ typedef typename SysType::const_reverse_atom_iterator \
+ const_reverse_atom_iterator; \
+ typedef typename SysType::monomer_type monomer_type; \
+ typedef typename SysType::monomer_iterator monomer_iterator; \
+ typedef typename SysType::const_monomer_iterator const_monomer_iterator; \
+ typedef typename SysType::reverse_monomer_iterator reverse_monomer_iterator; \
+ typedef typename SysType::const_reverse_monomer_iterator \
+ const_reverse_monomer_iterator;
+
+template <typename CH, typename CTO, typename SS>
+std::ostream & operator<<(std::ostream & os, System<CH,CTO,SS> const & s)
+{
+ return s.print(os);
+}
+
+} // namespace MOLECULES
+} // namespace BTK
+
+#endif
diff --git a/btk/core/molecules/system_base.hpp b/btk/core/molecules/system_base.hpp
new file mode 100644
index 0000000..1ded94f
--- /dev/null
+++ b/btk/core/molecules/system_base.hpp
@@ -0,0 +1,189 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_MOLECULES_SYSTEM_BASE_HPP
+#define BTK_MOLECULES_SYSTEM_BASE_HPP
+
+#include <boost/iterator/reverse_iterator.hpp>
+
+#include <btk/core/utility/grouped_element_iterator.hpp>
+
+namespace BTK {
+namespace MOLECULES {
+namespace detail {
+
+typedef struct { char c[1]; } yes;
+typedef struct { char c[2]; } no;
+
+template <typename T>
+no is_monomer_iterable(...);
+
+template <typename T>
+yes is_monomer_iterable(typename T::monomer_type const volatile *,
+ typename T::size_type const volatile *,
+ typename T::monomer_iterator const volatile *,
+ typename T::reverse_monomer_iterator const volatile *);
+
+template <typename T>
+struct IsMonomerIterable
+{
+ enum { value = (sizeof(is_monomer_iterable<T>(0,0,0,0)) == sizeof(yes)) };
+};
+
+//
+// Default PolymerSystemBase -- disabled.
+//
+template <typename S, // System type
+ typename C, // chain type
+ typename CI, // chain iterator
+ typename CCI, // const chain iterator
+ bool has_monomer_iterable_iface>
+struct PolymerSystemBase
+{
+ // technically speaking, these don't need to be here,
+ // but it eliminates the need to create multiple import
+ // macros to define them as void.
+ typedef void monomer_type;
+ typedef void monomer_iterator;
+ typedef void const_monomer_iterator;
+ typedef void reverse_monomer_iterator;
+ typedef void const_reverse_monomer_iterator;
+};
+
+//
+// PolymerSystemBase -- enabled.
+//
+template <typename S,
+ typename C,
+ typename CI,
+ typename CCI>
+struct PolymerSystemBase<S,C,CI,CCI,true>
+{
+private:
+ typedef C chain_type;
+ typedef CI chain_iterator;
+ typedef CCI const_chain_iterator;
+
+public:
+ typedef typename chain_type::monomer_type monomer_type;
+
+ typedef BTK::UTILITY::
+ GroupedElementIterator<chain_iterator,
+ typename chain_type::monomer_iterator,
+ chain_type,
+ monomer_type> monomer_iterator;
+
+ typedef BTK::UTILITY::
+ GroupedElementIterator<const_chain_iterator,
+ typename chain_type::const_monomer_iterator,
+ chain_type const,
+ monomer_type const> const_monomer_iterator;
+
+ typedef boost::reverse_iterator<monomer_iterator> reverse_monomer_iterator;
+ typedef boost::
+ reverse_iterator<const_monomer_iterator> const_reverse_monomer_iterator;
+
+
+ typename chain_type::size_type
+ num_monomers() const
+ {
+ typename chain_type::size_type N = 0;
+ const_chain_iterator ci, c_end;
+
+ ci = static_cast<S const *>(this)->system_begin();
+ c_end = static_cast<S const *>(this)->system_end();
+
+ while (ci != c_end) {
+ N += ci->num_monomers();
+ ++ci;
+ }
+
+ return N;
+ }
+
+
+ monomer_iterator polymer_begin()
+ {
+ S & sys = static_cast<S&>(*this);
+
+ return monomer_iterator(sys.system_begin(),
+ sys.system_end(),
+ &chain_type::polymer_begin,
+ &chain_type::polymer_end);
+ }
+
+ monomer_iterator polymer_end()
+ {
+ S & sys = static_cast<S&>(*this);
+
+ return monomer_iterator(sys.system_begin(),
+ sys.system_end(),
+ &chain_type::polymer_begin,
+ &chain_type::polymer_end,
+ true);
+ }
+
+ reverse_monomer_iterator polymer_rbegin()
+ {
+ return reverse_monomer_iterator(polymer_end());
+ }
+
+ reverse_monomer_iterator polymer_rend()
+ {
+ return reverse_monomer_iterator(polymer_begin());
+ }
+
+ const_monomer_iterator polymer_begin() const
+ {
+ S const & sys = static_cast<S const &>(*this);
+
+ return const_monomer_iterator(sys.system_begin(),
+ sys.system_end(),
+ &chain_type::polymer_begin,
+ &chain_type::polymer_end);
+ }
+
+ const_monomer_iterator polymer_end() const
+ {
+ S const & sys = static_cast<S const &>(*this);
+
+ return const_monomer_iterator(sys.system_begin(),
+ sys.system_end(),
+ &chain_type::polymer_begin,
+ &chain_type::polymer_end,
+ true);
+ }
+
+ const_reverse_monomer_iterator polymer_rbegin() const
+ {
+ return const_reverse_monomer_iterator(polymer_end());
+ }
+
+ const_reverse_monomer_iterator polymer_rend() const
+ {
+ return const_reverse_polymer_iterator(polymer_begin());
+ }
+};
+
+} // detail
+} // MOLECULES
+} // BTK
+
+#endif
diff --git a/btk/core/utility/btk_container.hpp b/btk/core/utility/btk_container.hpp
new file mode 100644
index 0000000..b6b9974
--- /dev/null
+++ b/btk/core/utility/btk_container.hpp
@@ -0,0 +1,198 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005-2006, Christopher Saunders <ctsa at users.sourceforge.net>,
+// Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file btk_container.hpp
+//! Declaration of BTKContainer class.
+
+#ifndef BTK_UTILITY_BTK_CONTAINER_HPP
+#define BTK_UTILITY_BTK_CONTAINER_HPP
+
+#include <iterator>
+#include <vector>
+
+#include <boost/concept_check.hpp>
+
+namespace BTK {
+namespace UTILITY {
+
+#ifndef DOXYGEN_SHOULD_IGNORE_THIS
+namespace internal {
+
+template <typename C>
+typename C::reference
+get_element(C & container, unsigned n)
+{
+ typename C::iterator i = container.begin();
+ std::advance(i,n);
+ return *i;
+}
+
+template <typename V>
+typename std::vector<V>::reference
+get_element(std::vector<V> & container, unsigned n)
+{
+ return container[n];
+}
+
+template <typename C>
+typename C::const_reference
+get_element(C const & container, unsigned n)
+{
+ typename C::const_iterator i = container.begin();
+ std::advance(i,n);
+ return *i;
+}
+
+template <typename V>
+typename std::vector<V>::const_reference
+get_element(std::vector<V> const & container, unsigned n)
+{
+ return container[n];
+}
+
+} // BTK::UTILITY::internal
+#endif // DOXYGEN_SHOULD_IGNORE_THIS
+
+template <typename T, typename StorageStrategy>
+class BTKContainer
+{
+ BOOST_CLASS_REQUIRE(StorageStrategy,boost,Mutable_ReversibleContainerConcept);
+
+public:
+ typedef BTKContainer<T,StorageStrategy> self_type;
+
+ typedef T value_type;
+ typedef typename StorageStrategy::iterator iterator;
+ typedef typename StorageStrategy::const_iterator const_iterator;
+ typedef typename StorageStrategy::reverse_iterator reverse_iterator;
+ typedef typename StorageStrategy::const_reverse_iterator const_reverse_iterator;
+ typedef typename StorageStrategy::reference reference;
+ typedef typename StorageStrategy::const_reference const_reference;
+ typedef typename StorageStrategy::pointer pointer;
+ typedef typename StorageStrategy::const_pointer const_pointer;
+ typedef typename StorageStrategy::difference_type difference_type;
+ typedef typename StorageStrategy::size_type size_type;
+
+ //! \group Methods required by the STL Reversible Container Concept
+ //@{
+ BTKContainer(self_type const & source) : _storage(source._storage) {}
+ virtual ~BTKContainer() {}
+
+ iterator begin() { return _storage.begin(); }
+ const_iterator begin() const { return _storage.begin(); }
+
+ iterator end() { return _storage.end(); }
+ const_iterator end() const { return _storage.end(); }
+
+ reverse_iterator rbegin() { return _storage.rbegin(); }
+ const_reverse_iterator rbegin() const { return _storage.rbegin(); }
+
+ reverse_iterator rend() { return _storage.rend(); }
+ const_reverse_iterator rend() const { return _storage.rend(); }
+
+ size_type size() const { return _storage.size(); }
+ size_type max_size() const { return _storage.max_size(); }
+
+ bool empty() const { return _storage.empty(); }
+ //@}
+
+ reference operator[](size_type n)
+ {
+ return internal::get_element(_storage,n);
+ }
+
+ const_reference operator[](size_type n) const
+ {
+ return internal::get_element(_storage,n);
+ }
+
+protected:
+
+ //! \group Methods required by the STL Reversible Container Concept,
+ //! but protected to prevent heterogenous type operations in
+ //! derived types.
+ //@{
+ void swap(self_type & b) { _storage.swap(b._storage); }
+
+ self_type & operator=(self_type const & rhs)
+ {
+ _storage = rhs._storage;
+ return *this;
+ }
+
+ bool operator==(self_type const & rhs) const
+ {
+ return _storage == rhs._storage;
+ }
+
+ bool operator!=(self_type const & rhs) const
+ {
+ return _storage != rhs._storage;
+ }
+
+ bool operator<(self_type const & rhs) const
+ {
+ return _storage < rhs._storage;
+ }
+ //@}
+
+#define DOXYGEN_SHOULD_IGNORE_THIS
+ // These are constructors that are needed for the STL Sequence concept and
+ // the BTKSequence class, but aren't part of the STL Reversible Container concept.
+ BTKContainer(size_type n = 0, const_reference t = value_type()) : _storage(n,t) {}
+
+ template <typename InputIterator>
+ BTKContainer(InputIterator i, InputIterator j) : _storage(i,j)
+ {
+ boost::function_requires<boost::InputIteratorConcept<InputIterator> >();
+ }
+#undef DOXYGEN_SHOULD_IGNORE_THIS
+
+ StorageStrategy _storage;
+};
+
+#define IMPORT_BTK_CONTAINER_TYPES(Container) \
+ typedef typename Container::value_type value_type; \
+ typedef typename Container::iterator iterator; \
+ typedef typename Container::const_iterator const_iterator; \
+ typedef typename Container::reverse_iterator reverse_iterator; \
+ typedef typename Container::const_reverse_iterator const_reverse_iterator; \
+ typedef typename Container::reference reference; \
+ typedef typename Container::const_reference const_reference; \
+ typedef typename Container::pointer pointer; \
+ typedef typename Container::const_pointer const_pointer; \
+ typedef typename Container::difference_type difference_type; \
+ typedef typename Container::size_type size_type;
+
+#define IMPORT_BTK_CONTAINER_METHODS(Container) \
+ using Container::begin; \
+ using Container::end; \
+ using Container::rbegin; \
+ using Container::rend; \
+ using Container::size; \
+ using Container::max_size; \
+ using Container::empty; \
+ using Container::operator[];
+
+} // namesapce UTILITY
+} // namespace BTK
+
+#endif // BTK_UTILITY_BTK_CONTAINER_HPP
diff --git a/btk/core/utility/btk_sequence.hpp b/btk/core/utility/btk_sequence.hpp
new file mode 100644
index 0000000..5241c46
--- /dev/null
+++ b/btk/core/utility/btk_sequence.hpp
@@ -0,0 +1,111 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file btk_sequence.hpp
+//! Declaration of the BTKSequence class.
+
+#ifndef BTK_UTILITY_BTK_SEQUENCE_HPP
+#define BTK_UTILITY_BTK_SEQUENCE_HPP
+
+#include <btk/core/utility/btk_container.hpp>
+
+namespace BTK {
+namespace UTILITY {
+
+template <typename T, typename StorageStrategy>
+class BTKSequence : public BTKContainer<T,StorageStrategy>
+{
+ BOOST_CLASS_REQUIRE(StorageStrategy,boost,SequenceConcept);
+ typedef BTKSequence<T,StorageStrategy> self_type;
+ typedef BTKContainer<T,StorageStrategy> base_type;
+
+public:
+ IMPORT_BTK_CONTAINER_TYPES(base_type);
+
+ //! \group Constructors required by the STL Reversible Container Concept.
+ //@{
+
+ BTKSequence(self_type const & source) : base_type(source) {}
+ virtual ~BTKSequence() {}
+
+ //@}
+
+ //! \group Constructors required by the STL Sequence Concept.
+ //@{
+ BTKSequence(size_type n = 0, const_reference t = value_type()) :
+ base_type(n,t) {}
+
+ template <typename InputIterator>
+ BTKSequence(InputIterator i, InputIterator j) : base_type(i,j) {}
+
+ //@}
+
+ //! \group Methods required by the STL Sequence Concept
+ //@{
+
+ reference front() { return base_type::_storage.front(); }
+ const_reference front() const { return base_type::_storage.front(); }
+
+ virtual iterator insert(iterator p, const_reference t)
+ {
+ return base_type::_storage.insert(p,t);
+ }
+
+ virtual void insert(iterator p, size_type n, const_reference t)
+ {
+ base_type::_storage.insert(p,n,t);
+ }
+
+ template <typename InputIterator>
+ void insert(iterator p, InputIterator i, InputIterator j)
+ {
+ boost::function_requires<boost::InputIteratorConcept<InputIterator> >();
+ base_type::_storage.insert(p,i,j);
+ }
+
+ virtual iterator erase(iterator p) { return base_type::_storage.erase(p); }
+ virtual iterator erase(iterator p, iterator q)
+ { return base_type::_storage.erase(p,q); }
+
+ virtual void clear() { base_type::_storage.clear(); }
+
+ virtual void resize(size_type n, const_reference t = value_type())
+ { base_type::_storage.resize(n,t); }
+
+ //@}
+};
+
+// The declaration of the template function in this macro is a workaround
+// for g++ versions < 4, b/c they get pissy about using declarations w/
+// template member functions.
+#define IMPORT_BTK_SEQUENCE_METHODS(Sequence) \
+ using Sequence::front; \
+ using Sequence::insert; \
+ template <typename InputIterator> \
+ void insert(iterator p, InputIterator i, InputIterator j) \
+ { Sequence::insert(p,i,j); } \
+ using Sequence::erase; \
+ using Sequence::clear; \
+ using Sequence::resize;
+
+} // namespace UTILITY
+} // namespace BTK
+
+#endif // BTK_UTILITY_BTK_SEQUENCE_HPP
diff --git a/btk/core/utility/chemically_typed_object.hpp b/btk/core/utility/chemically_typed_object.hpp
new file mode 100644
index 0000000..c124e0e
--- /dev/null
+++ b/btk/core/utility/chemically_typed_object.hpp
@@ -0,0 +1,158 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+//! \file chemically_typed_object.hpp
+//! Definition of the ChemicallyTypedObject template class.
+
+#ifndef BTK_UTILITY_CHEMICALLY_TYPED_OBJECT_HPP
+#define BTK_UTILITY_CHEMICALLY_TYPED_OBJECT_HPP
+
+#include <string>
+#include <algorithm>
+
+#include <boost/operators.hpp>
+
+#include <btk/core/concepts/type_system_concept.hpp>
+
+namespace BTK {
+namespace UTILITY {
+
+//! \brief A base class for objects that need to conform to the
+//! \ref chemically_typed_concept "ChemicallyTyped" concept.
+//!
+//! This is a base class useful for implementing types that
+//! need to model the
+//! \ref strictly_chemically_typed_concept "StrictlyChemicallyTyped"
+//! and \ref chemically_typed_concept "ChemicallyTyped" concepts.
+template <typename ChemicalTypeSystemType,
+ typename DictionaryType>
+class ChemicallyTypedObject :
+ protected boost::less_than_comparable<ChemicallyTypedObject<ChemicalTypeSystemType,
+ DictionaryType> >
+{
+ BOOST_CLASS_REQUIRE(ChemicalTypeSystemType,BTK::CONCEPTS,TypeSystemConcept);
+ typedef ChemicallyTypedObject<ChemicalTypeSystemType,
+ DictionaryType> self_type;
+public:
+ typedef ChemicalTypeSystemType chemical_type_system;
+ typedef DictionaryType dictionary;
+ typedef typename dictionary::id_type id_type;
+
+ ChemicallyTypedObject(chemical_type_system const & ts = chemical_type_system(),
+ id_type t = id_type()):
+ _type_system(ts), _type(t) {}
+
+ ChemicallyTypedObject(self_type const & src) :
+ _type_system(src._type_system), _type(src._type) {}
+
+ virtual ~ChemicallyTypedObject() {}
+
+ //! Returns the chemical id type of the object.
+ id_type type() const { return _type; }
+
+ //! Returns the name of the object.
+ //! A "name," in this context, is a textual representation of the chemical
+ //! type (i.e. an atom name or a residue name). If the chemical type is
+ //! undefined or unknown, the empty string is returned.
+ std::string name() const
+ {
+ typename dictionary::const_iterator i = get_dictionary().find(_type);
+
+ if (i != get_dictionary().end()) return i->second;
+ return "";
+ }
+
+ //! Returns a const reference to the chemical type system for the object.
+ chemical_type_system const & get_chemical_type_system() const
+ {
+ return _type_system;
+ }
+
+ //! Returns a mutable reference to the chemical type system for the object.
+ chemical_type_system & get_chemical_type_system()
+ {
+ return _type_system;
+ }
+
+ virtual dictionary const & get_dictionary() const = 0;
+ virtual dictionary & get_dictionary() = 0;
+
+protected:
+
+ //! Set the chemical ID type of the object to a new value.
+ virtual void set_type(id_type t) { _type = t; }
+
+ //! Set a new chemical type system for the object.
+ virtual void set_chemical_type_system(chemical_type_system const & ts)
+ {
+ _type_system = ts;
+ }
+
+ self_type const & operator=(self_type const & src)
+ {
+ if (this == &src) return *this;
+ _type_system = src._type_system;
+ _type = src._type;
+ return *this;
+ }
+
+ void swap(self_type & rhs)
+ {
+ std::swap(_type_system,rhs._type_system);
+ std::swap(_type,rhs._type);
+ }
+
+ //! Comparison operators.
+ //! Note: the full EqualityComparable and LessThanComparable concepts are
+ //! supported through the use of the boost::operators template classes.
+ //! These operators are protected, in order to prevent unintentional
+ //! heterogeneous type comparisons.
+ //@{
+ bool operator==(self_type const & rhs) const
+ {
+ return (_type_system == rhs._type_system &&
+ _type == rhs._type);
+ }
+
+ bool operator!=(self_type const & rhs) const
+ {
+ return !(*this == rhs);
+ }
+
+ bool operator<(self_type const & rhs) const
+ {
+ return (_type_system == rhs._type_system &&
+ _type < rhs._type);
+ }
+ //@}
+
+private:
+ chemical_type_system _type_system;
+ id_type _type;
+};
+
+#define IMPORT_CHEMICALLY_TYPED_OBJECT_TYPES(CTOType) \
+ typedef typename CTOType::chemical_type_system chemical_type_system; \
+ typedef typename CTOType::dictionary dictionary; \
+ typedef typename CTOType::id_type id_type;
+
+} // UTILITY
+} // BTK
+
+#endif //BTK_UTILITY_CHEMICALLY_TYPED_OBJECT_HPP
diff --git a/btk/core/utility/grouped_element_iterator.hpp b/btk/core/utility/grouped_element_iterator.hpp
new file mode 100644
index 0000000..d263cef
--- /dev/null
+++ b/btk/core/utility/grouped_element_iterator.hpp
@@ -0,0 +1,382 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005-2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+//! \file grouped_element_iterator.hpp
+//! \brief Definition of GroupedElementIterator class.
+
+#ifndef BTK_UTILITY_GROUPED_ELEMENT_ITERATOR_HPP
+#define BTK_UTILITY_GROUPED_ELEMENT_ITERATOR_HPP
+
+#include <boost/type_traits/is_convertible.hpp>
+#include <boost/utility/enable_if.hpp>
+#include <boost/iterator/iterator_facade.hpp>
+
+#include <btk/core/common/debugging.hpp>
+#include <btk/core/common/assertions.hpp>
+
+namespace BTK {
+namespace UTILITY {
+
+//! A class for direct iteration over containers of containers of objects.
+//!
+//! This iterator allows the iteration over containers of containers
+//! (groups) of elements, as if the elements were stored contiguously
+//! in a single container. It is a true Bidirectional Iterator, and thus
+//! supports forward and backward iteration over every element in a
+//! defined range. Past-the-end iteration is undefined.
+//!
+//! Four template arguments are required:
+//! - GroupIterator The iterator type of the container of "groups".
+//! - ElementIterator The iterator type of the "groups" themselves.
+//! - GroupType The type of the "groups".
+//! - ElementType The type of the elements being iterated.
+//!
+template <typename GroupIterator,
+ typename ElementIterator,
+ typename GroupType,
+ typename ElementType>
+class GroupedElementIterator : public
+ boost::iterator_facade<GroupedElementIterator<GroupIterator,
+ ElementIterator,
+ GroupType,
+ ElementType>,
+ ElementType, boost::bidirectional_traversal_tag>
+{
+
+#ifndef DOXYGEN_SHOULD_SKIP_THIS
+ // This template friend declaration is necessary to allow interoperation
+ // with GroupedElementIterators that have const referent types.
+ // (yes, this is the approach recommended in the docs for
+ // the boost::iterator_facade class!)
+ template <typename A, typename B, typename C, typename D>
+ friend class GroupedElementIterator;
+
+ // This is a reimplementation of std::mem_fun_ref_t, with the addition
+ // of a default constructor, and debug checks for null-pointer dereferencing.
+ //
+ // This is necessary b/c iterators must be default constructible, and
+ // it is impossible to default construct std::mem_fun_ref_t, making it
+ // impossible to default construct a GroupedElementIterator when implemented
+ // using std::mem_fun_ref_t.
+ template <class Ret, class T>
+ class dc_mem_fun_ref
+ {
+ typedef Ret (T::*func_ptr)();
+
+ public:
+ dc_mem_fun_ref() : func(static_cast<func_ptr>(0)) {}
+ explicit dc_mem_fun_ref(func_ptr fp) : func(fp) {}
+ Ret operator()(T & r) const
+ {
+ // If you get this error message, you are most likely trying to
+ // increment/decrement an uninitialized GroupedElementIterator.
+ BTK_ASSERT(func != static_cast<func_ptr>(0),
+ "Null ptr dereference in GroupedElementIterator::def_cons_mem_fun_ref");
+ return (r.*func)();
+ }
+
+ private:
+ func_ptr func;
+ };
+#endif // DOXYGEN_SHOULD_SKIP_THIS
+
+ public:
+
+ //! Default Constructor.
+ //!
+ //! By default, the iterator is initialized so as to minimize the
+ //! chance of NULL-ptr dereferences. Practically, this means that
+ //! you shouldn't count on pointer-like behaviour when iterating on
+ //! default-constructed (or past-the-end) GroupedElementIterator objects.
+ //!
+ GroupedElementIterator()
+ {
+ // set sensible defaults to minimize the chance of NULL-ptr
+ // dereferences if increment() or decrement() are called on
+ // a default-constructed iterator.
+ _cur_group = _group_container_end = _group_container_begin;
+ _cur_element = _group_begin = _group_end;
+ }
+
+ //! Construct GroupedElementIterators from a range of element groups.
+ //@{
+ GroupedElementIterator(GroupIterator begin,
+ GroupIterator end,
+ ElementIterator (GroupType::*group_begin_fun) (),
+ ElementIterator (GroupType::*group_end_fun) (),
+ bool at_end = false) :
+ _cur_group(begin), _group_container_begin(begin), _group_container_end(end),
+ _cur_element(), _group_begin(), _group_end(),
+ _group_begin_fun(group_begin_fun),
+ _group_end_fun(group_end_fun)
+ {
+ initialize(begin,end,at_end);
+ }
+
+ GroupedElementIterator(GroupIterator begin,
+ GroupIterator end,
+ bool at_end = false) :
+ _cur_group(begin), _group_container_begin(begin), _group_container_end(end),
+ _cur_element(), _group_begin(), _group_end(),
+ _group_begin_fun(&GroupType::begin),
+ _group_end_fun(&GroupType::end)
+ {
+ initialize(begin,end,at_end);
+ }
+ //@}
+
+ //! \brief Generic conversion constructor.
+ //!
+ //! This allows GroupedElementIterator objects
+ //! with a constant referent to be constructed from GroupedElementIterator objects
+ //! with a non-constant referent (or, in english, to allow const_iterator types
+ //! to be constructed from iterator types).
+ //!
+ //! The constructor can be called with any instance of GroupedElementIterator
+ //! whose template parameters are convertible to the template parameters of this
+ //! class (use of boost::enable_if prevents calls to this constructor with
+ //! template arguments that are not convertible).
+ //!
+ //! Optionally, two additional arguments can be provided to pass function
+ //! pointers that return the begin and end iterators for each group in the
+ //! range (the GroupType::begin() and GroupType::end() methods are used
+ //! by default -- arguments 2 and 3 allow different methods to be specified).
+ //!
+ template <typename GI, typename EI, typename GT, typename ET>
+ GroupedElementIterator(GroupedElementIterator<GI,EI,GT,ET> const & other,
+ ElementIterator (GroupType::*group_begin_fun) () =
+ &GroupType::begin,
+ ElementIterator (GroupType::*group_end_fun) () =
+ &GroupType::end,
+ typename boost::enable_if<
+ boost::is_convertible<GI,GroupIterator>
+ >::type * d1 = 0,
+ typename boost::enable_if<
+ boost::is_convertible<EI,ElementIterator>
+ >::type * d2 = 0,
+ typename boost::enable_if<
+ boost::is_convertible<GT,GroupType>
+ >::type * d3 = 0,
+ typename boost::enable_if<
+ boost::is_convertible<ET,ElementType>
+ >::type * d4 = 0) :
+ _cur_group(other._cur_group),
+ _group_container_begin(other._group_container_begin),
+ _group_container_end(other._group_container_end),
+ _cur_element(other._cur_element),
+ _group_begin(other._group_begin),
+ _group_end(other._group_end),
+ _group_begin_fun(group_begin_fun),
+ _group_end_fun(group_end_fun) {}
+
+ friend std::ostream & operator<<(std::ostream & os,
+ GroupedElementIterator<GroupIterator,
+ ElementIterator,
+ GroupType,
+ ElementType> const & gei)
+ {
+ os << "GroupedElementIterator: " << std::endl
+ << " _cur_element: " << &*gei._cur_element << std::endl
+ << " _group_begin: " << &*gei._group_begin << std::endl
+ << " _group_end: " << &*gei._group_end << std::endl
+ << " _cur_group: " << &*gei._cur_group << std::endl
+ << " _group_container_begin: " << &*gei._group_container_begin << std::endl
+ << " _group_container_end: " << &*gei._group_container_end << std::endl;
+
+ return os;
+ }
+
+ private:
+ friend class boost::iterator_core_access;
+
+ void initialize(GroupIterator begin,
+ GroupIterator end,
+ bool at_end)
+ {
+ BTK_ASSERT((begin != end),
+ "Attempt to create GroupedElementIterator from 0-element range!");
+
+ if (at_end) { // construct an "end" iterator.
+ // set the current element, group begin/end to what they would be
+ // had we iterated to the end-of-range.
+ _cur_group = end;
+ --_cur_group;
+ _group_begin = _group_begin_fun(*_cur_group);
+ _group_end = _group_end_fun(*_cur_group);
+ _cur_element = _group_end;
+
+ // set the current group to the true "end" group.
+ _cur_group = end;
+ } else { // construct a normal iterator (not at end)
+ _cur_element = _group_begin_fun(*_cur_group);
+ _group_begin = _cur_element;
+ _group_end = _group_end_fun(*_cur_group);
+
+ // if the current group is empty, advance to the first
+ // element in a non-empty group. This has to be done here,
+ // because otherwise you can get the anomalous result of 1
+ // successful increment for an empty list.
+ if (_group_begin == _group_end) increment();
+ }
+ }
+
+ void increment()
+ {
+ TRACE_OUT << "In GroupedElementIterator::increment():" << std::endl;
+
+ // advance by 1 element
+ if (_cur_element == _group_end || ++_cur_element == _group_end) {
+ // advancing puts us at the end of the current group -- change groups
+
+ TRACE_OUT << " Advanced one element ("
+ << "_cur_element=" << &*_cur_element
+ << ", _group_end=" << &*_group_end
+ << ")" << std::endl;
+
+ if (_cur_group != _group_container_end &&
+ ++_cur_group != _group_container_end) {
+ // normal case: go to next group
+ _group_begin = _group_begin_fun(*_cur_group);
+ _group_end = _group_end_fun(*_cur_group);
+ _cur_element = _group_begin;
+
+ TRACE_OUT << " Advanced one group ("
+ << "_cur_group=" << &*_cur_group
+ << ", _group_begin=" << &*_group_begin
+ << ", _group_end=" << &*_group_end
+ << ")" << std::endl;
+
+ // if the new group is empty, advance again.
+ if (_group_begin == _group_end) {
+ TRACE_OUT << " New group is empty! Re-calling increment()..." << std::endl;
+ increment();
+ }
+ } else {
+ // terminal case: next group (or current group) is the end
+ _cur_group = _group_container_end;
+ _cur_element = _group_end;
+
+ TRACE_OUT << " Can't move forward -- at last group ("
+ << "_cur_group=" << &*_cur_group
+ << ", _group_end=" << &*_group_end
+ << ")" << std::endl;
+ }
+ }
+ }
+
+ void decrement()
+ {
+ TRACE_OUT << "In GroupedElementIterator::decrement():" << std::endl;
+
+ if (_cur_element == _group_begin) {
+ // at the beginning of the current group.
+ TRACE_OUT << " At group beginning ("
+ << "_cur_element=_group_begin="
+ << &*_group_begin
+ << ", _cur_group=" << &*_cur_group
+ << ")" << std::endl;
+
+ if (_cur_group != _group_container_begin) {
+ // normal case: go to previous group.
+ --_cur_group;
+ _group_begin = _group_begin_fun(*_cur_group);
+ _group_end = _group_end_fun(*_cur_group);
+
+ TRACE_OUT << " Moved one group back ("
+ << "_cur_group=" << &*_cur_group
+ << ", _group_begin=" << &*_group_begin
+ << ", _group_end=" << &*_group_end
+ << ")" << std::endl;
+
+ // if new group is empty, decrement again.
+ if (_group_begin == _group_end) {
+ TRACE_OUT << " New group is empty! Re-calling deccrement()..." << std::endl;
+ decrement();
+ } else {
+ // group not empty -- go to last element in group.
+ _cur_element = --(_group_end_fun(*_cur_group));
+ }
+ } else {
+ // terminal case: previous group (or current group) is past the beginning
+ _cur_group = _group_container_begin;
+ _cur_element = _group_begin;
+
+ TRACE_OUT << " Can't move back -- at first group ("
+ << "_cur_group=" << &*_cur_group
+ << ", _group_begin=" << &*_group_begin
+ << ")" << std::endl;
+ }
+ } else {
+ // not at beginning of current group -- OK to retreat by one element
+ --_cur_element;
+
+ // special case: current iterator is "end" iterator, and we're moving
+ // it backwards. Need to move the group iterator back by one.
+ if (_cur_group == _group_container_end) --_cur_group;
+
+ TRACE_OUT << " Moved back one element ("
+ << "_cur_element=" << &*_cur_element
+ << ", _group_begin=" << &*_group_begin
+ << ", _cur_group=" << &*_cur_group
+ << ")" << std::endl;
+ }
+ }
+
+ ElementType & dereference() const
+ {
+ return *_cur_element;
+ }
+
+
+ template <typename GI, typename EI, typename GT, typename ET>
+ bool equal(GroupedElementIterator<GI,EI,GT,ET> const & rhs) const
+ {
+ TRACE_OUT << "In GroupedElementIterator::equal():" << std::endl
+ << " _cur_element: LHS=" << &*_cur_element
+ << ", RHS=" << &*rhs._cur_element << std::endl
+ << " _cur_group: LHS=" << &*_cur_group
+ << ", RHS=" << &*rhs._cur_group << std::endl;
+
+ // "normal" equality test -- are element and group
+ // iterators the same? if so, the iterator is equal.
+ if (_cur_element == rhs._cur_element &&
+ _cur_group == rhs._cur_group) return true;
+
+ TRACE_OUT << " NOT equal." << std::endl;
+
+ return false;
+ }
+
+ GroupIterator _cur_group;
+ GroupIterator _group_container_begin;
+ GroupIterator _group_container_end;
+
+ ElementIterator _cur_element;
+ ElementIterator _group_begin;
+ ElementIterator _group_end;
+
+ dc_mem_fun_ref<ElementIterator,GroupType> _group_begin_fun;
+ dc_mem_fun_ref<ElementIterator,GroupType> _group_end_fun;
+};
+
+} // namespace UTILITY
+} // namespace BTK
+
+#endif
diff --git a/btk/core/utility/type_id.hpp b/btk/core/utility/type_id.hpp
new file mode 100644
index 0000000..4300168
--- /dev/null
+++ b/btk/core/utility/type_id.hpp
@@ -0,0 +1,110 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+/// \file type_id.hpp
+/// Definition of the TypeID mixin base class.
+
+#ifndef BTK_UTILITY_TYPE_ID_HPP
+#define BTK_UTILITY_TYPE_ID_HPP
+
+#include <ostream>
+
+namespace BTK {
+namespace UTILITY {
+
+/// \brief TypeID is a mixin-base class for defining ID types.
+///
+/// It is frequently a pain to define a new ID type for a given purpose,
+/// because a number of operators and constructors need to be written
+/// for each ID type. This class is a tool to speed up this process.
+/// Essentially, the author of a new ID type need only derive from this
+/// class, with the new ID type as the first template parameter.
+template <typename T, typename V = int>
+class TypeID
+{
+ public:
+ typedef TypeID<T,V> self_type;
+
+ TypeID(self_type const & src) : _value(src._value) {}
+
+ /// \brief The destructor for this class is intentionally non-virtual.
+ /// TypeID is intended to be a lightweight class. Vtables are inappropriate.
+ ~TypeID() {}
+
+ /// \brief Implicit conversion to value type.
+ operator V() const { return _value; }
+
+ bool operator==(self_type const & rhs) const
+ {
+ return _value == rhs._value;
+ }
+
+ bool operator!=(self_type const & rhs) const
+ {
+ return _value != rhs._value;
+ }
+
+ bool operator<(self_type const & rhs) const
+ {
+ return _value < rhs._value;
+ }
+
+ bool operator<=(self_type const & rhs) const
+ {
+ return _value <= rhs._value;
+ }
+
+ bool operator>(self_type const & rhs) const
+ {
+ return _value > rhs._value;
+ }
+
+ bool operator>=(self_type const & rhs) const
+ {
+ return _value >= rhs._value;
+ }
+
+ self_type & operator=(self_type const & rhs)
+ {
+ _value = rhs._value;
+ return *this;
+ }
+
+ friend std::ostream & operator<<(std::ostream & os,
+ self_type const & t)
+ {
+ os << t._value;
+ return os;
+ }
+
+protected:
+ TypeID(V value) : _value(value) {}
+
+ void increment() { ++_value; }
+ void decrement() { --_value; }
+
+private:
+ V _value;
+};
+
+} // namespace UTILITY
+} // namespace BTK
+
+#endif
diff --git a/btk/core/utility/type_id_traits.hpp b/btk/core/utility/type_id_traits.hpp
new file mode 100644
index 0000000..14df834
--- /dev/null
+++ b/btk/core/utility/type_id_traits.hpp
@@ -0,0 +1,67 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_UTILITY_TYPE_ID_TRAITS_HPP
+#define BTK_UTILITY_TYPE_ID_TRAITS_HPP
+
+#include <limits>
+
+namespace BTK {
+namespace UTILITY {
+
+template <typename ID>
+struct TypeIDTraits
+{
+ static const bool dynamic;
+
+ static ID first();
+ static ID last();
+ static ID unknown();
+ static ID next(ID id);
+};
+
+template <>
+struct TypeIDTraits<int>
+{
+ static const bool dynamic = true;
+
+ static int first() { return 0; }
+ static int last() { return std::numeric_limits<int>::max()-1; }
+ static int unknown() { return std::numeric_limits<int>::max(); }
+
+ static int next(int id) { return ++id; }
+};
+
+template <>
+struct TypeIDTraits<unsigned>
+{
+ static const bool dynamic = true;
+
+ static unsigned first() { return std::numeric_limits<unsigned>::min(); }
+ static unsigned last() { return std::numeric_limits<unsigned>::max()-1; }
+ static unsigned unknown() { return std::numeric_limits<unsigned>::max(); }
+
+ static unsigned next(unsigned id) { return ++id; }
+};
+
+} // UTILITY
+} // BTK
+
+#endif
diff --git a/configure b/configure
new file mode 100755
index 0000000..04a2b5f
--- /dev/null
+++ b/configure
@@ -0,0 +1,5705 @@
+#! /bin/sh
+# Guess values for system-dependent variables and create Makefiles.
+# Generated by GNU Autoconf 2.57 for btk_core 0.8.1.
+#
+# Report bugs to <btk-bugs at lists.sf.net>.
+#
+# Copyright 1992, 1993, 1994, 1995, 1996, 1998, 1999, 2000, 2001, 2002
+# Free Software Foundation, Inc.
+# This configure script is free software; the Free Software Foundation
+# gives unlimited permission to copy, distribute and modify it.
+## --------------------- ##
+## M4sh Initialization. ##
+## --------------------- ##
+
+# Be Bourne compatible
+if test -n "${ZSH_VERSION+set}" && (emulate sh) >/dev/null 2>&1; then
+ emulate sh
+ NULLCMD=:
+ # Zsh 3.x and 4.x performs word splitting on ${1+"$@"}, which
+ # is contrary to our usage. Disable this feature.
+ alias -g '${1+"$@"}'='"$@"'
+elif test -n "${BASH_VERSION+set}" && (set -o posix) >/dev/null 2>&1; then
+ set -o posix
+fi
+
+# Support unset when possible.
+if (FOO=FOO; unset FOO) >/dev/null 2>&1; then
+ as_unset=unset
+else
+ as_unset=false
+fi
+
+
+# Work around bugs in pre-3.0 UWIN ksh.
+$as_unset ENV MAIL MAILPATH
+PS1='$ '
+PS2='> '
+PS4='+ '
+
+# NLS nuisances.
+for as_var in \
+ LANG LANGUAGE LC_ADDRESS LC_ALL LC_COLLATE LC_CTYPE LC_IDENTIFICATION \
+ LC_MEASUREMENT LC_MESSAGES LC_MONETARY LC_NAME LC_NUMERIC LC_PAPER \
+ LC_TELEPHONE LC_TIME
+do
+ if (set +x; test -n "`(eval $as_var=C; export $as_var) 2>&1`"); then
+ eval $as_var=C; export $as_var
+ else
+ $as_unset $as_var
+ fi
+done
+
+# Required to use basename.
+if expr a : '\(a\)' >/dev/null 2>&1; then
+ as_expr=expr
+else
+ as_expr=false
+fi
+
+if (basename /) >/dev/null 2>&1 && test "X`basename / 2>&1`" = "X/"; then
+ as_basename=basename
+else
+ as_basename=false
+fi
+
+
+# Name of the executable.
+as_me=`$as_basename "$0" ||
+$as_expr X/"$0" : '.*/\([^/][^/]*\)/*$' \| \
+ X"$0" : 'X\(//\)$' \| \
+ X"$0" : 'X\(/\)$' \| \
+ . : '\(.\)' 2>/dev/null ||
+echo X/"$0" |
+ sed '/^.*\/\([^/][^/]*\)\/*$/{ s//\1/; q; }
+ /^X\/\(\/\/\)$/{ s//\1/; q; }
+ /^X\/\(\/\).*/{ s//\1/; q; }
+ s/.*/./; q'`
+
+
+# PATH needs CR, and LINENO needs CR and PATH.
+# Avoid depending upon Character Ranges.
+as_cr_letters='abcdefghijklmnopqrstuvwxyz'
+as_cr_LETTERS='ABCDEFGHIJKLMNOPQRSTUVWXYZ'
+as_cr_Letters=$as_cr_letters$as_cr_LETTERS
+as_cr_digits='0123456789'
+as_cr_alnum=$as_cr_Letters$as_cr_digits
+
+# The user is always right.
+if test "${PATH_SEPARATOR+set}" != set; then
+ echo "#! /bin/sh" >conf$$.sh
+ echo "exit 0" >>conf$$.sh
+ chmod +x conf$$.sh
+ if (PATH="/nonexistent;."; conf$$.sh) >/dev/null 2>&1; then
+ PATH_SEPARATOR=';'
+ else
+ PATH_SEPARATOR=:
+ fi
+ rm -f conf$$.sh
+fi
+
+
+ as_lineno_1=$LINENO
+ as_lineno_2=$LINENO
+ as_lineno_3=`(expr $as_lineno_1 + 1) 2>/dev/null`
+ test "x$as_lineno_1" != "x$as_lineno_2" &&
+ test "x$as_lineno_3" = "x$as_lineno_2" || {
+ # Find who we are. Look in the path if we contain no path at all
+ # relative or not.
+ case $0 in
+ *[\\/]* ) as_myself=$0 ;;
+ *) as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ test -r "$as_dir/$0" && as_myself=$as_dir/$0 && break
+done
+
+ ;;
+ esac
+ # We did not find ourselves, most probably we were run as `sh COMMAND'
+ # in which case we are not to be found in the path.
+ if test "x$as_myself" = x; then
+ as_myself=$0
+ fi
+ if test ! -f "$as_myself"; then
+ { echo "$as_me: error: cannot find myself; rerun with an absolute path" >&2
+ { (exit 1); exit 1; }; }
+ fi
+ case $CONFIG_SHELL in
+ '')
+ as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in /bin$PATH_SEPARATOR/usr/bin$PATH_SEPARATOR$PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ for as_base in sh bash ksh sh5; do
+ case $as_dir in
+ /*)
+ if ("$as_dir/$as_base" -c '
+ as_lineno_1=$LINENO
+ as_lineno_2=$LINENO
+ as_lineno_3=`(expr $as_lineno_1 + 1) 2>/dev/null`
+ test "x$as_lineno_1" != "x$as_lineno_2" &&
+ test "x$as_lineno_3" = "x$as_lineno_2" ') 2>/dev/null; then
+ $as_unset BASH_ENV || test "${BASH_ENV+set}" != set || { BASH_ENV=; export BASH_ENV; }
+ $as_unset ENV || test "${ENV+set}" != set || { ENV=; export ENV; }
+ CONFIG_SHELL=$as_dir/$as_base
+ export CONFIG_SHELL
+ exec "$CONFIG_SHELL" "$0" ${1+"$@"}
+ fi;;
+ esac
+ done
+done
+;;
+ esac
+
+ # Create $as_me.lineno as a copy of $as_myself, but with $LINENO
+ # uniformly replaced by the line number. The first 'sed' inserts a
+ # line-number line before each line; the second 'sed' does the real
+ # work. The second script uses 'N' to pair each line-number line
+ # with the numbered line, and appends trailing '-' during
+ # substitution so that $LINENO is not a special case at line end.
+ # (Raja R Harinath suggested sed '=', and Paul Eggert wrote the
+ # second 'sed' script. Blame Lee E. McMahon for sed's syntax. :-)
+ sed '=' <$as_myself |
+ sed '
+ N
+ s,$,-,
+ : loop
+ s,^\(['$as_cr_digits']*\)\(.*\)[$]LINENO\([^'$as_cr_alnum'_]\),\1\2\1\3,
+ t loop
+ s,-$,,
+ s,^['$as_cr_digits']*\n,,
+ ' >$as_me.lineno &&
+ chmod +x $as_me.lineno ||
+ { echo "$as_me: error: cannot create $as_me.lineno; rerun with a POSIX shell" >&2
+ { (exit 1); exit 1; }; }
+
+ # Don't try to exec as it changes $[0], causing all sort of problems
+ # (the dirname of $[0] is not the place where we might find the
+ # original and so on. Autoconf is especially sensible to this).
+ . ./$as_me.lineno
+ # Exit status is that of the last command.
+ exit
+}
+
+
+case `echo "testing\c"; echo 1,2,3`,`echo -n testing; echo 1,2,3` in
+ *c*,-n*) ECHO_N= ECHO_C='
+' ECHO_T=' ' ;;
+ *c*,* ) ECHO_N=-n ECHO_C= ECHO_T= ;;
+ *) ECHO_N= ECHO_C='\c' ECHO_T= ;;
+esac
+
+if expr a : '\(a\)' >/dev/null 2>&1; then
+ as_expr=expr
+else
+ as_expr=false
+fi
+
+rm -f conf$$ conf$$.exe conf$$.file
+echo >conf$$.file
+if ln -s conf$$.file conf$$ 2>/dev/null; then
+ # We could just check for DJGPP; but this test a) works b) is more generic
+ # and c) will remain valid once DJGPP supports symlinks (DJGPP 2.04).
+ if test -f conf$$.exe; then
+ # Don't use ln at all; we don't have any links
+ as_ln_s='cp -p'
+ else
+ as_ln_s='ln -s'
+ fi
+elif ln conf$$.file conf$$ 2>/dev/null; then
+ as_ln_s=ln
+else
+ as_ln_s='cp -p'
+fi
+rm -f conf$$ conf$$.exe conf$$.file
+
+if mkdir -p . 2>/dev/null; then
+ as_mkdir_p=:
+else
+ as_mkdir_p=false
+fi
+
+as_executable_p="test -f"
+
+# Sed expression to map a string onto a valid CPP name.
+as_tr_cpp="sed y%*$as_cr_letters%P$as_cr_LETTERS%;s%[^_$as_cr_alnum]%_%g"
+
+# Sed expression to map a string onto a valid variable name.
+as_tr_sh="sed y%*+%pp%;s%[^_$as_cr_alnum]%_%g"
+
+
+# IFS
+# We need space, tab and new line, in precisely that order.
+as_nl='
+'
+IFS=" $as_nl"
+
+# CDPATH.
+$as_unset CDPATH
+
+
+# Name of the host.
+# hostname on some systems (SVR3.2, Linux) returns a bogus exit status,
+# so uname gets run too.
+ac_hostname=`(hostname || uname -n) 2>/dev/null | sed 1q`
+
+exec 6>&1
+
+#
+# Initializations.
+#
+ac_default_prefix=/usr/local
+ac_config_libobj_dir=.
+cross_compiling=no
+subdirs=
+MFLAGS=
+MAKEFLAGS=
+SHELL=${CONFIG_SHELL-/bin/sh}
+
+# Maximum number of lines to put in a shell here document.
+# This variable seems obsolete. It should probably be removed, and
+# only ac_max_sed_lines should be used.
+: ${ac_max_here_lines=38}
+
+# Identity of this package.
+PACKAGE_NAME='btk_core'
+PACKAGE_TARNAME='btk_core'
+PACKAGE_VERSION='0.8.1'
+PACKAGE_STRING='btk_core 0.8.1'
+PACKAGE_BUGREPORT='btk-bugs at lists.sf.net'
+
+ac_unique_file="btk/core/atoms/atom.hpp"
+# Factoring default headers for most tests.
+ac_includes_default="\
+#include <stdio.h>
+#if HAVE_SYS_TYPES_H
+# include <sys/types.h>
+#endif
+#if HAVE_SYS_STAT_H
+# include <sys/stat.h>
+#endif
+#if STDC_HEADERS
+# include <stdlib.h>
+# include <stddef.h>
+#else
+# if HAVE_STDLIB_H
+# include <stdlib.h>
+# endif
+#endif
+#if HAVE_STRING_H
+# if !STDC_HEADERS && HAVE_MEMORY_H
+# include <memory.h>
+# endif
+# include <string.h>
+#endif
+#if HAVE_STRINGS_H
+# include <strings.h>
+#endif
+#if HAVE_INTTYPES_H
+# include <inttypes.h>
+#else
+# if HAVE_STDINT_H
+# include <stdint.h>
+# endif
+#endif
+#if HAVE_UNISTD_H
+# include <unistd.h>
+#endif"
+
+ac_subst_vars='SHELL PATH_SEPARATOR PACKAGE_NAME PACKAGE_TARNAME PACKAGE_VERSION PACKAGE_STRING PACKAGE_BUGREPORT exec_prefix prefix program_transform_name bindir sbindir libexecdir datadir sysconfdir sharedstatedir localstatedir libdir includedir oldincludedir infodir mandir build_alias host_alias target_alias DEFS ECHO_C ECHO_N ECHO_T LIBS INSTALL_PROGRAM INSTALL_SCRIPT INSTALL_DATA PACKAGE VERSION ACLOCAL AUTOCONF AUTOMAKE AUTOHEADER MAKEINFO AMTAR install_sh STRIP ac_ct_STRIP INSTALL [...]
+ac_subst_files=''
+
+# Initialize some variables set by options.
+ac_init_help=
+ac_init_version=false
+# The variables have the same names as the options, with
+# dashes changed to underlines.
+cache_file=/dev/null
+exec_prefix=NONE
+no_create=
+no_recursion=
+prefix=NONE
+program_prefix=NONE
+program_suffix=NONE
+program_transform_name=s,x,x,
+silent=
+site=
+srcdir=
+verbose=
+x_includes=NONE
+x_libraries=NONE
+
+# Installation directory options.
+# These are left unexpanded so users can "make install exec_prefix=/foo"
+# and all the variables that are supposed to be based on exec_prefix
+# by default will actually change.
+# Use braces instead of parens because sh, perl, etc. also accept them.
+bindir='${exec_prefix}/bin'
+sbindir='${exec_prefix}/sbin'
+libexecdir='${exec_prefix}/libexec'
+datadir='${prefix}/share'
+sysconfdir='${prefix}/etc'
+sharedstatedir='${prefix}/com'
+localstatedir='${prefix}/var'
+libdir='${exec_prefix}/lib'
+includedir='${prefix}/include'
+oldincludedir='/usr/include'
+infodir='${prefix}/info'
+mandir='${prefix}/man'
+
+ac_prev=
+for ac_option
+do
+ # If the previous option needs an argument, assign it.
+ if test -n "$ac_prev"; then
+ eval "$ac_prev=\$ac_option"
+ ac_prev=
+ continue
+ fi
+
+ ac_optarg=`expr "x$ac_option" : 'x[^=]*=\(.*\)'`
+
+ # Accept the important Cygnus configure options, so we can diagnose typos.
+
+ case $ac_option in
+
+ -bindir | --bindir | --bindi | --bind | --bin | --bi)
+ ac_prev=bindir ;;
+ -bindir=* | --bindir=* | --bindi=* | --bind=* | --bin=* | --bi=*)
+ bindir=$ac_optarg ;;
+
+ -build | --build | --buil | --bui | --bu)
+ ac_prev=build_alias ;;
+ -build=* | --build=* | --buil=* | --bui=* | --bu=*)
+ build_alias=$ac_optarg ;;
+
+ -cache-file | --cache-file | --cache-fil | --cache-fi \
+ | --cache-f | --cache- | --cache | --cach | --cac | --ca | --c)
+ ac_prev=cache_file ;;
+ -cache-file=* | --cache-file=* | --cache-fil=* | --cache-fi=* \
+ | --cache-f=* | --cache-=* | --cache=* | --cach=* | --cac=* | --ca=* | --c=*)
+ cache_file=$ac_optarg ;;
+
+ --config-cache | -C)
+ cache_file=config.cache ;;
+
+ -datadir | --datadir | --datadi | --datad | --data | --dat | --da)
+ ac_prev=datadir ;;
+ -datadir=* | --datadir=* | --datadi=* | --datad=* | --data=* | --dat=* \
+ | --da=*)
+ datadir=$ac_optarg ;;
+
+ -disable-* | --disable-*)
+ ac_feature=`expr "x$ac_option" : 'x-*disable-\(.*\)'`
+ # Reject names that are not valid shell variable names.
+ expr "x$ac_feature" : ".*[^-_$as_cr_alnum]" >/dev/null &&
+ { echo "$as_me: error: invalid feature name: $ac_feature" >&2
+ { (exit 1); exit 1; }; }
+ ac_feature=`echo $ac_feature | sed 's/-/_/g'`
+ eval "enable_$ac_feature=no" ;;
+
+ -enable-* | --enable-*)
+ ac_feature=`expr "x$ac_option" : 'x-*enable-\([^=]*\)'`
+ # Reject names that are not valid shell variable names.
+ expr "x$ac_feature" : ".*[^-_$as_cr_alnum]" >/dev/null &&
+ { echo "$as_me: error: invalid feature name: $ac_feature" >&2
+ { (exit 1); exit 1; }; }
+ ac_feature=`echo $ac_feature | sed 's/-/_/g'`
+ case $ac_option in
+ *=*) ac_optarg=`echo "$ac_optarg" | sed "s/'/'\\\\\\\\''/g"`;;
+ *) ac_optarg=yes ;;
+ esac
+ eval "enable_$ac_feature='$ac_optarg'" ;;
+
+ -exec-prefix | --exec_prefix | --exec-prefix | --exec-prefi \
+ | --exec-pref | --exec-pre | --exec-pr | --exec-p | --exec- \
+ | --exec | --exe | --ex)
+ ac_prev=exec_prefix ;;
+ -exec-prefix=* | --exec_prefix=* | --exec-prefix=* | --exec-prefi=* \
+ | --exec-pref=* | --exec-pre=* | --exec-pr=* | --exec-p=* | --exec-=* \
+ | --exec=* | --exe=* | --ex=*)
+ exec_prefix=$ac_optarg ;;
+
+ -gas | --gas | --ga | --g)
+ # Obsolete; use --with-gas.
+ with_gas=yes ;;
+
+ -help | --help | --hel | --he | -h)
+ ac_init_help=long ;;
+ -help=r* | --help=r* | --hel=r* | --he=r* | -hr*)
+ ac_init_help=recursive ;;
+ -help=s* | --help=s* | --hel=s* | --he=s* | -hs*)
+ ac_init_help=short ;;
+
+ -host | --host | --hos | --ho)
+ ac_prev=host_alias ;;
+ -host=* | --host=* | --hos=* | --ho=*)
+ host_alias=$ac_optarg ;;
+
+ -includedir | --includedir | --includedi | --included | --include \
+ | --includ | --inclu | --incl | --inc)
+ ac_prev=includedir ;;
+ -includedir=* | --includedir=* | --includedi=* | --included=* | --include=* \
+ | --includ=* | --inclu=* | --incl=* | --inc=*)
+ includedir=$ac_optarg ;;
+
+ -infodir | --infodir | --infodi | --infod | --info | --inf)
+ ac_prev=infodir ;;
+ -infodir=* | --infodir=* | --infodi=* | --infod=* | --info=* | --inf=*)
+ infodir=$ac_optarg ;;
+
+ -libdir | --libdir | --libdi | --libd)
+ ac_prev=libdir ;;
+ -libdir=* | --libdir=* | --libdi=* | --libd=*)
+ libdir=$ac_optarg ;;
+
+ -libexecdir | --libexecdir | --libexecdi | --libexecd | --libexec \
+ | --libexe | --libex | --libe)
+ ac_prev=libexecdir ;;
+ -libexecdir=* | --libexecdir=* | --libexecdi=* | --libexecd=* | --libexec=* \
+ | --libexe=* | --libex=* | --libe=*)
+ libexecdir=$ac_optarg ;;
+
+ -localstatedir | --localstatedir | --localstatedi | --localstated \
+ | --localstate | --localstat | --localsta | --localst \
+ | --locals | --local | --loca | --loc | --lo)
+ ac_prev=localstatedir ;;
+ -localstatedir=* | --localstatedir=* | --localstatedi=* | --localstated=* \
+ | --localstate=* | --localstat=* | --localsta=* | --localst=* \
+ | --locals=* | --local=* | --loca=* | --loc=* | --lo=*)
+ localstatedir=$ac_optarg ;;
+
+ -mandir | --mandir | --mandi | --mand | --man | --ma | --m)
+ ac_prev=mandir ;;
+ -mandir=* | --mandir=* | --mandi=* | --mand=* | --man=* | --ma=* | --m=*)
+ mandir=$ac_optarg ;;
+
+ -nfp | --nfp | --nf)
+ # Obsolete; use --without-fp.
+ with_fp=no ;;
+
+ -no-create | --no-create | --no-creat | --no-crea | --no-cre \
+ | --no-cr | --no-c | -n)
+ no_create=yes ;;
+
+ -no-recursion | --no-recursion | --no-recursio | --no-recursi \
+ | --no-recurs | --no-recur | --no-recu | --no-rec | --no-re | --no-r)
+ no_recursion=yes ;;
+
+ -oldincludedir | --oldincludedir | --oldincludedi | --oldincluded \
+ | --oldinclude | --oldinclud | --oldinclu | --oldincl | --oldinc \
+ | --oldin | --oldi | --old | --ol | --o)
+ ac_prev=oldincludedir ;;
+ -oldincludedir=* | --oldincludedir=* | --oldincludedi=* | --oldincluded=* \
+ | --oldinclude=* | --oldinclud=* | --oldinclu=* | --oldincl=* | --oldinc=* \
+ | --oldin=* | --oldi=* | --old=* | --ol=* | --o=*)
+ oldincludedir=$ac_optarg ;;
+
+ -prefix | --prefix | --prefi | --pref | --pre | --pr | --p)
+ ac_prev=prefix ;;
+ -prefix=* | --prefix=* | --prefi=* | --pref=* | --pre=* | --pr=* | --p=*)
+ prefix=$ac_optarg ;;
+
+ -program-prefix | --program-prefix | --program-prefi | --program-pref \
+ | --program-pre | --program-pr | --program-p)
+ ac_prev=program_prefix ;;
+ -program-prefix=* | --program-prefix=* | --program-prefi=* \
+ | --program-pref=* | --program-pre=* | --program-pr=* | --program-p=*)
+ program_prefix=$ac_optarg ;;
+
+ -program-suffix | --program-suffix | --program-suffi | --program-suff \
+ | --program-suf | --program-su | --program-s)
+ ac_prev=program_suffix ;;
+ -program-suffix=* | --program-suffix=* | --program-suffi=* \
+ | --program-suff=* | --program-suf=* | --program-su=* | --program-s=*)
+ program_suffix=$ac_optarg ;;
+
+ -program-transform-name | --program-transform-name \
+ | --program-transform-nam | --program-transform-na \
+ | --program-transform-n | --program-transform- \
+ | --program-transform | --program-transfor \
+ | --program-transfo | --program-transf \
+ | --program-trans | --program-tran \
+ | --progr-tra | --program-tr | --program-t)
+ ac_prev=program_transform_name ;;
+ -program-transform-name=* | --program-transform-name=* \
+ | --program-transform-nam=* | --program-transform-na=* \
+ | --program-transform-n=* | --program-transform-=* \
+ | --program-transform=* | --program-transfor=* \
+ | --program-transfo=* | --program-transf=* \
+ | --program-trans=* | --program-tran=* \
+ | --progr-tra=* | --program-tr=* | --program-t=*)
+ program_transform_name=$ac_optarg ;;
+
+ -q | -quiet | --quiet | --quie | --qui | --qu | --q \
+ | -silent | --silent | --silen | --sile | --sil)
+ silent=yes ;;
+
+ -sbindir | --sbindir | --sbindi | --sbind | --sbin | --sbi | --sb)
+ ac_prev=sbindir ;;
+ -sbindir=* | --sbindir=* | --sbindi=* | --sbind=* | --sbin=* \
+ | --sbi=* | --sb=*)
+ sbindir=$ac_optarg ;;
+
+ -sharedstatedir | --sharedstatedir | --sharedstatedi \
+ | --sharedstated | --sharedstate | --sharedstat | --sharedsta \
+ | --sharedst | --shareds | --shared | --share | --shar \
+ | --sha | --sh)
+ ac_prev=sharedstatedir ;;
+ -sharedstatedir=* | --sharedstatedir=* | --sharedstatedi=* \
+ | --sharedstated=* | --sharedstate=* | --sharedstat=* | --sharedsta=* \
+ | --sharedst=* | --shareds=* | --shared=* | --share=* | --shar=* \
+ | --sha=* | --sh=*)
+ sharedstatedir=$ac_optarg ;;
+
+ -site | --site | --sit)
+ ac_prev=site ;;
+ -site=* | --site=* | --sit=*)
+ site=$ac_optarg ;;
+
+ -srcdir | --srcdir | --srcdi | --srcd | --src | --sr)
+ ac_prev=srcdir ;;
+ -srcdir=* | --srcdir=* | --srcdi=* | --srcd=* | --src=* | --sr=*)
+ srcdir=$ac_optarg ;;
+
+ -sysconfdir | --sysconfdir | --sysconfdi | --sysconfd | --sysconf \
+ | --syscon | --sysco | --sysc | --sys | --sy)
+ ac_prev=sysconfdir ;;
+ -sysconfdir=* | --sysconfdir=* | --sysconfdi=* | --sysconfd=* | --sysconf=* \
+ | --syscon=* | --sysco=* | --sysc=* | --sys=* | --sy=*)
+ sysconfdir=$ac_optarg ;;
+
+ -target | --target | --targe | --targ | --tar | --ta | --t)
+ ac_prev=target_alias ;;
+ -target=* | --target=* | --targe=* | --targ=* | --tar=* | --ta=* | --t=*)
+ target_alias=$ac_optarg ;;
+
+ -v | -verbose | --verbose | --verbos | --verbo | --verb)
+ verbose=yes ;;
+
+ -version | --version | --versio | --versi | --vers | -V)
+ ac_init_version=: ;;
+
+ -with-* | --with-*)
+ ac_package=`expr "x$ac_option" : 'x-*with-\([^=]*\)'`
+ # Reject names that are not valid shell variable names.
+ expr "x$ac_package" : ".*[^-_$as_cr_alnum]" >/dev/null &&
+ { echo "$as_me: error: invalid package name: $ac_package" >&2
+ { (exit 1); exit 1; }; }
+ ac_package=`echo $ac_package| sed 's/-/_/g'`
+ case $ac_option in
+ *=*) ac_optarg=`echo "$ac_optarg" | sed "s/'/'\\\\\\\\''/g"`;;
+ *) ac_optarg=yes ;;
+ esac
+ eval "with_$ac_package='$ac_optarg'" ;;
+
+ -without-* | --without-*)
+ ac_package=`expr "x$ac_option" : 'x-*without-\(.*\)'`
+ # Reject names that are not valid shell variable names.
+ expr "x$ac_package" : ".*[^-_$as_cr_alnum]" >/dev/null &&
+ { echo "$as_me: error: invalid package name: $ac_package" >&2
+ { (exit 1); exit 1; }; }
+ ac_package=`echo $ac_package | sed 's/-/_/g'`
+ eval "with_$ac_package=no" ;;
+
+ --x)
+ # Obsolete; use --with-x.
+ with_x=yes ;;
+
+ -x-includes | --x-includes | --x-include | --x-includ | --x-inclu \
+ | --x-incl | --x-inc | --x-in | --x-i)
+ ac_prev=x_includes ;;
+ -x-includes=* | --x-includes=* | --x-include=* | --x-includ=* | --x-inclu=* \
+ | --x-incl=* | --x-inc=* | --x-in=* | --x-i=*)
+ x_includes=$ac_optarg ;;
+
+ -x-libraries | --x-libraries | --x-librarie | --x-librari \
+ | --x-librar | --x-libra | --x-libr | --x-lib | --x-li | --x-l)
+ ac_prev=x_libraries ;;
+ -x-libraries=* | --x-libraries=* | --x-librarie=* | --x-librari=* \
+ | --x-librar=* | --x-libra=* | --x-libr=* | --x-lib=* | --x-li=* | --x-l=*)
+ x_libraries=$ac_optarg ;;
+
+ -*) { echo "$as_me: error: unrecognized option: $ac_option
+Try \`$0 --help' for more information." >&2
+ { (exit 1); exit 1; }; }
+ ;;
+
+ *=*)
+ ac_envvar=`expr "x$ac_option" : 'x\([^=]*\)='`
+ # Reject names that are not valid shell variable names.
+ expr "x$ac_envvar" : ".*[^_$as_cr_alnum]" >/dev/null &&
+ { echo "$as_me: error: invalid variable name: $ac_envvar" >&2
+ { (exit 1); exit 1; }; }
+ ac_optarg=`echo "$ac_optarg" | sed "s/'/'\\\\\\\\''/g"`
+ eval "$ac_envvar='$ac_optarg'"
+ export $ac_envvar ;;
+
+ *)
+ # FIXME: should be removed in autoconf 3.0.
+ echo "$as_me: WARNING: you should use --build, --host, --target" >&2
+ expr "x$ac_option" : ".*[^-._$as_cr_alnum]" >/dev/null &&
+ echo "$as_me: WARNING: invalid host type: $ac_option" >&2
+ : ${build_alias=$ac_option} ${host_alias=$ac_option} ${target_alias=$ac_option}
+ ;;
+
+ esac
+done
+
+if test -n "$ac_prev"; then
+ ac_option=--`echo $ac_prev | sed 's/_/-/g'`
+ { echo "$as_me: error: missing argument to $ac_option" >&2
+ { (exit 1); exit 1; }; }
+fi
+
+# Be sure to have absolute paths.
+for ac_var in exec_prefix prefix
+do
+ eval ac_val=$`echo $ac_var`
+ case $ac_val in
+ [\\/$]* | ?:[\\/]* | NONE | '' ) ;;
+ *) { echo "$as_me: error: expected an absolute directory name for --$ac_var: $ac_val" >&2
+ { (exit 1); exit 1; }; };;
+ esac
+done
+
+# Be sure to have absolute paths.
+for ac_var in bindir sbindir libexecdir datadir sysconfdir sharedstatedir \
+ localstatedir libdir includedir oldincludedir infodir mandir
+do
+ eval ac_val=$`echo $ac_var`
+ case $ac_val in
+ [\\/$]* | ?:[\\/]* ) ;;
+ *) { echo "$as_me: error: expected an absolute directory name for --$ac_var: $ac_val" >&2
+ { (exit 1); exit 1; }; };;
+ esac
+done
+
+# There might be people who depend on the old broken behavior: `$host'
+# used to hold the argument of --host etc.
+# FIXME: To remove some day.
+build=$build_alias
+host=$host_alias
+target=$target_alias
+
+# FIXME: To remove some day.
+if test "x$host_alias" != x; then
+ if test "x$build_alias" = x; then
+ cross_compiling=maybe
+ echo "$as_me: WARNING: If you wanted to set the --build type, don't use --host.
+ If a cross compiler is detected then cross compile mode will be used." >&2
+ elif test "x$build_alias" != "x$host_alias"; then
+ cross_compiling=yes
+ fi
+fi
+
+ac_tool_prefix=
+test -n "$host_alias" && ac_tool_prefix=$host_alias-
+
+test "$silent" = yes && exec 6>/dev/null
+
+
+# Find the source files, if location was not specified.
+if test -z "$srcdir"; then
+ ac_srcdir_defaulted=yes
+ # Try the directory containing this script, then its parent.
+ ac_confdir=`(dirname "$0") 2>/dev/null ||
+$as_expr X"$0" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \
+ X"$0" : 'X\(//\)[^/]' \| \
+ X"$0" : 'X\(//\)$' \| \
+ X"$0" : 'X\(/\)' \| \
+ . : '\(.\)' 2>/dev/null ||
+echo X"$0" |
+ sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ s//\1/; q; }
+ /^X\(\/\/\)[^/].*/{ s//\1/; q; }
+ /^X\(\/\/\)$/{ s//\1/; q; }
+ /^X\(\/\).*/{ s//\1/; q; }
+ s/.*/./; q'`
+ srcdir=$ac_confdir
+ if test ! -r $srcdir/$ac_unique_file; then
+ srcdir=..
+ fi
+else
+ ac_srcdir_defaulted=no
+fi
+if test ! -r $srcdir/$ac_unique_file; then
+ if test "$ac_srcdir_defaulted" = yes; then
+ { echo "$as_me: error: cannot find sources ($ac_unique_file) in $ac_confdir or .." >&2
+ { (exit 1); exit 1; }; }
+ else
+ { echo "$as_me: error: cannot find sources ($ac_unique_file) in $srcdir" >&2
+ { (exit 1); exit 1; }; }
+ fi
+fi
+(cd $srcdir && test -r ./$ac_unique_file) 2>/dev/null ||
+ { echo "$as_me: error: sources are in $srcdir, but \`cd $srcdir' does not work" >&2
+ { (exit 1); exit 1; }; }
+srcdir=`echo "$srcdir" | sed 's%\([^\\/]\)[\\/]*$%\1%'`
+ac_env_build_alias_set=${build_alias+set}
+ac_env_build_alias_value=$build_alias
+ac_cv_env_build_alias_set=${build_alias+set}
+ac_cv_env_build_alias_value=$build_alias
+ac_env_host_alias_set=${host_alias+set}
+ac_env_host_alias_value=$host_alias
+ac_cv_env_host_alias_set=${host_alias+set}
+ac_cv_env_host_alias_value=$host_alias
+ac_env_target_alias_set=${target_alias+set}
+ac_env_target_alias_value=$target_alias
+ac_cv_env_target_alias_set=${target_alias+set}
+ac_cv_env_target_alias_value=$target_alias
+ac_env_CXX_set=${CXX+set}
+ac_env_CXX_value=$CXX
+ac_cv_env_CXX_set=${CXX+set}
+ac_cv_env_CXX_value=$CXX
+ac_env_CXXFLAGS_set=${CXXFLAGS+set}
+ac_env_CXXFLAGS_value=$CXXFLAGS
+ac_cv_env_CXXFLAGS_set=${CXXFLAGS+set}
+ac_cv_env_CXXFLAGS_value=$CXXFLAGS
+ac_env_LDFLAGS_set=${LDFLAGS+set}
+ac_env_LDFLAGS_value=$LDFLAGS
+ac_cv_env_LDFLAGS_set=${LDFLAGS+set}
+ac_cv_env_LDFLAGS_value=$LDFLAGS
+ac_env_CPPFLAGS_set=${CPPFLAGS+set}
+ac_env_CPPFLAGS_value=$CPPFLAGS
+ac_cv_env_CPPFLAGS_set=${CPPFLAGS+set}
+ac_cv_env_CPPFLAGS_value=$CPPFLAGS
+ac_env_CC_set=${CC+set}
+ac_env_CC_value=$CC
+ac_cv_env_CC_set=${CC+set}
+ac_cv_env_CC_value=$CC
+ac_env_CFLAGS_set=${CFLAGS+set}
+ac_env_CFLAGS_value=$CFLAGS
+ac_cv_env_CFLAGS_set=${CFLAGS+set}
+ac_cv_env_CFLAGS_value=$CFLAGS
+ac_env_CPP_set=${CPP+set}
+ac_env_CPP_value=$CPP
+ac_cv_env_CPP_set=${CPP+set}
+ac_cv_env_CPP_value=$CPP
+
+#
+# Report the --help message.
+#
+if test "$ac_init_help" = "long"; then
+ # Omit some internal or obsolete options to make the list less imposing.
+ # This message is too long to be a string in the A/UX 3.1 sh.
+ cat <<_ACEOF
+\`configure' configures btk_core 0.8.1 to adapt to many kinds of systems.
+
+Usage: $0 [OPTION]... [VAR=VALUE]...
+
+To assign environment variables (e.g., CC, CFLAGS...), specify them as
+VAR=VALUE. See below for descriptions of some of the useful variables.
+
+Defaults for the options are specified in brackets.
+
+Configuration:
+ -h, --help display this help and exit
+ --help=short display options specific to this package
+ --help=recursive display the short help of all the included packages
+ -V, --version display version information and exit
+ -q, --quiet, --silent do not print \`checking...' messages
+ --cache-file=FILE cache test results in FILE [disabled]
+ -C, --config-cache alias for \`--cache-file=config.cache'
+ -n, --no-create do not create output files
+ --srcdir=DIR find the sources in DIR [configure dir or \`..']
+
+_ACEOF
+
+ cat <<_ACEOF
+Installation directories:
+ --prefix=PREFIX install architecture-independent files in PREFIX
+ [$ac_default_prefix]
+ --exec-prefix=EPREFIX install architecture-dependent files in EPREFIX
+ [PREFIX]
+
+By default, \`make install' will install all the files in
+\`$ac_default_prefix/bin', \`$ac_default_prefix/lib' etc. You can specify
+an installation prefix other than \`$ac_default_prefix' using \`--prefix',
+for instance \`--prefix=\$HOME'.
+
+For better control, use the options below.
+
+Fine tuning of the installation directories:
+ --bindir=DIR user executables [EPREFIX/bin]
+ --sbindir=DIR system admin executables [EPREFIX/sbin]
+ --libexecdir=DIR program executables [EPREFIX/libexec]
+ --datadir=DIR read-only architecture-independent data [PREFIX/share]
+ --sysconfdir=DIR read-only single-machine data [PREFIX/etc]
+ --sharedstatedir=DIR modifiable architecture-independent data [PREFIX/com]
+ --localstatedir=DIR modifiable single-machine data [PREFIX/var]
+ --libdir=DIR object code libraries [EPREFIX/lib]
+ --includedir=DIR C header files [PREFIX/include]
+ --oldincludedir=DIR C header files for non-gcc [/usr/include]
+ --infodir=DIR info documentation [PREFIX/info]
+ --mandir=DIR man documentation [PREFIX/man]
+_ACEOF
+
+ cat <<\_ACEOF
+
+Program names:
+ --program-prefix=PREFIX prepend PREFIX to installed program names
+ --program-suffix=SUFFIX append SUFFIX to installed program names
+ --program-transform-name=PROGRAM run sed PROGRAM on installed program names
+_ACEOF
+fi
+
+if test -n "$ac_init_help"; then
+ case $ac_init_help in
+ short | recursive ) echo "Configuration of btk_core 0.8.1:";;
+ esac
+ cat <<\_ACEOF
+
+Optional Features:
+ --disable-FEATURE do not include FEATURE (same as --enable-FEATURE=no)
+ --enable-FEATURE[=ARG] include FEATURE [ARG=yes]
+ --disable-dependency-tracking Speeds up one-time builds
+ --enable-dependency-tracking Do not reject slow dependency extractors
+
+Optional Packages:
+ --with-PACKAGE[=ARG] use PACKAGE [ARG=yes]
+ --without-PACKAGE do not use PACKAGE (same as --with-PACKAGE=no)
+ --with-boost=PATH absolute path name where the Boost C++ libraries
+ reside. Alternatively, the BOOST_ROOT environment variable will be used
+
+Some influential environment variables:
+ CXX C++ compiler command
+ CXXFLAGS C++ compiler flags
+ LDFLAGS linker flags, e.g. -L<lib dir> if you have libraries in a
+ nonstandard directory <lib dir>
+ CPPFLAGS C/C++ preprocessor flags, e.g. -I<include dir> if you have
+ headers in a nonstandard directory <include dir>
+ CC C compiler command
+ CFLAGS C compiler flags
+ CPP C preprocessor
+
+Use these variables to override the choices made by `configure' or to help
+it to find libraries and programs with nonstandard names/locations.
+
+Report bugs to <btk-bugs at lists.sf.net>.
+_ACEOF
+fi
+
+if test "$ac_init_help" = "recursive"; then
+ # If there are subdirs, report their specific --help.
+ ac_popdir=`pwd`
+ for ac_dir in : $ac_subdirs_all; do test "x$ac_dir" = x: && continue
+ test -d $ac_dir || continue
+ ac_builddir=.
+
+if test "$ac_dir" != .; then
+ ac_dir_suffix=/`echo "$ac_dir" | sed 's,^\.[\\/],,'`
+ # A "../" for each directory in $ac_dir_suffix.
+ ac_top_builddir=`echo "$ac_dir_suffix" | sed 's,/[^\\/]*,../,g'`
+else
+ ac_dir_suffix= ac_top_builddir=
+fi
+
+case $srcdir in
+ .) # No --srcdir option. We are building in place.
+ ac_srcdir=.
+ if test -z "$ac_top_builddir"; then
+ ac_top_srcdir=.
+ else
+ ac_top_srcdir=`echo $ac_top_builddir | sed 's,/$,,'`
+ fi ;;
+ [\\/]* | ?:[\\/]* ) # Absolute path.
+ ac_srcdir=$srcdir$ac_dir_suffix;
+ ac_top_srcdir=$srcdir ;;
+ *) # Relative path.
+ ac_srcdir=$ac_top_builddir$srcdir$ac_dir_suffix
+ ac_top_srcdir=$ac_top_builddir$srcdir ;;
+esac
+# Don't blindly perform a `cd "$ac_dir"/$ac_foo && pwd` since $ac_foo can be
+# absolute.
+ac_abs_builddir=`cd "$ac_dir" && cd $ac_builddir && pwd`
+ac_abs_top_builddir=`cd "$ac_dir" && cd ${ac_top_builddir}. && pwd`
+ac_abs_srcdir=`cd "$ac_dir" && cd $ac_srcdir && pwd`
+ac_abs_top_srcdir=`cd "$ac_dir" && cd $ac_top_srcdir && pwd`
+
+ cd $ac_dir
+ # Check for guested configure; otherwise get Cygnus style configure.
+ if test -f $ac_srcdir/configure.gnu; then
+ echo
+ $SHELL $ac_srcdir/configure.gnu --help=recursive
+ elif test -f $ac_srcdir/configure; then
+ echo
+ $SHELL $ac_srcdir/configure --help=recursive
+ elif test -f $ac_srcdir/configure.ac ||
+ test -f $ac_srcdir/configure.in; then
+ echo
+ $ac_configure --help
+ else
+ echo "$as_me: WARNING: no configuration information is in $ac_dir" >&2
+ fi
+ cd $ac_popdir
+ done
+fi
+
+test -n "$ac_init_help" && exit 0
+if $ac_init_version; then
+ cat <<\_ACEOF
+btk_core configure 0.8.1
+generated by GNU Autoconf 2.57
+
+Copyright 1992, 1993, 1994, 1995, 1996, 1998, 1999, 2000, 2001, 2002
+Free Software Foundation, Inc.
+This configure script is free software; the Free Software Foundation
+gives unlimited permission to copy, distribute and modify it.
+_ACEOF
+ exit 0
+fi
+exec 5>config.log
+cat >&5 <<_ACEOF
+This file contains any messages produced by compilers while
+running configure, to aid debugging if configure makes a mistake.
+
+It was created by btk_core $as_me 0.8.1, which was
+generated by GNU Autoconf 2.57. Invocation command line was
+
+ $ $0 $@
+
+_ACEOF
+{
+cat <<_ASUNAME
+## --------- ##
+## Platform. ##
+## --------- ##
+
+hostname = `(hostname || uname -n) 2>/dev/null | sed 1q`
+uname -m = `(uname -m) 2>/dev/null || echo unknown`
+uname -r = `(uname -r) 2>/dev/null || echo unknown`
+uname -s = `(uname -s) 2>/dev/null || echo unknown`
+uname -v = `(uname -v) 2>/dev/null || echo unknown`
+
+/usr/bin/uname -p = `(/usr/bin/uname -p) 2>/dev/null || echo unknown`
+/bin/uname -X = `(/bin/uname -X) 2>/dev/null || echo unknown`
+
+/bin/arch = `(/bin/arch) 2>/dev/null || echo unknown`
+/usr/bin/arch -k = `(/usr/bin/arch -k) 2>/dev/null || echo unknown`
+/usr/convex/getsysinfo = `(/usr/convex/getsysinfo) 2>/dev/null || echo unknown`
+hostinfo = `(hostinfo) 2>/dev/null || echo unknown`
+/bin/machine = `(/bin/machine) 2>/dev/null || echo unknown`
+/usr/bin/oslevel = `(/usr/bin/oslevel) 2>/dev/null || echo unknown`
+/bin/universe = `(/bin/universe) 2>/dev/null || echo unknown`
+
+_ASUNAME
+
+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ echo "PATH: $as_dir"
+done
+
+} >&5
+
+cat >&5 <<_ACEOF
+
+
+## ----------- ##
+## Core tests. ##
+## ----------- ##
+
+_ACEOF
+
+
+# Keep a trace of the command line.
+# Strip out --no-create and --no-recursion so they do not pile up.
+# Strip out --silent because we don't want to record it for future runs.
+# Also quote any args containing shell meta-characters.
+# Make two passes to allow for proper duplicate-argument suppression.
+ac_configure_args=
+ac_configure_args0=
+ac_configure_args1=
+ac_sep=
+ac_must_keep_next=false
+for ac_pass in 1 2
+do
+ for ac_arg
+ do
+ case $ac_arg in
+ -no-create | --no-c* | -n | -no-recursion | --no-r*) continue ;;
+ -q | -quiet | --quiet | --quie | --qui | --qu | --q \
+ | -silent | --silent | --silen | --sile | --sil)
+ continue ;;
+ *" "*|*" "*|*[\[\]\~\#\$\^\&\*\(\)\{\}\\\|\;\<\>\?\"\']*)
+ ac_arg=`echo "$ac_arg" | sed "s/'/'\\\\\\\\''/g"` ;;
+ esac
+ case $ac_pass in
+ 1) ac_configure_args0="$ac_configure_args0 '$ac_arg'" ;;
+ 2)
+ ac_configure_args1="$ac_configure_args1 '$ac_arg'"
+ if test $ac_must_keep_next = true; then
+ ac_must_keep_next=false # Got value, back to normal.
+ else
+ case $ac_arg in
+ *=* | --config-cache | -C | -disable-* | --disable-* \
+ | -enable-* | --enable-* | -gas | --g* | -nfp | --nf* \
+ | -q | -quiet | --q* | -silent | --sil* | -v | -verb* \
+ | -with-* | --with-* | -without-* | --without-* | --x)
+ case "$ac_configure_args0 " in
+ "$ac_configure_args1"*" '$ac_arg' "* ) continue ;;
+ esac
+ ;;
+ -* ) ac_must_keep_next=true ;;
+ esac
+ fi
+ ac_configure_args="$ac_configure_args$ac_sep'$ac_arg'"
+ # Get rid of the leading space.
+ ac_sep=" "
+ ;;
+ esac
+ done
+done
+$as_unset ac_configure_args0 || test "${ac_configure_args0+set}" != set || { ac_configure_args0=; export ac_configure_args0; }
+$as_unset ac_configure_args1 || test "${ac_configure_args1+set}" != set || { ac_configure_args1=; export ac_configure_args1; }
+
+# When interrupted or exit'd, cleanup temporary files, and complete
+# config.log. We remove comments because anyway the quotes in there
+# would cause problems or look ugly.
+# WARNING: Be sure not to use single quotes in there, as some shells,
+# such as our DU 5.0 friend, will then `close' the trap.
+trap 'exit_status=$?
+ # Save into config.log some information that might help in debugging.
+ {
+ echo
+
+ cat <<\_ASBOX
+## ---------------- ##
+## Cache variables. ##
+## ---------------- ##
+_ASBOX
+ echo
+ # The following way of writing the cache mishandles newlines in values,
+{
+ (set) 2>&1 |
+ case `(ac_space='"'"' '"'"'; set | grep ac_space) 2>&1` in
+ *ac_space=\ *)
+ sed -n \
+ "s/'"'"'/'"'"'\\\\'"'"''"'"'/g;
+ s/^\\([_$as_cr_alnum]*_cv_[_$as_cr_alnum]*\\)=\\(.*\\)/\\1='"'"'\\2'"'"'/p"
+ ;;
+ *)
+ sed -n \
+ "s/^\\([_$as_cr_alnum]*_cv_[_$as_cr_alnum]*\\)=\\(.*\\)/\\1=\\2/p"
+ ;;
+ esac;
+}
+ echo
+
+ cat <<\_ASBOX
+## ----------------- ##
+## Output variables. ##
+## ----------------- ##
+_ASBOX
+ echo
+ for ac_var in $ac_subst_vars
+ do
+ eval ac_val=$`echo $ac_var`
+ echo "$ac_var='"'"'$ac_val'"'"'"
+ done | sort
+ echo
+
+ if test -n "$ac_subst_files"; then
+ cat <<\_ASBOX
+## ------------- ##
+## Output files. ##
+## ------------- ##
+_ASBOX
+ echo
+ for ac_var in $ac_subst_files
+ do
+ eval ac_val=$`echo $ac_var`
+ echo "$ac_var='"'"'$ac_val'"'"'"
+ done | sort
+ echo
+ fi
+
+ if test -s confdefs.h; then
+ cat <<\_ASBOX
+## ----------- ##
+## confdefs.h. ##
+## ----------- ##
+_ASBOX
+ echo
+ sed "/^$/d" confdefs.h | sort
+ echo
+ fi
+ test "$ac_signal" != 0 &&
+ echo "$as_me: caught signal $ac_signal"
+ echo "$as_me: exit $exit_status"
+ } >&5
+ rm -f core core.* *.core &&
+ rm -rf conftest* confdefs* conf$$* $ac_clean_files &&
+ exit $exit_status
+ ' 0
+for ac_signal in 1 2 13 15; do
+ trap 'ac_signal='$ac_signal'; { (exit 1); exit 1; }' $ac_signal
+done
+ac_signal=0
+
+# confdefs.h avoids OS command line length limits that DEFS can exceed.
+rm -rf conftest* confdefs.h
+# AIX cpp loses on an empty file, so make sure it contains at least a newline.
+echo >confdefs.h
+
+# Predefined preprocessor variables.
+
+cat >>confdefs.h <<_ACEOF
+#define PACKAGE_NAME "$PACKAGE_NAME"
+_ACEOF
+
+
+cat >>confdefs.h <<_ACEOF
+#define PACKAGE_TARNAME "$PACKAGE_TARNAME"
+_ACEOF
+
+
+cat >>confdefs.h <<_ACEOF
+#define PACKAGE_VERSION "$PACKAGE_VERSION"
+_ACEOF
+
+
+cat >>confdefs.h <<_ACEOF
+#define PACKAGE_STRING "$PACKAGE_STRING"
+_ACEOF
+
+
+cat >>confdefs.h <<_ACEOF
+#define PACKAGE_BUGREPORT "$PACKAGE_BUGREPORT"
+_ACEOF
+
+
+# Let the site file select an alternate cache file if it wants to.
+# Prefer explicitly selected file to automatically selected ones.
+if test -z "$CONFIG_SITE"; then
+ if test "x$prefix" != xNONE; then
+ CONFIG_SITE="$prefix/share/config.site $prefix/etc/config.site"
+ else
+ CONFIG_SITE="$ac_default_prefix/share/config.site $ac_default_prefix/etc/config.site"
+ fi
+fi
+for ac_site_file in $CONFIG_SITE; do
+ if test -r "$ac_site_file"; then
+ { echo "$as_me:$LINENO: loading site script $ac_site_file" >&5
+echo "$as_me: loading site script $ac_site_file" >&6;}
+ sed 's/^/| /' "$ac_site_file" >&5
+ . "$ac_site_file"
+ fi
+done
+
+if test -r "$cache_file"; then
+ # Some versions of bash will fail to source /dev/null (special
+ # files actually), so we avoid doing that.
+ if test -f "$cache_file"; then
+ { echo "$as_me:$LINENO: loading cache $cache_file" >&5
+echo "$as_me: loading cache $cache_file" >&6;}
+ case $cache_file in
+ [\\/]* | ?:[\\/]* ) . $cache_file;;
+ *) . ./$cache_file;;
+ esac
+ fi
+else
+ { echo "$as_me:$LINENO: creating cache $cache_file" >&5
+echo "$as_me: creating cache $cache_file" >&6;}
+ >$cache_file
+fi
+
+# Check that the precious variables saved in the cache have kept the same
+# value.
+ac_cache_corrupted=false
+for ac_var in `(set) 2>&1 |
+ sed -n 's/^ac_env_\([a-zA-Z_0-9]*\)_set=.*/\1/p'`; do
+ eval ac_old_set=\$ac_cv_env_${ac_var}_set
+ eval ac_new_set=\$ac_env_${ac_var}_set
+ eval ac_old_val="\$ac_cv_env_${ac_var}_value"
+ eval ac_new_val="\$ac_env_${ac_var}_value"
+ case $ac_old_set,$ac_new_set in
+ set,)
+ { echo "$as_me:$LINENO: error: \`$ac_var' was set to \`$ac_old_val' in the previous run" >&5
+echo "$as_me: error: \`$ac_var' was set to \`$ac_old_val' in the previous run" >&2;}
+ ac_cache_corrupted=: ;;
+ ,set)
+ { echo "$as_me:$LINENO: error: \`$ac_var' was not set in the previous run" >&5
+echo "$as_me: error: \`$ac_var' was not set in the previous run" >&2;}
+ ac_cache_corrupted=: ;;
+ ,);;
+ *)
+ if test "x$ac_old_val" != "x$ac_new_val"; then
+ { echo "$as_me:$LINENO: error: \`$ac_var' has changed since the previous run:" >&5
+echo "$as_me: error: \`$ac_var' has changed since the previous run:" >&2;}
+ { echo "$as_me:$LINENO: former value: $ac_old_val" >&5
+echo "$as_me: former value: $ac_old_val" >&2;}
+ { echo "$as_me:$LINENO: current value: $ac_new_val" >&5
+echo "$as_me: current value: $ac_new_val" >&2;}
+ ac_cache_corrupted=:
+ fi;;
+ esac
+ # Pass precious variables to config.status.
+ if test "$ac_new_set" = set; then
+ case $ac_new_val in
+ *" "*|*" "*|*[\[\]\~\#\$\^\&\*\(\)\{\}\\\|\;\<\>\?\"\']*)
+ ac_arg=$ac_var=`echo "$ac_new_val" | sed "s/'/'\\\\\\\\''/g"` ;;
+ *) ac_arg=$ac_var=$ac_new_val ;;
+ esac
+ case " $ac_configure_args " in
+ *" '$ac_arg' "*) ;; # Avoid dups. Use of quotes ensures accuracy.
+ *) ac_configure_args="$ac_configure_args '$ac_arg'" ;;
+ esac
+ fi
+done
+if $ac_cache_corrupted; then
+ { echo "$as_me:$LINENO: error: changes in the environment can compromise the build" >&5
+echo "$as_me: error: changes in the environment can compromise the build" >&2;}
+ { { echo "$as_me:$LINENO: error: run \`make distclean' and/or \`rm $cache_file' and start over" >&5
+echo "$as_me: error: run \`make distclean' and/or \`rm $cache_file' and start over" >&2;}
+ { (exit 1); exit 1; }; }
+fi
+
+ac_ext=c
+ac_cpp='$CPP $CPPFLAGS'
+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_c_compiler_gnu
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+ac_aux_dir=
+for ac_dir in btk/core/config $srcdir/btk/core/config; do
+ if test -f $ac_dir/install-sh; then
+ ac_aux_dir=$ac_dir
+ ac_install_sh="$ac_aux_dir/install-sh -c"
+ break
+ elif test -f $ac_dir/install.sh; then
+ ac_aux_dir=$ac_dir
+ ac_install_sh="$ac_aux_dir/install.sh -c"
+ break
+ elif test -f $ac_dir/shtool; then
+ ac_aux_dir=$ac_dir
+ ac_install_sh="$ac_aux_dir/shtool install -c"
+ break
+ fi
+done
+if test -z "$ac_aux_dir"; then
+ { { echo "$as_me:$LINENO: error: cannot find install-sh or install.sh in btk/core/config $srcdir/btk/core/config" >&5
+echo "$as_me: error: cannot find install-sh or install.sh in btk/core/config $srcdir/btk/core/config" >&2;}
+ { (exit 1); exit 1; }; }
+fi
+ac_config_guess="$SHELL $ac_aux_dir/config.guess"
+ac_config_sub="$SHELL $ac_aux_dir/config.sub"
+ac_configure="$SHELL $ac_aux_dir/configure" # This should be Cygnus configure.
+
+am__api_version="1.6"
+# Find a good install program. We prefer a C program (faster),
+# so one script is as good as another. But avoid the broken or
+# incompatible versions:
+# SysV /etc/install, /usr/sbin/install
+# SunOS /usr/etc/install
+# IRIX /sbin/install
+# AIX /bin/install
+# AmigaOS /C/install, which installs bootblocks on floppy discs
+# AIX 4 /usr/bin/installbsd, which doesn't work without a -g flag
+# AFS /usr/afsws/bin/install, which mishandles nonexistent args
+# SVR4 /usr/ucb/install, which tries to use the nonexistent group "staff"
+# ./install, which can be erroneously created by make from ./install.sh.
+echo "$as_me:$LINENO: checking for a BSD-compatible install" >&5
+echo $ECHO_N "checking for a BSD-compatible install... $ECHO_C" >&6
+if test -z "$INSTALL"; then
+if test "${ac_cv_path_install+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ # Account for people who put trailing slashes in PATH elements.
+case $as_dir/ in
+ ./ | .// | /cC/* | \
+ /etc/* | /usr/sbin/* | /usr/etc/* | /sbin/* | /usr/afsws/bin/* | \
+ /usr/ucb/* ) ;;
+ *)
+ # OSF1 and SCO ODT 3.0 have their own names for install.
+ # Don't use installbsd from OSF since it installs stuff as root
+ # by default.
+ for ac_prog in ginstall scoinst install; do
+ for ac_exec_ext in '' $ac_executable_extensions; do
+ if $as_executable_p "$as_dir/$ac_prog$ac_exec_ext"; then
+ if test $ac_prog = install &&
+ grep dspmsg "$as_dir/$ac_prog$ac_exec_ext" >/dev/null 2>&1; then
+ # AIX install. It has an incompatible calling convention.
+ :
+ elif test $ac_prog = install &&
+ grep pwplus "$as_dir/$ac_prog$ac_exec_ext" >/dev/null 2>&1; then
+ # program-specific install script used by HP pwplus--don't use.
+ :
+ else
+ ac_cv_path_install="$as_dir/$ac_prog$ac_exec_ext -c"
+ break 3
+ fi
+ fi
+ done
+ done
+ ;;
+esac
+done
+
+
+fi
+ if test "${ac_cv_path_install+set}" = set; then
+ INSTALL=$ac_cv_path_install
+ else
+ # As a last resort, use the slow shell script. We don't cache a
+ # path for INSTALL within a source directory, because that will
+ # break other packages using the cache if that directory is
+ # removed, or if the path is relative.
+ INSTALL=$ac_install_sh
+ fi
+fi
+echo "$as_me:$LINENO: result: $INSTALL" >&5
+echo "${ECHO_T}$INSTALL" >&6
+
+# Use test -z because SunOS4 sh mishandles braces in ${var-val}.
+# It thinks the first close brace ends the variable substitution.
+test -z "$INSTALL_PROGRAM" && INSTALL_PROGRAM='${INSTALL}'
+
+test -z "$INSTALL_SCRIPT" && INSTALL_SCRIPT='${INSTALL}'
+
+test -z "$INSTALL_DATA" && INSTALL_DATA='${INSTALL} -m 644'
+
+echo "$as_me:$LINENO: checking whether build environment is sane" >&5
+echo $ECHO_N "checking whether build environment is sane... $ECHO_C" >&6
+# Just in case
+sleep 1
+echo timestamp > conftest.file
+# Do `set' in a subshell so we don't clobber the current shell's
+# arguments. Must try -L first in case configure is actually a
+# symlink; some systems play weird games with the mod time of symlinks
+# (eg FreeBSD returns the mod time of the symlink's containing
+# directory).
+if (
+ set X `ls -Lt $srcdir/configure conftest.file 2> /dev/null`
+ if test "$*" = "X"; then
+ # -L didn't work.
+ set X `ls -t $srcdir/configure conftest.file`
+ fi
+ rm -f conftest.file
+ if test "$*" != "X $srcdir/configure conftest.file" \
+ && test "$*" != "X conftest.file $srcdir/configure"; then
+
+ # If neither matched, then we have a broken ls. This can happen
+ # if, for instance, CONFIG_SHELL is bash and it inherits a
+ # broken ls alias from the environment. This has actually
+ # happened. Such a system could not be considered "sane".
+ { { echo "$as_me:$LINENO: error: ls -t appears to fail. Make sure there is not a broken
+alias in your environment" >&5
+echo "$as_me: error: ls -t appears to fail. Make sure there is not a broken
+alias in your environment" >&2;}
+ { (exit 1); exit 1; }; }
+ fi
+
+ test "$2" = conftest.file
+ )
+then
+ # Ok.
+ :
+else
+ { { echo "$as_me:$LINENO: error: newly created file is older than distributed files!
+Check your system clock" >&5
+echo "$as_me: error: newly created file is older than distributed files!
+Check your system clock" >&2;}
+ { (exit 1); exit 1; }; }
+fi
+echo "$as_me:$LINENO: result: yes" >&5
+echo "${ECHO_T}yes" >&6
+test "$program_prefix" != NONE &&
+ program_transform_name="s,^,$program_prefix,;$program_transform_name"
+# Use a double $ so make ignores it.
+test "$program_suffix" != NONE &&
+ program_transform_name="s,\$,$program_suffix,;$program_transform_name"
+# Double any \ or $. echo might interpret backslashes.
+# By default was `s,x,x', remove it if useless.
+cat <<\_ACEOF >conftest.sed
+s/[\\$]/&&/g;s/;s,x,x,$//
+_ACEOF
+program_transform_name=`echo $program_transform_name | sed -f conftest.sed`
+rm conftest.sed
+
+
+# expand $ac_aux_dir to an absolute path
+am_aux_dir=`cd $ac_aux_dir && pwd`
+
+test x"${MISSING+set}" = xset || MISSING="\${SHELL} $am_aux_dir/missing"
+# Use eval to expand $SHELL
+if eval "$MISSING --run true"; then
+ am_missing_run="$MISSING --run "
+else
+ am_missing_run=
+ { echo "$as_me:$LINENO: WARNING: \`missing' script is too old or missing" >&5
+echo "$as_me: WARNING: \`missing' script is too old or missing" >&2;}
+fi
+
+for ac_prog in gawk mawk nawk awk
+do
+ # Extract the first word of "$ac_prog", so it can be a program name with args.
+set dummy $ac_prog; ac_word=$2
+echo "$as_me:$LINENO: checking for $ac_word" >&5
+echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6
+if test "${ac_cv_prog_AWK+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if test -n "$AWK"; then
+ ac_cv_prog_AWK="$AWK" # Let the user override the test.
+else
+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ for ac_exec_ext in '' $ac_executable_extensions; do
+ if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
+ ac_cv_prog_AWK="$ac_prog"
+ echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5
+ break 2
+ fi
+done
+done
+
+fi
+fi
+AWK=$ac_cv_prog_AWK
+if test -n "$AWK"; then
+ echo "$as_me:$LINENO: result: $AWK" >&5
+echo "${ECHO_T}$AWK" >&6
+else
+ echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+fi
+
+ test -n "$AWK" && break
+done
+
+echo "$as_me:$LINENO: checking whether ${MAKE-make} sets \$(MAKE)" >&5
+echo $ECHO_N "checking whether ${MAKE-make} sets \$(MAKE)... $ECHO_C" >&6
+set dummy ${MAKE-make}; ac_make=`echo "$2" | sed 'y,./+-,__p_,'`
+if eval "test \"\${ac_cv_prog_make_${ac_make}_set+set}\" = set"; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ cat >conftest.make <<\_ACEOF
+all:
+ @echo 'ac_maketemp="$(MAKE)"'
+_ACEOF
+# GNU make sometimes prints "make[1]: Entering...", which would confuse us.
+eval `${MAKE-make} -f conftest.make 2>/dev/null | grep temp=`
+if test -n "$ac_maketemp"; then
+ eval ac_cv_prog_make_${ac_make}_set=yes
+else
+ eval ac_cv_prog_make_${ac_make}_set=no
+fi
+rm -f conftest.make
+fi
+if eval "test \"`echo '$ac_cv_prog_make_'${ac_make}_set`\" = yes"; then
+ echo "$as_me:$LINENO: result: yes" >&5
+echo "${ECHO_T}yes" >&6
+ SET_MAKE=
+else
+ echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+ SET_MAKE="MAKE=${MAKE-make}"
+fi
+
+ # test to see if srcdir already configured
+if test "`cd $srcdir && pwd`" != "`pwd`" &&
+ test -f $srcdir/config.status; then
+ { { echo "$as_me:$LINENO: error: source directory already configured; run \"make distclean\" there first" >&5
+echo "$as_me: error: source directory already configured; run \"make distclean\" there first" >&2;}
+ { (exit 1); exit 1; }; }
+fi
+
+# Define the identity of the package.
+ PACKAGE=btk_core
+ VERSION=0.8.1
+
+
+cat >>confdefs.h <<_ACEOF
+#define PACKAGE "$PACKAGE"
+_ACEOF
+
+
+cat >>confdefs.h <<_ACEOF
+#define VERSION "$VERSION"
+_ACEOF
+
+# Some tools Automake needs.
+
+ACLOCAL=${ACLOCAL-"${am_missing_run}aclocal-${am__api_version}"}
+
+
+AUTOCONF=${AUTOCONF-"${am_missing_run}autoconf"}
+
+
+AUTOMAKE=${AUTOMAKE-"${am_missing_run}automake-${am__api_version}"}
+
+
+AUTOHEADER=${AUTOHEADER-"${am_missing_run}autoheader"}
+
+
+MAKEINFO=${MAKEINFO-"${am_missing_run}makeinfo"}
+
+
+AMTAR=${AMTAR-"${am_missing_run}tar"}
+
+install_sh=${install_sh-"$am_aux_dir/install-sh"}
+
+# Installed binaries are usually stripped using `strip' when the user
+# run `make install-strip'. However `strip' might not be the right
+# tool to use in cross-compilation environments, therefore Automake
+# will honor the `STRIP' environment variable to overrule this program.
+if test "$cross_compiling" != no; then
+ if test -n "$ac_tool_prefix"; then
+ # Extract the first word of "${ac_tool_prefix}strip", so it can be a program name with args.
+set dummy ${ac_tool_prefix}strip; ac_word=$2
+echo "$as_me:$LINENO: checking for $ac_word" >&5
+echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6
+if test "${ac_cv_prog_STRIP+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if test -n "$STRIP"; then
+ ac_cv_prog_STRIP="$STRIP" # Let the user override the test.
+else
+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ for ac_exec_ext in '' $ac_executable_extensions; do
+ if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
+ ac_cv_prog_STRIP="${ac_tool_prefix}strip"
+ echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5
+ break 2
+ fi
+done
+done
+
+fi
+fi
+STRIP=$ac_cv_prog_STRIP
+if test -n "$STRIP"; then
+ echo "$as_me:$LINENO: result: $STRIP" >&5
+echo "${ECHO_T}$STRIP" >&6
+else
+ echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+fi
+
+fi
+if test -z "$ac_cv_prog_STRIP"; then
+ ac_ct_STRIP=$STRIP
+ # Extract the first word of "strip", so it can be a program name with args.
+set dummy strip; ac_word=$2
+echo "$as_me:$LINENO: checking for $ac_word" >&5
+echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6
+if test "${ac_cv_prog_ac_ct_STRIP+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if test -n "$ac_ct_STRIP"; then
+ ac_cv_prog_ac_ct_STRIP="$ac_ct_STRIP" # Let the user override the test.
+else
+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ for ac_exec_ext in '' $ac_executable_extensions; do
+ if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
+ ac_cv_prog_ac_ct_STRIP="strip"
+ echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5
+ break 2
+ fi
+done
+done
+
+ test -z "$ac_cv_prog_ac_ct_STRIP" && ac_cv_prog_ac_ct_STRIP=":"
+fi
+fi
+ac_ct_STRIP=$ac_cv_prog_ac_ct_STRIP
+if test -n "$ac_ct_STRIP"; then
+ echo "$as_me:$LINENO: result: $ac_ct_STRIP" >&5
+echo "${ECHO_T}$ac_ct_STRIP" >&6
+else
+ echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+fi
+
+ STRIP=$ac_ct_STRIP
+else
+ STRIP="$ac_cv_prog_STRIP"
+fi
+
+fi
+INSTALL_STRIP_PROGRAM="\${SHELL} \$(install_sh) -c -s"
+
+# We need awk for the "check" target. The system "awk" is bad on
+# some platforms.
+
+
+
+
+# Add the stamp file to the list of files AC keeps track of,
+# along with our hook.
+ ac_config_headers="$ac_config_headers btk/core/config/config.h"
+
+
+
+
+ac_config_headers="$ac_config_headers "
+
+
+ ac_config_commands="$ac_config_commands btk/core/config/btk_core_config.h"
+
+
+
+cat >>confdefs.h <<_ACEOF
+#define MAJOR_VERSION `expr $VERSION : '\([0-9]*\)\.'`
+_ACEOF
+
+
+
+cat >>confdefs.h <<_ACEOF
+#define MINOR_VERSION `expr $VERSION : '[0-9]*\.\([0-9]*\)'`
+_ACEOF
+
+
+
+# Checks for programs.
+ac_ext=cc
+ac_cpp='$CXXCPP $CPPFLAGS'
+ac_compile='$CXX -c $CXXFLAGS $CPPFLAGS conftest.$ac_ext >&5'
+ac_link='$CXX -o conftest$ac_exeext $CXXFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_cxx_compiler_gnu
+if test -n "$ac_tool_prefix"; then
+ for ac_prog in $CCC g++ c++ gpp aCC CC cxx cc++ cl FCC KCC RCC xlC_r xlC
+ do
+ # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args.
+set dummy $ac_tool_prefix$ac_prog; ac_word=$2
+echo "$as_me:$LINENO: checking for $ac_word" >&5
+echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6
+if test "${ac_cv_prog_CXX+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if test -n "$CXX"; then
+ ac_cv_prog_CXX="$CXX" # Let the user override the test.
+else
+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ for ac_exec_ext in '' $ac_executable_extensions; do
+ if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
+ ac_cv_prog_CXX="$ac_tool_prefix$ac_prog"
+ echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5
+ break 2
+ fi
+done
+done
+
+fi
+fi
+CXX=$ac_cv_prog_CXX
+if test -n "$CXX"; then
+ echo "$as_me:$LINENO: result: $CXX" >&5
+echo "${ECHO_T}$CXX" >&6
+else
+ echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+fi
+
+ test -n "$CXX" && break
+ done
+fi
+if test -z "$CXX"; then
+ ac_ct_CXX=$CXX
+ for ac_prog in $CCC g++ c++ gpp aCC CC cxx cc++ cl FCC KCC RCC xlC_r xlC
+do
+ # Extract the first word of "$ac_prog", so it can be a program name with args.
+set dummy $ac_prog; ac_word=$2
+echo "$as_me:$LINENO: checking for $ac_word" >&5
+echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6
+if test "${ac_cv_prog_ac_ct_CXX+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if test -n "$ac_ct_CXX"; then
+ ac_cv_prog_ac_ct_CXX="$ac_ct_CXX" # Let the user override the test.
+else
+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ for ac_exec_ext in '' $ac_executable_extensions; do
+ if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
+ ac_cv_prog_ac_ct_CXX="$ac_prog"
+ echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5
+ break 2
+ fi
+done
+done
+
+fi
+fi
+ac_ct_CXX=$ac_cv_prog_ac_ct_CXX
+if test -n "$ac_ct_CXX"; then
+ echo "$as_me:$LINENO: result: $ac_ct_CXX" >&5
+echo "${ECHO_T}$ac_ct_CXX" >&6
+else
+ echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+fi
+
+ test -n "$ac_ct_CXX" && break
+done
+test -n "$ac_ct_CXX" || ac_ct_CXX="g++"
+
+ CXX=$ac_ct_CXX
+fi
+
+
+# Provide some information about the compiler.
+echo "$as_me:$LINENO:" \
+ "checking for C++ compiler version" >&5
+ac_compiler=`set X $ac_compile; echo $2`
+{ (eval echo "$as_me:$LINENO: \"$ac_compiler --version </dev/null >&5\"") >&5
+ (eval $ac_compiler --version </dev/null >&5) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }
+{ (eval echo "$as_me:$LINENO: \"$ac_compiler -v </dev/null >&5\"") >&5
+ (eval $ac_compiler -v </dev/null >&5) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }
+{ (eval echo "$as_me:$LINENO: \"$ac_compiler -V </dev/null >&5\"") >&5
+ (eval $ac_compiler -V </dev/null >&5) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }
+
+cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+
+int
+main ()
+{
+
+ ;
+ return 0;
+}
+_ACEOF
+ac_clean_files_save=$ac_clean_files
+ac_clean_files="$ac_clean_files a.out a.exe b.out"
+# Try to create an executable without -o first, disregard a.out.
+# It will help us diagnose broken compilers, and finding out an intuition
+# of exeext.
+echo "$as_me:$LINENO: checking for C++ compiler default output" >&5
+echo $ECHO_N "checking for C++ compiler default output... $ECHO_C" >&6
+ac_link_default=`echo "$ac_link" | sed 's/ -o *conftest[^ ]*//'`
+if { (eval echo "$as_me:$LINENO: \"$ac_link_default\"") >&5
+ (eval $ac_link_default) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; then
+ # Find the output, starting from the most likely. This scheme is
+# not robust to junk in `.', hence go to wildcards (a.*) only as a last
+# resort.
+
+# Be careful to initialize this variable, since it used to be cached.
+# Otherwise an old cache value of `no' led to `EXEEXT = no' in a Makefile.
+ac_cv_exeext=
+# b.out is created by i960 compilers.
+for ac_file in a_out.exe a.exe conftest.exe a.out conftest a.* conftest.* b.out
+do
+ test -f "$ac_file" || continue
+ case $ac_file in
+ *.$ac_ext | *.xcoff | *.tds | *.d | *.pdb | *.xSYM | *.bb | *.bbg | *.o | *.obj )
+ ;;
+ conftest.$ac_ext )
+ # This is the source file.
+ ;;
+ [ab].out )
+ # We found the default executable, but exeext='' is most
+ # certainly right.
+ break;;
+ *.* )
+ ac_cv_exeext=`expr "$ac_file" : '[^.]*\(\..*\)'`
+ # FIXME: I believe we export ac_cv_exeext for Libtool,
+ # but it would be cool to find out if it's true. Does anybody
+ # maintain Libtool? --akim.
+ export ac_cv_exeext
+ break;;
+ * )
+ break;;
+ esac
+done
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+{ { echo "$as_me:$LINENO: error: C++ compiler cannot create executables
+See \`config.log' for more details." >&5
+echo "$as_me: error: C++ compiler cannot create executables
+See \`config.log' for more details." >&2;}
+ { (exit 77); exit 77; }; }
+fi
+
+ac_exeext=$ac_cv_exeext
+echo "$as_me:$LINENO: result: $ac_file" >&5
+echo "${ECHO_T}$ac_file" >&6
+
+# Check the compiler produces executables we can run. If not, either
+# the compiler is broken, or we cross compile.
+echo "$as_me:$LINENO: checking whether the C++ compiler works" >&5
+echo $ECHO_N "checking whether the C++ compiler works... $ECHO_C" >&6
+# FIXME: These cross compiler hacks should be removed for Autoconf 3.0
+# If not cross compiling, check that we can run a simple program.
+if test "$cross_compiling" != yes; then
+ if { ac_try='./$ac_file'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ cross_compiling=no
+ else
+ if test "$cross_compiling" = maybe; then
+ cross_compiling=yes
+ else
+ { { echo "$as_me:$LINENO: error: cannot run C++ compiled programs.
+If you meant to cross compile, use \`--host'.
+See \`config.log' for more details." >&5
+echo "$as_me: error: cannot run C++ compiled programs.
+If you meant to cross compile, use \`--host'.
+See \`config.log' for more details." >&2;}
+ { (exit 1); exit 1; }; }
+ fi
+ fi
+fi
+echo "$as_me:$LINENO: result: yes" >&5
+echo "${ECHO_T}yes" >&6
+
+rm -f a.out a.exe conftest$ac_cv_exeext b.out
+ac_clean_files=$ac_clean_files_save
+# Check the compiler produces executables we can run. If not, either
+# the compiler is broken, or we cross compile.
+echo "$as_me:$LINENO: checking whether we are cross compiling" >&5
+echo $ECHO_N "checking whether we are cross compiling... $ECHO_C" >&6
+echo "$as_me:$LINENO: result: $cross_compiling" >&5
+echo "${ECHO_T}$cross_compiling" >&6
+
+echo "$as_me:$LINENO: checking for suffix of executables" >&5
+echo $ECHO_N "checking for suffix of executables... $ECHO_C" >&6
+if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5
+ (eval $ac_link) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; then
+ # If both `conftest.exe' and `conftest' are `present' (well, observable)
+# catch `conftest.exe'. For instance with Cygwin, `ls conftest' will
+# work properly (i.e., refer to `conftest.exe'), while it won't with
+# `rm'.
+for ac_file in conftest.exe conftest conftest.*; do
+ test -f "$ac_file" || continue
+ case $ac_file in
+ *.$ac_ext | *.xcoff | *.tds | *.d | *.pdb | *.xSYM | *.bb | *.bbg | *.o | *.obj ) ;;
+ *.* ) ac_cv_exeext=`expr "$ac_file" : '[^.]*\(\..*\)'`
+ export ac_cv_exeext
+ break;;
+ * ) break;;
+ esac
+done
+else
+ { { echo "$as_me:$LINENO: error: cannot compute suffix of executables: cannot compile and link
+See \`config.log' for more details." >&5
+echo "$as_me: error: cannot compute suffix of executables: cannot compile and link
+See \`config.log' for more details." >&2;}
+ { (exit 1); exit 1; }; }
+fi
+
+rm -f conftest$ac_cv_exeext
+echo "$as_me:$LINENO: result: $ac_cv_exeext" >&5
+echo "${ECHO_T}$ac_cv_exeext" >&6
+
+rm -f conftest.$ac_ext
+EXEEXT=$ac_cv_exeext
+ac_exeext=$EXEEXT
+echo "$as_me:$LINENO: checking for suffix of object files" >&5
+echo $ECHO_N "checking for suffix of object files... $ECHO_C" >&6
+if test "${ac_cv_objext+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+
+int
+main ()
+{
+
+ ;
+ return 0;
+}
+_ACEOF
+rm -f conftest.o conftest.obj
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; then
+ for ac_file in `(ls conftest.o conftest.obj; ls conftest.*) 2>/dev/null`; do
+ case $ac_file in
+ *.$ac_ext | *.xcoff | *.tds | *.d | *.pdb | *.xSYM | *.bb | *.bbg ) ;;
+ *) ac_cv_objext=`expr "$ac_file" : '.*\.\(.*\)'`
+ break;;
+ esac
+done
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+{ { echo "$as_me:$LINENO: error: cannot compute suffix of object files: cannot compile
+See \`config.log' for more details." >&5
+echo "$as_me: error: cannot compute suffix of object files: cannot compile
+See \`config.log' for more details." >&2;}
+ { (exit 1); exit 1; }; }
+fi
+
+rm -f conftest.$ac_cv_objext conftest.$ac_ext
+fi
+echo "$as_me:$LINENO: result: $ac_cv_objext" >&5
+echo "${ECHO_T}$ac_cv_objext" >&6
+OBJEXT=$ac_cv_objext
+ac_objext=$OBJEXT
+echo "$as_me:$LINENO: checking whether we are using the GNU C++ compiler" >&5
+echo $ECHO_N "checking whether we are using the GNU C++ compiler... $ECHO_C" >&6
+if test "${ac_cv_cxx_compiler_gnu+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+
+int
+main ()
+{
+#ifndef __GNUC__
+ choke me
+#endif
+
+ ;
+ return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ ac_compiler_gnu=yes
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+ac_compiler_gnu=no
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+ac_cv_cxx_compiler_gnu=$ac_compiler_gnu
+
+fi
+echo "$as_me:$LINENO: result: $ac_cv_cxx_compiler_gnu" >&5
+echo "${ECHO_T}$ac_cv_cxx_compiler_gnu" >&6
+GXX=`test $ac_compiler_gnu = yes && echo yes`
+ac_test_CXXFLAGS=${CXXFLAGS+set}
+ac_save_CXXFLAGS=$CXXFLAGS
+CXXFLAGS="-g"
+echo "$as_me:$LINENO: checking whether $CXX accepts -g" >&5
+echo $ECHO_N "checking whether $CXX accepts -g... $ECHO_C" >&6
+if test "${ac_cv_prog_cxx_g+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+
+int
+main ()
+{
+
+ ;
+ return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ ac_cv_prog_cxx_g=yes
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+ac_cv_prog_cxx_g=no
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+fi
+echo "$as_me:$LINENO: result: $ac_cv_prog_cxx_g" >&5
+echo "${ECHO_T}$ac_cv_prog_cxx_g" >&6
+if test "$ac_test_CXXFLAGS" = set; then
+ CXXFLAGS=$ac_save_CXXFLAGS
+elif test $ac_cv_prog_cxx_g = yes; then
+ if test "$GXX" = yes; then
+ CXXFLAGS="-g -O2"
+ else
+ CXXFLAGS="-g"
+ fi
+else
+ if test "$GXX" = yes; then
+ CXXFLAGS="-O2"
+ else
+ CXXFLAGS=
+ fi
+fi
+for ac_declaration in \
+ ''\
+ '#include <stdlib.h>' \
+ 'extern "C" void std::exit (int) throw (); using std::exit;' \
+ 'extern "C" void std::exit (int); using std::exit;' \
+ 'extern "C" void exit (int) throw ();' \
+ 'extern "C" void exit (int);' \
+ 'void exit (int);'
+do
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+#include <stdlib.h>
+$ac_declaration
+int
+main ()
+{
+exit (42);
+ ;
+ return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ :
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+continue
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+$ac_declaration
+int
+main ()
+{
+exit (42);
+ ;
+ return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ break
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+done
+rm -f conftest*
+if test -n "$ac_declaration"; then
+ echo '#ifdef __cplusplus' >>confdefs.h
+ echo $ac_declaration >>confdefs.h
+ echo '#endif' >>confdefs.h
+fi
+
+ac_ext=c
+ac_cpp='$CPP $CPPFLAGS'
+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_c_compiler_gnu
+rm -f .deps 2>/dev/null
+mkdir .deps 2>/dev/null
+if test -d .deps; then
+ DEPDIR=.deps
+else
+ # MS-DOS does not allow filenames that begin with a dot.
+ DEPDIR=_deps
+fi
+rmdir .deps 2>/dev/null
+
+
+ ac_config_commands="$ac_config_commands depfiles"
+
+
+am_make=${MAKE-make}
+cat > confinc << 'END'
+doit:
+ @echo done
+END
+# If we don't find an include directive, just comment out the code.
+echo "$as_me:$LINENO: checking for style of include used by $am_make" >&5
+echo $ECHO_N "checking for style of include used by $am_make... $ECHO_C" >&6
+am__include="#"
+am__quote=
+_am_result=none
+# First try GNU make style include.
+echo "include confinc" > confmf
+# We grep out `Entering directory' and `Leaving directory'
+# messages which can occur if `w' ends up in MAKEFLAGS.
+# In particular we don't look at `^make:' because GNU make might
+# be invoked under some other name (usually "gmake"), in which
+# case it prints its new name instead of `make'.
+if test "`$am_make -s -f confmf 2> /dev/null | fgrep -v 'ing directory'`" = "done"; then
+ am__include=include
+ am__quote=
+ _am_result=GNU
+fi
+# Now try BSD make style include.
+if test "$am__include" = "#"; then
+ echo '.include "confinc"' > confmf
+ if test "`$am_make -s -f confmf 2> /dev/null`" = "done"; then
+ am__include=.include
+ am__quote="\""
+ _am_result=BSD
+ fi
+fi
+
+
+echo "$as_me:$LINENO: result: $_am_result" >&5
+echo "${ECHO_T}$_am_result" >&6
+rm -f confinc confmf
+
+# Check whether --enable-dependency-tracking or --disable-dependency-tracking was given.
+if test "${enable_dependency_tracking+set}" = set; then
+ enableval="$enable_dependency_tracking"
+
+fi;
+if test "x$enable_dependency_tracking" != xno; then
+ am_depcomp="$ac_aux_dir/depcomp"
+ AMDEPBACKSLASH='\'
+fi
+
+
+if test "x$enable_dependency_tracking" != xno; then
+ AMDEP_TRUE=
+ AMDEP_FALSE='#'
+else
+ AMDEP_TRUE='#'
+ AMDEP_FALSE=
+fi
+
+
+
+
+depcc="$CXX" am_compiler_list=
+
+echo "$as_me:$LINENO: checking dependency style of $depcc" >&5
+echo $ECHO_N "checking dependency style of $depcc... $ECHO_C" >&6
+if test "${am_cv_CXX_dependencies_compiler_type+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if test -z "$AMDEP_TRUE" && test -f "$am_depcomp"; then
+ # We make a subdir and do the tests there. Otherwise we can end up
+ # making bogus files that we don't know about and never remove. For
+ # instance it was reported that on HP-UX the gcc test will end up
+ # making a dummy file named `D' -- because `-MD' means `put the output
+ # in D'.
+ mkdir conftest.dir
+ # Copy depcomp to subdir because otherwise we won't find it if we're
+ # using a relative directory.
+ cp "$am_depcomp" conftest.dir
+ cd conftest.dir
+
+ am_cv_CXX_dependencies_compiler_type=none
+ if test "$am_compiler_list" = ""; then
+ am_compiler_list=`sed -n 's/^#*\([a-zA-Z0-9]*\))$/\1/p' < ./depcomp`
+ fi
+ for depmode in $am_compiler_list; do
+ # We need to recreate these files for each test, as the compiler may
+ # overwrite some of them when testing with obscure command lines.
+ # This happens at least with the AIX C compiler.
+ echo '#include "conftest.h"' > conftest.c
+ echo 'int i;' > conftest.h
+ echo "${am__include} ${am__quote}conftest.Po${am__quote}" > confmf
+
+ case $depmode in
+ nosideeffect)
+ # after this tag, mechanisms are not by side-effect, so they'll
+ # only be used when explicitly requested
+ if test "x$enable_dependency_tracking" = xyes; then
+ continue
+ else
+ break
+ fi
+ ;;
+ none) break ;;
+ esac
+ # We check with `-c' and `-o' for the sake of the "dashmstdout"
+ # mode. It turns out that the SunPro C++ compiler does not properly
+ # handle `-M -o', and we need to detect this.
+ if depmode=$depmode \
+ source=conftest.c object=conftest.o \
+ depfile=conftest.Po tmpdepfile=conftest.TPo \
+ $SHELL ./depcomp $depcc -c conftest.c -o conftest.o >/dev/null 2>&1 &&
+ grep conftest.h conftest.Po > /dev/null 2>&1 &&
+ ${MAKE-make} -s -f confmf > /dev/null 2>&1; then
+ am_cv_CXX_dependencies_compiler_type=$depmode
+ break
+ fi
+ done
+
+ cd ..
+ rm -rf conftest.dir
+else
+ am_cv_CXX_dependencies_compiler_type=none
+fi
+
+fi
+echo "$as_me:$LINENO: result: $am_cv_CXX_dependencies_compiler_type" >&5
+echo "${ECHO_T}$am_cv_CXX_dependencies_compiler_type" >&6
+CXXDEPMODE=depmode=$am_cv_CXX_dependencies_compiler_type
+
+
+ac_ext=c
+ac_cpp='$CPP $CPPFLAGS'
+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_c_compiler_gnu
+if test -n "$ac_tool_prefix"; then
+ # Extract the first word of "${ac_tool_prefix}gcc", so it can be a program name with args.
+set dummy ${ac_tool_prefix}gcc; ac_word=$2
+echo "$as_me:$LINENO: checking for $ac_word" >&5
+echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6
+if test "${ac_cv_prog_CC+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if test -n "$CC"; then
+ ac_cv_prog_CC="$CC" # Let the user override the test.
+else
+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ for ac_exec_ext in '' $ac_executable_extensions; do
+ if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
+ ac_cv_prog_CC="${ac_tool_prefix}gcc"
+ echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5
+ break 2
+ fi
+done
+done
+
+fi
+fi
+CC=$ac_cv_prog_CC
+if test -n "$CC"; then
+ echo "$as_me:$LINENO: result: $CC" >&5
+echo "${ECHO_T}$CC" >&6
+else
+ echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+fi
+
+fi
+if test -z "$ac_cv_prog_CC"; then
+ ac_ct_CC=$CC
+ # Extract the first word of "gcc", so it can be a program name with args.
+set dummy gcc; ac_word=$2
+echo "$as_me:$LINENO: checking for $ac_word" >&5
+echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6
+if test "${ac_cv_prog_ac_ct_CC+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if test -n "$ac_ct_CC"; then
+ ac_cv_prog_ac_ct_CC="$ac_ct_CC" # Let the user override the test.
+else
+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ for ac_exec_ext in '' $ac_executable_extensions; do
+ if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
+ ac_cv_prog_ac_ct_CC="gcc"
+ echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5
+ break 2
+ fi
+done
+done
+
+fi
+fi
+ac_ct_CC=$ac_cv_prog_ac_ct_CC
+if test -n "$ac_ct_CC"; then
+ echo "$as_me:$LINENO: result: $ac_ct_CC" >&5
+echo "${ECHO_T}$ac_ct_CC" >&6
+else
+ echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+fi
+
+ CC=$ac_ct_CC
+else
+ CC="$ac_cv_prog_CC"
+fi
+
+if test -z "$CC"; then
+ if test -n "$ac_tool_prefix"; then
+ # Extract the first word of "${ac_tool_prefix}cc", so it can be a program name with args.
+set dummy ${ac_tool_prefix}cc; ac_word=$2
+echo "$as_me:$LINENO: checking for $ac_word" >&5
+echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6
+if test "${ac_cv_prog_CC+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if test -n "$CC"; then
+ ac_cv_prog_CC="$CC" # Let the user override the test.
+else
+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ for ac_exec_ext in '' $ac_executable_extensions; do
+ if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
+ ac_cv_prog_CC="${ac_tool_prefix}cc"
+ echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5
+ break 2
+ fi
+done
+done
+
+fi
+fi
+CC=$ac_cv_prog_CC
+if test -n "$CC"; then
+ echo "$as_me:$LINENO: result: $CC" >&5
+echo "${ECHO_T}$CC" >&6
+else
+ echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+fi
+
+fi
+if test -z "$ac_cv_prog_CC"; then
+ ac_ct_CC=$CC
+ # Extract the first word of "cc", so it can be a program name with args.
+set dummy cc; ac_word=$2
+echo "$as_me:$LINENO: checking for $ac_word" >&5
+echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6
+if test "${ac_cv_prog_ac_ct_CC+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if test -n "$ac_ct_CC"; then
+ ac_cv_prog_ac_ct_CC="$ac_ct_CC" # Let the user override the test.
+else
+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ for ac_exec_ext in '' $ac_executable_extensions; do
+ if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
+ ac_cv_prog_ac_ct_CC="cc"
+ echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5
+ break 2
+ fi
+done
+done
+
+fi
+fi
+ac_ct_CC=$ac_cv_prog_ac_ct_CC
+if test -n "$ac_ct_CC"; then
+ echo "$as_me:$LINENO: result: $ac_ct_CC" >&5
+echo "${ECHO_T}$ac_ct_CC" >&6
+else
+ echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+fi
+
+ CC=$ac_ct_CC
+else
+ CC="$ac_cv_prog_CC"
+fi
+
+fi
+if test -z "$CC"; then
+ # Extract the first word of "cc", so it can be a program name with args.
+set dummy cc; ac_word=$2
+echo "$as_me:$LINENO: checking for $ac_word" >&5
+echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6
+if test "${ac_cv_prog_CC+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if test -n "$CC"; then
+ ac_cv_prog_CC="$CC" # Let the user override the test.
+else
+ ac_prog_rejected=no
+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ for ac_exec_ext in '' $ac_executable_extensions; do
+ if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
+ if test "$as_dir/$ac_word$ac_exec_ext" = "/usr/ucb/cc"; then
+ ac_prog_rejected=yes
+ continue
+ fi
+ ac_cv_prog_CC="cc"
+ echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5
+ break 2
+ fi
+done
+done
+
+if test $ac_prog_rejected = yes; then
+ # We found a bogon in the path, so make sure we never use it.
+ set dummy $ac_cv_prog_CC
+ shift
+ if test $# != 0; then
+ # We chose a different compiler from the bogus one.
+ # However, it has the same basename, so the bogon will be chosen
+ # first if we set CC to just the basename; use the full file name.
+ shift
+ ac_cv_prog_CC="$as_dir/$ac_word${1+' '}$@"
+ fi
+fi
+fi
+fi
+CC=$ac_cv_prog_CC
+if test -n "$CC"; then
+ echo "$as_me:$LINENO: result: $CC" >&5
+echo "${ECHO_T}$CC" >&6
+else
+ echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+fi
+
+fi
+if test -z "$CC"; then
+ if test -n "$ac_tool_prefix"; then
+ for ac_prog in cl
+ do
+ # Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args.
+set dummy $ac_tool_prefix$ac_prog; ac_word=$2
+echo "$as_me:$LINENO: checking for $ac_word" >&5
+echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6
+if test "${ac_cv_prog_CC+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if test -n "$CC"; then
+ ac_cv_prog_CC="$CC" # Let the user override the test.
+else
+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ for ac_exec_ext in '' $ac_executable_extensions; do
+ if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
+ ac_cv_prog_CC="$ac_tool_prefix$ac_prog"
+ echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5
+ break 2
+ fi
+done
+done
+
+fi
+fi
+CC=$ac_cv_prog_CC
+if test -n "$CC"; then
+ echo "$as_me:$LINENO: result: $CC" >&5
+echo "${ECHO_T}$CC" >&6
+else
+ echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+fi
+
+ test -n "$CC" && break
+ done
+fi
+if test -z "$CC"; then
+ ac_ct_CC=$CC
+ for ac_prog in cl
+do
+ # Extract the first word of "$ac_prog", so it can be a program name with args.
+set dummy $ac_prog; ac_word=$2
+echo "$as_me:$LINENO: checking for $ac_word" >&5
+echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6
+if test "${ac_cv_prog_ac_ct_CC+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if test -n "$ac_ct_CC"; then
+ ac_cv_prog_ac_ct_CC="$ac_ct_CC" # Let the user override the test.
+else
+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ for ac_exec_ext in '' $ac_executable_extensions; do
+ if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
+ ac_cv_prog_ac_ct_CC="$ac_prog"
+ echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5
+ break 2
+ fi
+done
+done
+
+fi
+fi
+ac_ct_CC=$ac_cv_prog_ac_ct_CC
+if test -n "$ac_ct_CC"; then
+ echo "$as_me:$LINENO: result: $ac_ct_CC" >&5
+echo "${ECHO_T}$ac_ct_CC" >&6
+else
+ echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+fi
+
+ test -n "$ac_ct_CC" && break
+done
+
+ CC=$ac_ct_CC
+fi
+
+fi
+
+
+test -z "$CC" && { { echo "$as_me:$LINENO: error: no acceptable C compiler found in \$PATH
+See \`config.log' for more details." >&5
+echo "$as_me: error: no acceptable C compiler found in \$PATH
+See \`config.log' for more details." >&2;}
+ { (exit 1); exit 1; }; }
+
+# Provide some information about the compiler.
+echo "$as_me:$LINENO:" \
+ "checking for C compiler version" >&5
+ac_compiler=`set X $ac_compile; echo $2`
+{ (eval echo "$as_me:$LINENO: \"$ac_compiler --version </dev/null >&5\"") >&5
+ (eval $ac_compiler --version </dev/null >&5) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }
+{ (eval echo "$as_me:$LINENO: \"$ac_compiler -v </dev/null >&5\"") >&5
+ (eval $ac_compiler -v </dev/null >&5) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }
+{ (eval echo "$as_me:$LINENO: \"$ac_compiler -V </dev/null >&5\"") >&5
+ (eval $ac_compiler -V </dev/null >&5) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }
+
+echo "$as_me:$LINENO: checking whether we are using the GNU C compiler" >&5
+echo $ECHO_N "checking whether we are using the GNU C compiler... $ECHO_C" >&6
+if test "${ac_cv_c_compiler_gnu+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+
+int
+main ()
+{
+#ifndef __GNUC__
+ choke me
+#endif
+
+ ;
+ return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ ac_compiler_gnu=yes
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+ac_compiler_gnu=no
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+ac_cv_c_compiler_gnu=$ac_compiler_gnu
+
+fi
+echo "$as_me:$LINENO: result: $ac_cv_c_compiler_gnu" >&5
+echo "${ECHO_T}$ac_cv_c_compiler_gnu" >&6
+GCC=`test $ac_compiler_gnu = yes && echo yes`
+ac_test_CFLAGS=${CFLAGS+set}
+ac_save_CFLAGS=$CFLAGS
+CFLAGS="-g"
+echo "$as_me:$LINENO: checking whether $CC accepts -g" >&5
+echo $ECHO_N "checking whether $CC accepts -g... $ECHO_C" >&6
+if test "${ac_cv_prog_cc_g+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+
+int
+main ()
+{
+
+ ;
+ return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ ac_cv_prog_cc_g=yes
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+ac_cv_prog_cc_g=no
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+fi
+echo "$as_me:$LINENO: result: $ac_cv_prog_cc_g" >&5
+echo "${ECHO_T}$ac_cv_prog_cc_g" >&6
+if test "$ac_test_CFLAGS" = set; then
+ CFLAGS=$ac_save_CFLAGS
+elif test $ac_cv_prog_cc_g = yes; then
+ if test "$GCC" = yes; then
+ CFLAGS="-g -O2"
+ else
+ CFLAGS="-g"
+ fi
+else
+ if test "$GCC" = yes; then
+ CFLAGS="-O2"
+ else
+ CFLAGS=
+ fi
+fi
+echo "$as_me:$LINENO: checking for $CC option to accept ANSI C" >&5
+echo $ECHO_N "checking for $CC option to accept ANSI C... $ECHO_C" >&6
+if test "${ac_cv_prog_cc_stdc+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ ac_cv_prog_cc_stdc=no
+ac_save_CC=$CC
+cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+#include <stdarg.h>
+#include <stdio.h>
+#include <sys/types.h>
+#include <sys/stat.h>
+/* Most of the following tests are stolen from RCS 5.7's src/conf.sh. */
+struct buf { int x; };
+FILE * (*rcsopen) (struct buf *, struct stat *, int);
+static char *e (p, i)
+ char **p;
+ int i;
+{
+ return p[i];
+}
+static char *f (char * (*g) (char **, int), char **p, ...)
+{
+ char *s;
+ va_list v;
+ va_start (v,p);
+ s = g (p, va_arg (v,int));
+ va_end (v);
+ return s;
+}
+int test (int i, double x);
+struct s1 {int (*f) (int a);};
+struct s2 {int (*f) (double a);};
+int pairnames (int, char **, FILE *(*)(struct buf *, struct stat *, int), int, int);
+int argc;
+char **argv;
+int
+main ()
+{
+return f (e, argv, 0) != argv[0] || f (e, argv, 1) != argv[1];
+ ;
+ return 0;
+}
+_ACEOF
+# Don't try gcc -ansi; that turns off useful extensions and
+# breaks some systems' header files.
+# AIX -qlanglvl=ansi
+# Ultrix and OSF/1 -std1
+# HP-UX 10.20 and later -Ae
+# HP-UX older versions -Aa -D_HPUX_SOURCE
+# SVR4 -Xc -D__EXTENSIONS__
+for ac_arg in "" -qlanglvl=ansi -std1 -Ae "-Aa -D_HPUX_SOURCE" "-Xc -D__EXTENSIONS__"
+do
+ CC="$ac_save_CC $ac_arg"
+ rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ ac_cv_prog_cc_stdc=$ac_arg
+break
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+fi
+rm -f conftest.$ac_objext
+done
+rm -f conftest.$ac_ext conftest.$ac_objext
+CC=$ac_save_CC
+
+fi
+
+case "x$ac_cv_prog_cc_stdc" in
+ x|xno)
+ echo "$as_me:$LINENO: result: none needed" >&5
+echo "${ECHO_T}none needed" >&6 ;;
+ *)
+ echo "$as_me:$LINENO: result: $ac_cv_prog_cc_stdc" >&5
+echo "${ECHO_T}$ac_cv_prog_cc_stdc" >&6
+ CC="$CC $ac_cv_prog_cc_stdc" ;;
+esac
+
+# Some people use a C++ compiler to compile C. Since we use `exit',
+# in C++ we need to declare it. In case someone uses the same compiler
+# for both compiling C and C++ we need to have the C++ compiler decide
+# the declaration of exit, since it's the most demanding environment.
+cat >conftest.$ac_ext <<_ACEOF
+#ifndef __cplusplus
+ choke me
+#endif
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ for ac_declaration in \
+ ''\
+ '#include <stdlib.h>' \
+ 'extern "C" void std::exit (int) throw (); using std::exit;' \
+ 'extern "C" void std::exit (int); using std::exit;' \
+ 'extern "C" void exit (int) throw ();' \
+ 'extern "C" void exit (int);' \
+ 'void exit (int);'
+do
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+#include <stdlib.h>
+$ac_declaration
+int
+main ()
+{
+exit (42);
+ ;
+ return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ :
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+continue
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+$ac_declaration
+int
+main ()
+{
+exit (42);
+ ;
+ return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ break
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+done
+rm -f conftest*
+if test -n "$ac_declaration"; then
+ echo '#ifdef __cplusplus' >>confdefs.h
+ echo $ac_declaration >>confdefs.h
+ echo '#endif' >>confdefs.h
+fi
+
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+ac_ext=c
+ac_cpp='$CPP $CPPFLAGS'
+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_c_compiler_gnu
+
+depcc="$CC" am_compiler_list=
+
+echo "$as_me:$LINENO: checking dependency style of $depcc" >&5
+echo $ECHO_N "checking dependency style of $depcc... $ECHO_C" >&6
+if test "${am_cv_CC_dependencies_compiler_type+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if test -z "$AMDEP_TRUE" && test -f "$am_depcomp"; then
+ # We make a subdir and do the tests there. Otherwise we can end up
+ # making bogus files that we don't know about and never remove. For
+ # instance it was reported that on HP-UX the gcc test will end up
+ # making a dummy file named `D' -- because `-MD' means `put the output
+ # in D'.
+ mkdir conftest.dir
+ # Copy depcomp to subdir because otherwise we won't find it if we're
+ # using a relative directory.
+ cp "$am_depcomp" conftest.dir
+ cd conftest.dir
+
+ am_cv_CC_dependencies_compiler_type=none
+ if test "$am_compiler_list" = ""; then
+ am_compiler_list=`sed -n 's/^#*\([a-zA-Z0-9]*\))$/\1/p' < ./depcomp`
+ fi
+ for depmode in $am_compiler_list; do
+ # We need to recreate these files for each test, as the compiler may
+ # overwrite some of them when testing with obscure command lines.
+ # This happens at least with the AIX C compiler.
+ echo '#include "conftest.h"' > conftest.c
+ echo 'int i;' > conftest.h
+ echo "${am__include} ${am__quote}conftest.Po${am__quote}" > confmf
+
+ case $depmode in
+ nosideeffect)
+ # after this tag, mechanisms are not by side-effect, so they'll
+ # only be used when explicitly requested
+ if test "x$enable_dependency_tracking" = xyes; then
+ continue
+ else
+ break
+ fi
+ ;;
+ none) break ;;
+ esac
+ # We check with `-c' and `-o' for the sake of the "dashmstdout"
+ # mode. It turns out that the SunPro C++ compiler does not properly
+ # handle `-M -o', and we need to detect this.
+ if depmode=$depmode \
+ source=conftest.c object=conftest.o \
+ depfile=conftest.Po tmpdepfile=conftest.TPo \
+ $SHELL ./depcomp $depcc -c conftest.c -o conftest.o >/dev/null 2>&1 &&
+ grep conftest.h conftest.Po > /dev/null 2>&1 &&
+ ${MAKE-make} -s -f confmf > /dev/null 2>&1; then
+ am_cv_CC_dependencies_compiler_type=$depmode
+ break
+ fi
+ done
+
+ cd ..
+ rm -rf conftest.dir
+else
+ am_cv_CC_dependencies_compiler_type=none
+fi
+
+fi
+echo "$as_me:$LINENO: result: $am_cv_CC_dependencies_compiler_type" >&5
+echo "${ECHO_T}$am_cv_CC_dependencies_compiler_type" >&6
+CCDEPMODE=depmode=$am_cv_CC_dependencies_compiler_type
+
+
+if test -n "$ac_tool_prefix"; then
+ # Extract the first word of "${ac_tool_prefix}ranlib", so it can be a program name with args.
+set dummy ${ac_tool_prefix}ranlib; ac_word=$2
+echo "$as_me:$LINENO: checking for $ac_word" >&5
+echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6
+if test "${ac_cv_prog_RANLIB+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if test -n "$RANLIB"; then
+ ac_cv_prog_RANLIB="$RANLIB" # Let the user override the test.
+else
+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ for ac_exec_ext in '' $ac_executable_extensions; do
+ if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
+ ac_cv_prog_RANLIB="${ac_tool_prefix}ranlib"
+ echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5
+ break 2
+ fi
+done
+done
+
+fi
+fi
+RANLIB=$ac_cv_prog_RANLIB
+if test -n "$RANLIB"; then
+ echo "$as_me:$LINENO: result: $RANLIB" >&5
+echo "${ECHO_T}$RANLIB" >&6
+else
+ echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+fi
+
+fi
+if test -z "$ac_cv_prog_RANLIB"; then
+ ac_ct_RANLIB=$RANLIB
+ # Extract the first word of "ranlib", so it can be a program name with args.
+set dummy ranlib; ac_word=$2
+echo "$as_me:$LINENO: checking for $ac_word" >&5
+echo $ECHO_N "checking for $ac_word... $ECHO_C" >&6
+if test "${ac_cv_prog_ac_ct_RANLIB+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if test -n "$ac_ct_RANLIB"; then
+ ac_cv_prog_ac_ct_RANLIB="$ac_ct_RANLIB" # Let the user override the test.
+else
+as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ for ac_exec_ext in '' $ac_executable_extensions; do
+ if $as_executable_p "$as_dir/$ac_word$ac_exec_ext"; then
+ ac_cv_prog_ac_ct_RANLIB="ranlib"
+ echo "$as_me:$LINENO: found $as_dir/$ac_word$ac_exec_ext" >&5
+ break 2
+ fi
+done
+done
+
+ test -z "$ac_cv_prog_ac_ct_RANLIB" && ac_cv_prog_ac_ct_RANLIB=":"
+fi
+fi
+ac_ct_RANLIB=$ac_cv_prog_ac_ct_RANLIB
+if test -n "$ac_ct_RANLIB"; then
+ echo "$as_me:$LINENO: result: $ac_ct_RANLIB" >&5
+echo "${ECHO_T}$ac_ct_RANLIB" >&6
+else
+ echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+fi
+
+ RANLIB=$ac_ct_RANLIB
+else
+ RANLIB="$ac_cv_prog_RANLIB"
+fi
+
+echo "$as_me:$LINENO: checking whether ln -s works" >&5
+echo $ECHO_N "checking whether ln -s works... $ECHO_C" >&6
+LN_S=$as_ln_s
+if test "$LN_S" = "ln -s"; then
+ echo "$as_me:$LINENO: result: yes" >&5
+echo "${ECHO_T}yes" >&6
+else
+ echo "$as_me:$LINENO: result: no, using $LN_S" >&5
+echo "${ECHO_T}no, using $LN_S" >&6
+fi
+
+#AC_PROG_LIBTOOL
+
+# Compiler flag tweaks
+#SET_GCC_ABI_VERSION([0])
+
+
+ echo "$as_me:$LINENO: checking whether $CXX supports -Wno-long-double" >&5
+echo $ECHO_N "checking whether $CXX supports -Wno-long-double... $ECHO_C" >&6
+
+
+
+ ac_ext=cc
+ac_cpp='$CXXCPP $CPPFLAGS'
+ac_compile='$CXX -c $CXXFLAGS $CPPFLAGS conftest.$ac_ext >&5'
+ac_link='$CXX -o conftest$ac_exeext $CXXFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_cxx_compiler_gnu
+
+ backup_CXXFLAGS="$CXXFLAGS"
+ CXXFLAGS="$CXXFLAGS -Wno-long-double"
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+
+int
+main ()
+{
+
+ ;
+ return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ echo "$as_me:$LINENO: result: yes" >&5
+echo "${ECHO_T}yes" >&6
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+ CXXFLAGS="$backup_CXXFLAGS"
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+ ac_ext=c
+ac_cpp='$CPP $CPPFLAGS'
+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_c_compiler_gnu
+
+
+
+
+ echo "$as_me:$LINENO: checking whether $CXX supports -Wall" >&5
+echo $ECHO_N "checking whether $CXX supports -Wall... $ECHO_C" >&6
+
+
+
+ ac_ext=cc
+ac_cpp='$CXXCPP $CPPFLAGS'
+ac_compile='$CXX -c $CXXFLAGS $CPPFLAGS conftest.$ac_ext >&5'
+ac_link='$CXX -o conftest$ac_exeext $CXXFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_cxx_compiler_gnu
+
+ backup_CXXFLAGS="$CXXFLAGS"
+ CXXFLAGS="$CXXFLAGS -Wall"
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+
+int
+main ()
+{
+
+ ;
+ return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ echo "$as_me:$LINENO: result: yes" >&5
+echo "${ECHO_T}yes" >&6
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+ CXXFLAGS="$backup_CXXFLAGS"
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+ ac_ext=c
+ac_cpp='$CPP $CPPFLAGS'
+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_c_compiler_gnu
+
+
+
+
+# Checks for libraries.
+
+ BOOST_PATH=""
+ path_given="no"
+ found_boost_root="no"
+
+ echo "$as_me:$LINENO: checking for path to Boost C++ libraries" >&5
+echo $ECHO_N "checking for path to Boost C++ libraries... $ECHO_C" >&6
+
+
+# Check whether --with-boost or --without-boost was given.
+if test "${with_boost+set}" = set; then
+ withval="$with_boost"
+ if test "$withval" = no ; then
+ path_given="no"
+ BOOST_PATH=""
+ else
+ if test "$withval" != yes ; then
+ path_given="yes"
+ BOOST_PATH="$withval"
+ BOOST_ROOT="$withval"
+
+ is_absolute=`expr $withval : '\/.*' `
+
+ if test "$is_absolute" == 0 ; then
+ { echo "$as_me:$LINENO: WARNING: It appears that your argument to --with-boost is not an
+ absolute path. This might cause problems with your build!" >&5
+echo "$as_me: WARNING: It appears that your argument to --with-boost is not an
+ absolute path. This might cause problems with your build!" >&2;}
+ fi
+ fi
+ fi
+
+fi;
+
+ if test "$path_given" = "no"; then
+ if test "x$BOOST_ROOT" = "x"; then
+ found_boost_root="no"
+ BOOST_PATH=""
+ else
+ found_boost_root="yes"
+ BOOST_PATH="$BOOST_ROOT"
+ fi
+ fi
+
+ if test "$found_boost_root" = "no" -a "$path_given" = "no"; then
+ echo "$as_me:$LINENO: result: not found!" >&5
+echo "${ECHO_T}not found!" >&6
+ { { echo "$as_me:$LINENO: error: boost version 1.31 or later is required to build the btk!!
+If boost is installed, specify the location of your installation
+using the --with-boost flag to configure, or the BOOST_ROOT
+environment variable. If boost is not installed, please download
+it from http://www.boost.org." >&5
+echo "$as_me: error: boost version 1.31 or later is required to build the btk!!
+If boost is installed, specify the location of your installation
+using the --with-boost flag to configure, or the BOOST_ROOT
+environment variable. If boost is not installed, please download
+it from http://www.boost.org." >&2;}
+ { (exit 1); exit 1; }; }
+ else
+ echo "$as_me:$LINENO: result: yes, $BOOST_PATH" >&5
+echo "${ECHO_T}yes, $BOOST_PATH" >&6
+ fi
+
+ boost_min_version=1.31.0
+
+
+
+ ac_ext=cc
+ac_cpp='$CXXCPP $CPPFLAGS'
+ac_compile='$CXX -c $CXXFLAGS $CPPFLAGS conftest.$ac_ext >&5'
+ac_link='$CXX -o conftest$ac_exeext $CXXFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_cxx_compiler_gnu
+
+ OLD_CXX_FLAGS="$CXXFLAGS"
+ CXXFLAGS="$CXXFLAGS -I$BOOST_PATH"
+ echo "$as_me:$LINENO: checking for Boost version $boost_min_version or newer" >&5
+echo $ECHO_N "checking for Boost version $boost_min_version or newer... $ECHO_C" >&6
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+#include <boost/version.hpp>
+int
+main ()
+{
+
+ ;
+ return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ have_boost="yes"
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+
+ echo "$as_me:$LINENO: result: no" >&5
+echo "${ECHO_T}no" >&6
+ have_boost="no"
+ { { echo "$as_me:$LINENO: error: boost version 1.31 or later is required to build the btk!!
+If boost is installed, specify the location of your installation
+using the --with-boost flag to configure, or the BOOST_ROOT
+environment variable. If boost is not installed, please download
+it from http://www.boost.org." >&5
+echo "$as_me: error: boost version 1.31 or later is required to build the btk!!
+If boost is installed, specify the location of your installation
+using the --with-boost flag to configure, or the BOOST_ROOT
+environment variable. If boost is not installed, please download
+it from http://www.boost.org." >&2;}
+ { (exit 1); exit 1; }; }
+
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+
+ if test "$have_boost" = "yes"; then
+ WANT_BOOST_MAJOR=`expr $boost_min_version : '\([0-9]*\)\.'`
+ WANT_BOOST_MINOR=`expr $boost_min_version : '[0-9]*\.\([0-9]*\)'`
+ WANT_BOOST_SUB_MINOR=`expr $boost_min_version : '[0-9]*\.[0-9]*\.\([0-9]*\)'`
+ WANT_BOOST_VERSION=`expr $WANT_BOOST_MAJOR \* 100000 \+ $WANT_BOOST_MINOR \* 100 \+ $WANT_BOOST_SUB_MINOR`
+
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+#include <boost/version.hpp>
+int
+main ()
+{
+
+ #if BOOST_VERSION >= $WANT_BOOST_VERSION
+ // Everything is okay
+ #else
+ # error Boost version is too old
+ #endif
+
+ ;
+ return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+
+ echo "$as_me:$LINENO: result: yes" >&5
+echo "${ECHO_T}yes" >&6
+ CPPFLAGS="$CPPFLAGS -I$BOOST_PATH"
+
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+
+ echo "$as_me:$LINENO: result: no, version of installed Boost libraries is too old" >&5
+echo "${ECHO_T}no, version of installed Boost libraries is too old" >&6
+ { { echo "$as_me:$LINENO: error: boost version 1.31 or later is required to build the btk!!
+If boost is installed, specify the location of your installation
+using the --with-boost flag to configure, or the BOOST_ROOT
+environment variable. If boost is not installed, please download
+it from http://www.boost.org." >&5
+echo "$as_me: error: boost version 1.31 or later is required to build the btk!!
+If boost is installed, specify the location of your installation
+using the --with-boost flag to configure, or the BOOST_ROOT
+environment variable. If boost is not installed, please download
+it from http://www.boost.org." >&2;}
+ { (exit 1); exit 1; }; }
+
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+ fi
+
+ CXXFLAGS="$OLD_CXX_FLAGS"
+ ac_ext=c
+ac_cpp='$CPP $CPPFLAGS'
+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_c_compiler_gnu
+
+
+
+# Checks for header files.
+
+ac_ext=c
+ac_cpp='$CPP $CPPFLAGS'
+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_c_compiler_gnu
+echo "$as_me:$LINENO: checking how to run the C preprocessor" >&5
+echo $ECHO_N "checking how to run the C preprocessor... $ECHO_C" >&6
+# On Suns, sometimes $CPP names a directory.
+if test -n "$CPP" && test -d "$CPP"; then
+ CPP=
+fi
+if test -z "$CPP"; then
+ if test "${ac_cv_prog_CPP+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ # Double quotes because CPP needs to be expanded
+ for CPP in "$CC -E" "$CC -E -traditional-cpp" "/lib/cpp"
+ do
+ ac_preproc_ok=false
+for ac_c_preproc_warn_flag in '' yes
+do
+ # Use a header file that comes with gcc, so configuring glibc
+ # with a fresh cross-compiler works.
+ # Prefer <limits.h> to <assert.h> if __STDC__ is defined, since
+ # <limits.h> exists even on freestanding compilers.
+ # On the NeXT, cc -E runs the code through the compiler's parser,
+ # not just through cpp. "Syntax error" is here to catch this case.
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+#ifdef __STDC__
+# include <limits.h>
+#else
+# include <assert.h>
+#endif
+ Syntax error
+_ACEOF
+if { (eval echo "$as_me:$LINENO: \"$ac_cpp conftest.$ac_ext\"") >&5
+ (eval $ac_cpp conftest.$ac_ext) 2>conftest.er1
+ ac_status=$?
+ grep -v '^ *+' conftest.er1 >conftest.err
+ rm -f conftest.er1
+ cat conftest.err >&5
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } >/dev/null; then
+ if test -s conftest.err; then
+ ac_cpp_err=$ac_c_preproc_warn_flag
+ else
+ ac_cpp_err=
+ fi
+else
+ ac_cpp_err=yes
+fi
+if test -z "$ac_cpp_err"; then
+ :
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+ # Broken: fails on valid input.
+continue
+fi
+rm -f conftest.err conftest.$ac_ext
+
+ # OK, works on sane cases. Now check whether non-existent headers
+ # can be detected and how.
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+#include <ac_nonexistent.h>
+_ACEOF
+if { (eval echo "$as_me:$LINENO: \"$ac_cpp conftest.$ac_ext\"") >&5
+ (eval $ac_cpp conftest.$ac_ext) 2>conftest.er1
+ ac_status=$?
+ grep -v '^ *+' conftest.er1 >conftest.err
+ rm -f conftest.er1
+ cat conftest.err >&5
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } >/dev/null; then
+ if test -s conftest.err; then
+ ac_cpp_err=$ac_c_preproc_warn_flag
+ else
+ ac_cpp_err=
+ fi
+else
+ ac_cpp_err=yes
+fi
+if test -z "$ac_cpp_err"; then
+ # Broken: success on invalid input.
+continue
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+ # Passes both tests.
+ac_preproc_ok=:
+break
+fi
+rm -f conftest.err conftest.$ac_ext
+
+done
+# Because of `break', _AC_PREPROC_IFELSE's cleaning code was skipped.
+rm -f conftest.err conftest.$ac_ext
+if $ac_preproc_ok; then
+ break
+fi
+
+ done
+ ac_cv_prog_CPP=$CPP
+
+fi
+ CPP=$ac_cv_prog_CPP
+else
+ ac_cv_prog_CPP=$CPP
+fi
+echo "$as_me:$LINENO: result: $CPP" >&5
+echo "${ECHO_T}$CPP" >&6
+ac_preproc_ok=false
+for ac_c_preproc_warn_flag in '' yes
+do
+ # Use a header file that comes with gcc, so configuring glibc
+ # with a fresh cross-compiler works.
+ # Prefer <limits.h> to <assert.h> if __STDC__ is defined, since
+ # <limits.h> exists even on freestanding compilers.
+ # On the NeXT, cc -E runs the code through the compiler's parser,
+ # not just through cpp. "Syntax error" is here to catch this case.
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+#ifdef __STDC__
+# include <limits.h>
+#else
+# include <assert.h>
+#endif
+ Syntax error
+_ACEOF
+if { (eval echo "$as_me:$LINENO: \"$ac_cpp conftest.$ac_ext\"") >&5
+ (eval $ac_cpp conftest.$ac_ext) 2>conftest.er1
+ ac_status=$?
+ grep -v '^ *+' conftest.er1 >conftest.err
+ rm -f conftest.er1
+ cat conftest.err >&5
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } >/dev/null; then
+ if test -s conftest.err; then
+ ac_cpp_err=$ac_c_preproc_warn_flag
+ else
+ ac_cpp_err=
+ fi
+else
+ ac_cpp_err=yes
+fi
+if test -z "$ac_cpp_err"; then
+ :
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+ # Broken: fails on valid input.
+continue
+fi
+rm -f conftest.err conftest.$ac_ext
+
+ # OK, works on sane cases. Now check whether non-existent headers
+ # can be detected and how.
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+#include <ac_nonexistent.h>
+_ACEOF
+if { (eval echo "$as_me:$LINENO: \"$ac_cpp conftest.$ac_ext\"") >&5
+ (eval $ac_cpp conftest.$ac_ext) 2>conftest.er1
+ ac_status=$?
+ grep -v '^ *+' conftest.er1 >conftest.err
+ rm -f conftest.er1
+ cat conftest.err >&5
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } >/dev/null; then
+ if test -s conftest.err; then
+ ac_cpp_err=$ac_c_preproc_warn_flag
+ else
+ ac_cpp_err=
+ fi
+else
+ ac_cpp_err=yes
+fi
+if test -z "$ac_cpp_err"; then
+ # Broken: success on invalid input.
+continue
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+ # Passes both tests.
+ac_preproc_ok=:
+break
+fi
+rm -f conftest.err conftest.$ac_ext
+
+done
+# Because of `break', _AC_PREPROC_IFELSE's cleaning code was skipped.
+rm -f conftest.err conftest.$ac_ext
+if $ac_preproc_ok; then
+ :
+else
+ { { echo "$as_me:$LINENO: error: C preprocessor \"$CPP\" fails sanity check
+See \`config.log' for more details." >&5
+echo "$as_me: error: C preprocessor \"$CPP\" fails sanity check
+See \`config.log' for more details." >&2;}
+ { (exit 1); exit 1; }; }
+fi
+
+ac_ext=c
+ac_cpp='$CPP $CPPFLAGS'
+ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
+ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
+ac_compiler_gnu=$ac_cv_c_compiler_gnu
+
+
+echo "$as_me:$LINENO: checking for egrep" >&5
+echo $ECHO_N "checking for egrep... $ECHO_C" >&6
+if test "${ac_cv_prog_egrep+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ if echo a | (grep -E '(a|b)') >/dev/null 2>&1
+ then ac_cv_prog_egrep='grep -E'
+ else ac_cv_prog_egrep='egrep'
+ fi
+fi
+echo "$as_me:$LINENO: result: $ac_cv_prog_egrep" >&5
+echo "${ECHO_T}$ac_cv_prog_egrep" >&6
+ EGREP=$ac_cv_prog_egrep
+
+
+echo "$as_me:$LINENO: checking for ANSI C header files" >&5
+echo $ECHO_N "checking for ANSI C header files... $ECHO_C" >&6
+if test "${ac_cv_header_stdc+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+#include <stdlib.h>
+#include <stdarg.h>
+#include <string.h>
+#include <float.h>
+
+int
+main ()
+{
+
+ ;
+ return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ ac_cv_header_stdc=yes
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+ac_cv_header_stdc=no
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+
+if test $ac_cv_header_stdc = yes; then
+ # SunOS 4.x string.h does not declare mem*, contrary to ANSI.
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+#include <string.h>
+
+_ACEOF
+if (eval "$ac_cpp conftest.$ac_ext") 2>&5 |
+ $EGREP "memchr" >/dev/null 2>&1; then
+ :
+else
+ ac_cv_header_stdc=no
+fi
+rm -f conftest*
+
+fi
+
+if test $ac_cv_header_stdc = yes; then
+ # ISC 2.0.2 stdlib.h does not declare free, contrary to ANSI.
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+#include <stdlib.h>
+
+_ACEOF
+if (eval "$ac_cpp conftest.$ac_ext") 2>&5 |
+ $EGREP "free" >/dev/null 2>&1; then
+ :
+else
+ ac_cv_header_stdc=no
+fi
+rm -f conftest*
+
+fi
+
+if test $ac_cv_header_stdc = yes; then
+ # /bin/cc in Irix-4.0.5 gets non-ANSI ctype macros unless using -ansi.
+ if test "$cross_compiling" = yes; then
+ :
+else
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+#include <ctype.h>
+#if ((' ' & 0x0FF) == 0x020)
+# define ISLOWER(c) ('a' <= (c) && (c) <= 'z')
+# define TOUPPER(c) (ISLOWER(c) ? 'A' + ((c) - 'a') : (c))
+#else
+# define ISLOWER(c) \
+ (('a' <= (c) && (c) <= 'i') \
+ || ('j' <= (c) && (c) <= 'r') \
+ || ('s' <= (c) && (c) <= 'z'))
+# define TOUPPER(c) (ISLOWER(c) ? ((c) | 0x40) : (c))
+#endif
+
+#define XOR(e, f) (((e) && !(f)) || (!(e) && (f)))
+int
+main ()
+{
+ int i;
+ for (i = 0; i < 256; i++)
+ if (XOR (islower (i), ISLOWER (i))
+ || toupper (i) != TOUPPER (i))
+ exit(2);
+ exit (0);
+}
+_ACEOF
+rm -f conftest$ac_exeext
+if { (eval echo "$as_me:$LINENO: \"$ac_link\"") >&5
+ (eval $ac_link) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } && { ac_try='./conftest$ac_exeext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ :
+else
+ echo "$as_me: program exited with status $ac_status" >&5
+echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+( exit $ac_status )
+ac_cv_header_stdc=no
+fi
+rm -f core core.* *.core gmon.out bb.out conftest$ac_exeext conftest.$ac_objext conftest.$ac_ext
+fi
+fi
+fi
+echo "$as_me:$LINENO: result: $ac_cv_header_stdc" >&5
+echo "${ECHO_T}$ac_cv_header_stdc" >&6
+if test $ac_cv_header_stdc = yes; then
+
+cat >>confdefs.h <<\_ACEOF
+#define STDC_HEADERS 1
+_ACEOF
+
+fi
+
+# On IRIX 5.3, sys/types and inttypes.h are conflicting.
+
+
+
+
+
+
+
+
+
+for ac_header in sys/types.h sys/stat.h stdlib.h string.h memory.h strings.h \
+ inttypes.h stdint.h unistd.h
+do
+as_ac_Header=`echo "ac_cv_header_$ac_header" | $as_tr_sh`
+echo "$as_me:$LINENO: checking for $ac_header" >&5
+echo $ECHO_N "checking for $ac_header... $ECHO_C" >&6
+if eval "test \"\${$as_ac_Header+set}\" = set"; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+$ac_includes_default
+
+#include <$ac_header>
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ eval "$as_ac_Header=yes"
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+eval "$as_ac_Header=no"
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+fi
+echo "$as_me:$LINENO: result: `eval echo '${'$as_ac_Header'}'`" >&5
+echo "${ECHO_T}`eval echo '${'$as_ac_Header'}'`" >&6
+if test `eval echo '${'$as_ac_Header'}'` = yes; then
+ cat >>confdefs.h <<_ACEOF
+#define `echo "HAVE_$ac_header" | $as_tr_cpp` 1
+_ACEOF
+
+fi
+
+done
+
+
+
+
+for ac_header in stdlib.h string.h
+do
+as_ac_Header=`echo "ac_cv_header_$ac_header" | $as_tr_sh`
+if eval "test \"\${$as_ac_Header+set}\" = set"; then
+ echo "$as_me:$LINENO: checking for $ac_header" >&5
+echo $ECHO_N "checking for $ac_header... $ECHO_C" >&6
+if eval "test \"\${$as_ac_Header+set}\" = set"; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+fi
+echo "$as_me:$LINENO: result: `eval echo '${'$as_ac_Header'}'`" >&5
+echo "${ECHO_T}`eval echo '${'$as_ac_Header'}'`" >&6
+else
+ # Is the header compilable?
+echo "$as_me:$LINENO: checking $ac_header usability" >&5
+echo $ECHO_N "checking $ac_header usability... $ECHO_C" >&6
+cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+$ac_includes_default
+#include <$ac_header>
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ ac_header_compiler=yes
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+ac_header_compiler=no
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+echo "$as_me:$LINENO: result: $ac_header_compiler" >&5
+echo "${ECHO_T}$ac_header_compiler" >&6
+
+# Is the header present?
+echo "$as_me:$LINENO: checking $ac_header presence" >&5
+echo $ECHO_N "checking $ac_header presence... $ECHO_C" >&6
+cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+#include <$ac_header>
+_ACEOF
+if { (eval echo "$as_me:$LINENO: \"$ac_cpp conftest.$ac_ext\"") >&5
+ (eval $ac_cpp conftest.$ac_ext) 2>conftest.er1
+ ac_status=$?
+ grep -v '^ *+' conftest.er1 >conftest.err
+ rm -f conftest.er1
+ cat conftest.err >&5
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } >/dev/null; then
+ if test -s conftest.err; then
+ ac_cpp_err=$ac_c_preproc_warn_flag
+ else
+ ac_cpp_err=
+ fi
+else
+ ac_cpp_err=yes
+fi
+if test -z "$ac_cpp_err"; then
+ ac_header_preproc=yes
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+ ac_header_preproc=no
+fi
+rm -f conftest.err conftest.$ac_ext
+echo "$as_me:$LINENO: result: $ac_header_preproc" >&5
+echo "${ECHO_T}$ac_header_preproc" >&6
+
+# So? What about this header?
+case $ac_header_compiler:$ac_header_preproc in
+ yes:no )
+ { echo "$as_me:$LINENO: WARNING: $ac_header: accepted by the compiler, rejected by the preprocessor!" >&5
+echo "$as_me: WARNING: $ac_header: accepted by the compiler, rejected by the preprocessor!" >&2;}
+ { echo "$as_me:$LINENO: WARNING: $ac_header: proceeding with the preprocessor's result" >&5
+echo "$as_me: WARNING: $ac_header: proceeding with the preprocessor's result" >&2;}
+ (
+ cat <<\_ASBOX
+## ------------------------------------ ##
+## Report this to bug-autoconf at gnu.org. ##
+## ------------------------------------ ##
+_ASBOX
+ ) |
+ sed "s/^/$as_me: WARNING: /" >&2
+ ;;
+ no:yes )
+ { echo "$as_me:$LINENO: WARNING: $ac_header: present but cannot be compiled" >&5
+echo "$as_me: WARNING: $ac_header: present but cannot be compiled" >&2;}
+ { echo "$as_me:$LINENO: WARNING: $ac_header: check for missing prerequisite headers?" >&5
+echo "$as_me: WARNING: $ac_header: check for missing prerequisite headers?" >&2;}
+ { echo "$as_me:$LINENO: WARNING: $ac_header: proceeding with the preprocessor's result" >&5
+echo "$as_me: WARNING: $ac_header: proceeding with the preprocessor's result" >&2;}
+ (
+ cat <<\_ASBOX
+## ------------------------------------ ##
+## Report this to bug-autoconf at gnu.org. ##
+## ------------------------------------ ##
+_ASBOX
+ ) |
+ sed "s/^/$as_me: WARNING: /" >&2
+ ;;
+esac
+echo "$as_me:$LINENO: checking for $ac_header" >&5
+echo $ECHO_N "checking for $ac_header... $ECHO_C" >&6
+if eval "test \"\${$as_ac_Header+set}\" = set"; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ eval "$as_ac_Header=$ac_header_preproc"
+fi
+echo "$as_me:$LINENO: result: `eval echo '${'$as_ac_Header'}'`" >&5
+echo "${ECHO_T}`eval echo '${'$as_ac_Header'}'`" >&6
+
+fi
+if test `eval echo '${'$as_ac_Header'}'` = yes; then
+ cat >>confdefs.h <<_ACEOF
+#define `echo "HAVE_$ac_header" | $as_tr_cpp` 1
+_ACEOF
+
+fi
+
+done
+
+
+# Checks for typedefs, structures, and compiler characteristics.
+echo "$as_me:$LINENO: checking for an ANSI C-conforming const" >&5
+echo $ECHO_N "checking for an ANSI C-conforming const... $ECHO_C" >&6
+if test "${ac_cv_c_const+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+
+int
+main ()
+{
+/* FIXME: Include the comments suggested by Paul. */
+#ifndef __cplusplus
+ /* Ultrix mips cc rejects this. */
+ typedef int charset[2];
+ const charset x;
+ /* SunOS 4.1.1 cc rejects this. */
+ char const *const *ccp;
+ char **p;
+ /* NEC SVR4.0.2 mips cc rejects this. */
+ struct point {int x, y;};
+ static struct point const zero = {0,0};
+ /* AIX XL C 1.02.0.0 rejects this.
+ It does not let you subtract one const X* pointer from another in
+ an arm of an if-expression whose if-part is not a constant
+ expression */
+ const char *g = "string";
+ ccp = &g + (g ? g-g : 0);
+ /* HPUX 7.0 cc rejects these. */
+ ++ccp;
+ p = (char**) ccp;
+ ccp = (char const *const *) p;
+ { /* SCO 3.2v4 cc rejects this. */
+ char *t;
+ char const *s = 0 ? (char *) 0 : (char const *) 0;
+
+ *t++ = 0;
+ }
+ { /* Someone thinks the Sun supposedly-ANSI compiler will reject this. */
+ int x[] = {25, 17};
+ const int *foo = &x[0];
+ ++foo;
+ }
+ { /* Sun SC1.0 ANSI compiler rejects this -- but not the above. */
+ typedef const int *iptr;
+ iptr p = 0;
+ ++p;
+ }
+ { /* AIX XL C 1.02.0.0 rejects this saying
+ "k.c", line 2.27: 1506-025 (S) Operand must be a modifiable lvalue. */
+ struct s { int j; const int *ap[3]; };
+ struct s *b; b->j = 5;
+ }
+ { /* ULTRIX-32 V3.1 (Rev 9) vcc rejects this */
+ const int foo = 10;
+ }
+#endif
+
+ ;
+ return 0;
+}
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ ac_cv_c_const=yes
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+ac_cv_c_const=no
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+fi
+echo "$as_me:$LINENO: result: $ac_cv_c_const" >&5
+echo "${ECHO_T}$ac_cv_c_const" >&6
+if test $ac_cv_c_const = no; then
+
+cat >>confdefs.h <<\_ACEOF
+#define const
+_ACEOF
+
+fi
+
+echo "$as_me:$LINENO: checking for inline" >&5
+echo $ECHO_N "checking for inline... $ECHO_C" >&6
+if test "${ac_cv_c_inline+set}" = set; then
+ echo $ECHO_N "(cached) $ECHO_C" >&6
+else
+ ac_cv_c_inline=no
+for ac_kw in inline __inline__ __inline; do
+ cat >conftest.$ac_ext <<_ACEOF
+#line $LINENO "configure"
+/* confdefs.h. */
+_ACEOF
+cat confdefs.h >>conftest.$ac_ext
+cat >>conftest.$ac_ext <<_ACEOF
+/* end confdefs.h. */
+#ifndef __cplusplus
+typedef int foo_t;
+static $ac_kw foo_t static_foo () {return 0; }
+$ac_kw foo_t foo () {return 0; }
+#endif
+
+_ACEOF
+rm -f conftest.$ac_objext
+if { (eval echo "$as_me:$LINENO: \"$ac_compile\"") >&5
+ (eval $ac_compile) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); } &&
+ { ac_try='test -s conftest.$ac_objext'
+ { (eval echo "$as_me:$LINENO: \"$ac_try\"") >&5
+ (eval $ac_try) 2>&5
+ ac_status=$?
+ echo "$as_me:$LINENO: \$? = $ac_status" >&5
+ (exit $ac_status); }; }; then
+ ac_cv_c_inline=$ac_kw; break
+else
+ echo "$as_me: failed program was:" >&5
+sed 's/^/| /' conftest.$ac_ext >&5
+
+fi
+rm -f conftest.$ac_objext conftest.$ac_ext
+done
+
+fi
+echo "$as_me:$LINENO: result: $ac_cv_c_inline" >&5
+echo "${ECHO_T}$ac_cv_c_inline" >&6
+case $ac_cv_c_inline in
+ inline | yes) ;;
+ no)
+cat >>confdefs.h <<\_ACEOF
+#define inline
+_ACEOF
+ ;;
+ *) cat >>confdefs.h <<_ACEOF
+#define inline $ac_cv_c_inline
+_ACEOF
+ ;;
+esac
+
+
+# Write makefiles/config files.
+ ac_config_files="$ac_config_files Makefile tests/Makefile examples/Makefile btk/Makefile btk/core/Makefile"
+
+cat >confcache <<\_ACEOF
+# This file is a shell script that caches the results of configure
+# tests run on this system so they can be shared between configure
+# scripts and configure runs, see configure's option --config-cache.
+# It is not useful on other systems. If it contains results you don't
+# want to keep, you may remove or edit it.
+#
+# config.status only pays attention to the cache file if you give it
+# the --recheck option to rerun configure.
+#
+# `ac_cv_env_foo' variables (set or unset) will be overridden when
+# loading this file, other *unset* `ac_cv_foo' will be assigned the
+# following values.
+
+_ACEOF
+
+# The following way of writing the cache mishandles newlines in values,
+# but we know of no workaround that is simple, portable, and efficient.
+# So, don't put newlines in cache variables' values.
+# Ultrix sh set writes to stderr and can't be redirected directly,
+# and sets the high bit in the cache file unless we assign to the vars.
+{
+ (set) 2>&1 |
+ case `(ac_space=' '; set | grep ac_space) 2>&1` in
+ *ac_space=\ *)
+ # `set' does not quote correctly, so add quotes (double-quote
+ # substitution turns \\\\ into \\, and sed turns \\ into \).
+ sed -n \
+ "s/'/'\\\\''/g;
+ s/^\\([_$as_cr_alnum]*_cv_[_$as_cr_alnum]*\\)=\\(.*\\)/\\1='\\2'/p"
+ ;;
+ *)
+ # `set' quotes correctly as required by POSIX, so do not add quotes.
+ sed -n \
+ "s/^\\([_$as_cr_alnum]*_cv_[_$as_cr_alnum]*\\)=\\(.*\\)/\\1=\\2/p"
+ ;;
+ esac;
+} |
+ sed '
+ t clear
+ : clear
+ s/^\([^=]*\)=\(.*[{}].*\)$/test "${\1+set}" = set || &/
+ t end
+ /^ac_cv_env/!s/^\([^=]*\)=\(.*\)$/\1=${\1=\2}/
+ : end' >>confcache
+if diff $cache_file confcache >/dev/null 2>&1; then :; else
+ if test -w $cache_file; then
+ test "x$cache_file" != "x/dev/null" && echo "updating cache $cache_file"
+ cat confcache >$cache_file
+ else
+ echo "not updating unwritable cache $cache_file"
+ fi
+fi
+rm -f confcache
+
+test "x$prefix" = xNONE && prefix=$ac_default_prefix
+# Let make expand exec_prefix.
+test "x$exec_prefix" = xNONE && exec_prefix='${prefix}'
+
+# VPATH may cause trouble with some makes, so we remove $(srcdir),
+# ${srcdir} and @srcdir@ from VPATH if srcdir is ".", strip leading and
+# trailing colons and then remove the whole line if VPATH becomes empty
+# (actually we leave an empty line to preserve line numbers).
+if test "x$srcdir" = x.; then
+ ac_vpsub='/^[ ]*VPATH[ ]*=/{
+s/:*\$(srcdir):*/:/;
+s/:*\${srcdir}:*/:/;
+s/:*@srcdir@:*/:/;
+s/^\([^=]*=[ ]*\):*/\1/;
+s/:*$//;
+s/^[^=]*=[ ]*$//;
+}'
+fi
+
+DEFS=-DHAVE_CONFIG_H
+
+ac_libobjs=
+ac_ltlibobjs=
+for ac_i in : $LIBOBJS; do test "x$ac_i" = x: && continue
+ # 1. Remove the extension, and $U if already installed.
+ ac_i=`echo "$ac_i" |
+ sed 's/\$U\././;s/\.o$//;s/\.obj$//'`
+ # 2. Add them.
+ ac_libobjs="$ac_libobjs $ac_i\$U.$ac_objext"
+ ac_ltlibobjs="$ac_ltlibobjs $ac_i"'$U.lo'
+done
+LIBOBJS=$ac_libobjs
+
+LTLIBOBJS=$ac_ltlibobjs
+
+
+if test -z "${AMDEP_TRUE}" && test -z "${AMDEP_FALSE}"; then
+ { { echo "$as_me:$LINENO: error: conditional \"AMDEP\" was never defined.
+Usually this means the macro was only invoked conditionally." >&5
+echo "$as_me: error: conditional \"AMDEP\" was never defined.
+Usually this means the macro was only invoked conditionally." >&2;}
+ { (exit 1); exit 1; }; }
+fi
+
+: ${CONFIG_STATUS=./config.status}
+ac_clean_files_save=$ac_clean_files
+ac_clean_files="$ac_clean_files $CONFIG_STATUS"
+{ echo "$as_me:$LINENO: creating $CONFIG_STATUS" >&5
+echo "$as_me: creating $CONFIG_STATUS" >&6;}
+cat >$CONFIG_STATUS <<_ACEOF
+#! $SHELL
+# Generated by $as_me.
+# Run this file to recreate the current configuration.
+# Compiler output produced by configure, useful for debugging
+# configure, is in config.log if it exists.
+
+debug=false
+ac_cs_recheck=false
+ac_cs_silent=false
+SHELL=\${CONFIG_SHELL-$SHELL}
+_ACEOF
+
+cat >>$CONFIG_STATUS <<\_ACEOF
+## --------------------- ##
+## M4sh Initialization. ##
+## --------------------- ##
+
+# Be Bourne compatible
+if test -n "${ZSH_VERSION+set}" && (emulate sh) >/dev/null 2>&1; then
+ emulate sh
+ NULLCMD=:
+ # Zsh 3.x and 4.x performs word splitting on ${1+"$@"}, which
+ # is contrary to our usage. Disable this feature.
+ alias -g '${1+"$@"}'='"$@"'
+elif test -n "${BASH_VERSION+set}" && (set -o posix) >/dev/null 2>&1; then
+ set -o posix
+fi
+
+# Support unset when possible.
+if (FOO=FOO; unset FOO) >/dev/null 2>&1; then
+ as_unset=unset
+else
+ as_unset=false
+fi
+
+
+# Work around bugs in pre-3.0 UWIN ksh.
+$as_unset ENV MAIL MAILPATH
+PS1='$ '
+PS2='> '
+PS4='+ '
+
+# NLS nuisances.
+for as_var in \
+ LANG LANGUAGE LC_ADDRESS LC_ALL LC_COLLATE LC_CTYPE LC_IDENTIFICATION \
+ LC_MEASUREMENT LC_MESSAGES LC_MONETARY LC_NAME LC_NUMERIC LC_PAPER \
+ LC_TELEPHONE LC_TIME
+do
+ if (set +x; test -n "`(eval $as_var=C; export $as_var) 2>&1`"); then
+ eval $as_var=C; export $as_var
+ else
+ $as_unset $as_var
+ fi
+done
+
+# Required to use basename.
+if expr a : '\(a\)' >/dev/null 2>&1; then
+ as_expr=expr
+else
+ as_expr=false
+fi
+
+if (basename /) >/dev/null 2>&1 && test "X`basename / 2>&1`" = "X/"; then
+ as_basename=basename
+else
+ as_basename=false
+fi
+
+
+# Name of the executable.
+as_me=`$as_basename "$0" ||
+$as_expr X/"$0" : '.*/\([^/][^/]*\)/*$' \| \
+ X"$0" : 'X\(//\)$' \| \
+ X"$0" : 'X\(/\)$' \| \
+ . : '\(.\)' 2>/dev/null ||
+echo X/"$0" |
+ sed '/^.*\/\([^/][^/]*\)\/*$/{ s//\1/; q; }
+ /^X\/\(\/\/\)$/{ s//\1/; q; }
+ /^X\/\(\/\).*/{ s//\1/; q; }
+ s/.*/./; q'`
+
+
+# PATH needs CR, and LINENO needs CR and PATH.
+# Avoid depending upon Character Ranges.
+as_cr_letters='abcdefghijklmnopqrstuvwxyz'
+as_cr_LETTERS='ABCDEFGHIJKLMNOPQRSTUVWXYZ'
+as_cr_Letters=$as_cr_letters$as_cr_LETTERS
+as_cr_digits='0123456789'
+as_cr_alnum=$as_cr_Letters$as_cr_digits
+
+# The user is always right.
+if test "${PATH_SEPARATOR+set}" != set; then
+ echo "#! /bin/sh" >conf$$.sh
+ echo "exit 0" >>conf$$.sh
+ chmod +x conf$$.sh
+ if (PATH="/nonexistent;."; conf$$.sh) >/dev/null 2>&1; then
+ PATH_SEPARATOR=';'
+ else
+ PATH_SEPARATOR=:
+ fi
+ rm -f conf$$.sh
+fi
+
+
+ as_lineno_1=$LINENO
+ as_lineno_2=$LINENO
+ as_lineno_3=`(expr $as_lineno_1 + 1) 2>/dev/null`
+ test "x$as_lineno_1" != "x$as_lineno_2" &&
+ test "x$as_lineno_3" = "x$as_lineno_2" || {
+ # Find who we are. Look in the path if we contain no path at all
+ # relative or not.
+ case $0 in
+ *[\\/]* ) as_myself=$0 ;;
+ *) as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in $PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ test -r "$as_dir/$0" && as_myself=$as_dir/$0 && break
+done
+
+ ;;
+ esac
+ # We did not find ourselves, most probably we were run as `sh COMMAND'
+ # in which case we are not to be found in the path.
+ if test "x$as_myself" = x; then
+ as_myself=$0
+ fi
+ if test ! -f "$as_myself"; then
+ { { echo "$as_me:$LINENO: error: cannot find myself; rerun with an absolute path" >&5
+echo "$as_me: error: cannot find myself; rerun with an absolute path" >&2;}
+ { (exit 1); exit 1; }; }
+ fi
+ case $CONFIG_SHELL in
+ '')
+ as_save_IFS=$IFS; IFS=$PATH_SEPARATOR
+for as_dir in /bin$PATH_SEPARATOR/usr/bin$PATH_SEPARATOR$PATH
+do
+ IFS=$as_save_IFS
+ test -z "$as_dir" && as_dir=.
+ for as_base in sh bash ksh sh5; do
+ case $as_dir in
+ /*)
+ if ("$as_dir/$as_base" -c '
+ as_lineno_1=$LINENO
+ as_lineno_2=$LINENO
+ as_lineno_3=`(expr $as_lineno_1 + 1) 2>/dev/null`
+ test "x$as_lineno_1" != "x$as_lineno_2" &&
+ test "x$as_lineno_3" = "x$as_lineno_2" ') 2>/dev/null; then
+ $as_unset BASH_ENV || test "${BASH_ENV+set}" != set || { BASH_ENV=; export BASH_ENV; }
+ $as_unset ENV || test "${ENV+set}" != set || { ENV=; export ENV; }
+ CONFIG_SHELL=$as_dir/$as_base
+ export CONFIG_SHELL
+ exec "$CONFIG_SHELL" "$0" ${1+"$@"}
+ fi;;
+ esac
+ done
+done
+;;
+ esac
+
+ # Create $as_me.lineno as a copy of $as_myself, but with $LINENO
+ # uniformly replaced by the line number. The first 'sed' inserts a
+ # line-number line before each line; the second 'sed' does the real
+ # work. The second script uses 'N' to pair each line-number line
+ # with the numbered line, and appends trailing '-' during
+ # substitution so that $LINENO is not a special case at line end.
+ # (Raja R Harinath suggested sed '=', and Paul Eggert wrote the
+ # second 'sed' script. Blame Lee E. McMahon for sed's syntax. :-)
+ sed '=' <$as_myself |
+ sed '
+ N
+ s,$,-,
+ : loop
+ s,^\(['$as_cr_digits']*\)\(.*\)[$]LINENO\([^'$as_cr_alnum'_]\),\1\2\1\3,
+ t loop
+ s,-$,,
+ s,^['$as_cr_digits']*\n,,
+ ' >$as_me.lineno &&
+ chmod +x $as_me.lineno ||
+ { { echo "$as_me:$LINENO: error: cannot create $as_me.lineno; rerun with a POSIX shell" >&5
+echo "$as_me: error: cannot create $as_me.lineno; rerun with a POSIX shell" >&2;}
+ { (exit 1); exit 1; }; }
+
+ # Don't try to exec as it changes $[0], causing all sort of problems
+ # (the dirname of $[0] is not the place where we might find the
+ # original and so on. Autoconf is especially sensible to this).
+ . ./$as_me.lineno
+ # Exit status is that of the last command.
+ exit
+}
+
+
+case `echo "testing\c"; echo 1,2,3`,`echo -n testing; echo 1,2,3` in
+ *c*,-n*) ECHO_N= ECHO_C='
+' ECHO_T=' ' ;;
+ *c*,* ) ECHO_N=-n ECHO_C= ECHO_T= ;;
+ *) ECHO_N= ECHO_C='\c' ECHO_T= ;;
+esac
+
+if expr a : '\(a\)' >/dev/null 2>&1; then
+ as_expr=expr
+else
+ as_expr=false
+fi
+
+rm -f conf$$ conf$$.exe conf$$.file
+echo >conf$$.file
+if ln -s conf$$.file conf$$ 2>/dev/null; then
+ # We could just check for DJGPP; but this test a) works b) is more generic
+ # and c) will remain valid once DJGPP supports symlinks (DJGPP 2.04).
+ if test -f conf$$.exe; then
+ # Don't use ln at all; we don't have any links
+ as_ln_s='cp -p'
+ else
+ as_ln_s='ln -s'
+ fi
+elif ln conf$$.file conf$$ 2>/dev/null; then
+ as_ln_s=ln
+else
+ as_ln_s='cp -p'
+fi
+rm -f conf$$ conf$$.exe conf$$.file
+
+if mkdir -p . 2>/dev/null; then
+ as_mkdir_p=:
+else
+ as_mkdir_p=false
+fi
+
+as_executable_p="test -f"
+
+# Sed expression to map a string onto a valid CPP name.
+as_tr_cpp="sed y%*$as_cr_letters%P$as_cr_LETTERS%;s%[^_$as_cr_alnum]%_%g"
+
+# Sed expression to map a string onto a valid variable name.
+as_tr_sh="sed y%*+%pp%;s%[^_$as_cr_alnum]%_%g"
+
+
+# IFS
+# We need space, tab and new line, in precisely that order.
+as_nl='
+'
+IFS=" $as_nl"
+
+# CDPATH.
+$as_unset CDPATH
+
+exec 6>&1
+
+# Open the log real soon, to keep \$[0] and so on meaningful, and to
+# report actual input values of CONFIG_FILES etc. instead of their
+# values after options handling. Logging --version etc. is OK.
+exec 5>>config.log
+{
+ echo
+ sed 'h;s/./-/g;s/^.../## /;s/...$/ ##/;p;x;p;x' <<_ASBOX
+## Running $as_me. ##
+_ASBOX
+} >&5
+cat >&5 <<_CSEOF
+
+This file was extended by btk_core $as_me 0.8.1, which was
+generated by GNU Autoconf 2.57. Invocation command line was
+
+ CONFIG_FILES = $CONFIG_FILES
+ CONFIG_HEADERS = $CONFIG_HEADERS
+ CONFIG_LINKS = $CONFIG_LINKS
+ CONFIG_COMMANDS = $CONFIG_COMMANDS
+ $ $0 $@
+
+_CSEOF
+echo "on `(hostname || uname -n) 2>/dev/null | sed 1q`" >&5
+echo >&5
+_ACEOF
+
+# Files that config.status was made for.
+if test -n "$ac_config_files"; then
+ echo "config_files=\"$ac_config_files\"" >>$CONFIG_STATUS
+fi
+
+if test -n "$ac_config_headers"; then
+ echo "config_headers=\"$ac_config_headers\"" >>$CONFIG_STATUS
+fi
+
+if test -n "$ac_config_links"; then
+ echo "config_links=\"$ac_config_links\"" >>$CONFIG_STATUS
+fi
+
+if test -n "$ac_config_commands"; then
+ echo "config_commands=\"$ac_config_commands\"" >>$CONFIG_STATUS
+fi
+
+cat >>$CONFIG_STATUS <<\_ACEOF
+
+ac_cs_usage="\
+\`$as_me' instantiates files from templates according to the
+current configuration.
+
+Usage: $0 [OPTIONS] [FILE]...
+
+ -h, --help print this help, then exit
+ -V, --version print version number, then exit
+ -q, --quiet do not print progress messages
+ -d, --debug don't remove temporary files
+ --recheck update $as_me by reconfiguring in the same conditions
+ --file=FILE[:TEMPLATE]
+ instantiate the configuration file FILE
+ --header=FILE[:TEMPLATE]
+ instantiate the configuration header FILE
+
+Configuration files:
+$config_files
+
+Configuration headers:
+$config_headers
+
+Configuration commands:
+$config_commands
+
+Report bugs to <bug-autoconf at gnu.org>."
+_ACEOF
+
+cat >>$CONFIG_STATUS <<_ACEOF
+ac_cs_version="\\
+btk_core config.status 0.8.1
+configured by $0, generated by GNU Autoconf 2.57,
+ with options \\"`echo "$ac_configure_args" | sed 's/[\\""\`\$]/\\\\&/g'`\\"
+
+Copyright 1992, 1993, 1994, 1995, 1996, 1998, 1999, 2000, 2001
+Free Software Foundation, Inc.
+This config.status script is free software; the Free Software Foundation
+gives unlimited permission to copy, distribute and modify it."
+srcdir=$srcdir
+INSTALL="$INSTALL"
+_ACEOF
+
+cat >>$CONFIG_STATUS <<\_ACEOF
+# If no file are specified by the user, then we need to provide default
+# value. By we need to know if files were specified by the user.
+ac_need_defaults=:
+while test $# != 0
+do
+ case $1 in
+ --*=*)
+ ac_option=`expr "x$1" : 'x\([^=]*\)='`
+ ac_optarg=`expr "x$1" : 'x[^=]*=\(.*\)'`
+ ac_shift=:
+ ;;
+ -*)
+ ac_option=$1
+ ac_optarg=$2
+ ac_shift=shift
+ ;;
+ *) # This is not an option, so the user has probably given explicit
+ # arguments.
+ ac_option=$1
+ ac_need_defaults=false;;
+ esac
+
+ case $ac_option in
+ # Handling of the options.
+_ACEOF
+cat >>$CONFIG_STATUS <<\_ACEOF
+ -recheck | --recheck | --rechec | --reche | --rech | --rec | --re | --r)
+ ac_cs_recheck=: ;;
+ --version | --vers* | -V )
+ echo "$ac_cs_version"; exit 0 ;;
+ --he | --h)
+ # Conflict between --help and --header
+ { { echo "$as_me:$LINENO: error: ambiguous option: $1
+Try \`$0 --help' for more information." >&5
+echo "$as_me: error: ambiguous option: $1
+Try \`$0 --help' for more information." >&2;}
+ { (exit 1); exit 1; }; };;
+ --help | --hel | -h )
+ echo "$ac_cs_usage"; exit 0 ;;
+ --debug | --d* | -d )
+ debug=: ;;
+ --file | --fil | --fi | --f )
+ $ac_shift
+ CONFIG_FILES="$CONFIG_FILES $ac_optarg"
+ ac_need_defaults=false;;
+ --header | --heade | --head | --hea )
+ $ac_shift
+ CONFIG_HEADERS="$CONFIG_HEADERS $ac_optarg"
+ ac_need_defaults=false;;
+ -q | -quiet | --quiet | --quie | --qui | --qu | --q \
+ | -silent | --silent | --silen | --sile | --sil | --si | --s)
+ ac_cs_silent=: ;;
+
+ # This is an error.
+ -*) { { echo "$as_me:$LINENO: error: unrecognized option: $1
+Try \`$0 --help' for more information." >&5
+echo "$as_me: error: unrecognized option: $1
+Try \`$0 --help' for more information." >&2;}
+ { (exit 1); exit 1; }; } ;;
+
+ *) ac_config_targets="$ac_config_targets $1" ;;
+
+ esac
+ shift
+done
+
+ac_configure_extra_args=
+
+if $ac_cs_silent; then
+ exec 6>/dev/null
+ ac_configure_extra_args="$ac_configure_extra_args --silent"
+fi
+
+_ACEOF
+cat >>$CONFIG_STATUS <<_ACEOF
+if \$ac_cs_recheck; then
+ echo "running $SHELL $0 " $ac_configure_args \$ac_configure_extra_args " --no-create --no-recursion" >&6
+ exec $SHELL $0 $ac_configure_args \$ac_configure_extra_args --no-create --no-recursion
+fi
+
+_ACEOF
+
+cat >>$CONFIG_STATUS <<_ACEOF
+#
+# INIT-COMMANDS section.
+#
+
+PACKAGE="$PACKAGE"
+AMDEP_TRUE="$AMDEP_TRUE" ac_aux_dir="$ac_aux_dir"
+
+_ACEOF
+
+
+
+cat >>$CONFIG_STATUS <<\_ACEOF
+for ac_config_target in $ac_config_targets
+do
+ case "$ac_config_target" in
+ # Handling of arguments.
+ "Makefile" ) CONFIG_FILES="$CONFIG_FILES Makefile" ;;
+ "tests/Makefile" ) CONFIG_FILES="$CONFIG_FILES tests/Makefile" ;;
+ "examples/Makefile" ) CONFIG_FILES="$CONFIG_FILES examples/Makefile" ;;
+ "btk/Makefile" ) CONFIG_FILES="$CONFIG_FILES btk/Makefile" ;;
+ "btk/core/Makefile" ) CONFIG_FILES="$CONFIG_FILES btk/core/Makefile" ;;
+ "btk/core/config/btk_core_config.h" ) CONFIG_COMMANDS="$CONFIG_COMMANDS btk/core/config/btk_core_config.h" ;;
+ "depfiles" ) CONFIG_COMMANDS="$CONFIG_COMMANDS depfiles" ;;
+ "btk/core/config/config.h" ) CONFIG_HEADERS="$CONFIG_HEADERS btk/core/config/config.h" ;;
+ *) { { echo "$as_me:$LINENO: error: invalid argument: $ac_config_target" >&5
+echo "$as_me: error: invalid argument: $ac_config_target" >&2;}
+ { (exit 1); exit 1; }; };;
+ esac
+done
+
+# If the user did not use the arguments to specify the items to instantiate,
+# then the envvar interface is used. Set only those that are not.
+# We use the long form for the default assignment because of an extremely
+# bizarre bug on SunOS 4.1.3.
+if $ac_need_defaults; then
+ test "${CONFIG_FILES+set}" = set || CONFIG_FILES=$config_files
+ test "${CONFIG_HEADERS+set}" = set || CONFIG_HEADERS=$config_headers
+ test "${CONFIG_COMMANDS+set}" = set || CONFIG_COMMANDS=$config_commands
+fi
+
+# Have a temporary directory for convenience. Make it in the build tree
+# simply because there is no reason to put it here, and in addition,
+# creating and moving files from /tmp can sometimes cause problems.
+# Create a temporary directory, and hook for its removal unless debugging.
+$debug ||
+{
+ trap 'exit_status=$?; rm -rf $tmp && exit $exit_status' 0
+ trap '{ (exit 1); exit 1; }' 1 2 13 15
+}
+
+# Create a (secure) tmp directory for tmp files.
+
+{
+ tmp=`(umask 077 && mktemp -d -q "./confstatXXXXXX") 2>/dev/null` &&
+ test -n "$tmp" && test -d "$tmp"
+} ||
+{
+ tmp=./confstat$$-$RANDOM
+ (umask 077 && mkdir $tmp)
+} ||
+{
+ echo "$me: cannot create a temporary directory in ." >&2
+ { (exit 1); exit 1; }
+}
+
+_ACEOF
+
+cat >>$CONFIG_STATUS <<_ACEOF
+
+#
+# CONFIG_FILES section.
+#
+
+# No need to generate the scripts if there are no CONFIG_FILES.
+# This happens for instance when ./config.status config.h
+if test -n "\$CONFIG_FILES"; then
+ # Protect against being on the right side of a sed subst in config.status.
+ sed 's/,@/@@/; s/@,/@@/; s/,;t t\$/@;t t/; /@;t t\$/s/[\\\\&,]/\\\\&/g;
+ s/@@/,@/; s/@@/@,/; s/@;t t\$/,;t t/' >\$tmp/subs.sed <<\\CEOF
+s, at SHELL@,$SHELL,;t t
+s, at PATH_SEPARATOR@,$PATH_SEPARATOR,;t t
+s, at PACKAGE_NAME@,$PACKAGE_NAME,;t t
+s, at PACKAGE_TARNAME@,$PACKAGE_TARNAME,;t t
+s, at PACKAGE_VERSION@,$PACKAGE_VERSION,;t t
+s, at PACKAGE_STRING@,$PACKAGE_STRING,;t t
+s, at PACKAGE_BUGREPORT@,$PACKAGE_BUGREPORT,;t t
+s, at exec_prefix@,$exec_prefix,;t t
+s, at prefix@,$prefix,;t t
+s, at program_transform_name@,$program_transform_name,;t t
+s, at bindir@,$bindir,;t t
+s, at sbindir@,$sbindir,;t t
+s, at libexecdir@,$libexecdir,;t t
+s, at datadir@,$datadir,;t t
+s, at sysconfdir@,$sysconfdir,;t t
+s, at sharedstatedir@,$sharedstatedir,;t t
+s, at localstatedir@,$localstatedir,;t t
+s, at libdir@,$libdir,;t t
+s, at includedir@,$includedir,;t t
+s, at oldincludedir@,$oldincludedir,;t t
+s, at infodir@,$infodir,;t t
+s, at mandir@,$mandir,;t t
+s, at build_alias@,$build_alias,;t t
+s, at host_alias@,$host_alias,;t t
+s, at target_alias@,$target_alias,;t t
+s, at DEFS@,$DEFS,;t t
+s, at ECHO_C@,$ECHO_C,;t t
+s, at ECHO_N@,$ECHO_N,;t t
+s, at ECHO_T@,$ECHO_T,;t t
+s, at LIBS@,$LIBS,;t t
+s, at INSTALL_PROGRAM@,$INSTALL_PROGRAM,;t t
+s, at INSTALL_SCRIPT@,$INSTALL_SCRIPT,;t t
+s, at INSTALL_DATA@,$INSTALL_DATA,;t t
+s, at PACKAGE@,$PACKAGE,;t t
+s, at VERSION@,$VERSION,;t t
+s, at ACLOCAL@,$ACLOCAL,;t t
+s, at AUTOCONF@,$AUTOCONF,;t t
+s, at AUTOMAKE@,$AUTOMAKE,;t t
+s, at AUTOHEADER@,$AUTOHEADER,;t t
+s, at MAKEINFO@,$MAKEINFO,;t t
+s, at AMTAR@,$AMTAR,;t t
+s, at install_sh@,$install_sh,;t t
+s, at STRIP@,$STRIP,;t t
+s, at ac_ct_STRIP@,$ac_ct_STRIP,;t t
+s, at INSTALL_STRIP_PROGRAM@,$INSTALL_STRIP_PROGRAM,;t t
+s, at AWK@,$AWK,;t t
+s, at SET_MAKE@,$SET_MAKE,;t t
+s, at CXX@,$CXX,;t t
+s, at CXXFLAGS@,$CXXFLAGS,;t t
+s, at LDFLAGS@,$LDFLAGS,;t t
+s, at CPPFLAGS@,$CPPFLAGS,;t t
+s, at ac_ct_CXX@,$ac_ct_CXX,;t t
+s, at EXEEXT@,$EXEEXT,;t t
+s, at OBJEXT@,$OBJEXT,;t t
+s, at DEPDIR@,$DEPDIR,;t t
+s, at am__include@,$am__include,;t t
+s, at am__quote@,$am__quote,;t t
+s, at AMDEP_TRUE@,$AMDEP_TRUE,;t t
+s, at AMDEP_FALSE@,$AMDEP_FALSE,;t t
+s, at AMDEPBACKSLASH@,$AMDEPBACKSLASH,;t t
+s, at CXXDEPMODE@,$CXXDEPMODE,;t t
+s, at CC@,$CC,;t t
+s, at CFLAGS@,$CFLAGS,;t t
+s, at ac_ct_CC@,$ac_ct_CC,;t t
+s, at CCDEPMODE@,$CCDEPMODE,;t t
+s, at RANLIB@,$RANLIB,;t t
+s, at ac_ct_RANLIB@,$ac_ct_RANLIB,;t t
+s, at LN_S@,$LN_S,;t t
+s, at CPP@,$CPP,;t t
+s, at EGREP@,$EGREP,;t t
+s, at LIBOBJS@,$LIBOBJS,;t t
+s, at LTLIBOBJS@,$LTLIBOBJS,;t t
+CEOF
+
+_ACEOF
+
+ cat >>$CONFIG_STATUS <<\_ACEOF
+ # Split the substitutions into bite-sized pieces for seds with
+ # small command number limits, like on Digital OSF/1 and HP-UX.
+ ac_max_sed_lines=48
+ ac_sed_frag=1 # Number of current file.
+ ac_beg=1 # First line for current file.
+ ac_end=$ac_max_sed_lines # Line after last line for current file.
+ ac_more_lines=:
+ ac_sed_cmds=
+ while $ac_more_lines; do
+ if test $ac_beg -gt 1; then
+ sed "1,${ac_beg}d; ${ac_end}q" $tmp/subs.sed >$tmp/subs.frag
+ else
+ sed "${ac_end}q" $tmp/subs.sed >$tmp/subs.frag
+ fi
+ if test ! -s $tmp/subs.frag; then
+ ac_more_lines=false
+ else
+ # The purpose of the label and of the branching condition is to
+ # speed up the sed processing (if there are no `@' at all, there
+ # is no need to browse any of the substitutions).
+ # These are the two extra sed commands mentioned above.
+ (echo ':t
+ /@[a-zA-Z_][a-zA-Z_0-9]*@/!b' && cat $tmp/subs.frag) >$tmp/subs-$ac_sed_frag.sed
+ if test -z "$ac_sed_cmds"; then
+ ac_sed_cmds="sed -f $tmp/subs-$ac_sed_frag.sed"
+ else
+ ac_sed_cmds="$ac_sed_cmds | sed -f $tmp/subs-$ac_sed_frag.sed"
+ fi
+ ac_sed_frag=`expr $ac_sed_frag + 1`
+ ac_beg=$ac_end
+ ac_end=`expr $ac_end + $ac_max_sed_lines`
+ fi
+ done
+ if test -z "$ac_sed_cmds"; then
+ ac_sed_cmds=cat
+ fi
+fi # test -n "$CONFIG_FILES"
+
+_ACEOF
+cat >>$CONFIG_STATUS <<\_ACEOF
+for ac_file in : $CONFIG_FILES; do test "x$ac_file" = x: && continue
+ # Support "outfile[:infile[:infile...]]", defaulting infile="outfile.in".
+ case $ac_file in
+ - | *:- | *:-:* ) # input from stdin
+ cat >$tmp/stdin
+ ac_file_in=`echo "$ac_file" | sed 's,[^:]*:,,'`
+ ac_file=`echo "$ac_file" | sed 's,:.*,,'` ;;
+ *:* ) ac_file_in=`echo "$ac_file" | sed 's,[^:]*:,,'`
+ ac_file=`echo "$ac_file" | sed 's,:.*,,'` ;;
+ * ) ac_file_in=$ac_file.in ;;
+ esac
+
+ # Compute @srcdir@, @top_srcdir@, and @INSTALL@ for subdirectories.
+ ac_dir=`(dirname "$ac_file") 2>/dev/null ||
+$as_expr X"$ac_file" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \
+ X"$ac_file" : 'X\(//\)[^/]' \| \
+ X"$ac_file" : 'X\(//\)$' \| \
+ X"$ac_file" : 'X\(/\)' \| \
+ . : '\(.\)' 2>/dev/null ||
+echo X"$ac_file" |
+ sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ s//\1/; q; }
+ /^X\(\/\/\)[^/].*/{ s//\1/; q; }
+ /^X\(\/\/\)$/{ s//\1/; q; }
+ /^X\(\/\).*/{ s//\1/; q; }
+ s/.*/./; q'`
+ { if $as_mkdir_p; then
+ mkdir -p "$ac_dir"
+ else
+ as_dir="$ac_dir"
+ as_dirs=
+ while test ! -d "$as_dir"; do
+ as_dirs="$as_dir $as_dirs"
+ as_dir=`(dirname "$as_dir") 2>/dev/null ||
+$as_expr X"$as_dir" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \
+ X"$as_dir" : 'X\(//\)[^/]' \| \
+ X"$as_dir" : 'X\(//\)$' \| \
+ X"$as_dir" : 'X\(/\)' \| \
+ . : '\(.\)' 2>/dev/null ||
+echo X"$as_dir" |
+ sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ s//\1/; q; }
+ /^X\(\/\/\)[^/].*/{ s//\1/; q; }
+ /^X\(\/\/\)$/{ s//\1/; q; }
+ /^X\(\/\).*/{ s//\1/; q; }
+ s/.*/./; q'`
+ done
+ test ! -n "$as_dirs" || mkdir $as_dirs
+ fi || { { echo "$as_me:$LINENO: error: cannot create directory \"$ac_dir\"" >&5
+echo "$as_me: error: cannot create directory \"$ac_dir\"" >&2;}
+ { (exit 1); exit 1; }; }; }
+
+ ac_builddir=.
+
+if test "$ac_dir" != .; then
+ ac_dir_suffix=/`echo "$ac_dir" | sed 's,^\.[\\/],,'`
+ # A "../" for each directory in $ac_dir_suffix.
+ ac_top_builddir=`echo "$ac_dir_suffix" | sed 's,/[^\\/]*,../,g'`
+else
+ ac_dir_suffix= ac_top_builddir=
+fi
+
+case $srcdir in
+ .) # No --srcdir option. We are building in place.
+ ac_srcdir=.
+ if test -z "$ac_top_builddir"; then
+ ac_top_srcdir=.
+ else
+ ac_top_srcdir=`echo $ac_top_builddir | sed 's,/$,,'`
+ fi ;;
+ [\\/]* | ?:[\\/]* ) # Absolute path.
+ ac_srcdir=$srcdir$ac_dir_suffix;
+ ac_top_srcdir=$srcdir ;;
+ *) # Relative path.
+ ac_srcdir=$ac_top_builddir$srcdir$ac_dir_suffix
+ ac_top_srcdir=$ac_top_builddir$srcdir ;;
+esac
+# Don't blindly perform a `cd "$ac_dir"/$ac_foo && pwd` since $ac_foo can be
+# absolute.
+ac_abs_builddir=`cd "$ac_dir" && cd $ac_builddir && pwd`
+ac_abs_top_builddir=`cd "$ac_dir" && cd ${ac_top_builddir}. && pwd`
+ac_abs_srcdir=`cd "$ac_dir" && cd $ac_srcdir && pwd`
+ac_abs_top_srcdir=`cd "$ac_dir" && cd $ac_top_srcdir && pwd`
+
+
+ case $INSTALL in
+ [\\/$]* | ?:[\\/]* ) ac_INSTALL=$INSTALL ;;
+ *) ac_INSTALL=$ac_top_builddir$INSTALL ;;
+ esac
+
+ if test x"$ac_file" != x-; then
+ { echo "$as_me:$LINENO: creating $ac_file" >&5
+echo "$as_me: creating $ac_file" >&6;}
+ rm -f "$ac_file"
+ fi
+ # Let's still pretend it is `configure' which instantiates (i.e., don't
+ # use $as_me), people would be surprised to read:
+ # /* config.h. Generated by config.status. */
+ if test x"$ac_file" = x-; then
+ configure_input=
+ else
+ configure_input="$ac_file. "
+ fi
+ configure_input=$configure_input"Generated from `echo $ac_file_in |
+ sed 's,.*/,,'` by configure."
+
+ # First look for the input files in the build tree, otherwise in the
+ # src tree.
+ ac_file_inputs=`IFS=:
+ for f in $ac_file_in; do
+ case $f in
+ -) echo $tmp/stdin ;;
+ [\\/$]*)
+ # Absolute (can't be DOS-style, as IFS=:)
+ test -f "$f" || { { echo "$as_me:$LINENO: error: cannot find input file: $f" >&5
+echo "$as_me: error: cannot find input file: $f" >&2;}
+ { (exit 1); exit 1; }; }
+ echo $f;;
+ *) # Relative
+ if test -f "$f"; then
+ # Build tree
+ echo $f
+ elif test -f "$srcdir/$f"; then
+ # Source tree
+ echo $srcdir/$f
+ else
+ # /dev/null tree
+ { { echo "$as_me:$LINENO: error: cannot find input file: $f" >&5
+echo "$as_me: error: cannot find input file: $f" >&2;}
+ { (exit 1); exit 1; }; }
+ fi;;
+ esac
+ done` || { (exit 1); exit 1; }
+_ACEOF
+cat >>$CONFIG_STATUS <<_ACEOF
+ sed "$ac_vpsub
+$extrasub
+_ACEOF
+cat >>$CONFIG_STATUS <<\_ACEOF
+:t
+/@[a-zA-Z_][a-zA-Z_0-9]*@/!b
+s, at configure_input@,$configure_input,;t t
+s, at srcdir@,$ac_srcdir,;t t
+s, at abs_srcdir@,$ac_abs_srcdir,;t t
+s, at top_srcdir@,$ac_top_srcdir,;t t
+s, at abs_top_srcdir@,$ac_abs_top_srcdir,;t t
+s, at builddir@,$ac_builddir,;t t
+s, at abs_builddir@,$ac_abs_builddir,;t t
+s, at top_builddir@,$ac_top_builddir,;t t
+s, at abs_top_builddir@,$ac_abs_top_builddir,;t t
+s, at INSTALL@,$ac_INSTALL,;t t
+" $ac_file_inputs | (eval "$ac_sed_cmds") >$tmp/out
+ rm -f $tmp/stdin
+ if test x"$ac_file" != x-; then
+ mv $tmp/out $ac_file
+ else
+ cat $tmp/out
+ rm -f $tmp/out
+ fi
+
+done
+_ACEOF
+cat >>$CONFIG_STATUS <<\_ACEOF
+
+#
+# CONFIG_HEADER section.
+#
+
+# These sed commands are passed to sed as "A NAME B NAME C VALUE D", where
+# NAME is the cpp macro being defined and VALUE is the value it is being given.
+#
+# ac_d sets the value in "#define NAME VALUE" lines.
+ac_dA='s,^\([ ]*\)#\([ ]*define[ ][ ]*\)'
+ac_dB='[ ].*$,\1#\2'
+ac_dC=' '
+ac_dD=',;t'
+# ac_u turns "#undef NAME" without trailing blanks into "#define NAME VALUE".
+ac_uA='s,^\([ ]*\)#\([ ]*\)undef\([ ][ ]*\)'
+ac_uB='$,\1#\2define\3'
+ac_uC=' '
+ac_uD=',;t'
+
+for ac_file in : $CONFIG_HEADERS; do test "x$ac_file" = x: && continue
+ # Support "outfile[:infile[:infile...]]", defaulting infile="outfile.in".
+ case $ac_file in
+ - | *:- | *:-:* ) # input from stdin
+ cat >$tmp/stdin
+ ac_file_in=`echo "$ac_file" | sed 's,[^:]*:,,'`
+ ac_file=`echo "$ac_file" | sed 's,:.*,,'` ;;
+ *:* ) ac_file_in=`echo "$ac_file" | sed 's,[^:]*:,,'`
+ ac_file=`echo "$ac_file" | sed 's,:.*,,'` ;;
+ * ) ac_file_in=$ac_file.in ;;
+ esac
+
+ test x"$ac_file" != x- && { echo "$as_me:$LINENO: creating $ac_file" >&5
+echo "$as_me: creating $ac_file" >&6;}
+
+ # First look for the input files in the build tree, otherwise in the
+ # src tree.
+ ac_file_inputs=`IFS=:
+ for f in $ac_file_in; do
+ case $f in
+ -) echo $tmp/stdin ;;
+ [\\/$]*)
+ # Absolute (can't be DOS-style, as IFS=:)
+ test -f "$f" || { { echo "$as_me:$LINENO: error: cannot find input file: $f" >&5
+echo "$as_me: error: cannot find input file: $f" >&2;}
+ { (exit 1); exit 1; }; }
+ echo $f;;
+ *) # Relative
+ if test -f "$f"; then
+ # Build tree
+ echo $f
+ elif test -f "$srcdir/$f"; then
+ # Source tree
+ echo $srcdir/$f
+ else
+ # /dev/null tree
+ { { echo "$as_me:$LINENO: error: cannot find input file: $f" >&5
+echo "$as_me: error: cannot find input file: $f" >&2;}
+ { (exit 1); exit 1; }; }
+ fi;;
+ esac
+ done` || { (exit 1); exit 1; }
+ # Remove the trailing spaces.
+ sed 's/[ ]*$//' $ac_file_inputs >$tmp/in
+
+_ACEOF
+
+# Transform confdefs.h into two sed scripts, `conftest.defines' and
+# `conftest.undefs', that substitutes the proper values into
+# config.h.in to produce config.h. The first handles `#define'
+# templates, and the second `#undef' templates.
+# And first: Protect against being on the right side of a sed subst in
+# config.status. Protect against being in an unquoted here document
+# in config.status.
+rm -f conftest.defines conftest.undefs
+# Using a here document instead of a string reduces the quoting nightmare.
+# Putting comments in sed scripts is not portable.
+#
+# `end' is used to avoid that the second main sed command (meant for
+# 0-ary CPP macros) applies to n-ary macro definitions.
+# See the Autoconf documentation for `clear'.
+cat >confdef2sed.sed <<\_ACEOF
+s/[\\&,]/\\&/g
+s,[\\$`],\\&,g
+t clear
+: clear
+s,^[ ]*#[ ]*define[ ][ ]*\([^ (][^ (]*\)\(([^)]*)\)[ ]*\(.*\)$,${ac_dA}\1${ac_dB}\1\2${ac_dC}\3${ac_dD},gp
+t end
+s,^[ ]*#[ ]*define[ ][ ]*\([^ ][^ ]*\)[ ]*\(.*\)$,${ac_dA}\1${ac_dB}\1${ac_dC}\2${ac_dD},gp
+: end
+_ACEOF
+# If some macros were called several times there might be several times
+# the same #defines, which is useless. Nevertheless, we may not want to
+# sort them, since we want the *last* AC-DEFINE to be honored.
+uniq confdefs.h | sed -n -f confdef2sed.sed >conftest.defines
+sed 's/ac_d/ac_u/g' conftest.defines >conftest.undefs
+rm -f confdef2sed.sed
+
+# This sed command replaces #undef with comments. This is necessary, for
+# example, in the case of _POSIX_SOURCE, which is predefined and required
+# on some systems where configure will not decide to define it.
+cat >>conftest.undefs <<\_ACEOF
+s,^[ ]*#[ ]*undef[ ][ ]*[a-zA-Z_][a-zA-Z_0-9]*,/* & */,
+_ACEOF
+
+# Break up conftest.defines because some shells have a limit on the size
+# of here documents, and old seds have small limits too (100 cmds).
+echo ' # Handle all the #define templates only if necessary.' >>$CONFIG_STATUS
+echo ' if grep "^[ ]*#[ ]*define" $tmp/in >/dev/null; then' >>$CONFIG_STATUS
+echo ' # If there are no defines, we may have an empty if/fi' >>$CONFIG_STATUS
+echo ' :' >>$CONFIG_STATUS
+rm -f conftest.tail
+while grep . conftest.defines >/dev/null
+do
+ # Write a limited-size here document to $tmp/defines.sed.
+ echo ' cat >$tmp/defines.sed <<CEOF' >>$CONFIG_STATUS
+ # Speed up: don't consider the non `#define' lines.
+ echo '/^[ ]*#[ ]*define/!b' >>$CONFIG_STATUS
+ # Work around the forget-to-reset-the-flag bug.
+ echo 't clr' >>$CONFIG_STATUS
+ echo ': clr' >>$CONFIG_STATUS
+ sed ${ac_max_here_lines}q conftest.defines >>$CONFIG_STATUS
+ echo 'CEOF
+ sed -f $tmp/defines.sed $tmp/in >$tmp/out
+ rm -f $tmp/in
+ mv $tmp/out $tmp/in
+' >>$CONFIG_STATUS
+ sed 1,${ac_max_here_lines}d conftest.defines >conftest.tail
+ rm -f conftest.defines
+ mv conftest.tail conftest.defines
+done
+rm -f conftest.defines
+echo ' fi # grep' >>$CONFIG_STATUS
+echo >>$CONFIG_STATUS
+
+# Break up conftest.undefs because some shells have a limit on the size
+# of here documents, and old seds have small limits too (100 cmds).
+echo ' # Handle all the #undef templates' >>$CONFIG_STATUS
+rm -f conftest.tail
+while grep . conftest.undefs >/dev/null
+do
+ # Write a limited-size here document to $tmp/undefs.sed.
+ echo ' cat >$tmp/undefs.sed <<CEOF' >>$CONFIG_STATUS
+ # Speed up: don't consider the non `#undef'
+ echo '/^[ ]*#[ ]*undef/!b' >>$CONFIG_STATUS
+ # Work around the forget-to-reset-the-flag bug.
+ echo 't clr' >>$CONFIG_STATUS
+ echo ': clr' >>$CONFIG_STATUS
+ sed ${ac_max_here_lines}q conftest.undefs >>$CONFIG_STATUS
+ echo 'CEOF
+ sed -f $tmp/undefs.sed $tmp/in >$tmp/out
+ rm -f $tmp/in
+ mv $tmp/out $tmp/in
+' >>$CONFIG_STATUS
+ sed 1,${ac_max_here_lines}d conftest.undefs >conftest.tail
+ rm -f conftest.undefs
+ mv conftest.tail conftest.undefs
+done
+rm -f conftest.undefs
+
+cat >>$CONFIG_STATUS <<\_ACEOF
+ # Let's still pretend it is `configure' which instantiates (i.e., don't
+ # use $as_me), people would be surprised to read:
+ # /* config.h. Generated by config.status. */
+ if test x"$ac_file" = x-; then
+ echo "/* Generated by configure. */" >$tmp/config.h
+ else
+ echo "/* $ac_file. Generated by configure. */" >$tmp/config.h
+ fi
+ cat $tmp/in >>$tmp/config.h
+ rm -f $tmp/in
+ if test x"$ac_file" != x-; then
+ if diff $ac_file $tmp/config.h >/dev/null 2>&1; then
+ { echo "$as_me:$LINENO: $ac_file is unchanged" >&5
+echo "$as_me: $ac_file is unchanged" >&6;}
+ else
+ ac_dir=`(dirname "$ac_file") 2>/dev/null ||
+$as_expr X"$ac_file" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \
+ X"$ac_file" : 'X\(//\)[^/]' \| \
+ X"$ac_file" : 'X\(//\)$' \| \
+ X"$ac_file" : 'X\(/\)' \| \
+ . : '\(.\)' 2>/dev/null ||
+echo X"$ac_file" |
+ sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ s//\1/; q; }
+ /^X\(\/\/\)[^/].*/{ s//\1/; q; }
+ /^X\(\/\/\)$/{ s//\1/; q; }
+ /^X\(\/\).*/{ s//\1/; q; }
+ s/.*/./; q'`
+ { if $as_mkdir_p; then
+ mkdir -p "$ac_dir"
+ else
+ as_dir="$ac_dir"
+ as_dirs=
+ while test ! -d "$as_dir"; do
+ as_dirs="$as_dir $as_dirs"
+ as_dir=`(dirname "$as_dir") 2>/dev/null ||
+$as_expr X"$as_dir" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \
+ X"$as_dir" : 'X\(//\)[^/]' \| \
+ X"$as_dir" : 'X\(//\)$' \| \
+ X"$as_dir" : 'X\(/\)' \| \
+ . : '\(.\)' 2>/dev/null ||
+echo X"$as_dir" |
+ sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ s//\1/; q; }
+ /^X\(\/\/\)[^/].*/{ s//\1/; q; }
+ /^X\(\/\/\)$/{ s//\1/; q; }
+ /^X\(\/\).*/{ s//\1/; q; }
+ s/.*/./; q'`
+ done
+ test ! -n "$as_dirs" || mkdir $as_dirs
+ fi || { { echo "$as_me:$LINENO: error: cannot create directory \"$ac_dir\"" >&5
+echo "$as_me: error: cannot create directory \"$ac_dir\"" >&2;}
+ { (exit 1); exit 1; }; }; }
+
+ rm -f $ac_file
+ mv $tmp/config.h $ac_file
+ fi
+ else
+ cat $tmp/config.h
+ rm -f $tmp/config.h
+ fi
+ # Run the commands associated with the file.
+ case $ac_file in
+ btk/core/config/config.h ) # update the timestamp
+echo 'timestamp for btk/core/config/config.h' >"btk/core/config/stamp-h1"
+ ;;
+ esac
+done
+_ACEOF
+cat >>$CONFIG_STATUS <<\_ACEOF
+
+#
+# CONFIG_COMMANDS section.
+#
+for ac_file in : $CONFIG_COMMANDS; do test "x$ac_file" = x: && continue
+ ac_dest=`echo "$ac_file" | sed 's,:.*,,'`
+ ac_source=`echo "$ac_file" | sed 's,[^:]*:,,'`
+ ac_dir=`(dirname "$ac_dest") 2>/dev/null ||
+$as_expr X"$ac_dest" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \
+ X"$ac_dest" : 'X\(//\)[^/]' \| \
+ X"$ac_dest" : 'X\(//\)$' \| \
+ X"$ac_dest" : 'X\(/\)' \| \
+ . : '\(.\)' 2>/dev/null ||
+echo X"$ac_dest" |
+ sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ s//\1/; q; }
+ /^X\(\/\/\)[^/].*/{ s//\1/; q; }
+ /^X\(\/\/\)$/{ s//\1/; q; }
+ /^X\(\/\).*/{ s//\1/; q; }
+ s/.*/./; q'`
+ ac_builddir=.
+
+if test "$ac_dir" != .; then
+ ac_dir_suffix=/`echo "$ac_dir" | sed 's,^\.[\\/],,'`
+ # A "../" for each directory in $ac_dir_suffix.
+ ac_top_builddir=`echo "$ac_dir_suffix" | sed 's,/[^\\/]*,../,g'`
+else
+ ac_dir_suffix= ac_top_builddir=
+fi
+
+case $srcdir in
+ .) # No --srcdir option. We are building in place.
+ ac_srcdir=.
+ if test -z "$ac_top_builddir"; then
+ ac_top_srcdir=.
+ else
+ ac_top_srcdir=`echo $ac_top_builddir | sed 's,/$,,'`
+ fi ;;
+ [\\/]* | ?:[\\/]* ) # Absolute path.
+ ac_srcdir=$srcdir$ac_dir_suffix;
+ ac_top_srcdir=$srcdir ;;
+ *) # Relative path.
+ ac_srcdir=$ac_top_builddir$srcdir$ac_dir_suffix
+ ac_top_srcdir=$ac_top_builddir$srcdir ;;
+esac
+# Don't blindly perform a `cd "$ac_dir"/$ac_foo && pwd` since $ac_foo can be
+# absolute.
+ac_abs_builddir=`cd "$ac_dir" && cd $ac_builddir && pwd`
+ac_abs_top_builddir=`cd "$ac_dir" && cd ${ac_top_builddir}. && pwd`
+ac_abs_srcdir=`cd "$ac_dir" && cd $ac_srcdir && pwd`
+ac_abs_top_srcdir=`cd "$ac_dir" && cd $ac_top_srcdir && pwd`
+
+
+ { echo "$as_me:$LINENO: executing $ac_dest commands" >&5
+echo "$as_me: executing $ac_dest commands" >&6;}
+ case $ac_dest in
+ btk/core/config/btk_core_config.h ) ac_prefix_conf_OUT=`printf '%s\n' btk/core/config/btk_core_config.h`
+ac_prefix_conf_DEF=`printf '%s\n' _$ac_prefix_conf_OUT | sed -e "y:abcdefghijklmnopqrstuvwxyz:ABCDEFGHIJKLMNOPQRSTUVWXYZ:" -e "s/[^abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ]/_/g"`
+ac_prefix_conf_PKG=`printf '%s\n' $PACKAGE`
+ac_prefix_conf_LOW=`printf '%s\n' _$ac_prefix_conf_PKG | sed -e "y:ABCDEFGHIJKLMNOPQRSTUVWXYZ-:abcdefghijklmnopqrstuvwxyz_:"`
+ac_prefix_conf_UPP=`printf '%s\n' $ac_prefix_conf_PKG | sed -e "y:abcdefghijklmnopqrstuvwxyz-:ABCDEFGHIJKLMNOPQRSTUVWXYZ_:" -e "/^[0123456789]/s/^/_/"`
+ac_prefix_conf_INP=`printf '%s\n' "" | sed -e 's/ *//'`
+if test ".$ac_prefix_conf_INP" = "."; then
+ for ac_file in : $CONFIG_HEADERS; do test "_$ac_file" = _: && continue
+ case "$ac_file" in
+ *.h) ac_prefix_conf_INP=$ac_file ;;
+ *)
+ esac
+ test ".$ac_prefix_conf_INP" != "." && break
+ done
+fi
+if test ".$ac_prefix_conf_INP" = "."; then
+ case "$ac_prefix_conf_OUT" in
+ */*) ac_prefix_conf_INP=`basename "$ac_prefix_conf_OUT"`
+ ;;
+ *-*) ac_prefix_conf_INP=`printf '%s\n' "$ac_prefix_conf_OUT" | sed -e "s/[abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789_]*-//"`
+ ;;
+ *) ac_prefix_conf_INP=config.h
+ ;;
+ esac
+fi
+if test -z "$ac_prefix_conf_PKG" ; then
+ { { echo "$as_me:$LINENO: error: no prefix for _PREFIX_PKG_CONFIG_H" >&5
+echo "$as_me: error: no prefix for _PREFIX_PKG_CONFIG_H" >&2;}
+ { (exit 1); exit 1; }; }
+else
+ if test ! -f "$ac_prefix_conf_INP" ; then if test -f "$srcdir/$ac_prefix_conf_INP" ; then
+ ac_prefix_conf_INP="$srcdir/$ac_prefix_conf_INP"
+ fi fi
+ { echo "$as_me:$LINENO: creating $ac_prefix_conf_OUT - prefix $ac_prefix_conf_UPP for $ac_prefix_conf_INP defines" >&5
+echo "$as_me: creating $ac_prefix_conf_OUT - prefix $ac_prefix_conf_UPP for $ac_prefix_conf_INP defines" >&6;}
+ if test -f $ac_prefix_conf_INP ; then
+ printf '%s\n' "s/#undef *\\([ABCDEFGHIJKLMNOPQRSTUVWXYZ_]\\)/#undef $ac_prefix_conf_UPP""_\\1/" > conftest.prefix
+ printf '%s\n' "s/#undef *\\([abcdefghijklmnopqrstuvwxyz]\\)/#undef $ac_prefix_conf_LOW""_\\1/" >> conftest.prefix
+ printf '%s\n' "s/#define *\\([ABCDEFGHIJKLMNOPQRSTUVWXYZ_][abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789_]*\\)\\(.*\\)/#ifndef $ac_prefix_conf_UPP""_\\1 \\" >> conftest.prefix
+ printf '%s\n' "#define $ac_prefix_conf_UPP""_\\1 \\2 \\" >> conftest.prefix
+ printf '%s\n' "#endif/" >>conftest.prefix
+ printf '%s\n' "s/#define *\\([abcdefghijklmnopqrstuvwxyz][abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789_]*\\)\\(.*\\)/#ifndef $ac_prefix_conf_LOW""_\\1 \\" >> conftest.prefix
+ printf '%s\n' "#define $ac_prefix_conf_LOW""_\\1 \\2 \\" >> conftest.prefix
+ printf '%s\n' "#endif/" >> conftest.prefix
+ # now executing _script on _DEF input to create _OUT output file
+ printf '%s\n' "#ifndef $ac_prefix_conf_DEF" >$tmp/pconfig.h
+ printf '%s\n' "#define $ac_prefix_conf_DEF 1" >>$tmp/pconfig.h
+ printf '%s\n' ' ' >>$tmp/pconfig.h
+ printf '%s\n' /'*' $ac_prefix_conf_OUT. Generated automatically at end of configure. '*'/ >>$tmp/pconfig.h
+
+ sed -f conftest.prefix $ac_prefix_conf_INP >>$tmp/pconfig.h
+ printf '%s\n' ' ' >>$tmp/pconfig.h
+ printf '%s\n' '/* once:' $ac_prefix_conf_DEF '*/' >>$tmp/pconfig.h
+ printf '%s\n' "#endif" >>$tmp/pconfig.h
+ if cmp -s $ac_prefix_conf_OUT $tmp/pconfig.h 2>/dev/null; then
+ { echo "$as_me:$LINENO: $ac_prefix_conf_OUT is unchanged" >&5
+echo "$as_me: $ac_prefix_conf_OUT is unchanged" >&6;}
+ else
+ ac_dir=`(dirname "$ac_prefix_conf_OUT") 2>/dev/null ||
+$as_expr X"$ac_prefix_conf_OUT" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \
+ X"$ac_prefix_conf_OUT" : 'X\(//\)[^/]' \| \
+ X"$ac_prefix_conf_OUT" : 'X\(//\)$' \| \
+ X"$ac_prefix_conf_OUT" : 'X\(/\)' \| \
+ . : '\(.\)' 2>/dev/null ||
+echo X"$ac_prefix_conf_OUT" |
+ sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ s//\1/; q; }
+ /^X\(\/\/\)[^/].*/{ s//\1/; q; }
+ /^X\(\/\/\)$/{ s//\1/; q; }
+ /^X\(\/\).*/{ s//\1/; q; }
+ s/.*/./; q'`
+ { if $as_mkdir_p; then
+ mkdir -p "$ac_dir"
+ else
+ as_dir="$ac_dir"
+ as_dirs=
+ while test ! -d "$as_dir"; do
+ as_dirs="$as_dir $as_dirs"
+ as_dir=`(dirname "$as_dir") 2>/dev/null ||
+$as_expr X"$as_dir" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \
+ X"$as_dir" : 'X\(//\)[^/]' \| \
+ X"$as_dir" : 'X\(//\)$' \| \
+ X"$as_dir" : 'X\(/\)' \| \
+ . : '\(.\)' 2>/dev/null ||
+echo X"$as_dir" |
+ sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ s//\1/; q; }
+ /^X\(\/\/\)[^/].*/{ s//\1/; q; }
+ /^X\(\/\/\)$/{ s//\1/; q; }
+ /^X\(\/\).*/{ s//\1/; q; }
+ s/.*/./; q'`
+ done
+ test ! -n "$as_dirs" || mkdir $as_dirs
+ fi || { { echo "$as_me:$LINENO: error: cannot create directory \"$ac_dir\"" >&5
+echo "$as_me: error: cannot create directory \"$ac_dir\"" >&2;}
+ { (exit 1); exit 1; }; }; }
+
+ rm -f "$ac_prefix_conf_OUT"
+ mv $tmp/pconfig.h "$ac_prefix_conf_OUT"
+ fi
+ cp conftest.prefix _configs.sed
+ else
+ { { echo "$as_me:$LINENO: error: input file $ac_prefix_conf_INP does not exist - skip generating $ac_prefix_conf_OUT" >&5
+echo "$as_me: error: input file $ac_prefix_conf_INP does not exist - skip generating $ac_prefix_conf_OUT" >&2;}
+ { (exit 1); exit 1; }; }
+ fi
+ rm -f conftest.*
+fi
+ ;;
+ depfiles ) test x"$AMDEP_TRUE" != x"" || for mf in $CONFIG_FILES; do
+ # Strip MF so we end up with the name of the file.
+ mf=`echo "$mf" | sed -e 's/:.*$//'`
+ # Check whether this is an Automake generated Makefile or not.
+ # We used to match only the files named `Makefile.in', but
+ # some people rename them; so instead we look at the file content.
+ # Grep'ing the first line is not enough: some people post-process
+ # each Makefile.in and add a new line on top of each file to say so.
+ # So let's grep whole file.
+ if grep '^#.*generated by automake' $mf > /dev/null 2>&1; then
+ dirpart=`(dirname "$mf") 2>/dev/null ||
+$as_expr X"$mf" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \
+ X"$mf" : 'X\(//\)[^/]' \| \
+ X"$mf" : 'X\(//\)$' \| \
+ X"$mf" : 'X\(/\)' \| \
+ . : '\(.\)' 2>/dev/null ||
+echo X"$mf" |
+ sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ s//\1/; q; }
+ /^X\(\/\/\)[^/].*/{ s//\1/; q; }
+ /^X\(\/\/\)$/{ s//\1/; q; }
+ /^X\(\/\).*/{ s//\1/; q; }
+ s/.*/./; q'`
+ else
+ continue
+ fi
+ grep '^DEP_FILES *= *[^ #]' < "$mf" > /dev/null || continue
+ # Extract the definition of DEP_FILES from the Makefile without
+ # running `make'.
+ DEPDIR=`sed -n -e '/^DEPDIR = / s///p' < "$mf"`
+ test -z "$DEPDIR" && continue
+ # When using ansi2knr, U may be empty or an underscore; expand it
+ U=`sed -n -e '/^U = / s///p' < "$mf"`
+ test -d "$dirpart/$DEPDIR" || mkdir "$dirpart/$DEPDIR"
+ # We invoke sed twice because it is the simplest approach to
+ # changing $(DEPDIR) to its actual value in the expansion.
+ for file in `sed -n -e '
+ /^DEP_FILES = .*\\\\$/ {
+ s/^DEP_FILES = //
+ :loop
+ s/\\\\$//
+ p
+ n
+ /\\\\$/ b loop
+ p
+ }
+ /^DEP_FILES = / s/^DEP_FILES = //p' < "$mf" | \
+ sed -e 's/\$(DEPDIR)/'"$DEPDIR"'/g' -e 's/\$U/'"$U"'/g'`; do
+ # Make sure the directory exists.
+ test -f "$dirpart/$file" && continue
+ fdir=`(dirname "$file") 2>/dev/null ||
+$as_expr X"$file" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \
+ X"$file" : 'X\(//\)[^/]' \| \
+ X"$file" : 'X\(//\)$' \| \
+ X"$file" : 'X\(/\)' \| \
+ . : '\(.\)' 2>/dev/null ||
+echo X"$file" |
+ sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ s//\1/; q; }
+ /^X\(\/\/\)[^/].*/{ s//\1/; q; }
+ /^X\(\/\/\)$/{ s//\1/; q; }
+ /^X\(\/\).*/{ s//\1/; q; }
+ s/.*/./; q'`
+ { if $as_mkdir_p; then
+ mkdir -p $dirpart/$fdir
+ else
+ as_dir=$dirpart/$fdir
+ as_dirs=
+ while test ! -d "$as_dir"; do
+ as_dirs="$as_dir $as_dirs"
+ as_dir=`(dirname "$as_dir") 2>/dev/null ||
+$as_expr X"$as_dir" : 'X\(.*[^/]\)//*[^/][^/]*/*$' \| \
+ X"$as_dir" : 'X\(//\)[^/]' \| \
+ X"$as_dir" : 'X\(//\)$' \| \
+ X"$as_dir" : 'X\(/\)' \| \
+ . : '\(.\)' 2>/dev/null ||
+echo X"$as_dir" |
+ sed '/^X\(.*[^/]\)\/\/*[^/][^/]*\/*$/{ s//\1/; q; }
+ /^X\(\/\/\)[^/].*/{ s//\1/; q; }
+ /^X\(\/\/\)$/{ s//\1/; q; }
+ /^X\(\/\).*/{ s//\1/; q; }
+ s/.*/./; q'`
+ done
+ test ! -n "$as_dirs" || mkdir $as_dirs
+ fi || { { echo "$as_me:$LINENO: error: cannot create directory $dirpart/$fdir" >&5
+echo "$as_me: error: cannot create directory $dirpart/$fdir" >&2;}
+ { (exit 1); exit 1; }; }; }
+
+ # echo "creating $dirpart/$file"
+ echo '# dummy' > "$dirpart/$file"
+ done
+done
+ ;;
+ esac
+done
+_ACEOF
+
+cat >>$CONFIG_STATUS <<\_ACEOF
+
+{ (exit 0); exit 0; }
+_ACEOF
+chmod +x $CONFIG_STATUS
+ac_clean_files=$ac_clean_files_save
+
+
+# configure is writing to config.log, and then calls config.status.
+# config.status does its own redirection, appending to config.log.
+# Unfortunately, on DOS this fails, as config.log is still kept open
+# by configure, so config.status won't be able to write to it; its
+# output is simply discarded. So we exec the FD to /dev/null,
+# effectively closing config.log, so it can be properly (re)opened and
+# appended to by config.status. When coming back to configure, we
+# need to make the FD available again.
+if test "$no_create" != yes; then
+ ac_cs_success=:
+ ac_config_status_args=
+ test "$silent" = yes &&
+ ac_config_status_args="$ac_config_status_args --quiet"
+ exec 5>/dev/null
+ $SHELL $CONFIG_STATUS $ac_config_status_args || ac_cs_success=false
+ exec 5>>config.log
+ # Use ||, not &&, to avoid exiting from the if with $? = 1, which
+ # would make configure fail if this is the last instruction.
+ $ac_cs_success || { (exit 1); exit 1; }
+fi
+
diff --git a/configure.ac b/configure.ac
new file mode 100644
index 0000000..89cc3f5
--- /dev/null
+++ b/configure.ac
@@ -0,0 +1,50 @@
+# Process this file with autoconf to produce a configure script.
+AC_INIT([btk_core], [0.8.1], [btk-bugs at lists.sf.net])
+AC_CONFIG_AUX_DIR([btk/core/config])
+AM_INIT_AUTOMAKE
+AC_CONFIG_SRCDIR([btk/core/atoms/atom.hpp])
+AM_CONFIG_HEADER([btk/core/config/config.h])
+
+AX_PREFIX_CONFIG_H([btk/core/config/btk_core_config.h])
+
+AC_DEFINE_UNQUOTED(MAJOR_VERSION,
+ [`expr $VERSION : '\([[0-9]]*\)\.'`],
+ [The btk_core major version number])
+
+AC_DEFINE_UNQUOTED(MINOR_VERSION,
+ [`expr $VERSION : '[[0-9]]*\.\([[0-9]]*\)'`],
+ [The btk_core minor version number])
+
+
+# Checks for programs.
+AC_PROG_CXX
+AC_PROG_CC
+AC_PROG_RANLIB
+AC_PROG_LN_S
+#AC_PROG_LIBTOOL
+
+# Compiler flag tweaks
+#SET_GCC_ABI_VERSION([0])
+TRY_CXXFLAG(-Wno-long-double)
+TRY_CXXFLAG(-Wall)
+
+# Checks for libraries.
+AC_PATH_BOOST([1.31.0],[CPPFLAGS="$CPPFLAGS -I$BOOST_PATH"],[AC_MSG_ERROR(
+[boost version 1.31 or later is required to build the btk!!
+If boost is installed, specify the location of your installation
+using the --with-boost flag to configure, or the BOOST_ROOT
+environment variable. If boost is not installed, please download
+it from http://www.boost.org.])])
+
+# Checks for header files.
+AC_HEADER_STDC
+AC_CHECK_HEADERS([stdlib.h string.h])
+
+# Checks for typedefs, structures, and compiler characteristics.
+AC_C_CONST
+AC_C_INLINE
+
+# Write makefiles/config files.
+AC_CONFIG_FILES([Makefile tests/Makefile examples/Makefile btk/Makefile \
+ btk/core/Makefile])
+AC_OUTPUT
diff --git a/debian/changelog b/debian/changelog
deleted file mode 100644
index 87760c4..0000000
--- a/debian/changelog
+++ /dev/null
@@ -1,24 +0,0 @@
-btk-core (0.8.1-1) UNRELEASED; urgency=low
-
- [ Morten Kjeldgaard ]
- * Modified for upload to Debian (Closes #459753)
- * Use standards versions 3.7.3
-
- [ Andreas Tille ]
- * Maintainer: Debian-Med Packaging Team
- Uploaders: Morten Kjeldgaard <mok at bioxray.dk>
- * XS-DM-Upload-Allowed: Yes
- * Vcs-Browser, Vcs-Svn
-
- -- Morten Kjeldgaard <mok at bioxray.dk> Tue, 08 Jan 2008 15:22:01 +0100
-
-btk-core (0.8.1-0ubuntu1) gutsy; urgency=low
-
- * Initial release.
- * Authored man pages rmsd.1 and transform_structure.1; these
- can be found along with the code examples.
- * Patched automake files to install in $(DESTDIR) and to disable
- install-hooks that would delete files in /usr. Therefore,
- rules needs to call aclocal & friends.
-
- -- Morten Kjeldgaard <mok at bioxray.dk> Fri, 17 Aug 2007 14:17:43 +0200
diff --git a/debian/compat b/debian/compat
deleted file mode 100644
index f599e28..0000000
--- a/debian/compat
+++ /dev/null
@@ -1 +0,0 @@
-10
diff --git a/debian/control b/debian/control
deleted file mode 100644
index 9c79a8c..0000000
--- a/debian/control
+++ /dev/null
@@ -1,24 +0,0 @@
-Source: btk-core
-Maintainer: Debian Med Packaging Team <debian-med-packaging at lists.alioth.debian.org>
-Uploaders: Morten Kjeldgaard <mok at bioxray.dk>
-Section: science
-Priority: optional
-Build-Depends: debhelper (>= 10),
- automake,
- libboost-dev
-Standards-Version: 3.9.8
-Vcs-Browser: https://anonscm.debian.org/viewvc/debian-med/trunk/packages/btk-core/trunk/
-Vcs-Svn: svn://anonscm.debian.org/debian-med/trunk/packages/btk-core/trunk/
-Homepage: http://btk.sourceforge.net/
-
-Package: libbtk-core-dev
-Architecture: any
-Depends: libboost-dev
-Description: Biomolecule Toolkit C++ library
- The Biomolecule Toolkit is a library for modeling biological
- macromolecules such as proteins, DNA and RNA. It provides a C++ interface
- for common tasks in structural biology to facilitate the development of
- molecular modeling, design and analysis tools.
- .
- This package contains header files and libraries necessary to develop
- programs using the Biomolecular Toolkit.
diff --git a/debian/copyright b/debian/copyright
deleted file mode 100644
index 339a8b6..0000000
--- a/debian/copyright
+++ /dev/null
@@ -1,29 +0,0 @@
-Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/
-Upstream-Contact: Tim Robertson <kid50 at users.sourceforge.net>,
- Chris Saunders <ctsa at users.sourceforge.net>
-Source: http://sourceforge.net/projects/btk/
-
-Files: btk/*, examples/*, tests/*
-Copyright: 2006 Tim Robertson, Chris Saunders, Alex Morozov, Eric Alm
- & Jeff Gray
-License: LGPL-2.1+
- This package is free software; you can redistribute it and/or
- modify it under the terms of the GNU Lesser General Public
- License as published by the Free Software Foundation; either
- version 2.1 of the License, or (at your option) any later version.
- .
- This package is distributed in the hope that it will be useful,
- but WITHOUT ANY WARRANTY; without even the implied warranty of
- MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
- Lesser General Public License for more details.
- .
- You should have received a copy of the GNU Lesser General Public
- License along with this package; if not, write to the Free Software
- Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
-
-Files: debian/*
-Copyright: (C) 2007, Morten Kjeldgaard <mok at bioxray.dk>
-License: LGPL-2.1+
-
-X-Comment: On Debian systems, the complete text of the GNU Lesser General
- Public License can be found in `/usr/share/common-licenses/LGPL-2.1'.
diff --git a/debian/docs b/debian/docs
deleted file mode 100644
index 2e33b51..0000000
--- a/debian/docs
+++ /dev/null
@@ -1,3 +0,0 @@
-NEWS
-README
-HACKING
diff --git a/debian/libbtk-core-dev.examples b/debian/libbtk-core-dev.examples
deleted file mode 100644
index 2131d39..0000000
--- a/debian/libbtk-core-dev.examples
+++ /dev/null
@@ -1,3 +0,0 @@
-examples/*.cpp
-debian/rmsd.1
-debian/transform_structure.1
diff --git a/debian/libbtk-core-dev.install b/debian/libbtk-core-dev.install
deleted file mode 100644
index 451eacc..0000000
--- a/debian/libbtk-core-dev.install
+++ /dev/null
@@ -1,2 +0,0 @@
-usr/include/btk
-usr/lib
diff --git a/debian/patches/00list b/debian/patches/00list
deleted file mode 100644
index a4ab5ee..0000000
--- a/debian/patches/00list
+++ /dev/null
@@ -1,2 +0,0 @@
-100-Makefile.am.dpatch
-100-btk_core_Makefile.am.dpatch
diff --git a/debian/patches/100-Makefile.am.dpatch b/debian/patches/100-Makefile.am.dpatch
deleted file mode 100644
index 30782f6..0000000
--- a/debian/patches/100-Makefile.am.dpatch
+++ /dev/null
@@ -1,16 +0,0 @@
-Author: Morten Kjeldgaard <mok at bioxray.dk>
-Description: Remove the uninstall-hook in top level Makefile.am
-
-diff -urNad btk-core-0.8~/Makefile.am btk-core-0.8/Makefile.am
---- btk-core-0.8~/Makefile.am 2007-06-21 18:49:04.000000000 +0000
-+++ btk-core-0.8/Makefile.am 2007-06-21 18:49:42.000000000 +0000
-@@ -1,7 +1,4 @@
- EXTRA_DIST = ChangeLog AUTHORS COPYING HACKING INSTALL NEWS README
-
- SUBDIRS = btk tests examples
--
--uninstall-hook:
-- (cd $(libdir) && if [ ! `ls -A btk` ] ; then rmdir btk; fi)
-- (cd $(includedir) && if [ ! `ls -A btk` ] ; then rmdir btk; fi)
-\ No newline at end of file
-+ACLOCAL_AMFLAGS = -I btk/core/config
diff --git a/debian/patches/100-btk_core_Makefile.am.dpatch b/debian/patches/100-btk_core_Makefile.am.dpatch
deleted file mode 100644
index dc284e6..0000000
--- a/debian/patches/100-btk_core_Makefile.am.dpatch
+++ /dev/null
@@ -1,31 +0,0 @@
-Author: Morten Kjeldgaard <mok at bioxray.dk>
-Description: Use $DESTDIR in this Makefile.am
-
---- foo/btk/core/Makefile.am 2006-10-27 02:37:24.000000000 +0000
-+++ foo/btk/core/Makefile.am.new 2007-06-10 16:51:49.000000000 +0000
-@@ -85,16 +85,17 @@
- math/vector_math.cpp \
- algorithms/rmsd.cpp
-
-+
- install-exec-hook:
-- if [ -e $(pkglibdir)/libbtk_core.a ]; \
-- then rm -f $(pkglibdir)/libbtk_core.a; fi
-- cd $(pkglibdir) && @LN_S@ libbtk_core_ at VERSION@.a libbtk_core.a
-+ if [ -e $(DESTDIR)/$(pkglibdir)/libbtk_core.a ]; \
-+ then rm -f $(DESTDIR)/$(pkglibdir)/libbtk_core.a; fi
-+ cd $(DESTDIR)/$(pkglibdir) && @LN_S@ libbtk_core_ at VERSION@.a libbtk_core.a
-
- install-data-hook:
-- if [ -e $(includedir)/btk/core ]; \
-- then rm -f $(includedir)/btk/core; fi
-- cd $(includedir)/btk && @LN_S@ @PACKAGE at _@VERSION@ core
-+ if [ -e $(DESTDIR)/$(includedir)/btk/core ]; \
-+ then rm -f $(DESTDIR)/$(includedir)/btk/core; fi
-+ cd $(DESTDIR)/$(includedir)/btk && @LN_S@ @PACKAGE at _@VERSION@ core
-
- uninstall-hook:
-- cd $(pkglibdir) && rm -f libbtk_core.a
-- cd $(includedir)/btk && rm -fr core @PACKAGE at _@VERSION@
-+ cd $(DESTDIR)/$(pkglibdir) && rm -f libbtk_core.a
-+ cd $(DESTDIR)/$(includedir)/btk && rm -fr core @PACKAGE at _@VERSION@
diff --git a/debian/rmsd.1 b/debian/rmsd.1
deleted file mode 100644
index 3c45562..0000000
--- a/debian/rmsd.1
+++ /dev/null
@@ -1,53 +0,0 @@
-.\" Hey, EMACS: -*- mode: nroff; mode: font-lock -*-
-.TH RMSD 1 "June 2007" "User Commands"
-.SH NAME
-rmsd \- calculate optimal superposition of two PDB structures
-.SH DESCRIPTION
-usage: \fBrmsd\fR \fB\-pdb1\fR pdb_file1 \fB\-pdb2\fR pdb_file2 [options]
-.PP
-Calculates the optimal superposition of the structure in \fIpdb_file2\fR to
-the structure in \fIpdb_file1\fR. Reports the root mean square deviation
-between corresponding atoms in the two structures. By default, all
-non\-heterogen atoms in the structures are aligned.
-.SH OPTIONS
-.SS Selection options
-.TP
-\fB\-pdb1_chain\fR \fI<chain id>\fR
-specify a chain to use in pdb_file1
-.TP
-\fB\-pdb2_chain\fR \fI<chain id>\fR
-specify a chain to use in pdb_file2
-.TP
-\fB\-bb\fR
-select protein backbone atoms
-.TP
-\fB\-calpha\fR
-select C\-alpha atoms
-.TP
-\fB\-start\fR \fI<N>\fR
-select atoms with residue number higher than N.
-.TP
-\fB\-stop\fR \fI<N>\fR
- select atoms with residue number lower than N.
-.TP
-\fB\-hetatoms\fR
-include hetatoms in alignment (default: exclude hetatoms)
-.PP
-The union of multiple selection options is used.
-.SS Output options:
-.TP
-\fB\-pdb2_out\fR \fI<file>\fR
-output a copy of pdb2, in its optimal superposition to pdb1
-.TP
-\fB\-pdb2_trans_out\fR \fI<file>\fR
-write to file the rotation R and translation T that superimpose
-the selected atoms of pdb2 to those of pdb1
-
-.SH "SEE ALSO"
-.B transform_structure
-(1)
-.SH AUTHORS
-\fBrmsd\fR was written by the BTK project (http://projects.sf.net/btk)
-.PP
-This manual page was written for the Ubuntu project by Morten Kjeldgaard
-<mok at bioxray.dk>
diff --git a/debian/rules b/debian/rules
deleted file mode 100755
index d15a97e..0000000
--- a/debian/rules
+++ /dev/null
@@ -1,94 +0,0 @@
-#!/usr/bin/make -f
-
-# Uncomment this to turn on verbose mode.
-#export DH_VERBOSE=1
-
-# This has to be exported to make some magic below work.
-export DH_OPTIONS
-
-# These are used for cross-compiling and for saving the configure script
-# from having to guess our platform (since we know it already)
-DEB_HOST_GNU_TYPE ?= $(shell dpkg-architecture -qDEB_HOST_GNU_TYPE)
-DEB_BUILD_GNU_TYPE ?= $(shell dpkg-architecture -qDEB_BUILD_GNU_TYPE)
-
-CFLAGS = -Wall -g
-
-ifneq (,$(findstring noopt,$(DEB_BUILD_OPTIONS)))
- CFLAGS += -O0
-else
- CFLAGS += -O2
-endif
-
-config.status: patch-stamp configure
- dh_testdir
-
- ./configure --host=$(DEB_HOST_GNU_TYPE) --build=$(DEB_BUILD_GNU_TYPE) --prefix=/usr --mandir=\$${prefix}/share/man --infodir=\$${prefix}/share/info --with-boost=/usr/include/boost CFLAGS="$(CFLAGS)" LDFLAGS="-Wl,-z,defs"
-
-configure: configure.ac
- dh_testdir
- aclocal -I btk/core/config
- automake
- autoconf
-
-#Architecture
-build: build-arch
-
-build-arch: build-arch-stamp
-build-arch-stamp: config.status
-
- # Compile the arch part of the package
- $(MAKE)
- touch $@
-
-clean: unpatch
- dh_testdir
- dh_testroot
-
- # Clean up after the build process...
-
- [ ! -f Makefile ] || $(MAKE) distclean
- rm -rf autom4te.cache
- rm -f aclocal.m4 configure _configs.sed
- rm -f Makefile.in btk/Makefile.in btk/core/Makefile.in
- rm -f examples/Makefile.in
- rm -f tests/Makefile.in tests/output_test.pdb
- rm -f btk/core/config/btk_core_config.h
- rm -f config.sub config.guess
-
- dh_clean
-
-install:
- dh_testdir
- dh_testroot
- dh_clean -k -s
- dh_installdirs -s
-
- # Install the arch part of the package into debian/tmp
- $(MAKE) DESTDIR=$(CURDIR)/debian/tmp install
-
- dh_install --sourcedir=debian/tmp
-
-binary-common:
- dh_testdir
- dh_testroot
- dh_installchangelogs
- dh_installdocs
- dh_installexamples
- dh_installman
- dh_link
- dh_strip
- dh_compress
- dh_fixperms
- dh_makeshlibs
- dh_installdeb
- dh_shlibdeps
- dh_gencontrol
- dh_md5sums
- dh_builddeb
-
-# Build architecture dependant packages using the common target.
-binary-arch: build-arch install
- $(MAKE) -f debian/rules DH_OPTIONS=-s binary-common
-
-binary: binary-arch
-.PHONY: build clean binary-arch binary install install-arch
diff --git a/debian/transform_structure.1 b/debian/transform_structure.1
deleted file mode 100644
index 03cb81a..0000000
--- a/debian/transform_structure.1
+++ /dev/null
@@ -1,22 +0,0 @@
-.TH TRANSFORM_STRUCTURE_FILE "1" "June 2007" "User Commands"
-.SH NAME
-transform_structure \- apply a transformation to a structure
-.SH DESCRIPTION
-.B transform_structure
-.I transform_file
-\fIpdb_file\fR
-.BI [ chain_id
-.BI [ chain_id
-.B ]]
-.PP
-Maps structure coordinates x to x' = Ux+T for the rotation U and
-translation T specified in \fItransform_file\fR.
-.SH "SEE ALSO"
-.B rmsd
-(1)
-.SH AUTHORS
-\fBtransform_structure_file\fR was written by the BTK project
-(http://projects.sf.net/btk)
-.PP
-This manual page was written for the Ubuntu project by Morten Kjeldgaard
-<mok at bioxray.dk>
diff --git a/debian/watch b/debian/watch
deleted file mode 100644
index 85e4705..0000000
--- a/debian/watch
+++ /dev/null
@@ -1,3 +0,0 @@
-version=4
-
-http://sf.net/btk/btk_core-(.*)\.tar\.gz
diff --git a/examples/Makefile.am b/examples/Makefile.am
new file mode 100644
index 0000000..5b22939
--- /dev/null
+++ b/examples/Makefile.am
@@ -0,0 +1,9 @@
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+
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+
+contact_order_SOURCES = contact_order.cpp
+rmsd_SOURCES = rmsd.cpp
+transform_structure_SOURCES = transform_structure.cpp
+gyration_radius_SOURCES = gyration_radius.cpp
diff --git a/examples/Makefile.in b/examples/Makefile.in
new file mode 100644
index 0000000..f5c1c97
--- /dev/null
+++ b/examples/Makefile.in
@@ -0,0 +1,358 @@
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+# @configure_input@
+
+# Copyright 1994, 1995, 1996, 1997, 1998, 1999, 2000, 2001, 2002
+# Free Software Foundation, Inc.
+# This Makefile.in is free software; the Free Software Foundation
+# gives unlimited permission to copy and/or distribute it,
+# with or without modifications, as long as this notice is preserved.
+
+# This program is distributed in the hope that it will be useful,
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+
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diff --git a/examples/contact_order.cpp b/examples/contact_order.cpp
new file mode 100644
index 0000000..f6506e2
--- /dev/null
+++ b/examples/contact_order.cpp
@@ -0,0 +1,87 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2001-2006, Eric Alm <ealm3141 at users.sourceforge.net>,
+// Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+// contact_order.c
+
+#include <iostream>
+#include <cmath>
+#include <cstdlib>
+
+#include <btk/core/math/linear_algebra.hpp>
+#include <btk/core/atoms/pdb_atom.hpp>
+#include <btk/core/molecules/monomer.hpp>
+#include <btk/core/molecules/polymer.hpp>
+#include <btk/core/io/pdb_system.hpp>
+
+typedef BTK::ATOMS::PDBAtom atom;
+typedef BTK::MOLECULES::Monomer<atom> monomer;
+typedef BTK::MOLECULES::Polymer<monomer> polymer;
+typedef BTK::IO::PDBSystem<polymer> pdb_system;
+
+using std::cout;
+using std::endl;
+using BTK::MATH::within_sqr_dist;
+
+int main(int argc, char * argv[])
+{
+ double cutoff = 6.0;
+ std::string filename;
+
+ if (argc == 2) {
+ filename = argv[1];
+ } else if (argc == 3) {
+ filename = argv[1];
+ cutoff = std::atof(argv[2]);
+ } else {
+ std::cerr << "usage: " << argv[0]
+ << " <pdb filename> [distance cutoff (default = 6.0)]"
+ << std::endl;
+ return -1;
+ }
+
+ pdb_system pdb(filename);
+
+ pdb_system::atom_iterator ai, aj;
+ int counts = 0;
+ double order = 0;
+ double cutoff_sqrd = cutoff*cutoff;
+
+ for (ai = pdb.structure_begin(); ai != pdb.structure_end(); ++ai) {
+ for (aj = pdb.structure_begin(); aj != pdb.structure_end(); ++aj) {
+ if (ai->res_number() == aj->res_number()) continue;
+
+ if (within_sqr_dist(ai->position(),aj->position(),cutoff_sqrd)) {
+ order += std::abs(ai->res_number() - aj->res_number());
+ ++counts;
+ }
+ }
+ }
+
+ double contact_order = order/counts;
+
+ cout << "Contact Order: " << contact_order << endl;
+ cout << "Relative Contact Order: " << contact_order/pdb.num_monomers() << endl;
+
+ return 0;
+}
+
+
+
diff --git a/examples/gyration_radius.cpp b/examples/gyration_radius.cpp
new file mode 100644
index 0000000..1a90154
--- /dev/null
+++ b/examples/gyration_radius.cpp
@@ -0,0 +1,74 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <iostream>
+#include <string>
+#include <cmath>
+
+#include <btk/core/math/vector_math.hpp>
+#include <btk/core/atoms/pdb_atom.hpp>
+#include <btk/core/molecules/monomer.hpp>
+#include <btk/core/molecules/polymer.hpp>
+#include <btk/core/io/pdb_system.hpp>
+#include <btk/core/algorithms/properties.hpp>
+
+typedef BTK::ATOMS::PDBAtom atom;
+typedef BTK::MOLECULES::Monomer<atom> monomer;
+typedef BTK::MOLECULES::Polymer<monomer> polymer;
+typedef BTK::IO::PDBSystem<polymer> pdb_system;
+
+int main(int argc, char * argv[])
+{
+ std::string filename;
+
+ if (argc == 2) {
+ filename = argv[1];
+ } else {
+ std::cerr << "usage: " << argv[0]
+ << " <pdb filename>"
+ << std::endl;
+ return -1;
+ }
+
+ // load the PDB file
+ pdb_system pdb(filename);
+
+ // calculate the geometric center of all atoms in the PDB file
+ BTK::MATH::BTKVector gc =
+ BTK::ALGORITHMS::geometric_center(pdb.structure_begin(),
+ pdb.structure_end());
+
+ // iterate through every atom in the PDB file, and calculate its
+ // distance from the geometric center of the molecule
+ pdb_system::atom_iterator ai;
+ double sum_rg_squared = 0.0;
+ unsigned N = 0;
+
+ for (ai = pdb.structure_begin(); ai != pdb.structure_end(); ++ai) {
+ double r = BTK::MATH::length(ai->position() - gc); // r == distance
+ sum_rg_squared += r * r; // keep a running sum of the distance squared
+ ++N; // count the number of atoms
+ }
+
+ std::cout << "radius of gyration: "
+ << std::sqrt(sum_rg_squared / N) << std::endl;
+
+ return 0;
+}
diff --git a/examples/rmsd.cpp b/examples/rmsd.cpp
new file mode 100644
index 0000000..27b6d63
--- /dev/null
+++ b/examples/rmsd.cpp
@@ -0,0 +1,306 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2001-2006, Christopher Saunders <ctsa at users.sourceforge.net>,
+// Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <cstddef>
+#include <fstream>
+#include <functional>
+#include <iostream>
+#include <string>
+
+#include "boost/bind.hpp"
+#include "boost/iterator/filter_iterator.hpp"
+#include "boost/lexical_cast.hpp"
+
+#include <btk/core/atoms/pdb_atom.hpp>
+#include <btk/core/molecules/monomer.hpp>
+#include <btk/core/molecules/polymer.hpp>
+#include <btk/core/io/pdb_system.hpp>
+#include <btk/core/molecules/polymer.hpp>
+#include <btk/core/algorithms/selections.hpp>
+#include <btk/core/algorithms/transforms.hpp>
+#include <btk/core/algorithms/predicates.hpp>
+#include <btk/core/algorithms/rmsd.hpp>
+
+using namespace std;
+
+using BTK::ALGORITHMS::select;
+using BTK::ALGORITHMS::select_if;
+using BTK::ALGORITHMS::is_selected;
+using BTK::ALGORITHMS::is_named;
+using BTK::ALGORITHMS::get_rmsd;
+using BTK::ALGORITHMS::leastsquares_superposition;
+using BTK::ALGORITHMS::transform;
+
+using boost::make_filter_iterator;
+
+typedef BTK::ATOMS::PDBAtom atom;
+typedef BTK::MOLECULES::Monomer<atom> monomer;
+typedef BTK::MOLECULES::Polymer<monomer> polymer;
+typedef BTK::IO::PDBSystem<polymer> pdb_system;
+
+void
+usage_error(const char* progname)
+{
+ cerr << "usage: " << progname << " -pdb1 pdb_file1 -pdb2 pdb_file2 [options]\n"
+ << "\n"
+ << "Calculates the optimal superposition of the structure in pdb2 to the structure\n"
+ << "in pdb1. Reports the root mean square deviation between corresponding atoms\n"
+ << "in the two structures. By default, all non-heterogen atoms in the structures\n"
+ << "are aligned, unless a selection is specified.\n"
+ << "\n"
+ << "\n"
+ << " Selection options:\n"
+ << " -pdb1_chain <chain id> - specify a chain to use in pdb_file1\n"
+ << " -pdb2_chain <chain id> - specify a chain to use in pdb_file2\n"
+ << " -bb - select protein backbone atoms\n"
+ << " -calpha - select C-alpha atoms\n"
+ << " -start <N> - select atoms with residue number higher than N.\n"
+ << " -stop <N> - select atoms with residue number lower than N.\n"
+ << " -hetatoms - include hetatoms in alignment (default: exclude hetatoms)\n"
+ << "\n"
+ << " (the intersection of multiple selection options is used.)\n"
+ << "\n"
+ << " Output options:\n"
+ << " -pdb2_out <file> - output a copy of pdb2, in its optimal superposition to pdb1\n"
+ << " -pdb2_trans_out <file> - write to file the rotation R and translation T that superimpose\n"
+ << " the selected atoms of pdb2 to those of pdb1\n"
+ << endl
+ << endl;
+
+ exit(EXIT_FAILURE);
+}
+
+struct is_protein_bb
+{
+ bool operator()(atom const & a) const {
+ if (a.name() == "N" || a.name() == "CA" ||
+ a.name() == "C" || a.name() == "O") return true;
+ return false;
+ }
+};
+
+struct res_number_gt
+{
+ res_number_gt(int num) : _num(num) {}
+
+ bool operator()(atom const & a) const {
+ return (a.res_number() > _num);
+ }
+
+ int _num;
+};
+
+struct res_number_lt
+{
+ res_number_lt(int num) : _num(num) {}
+
+ bool operator()(atom const & a) const {
+ return (a.res_number() < _num);
+ }
+
+ int _num;
+};
+
+template <typename Container,
+ typename UnaryPredicate>
+void
+inverse_selection(Container & c1,
+ Container & c2,
+ UnaryPredicate f)
+{
+ // do the inverse of a normal selection with the given predicate.
+ // in other words, if f is false, set the selection to false.
+
+ select_if(c1.structure_begin(),c1.structure_end(),
+ boost::bind<bool>(logical_not<bool>(),
+ boost::bind<bool>(f,_1)),
+ false);
+
+ select_if(c2.structure_begin(),c2.structure_end(),
+ boost::bind<bool>(logical_not<bool>(),
+ boost::bind<bool>(f,_1)),
+ false);
+}
+
+int main(int argc, char *argv[]) {
+
+ string file1,file2;
+ string pdb2_outfile,pdb2_trans_outfile;
+
+ string chain1_list;
+ string chain2_list;
+
+ bool load_hetatoms = false;
+ bool is_bb_filter = false;
+ bool is_calpha_filter = false;
+ bool is_start_filter = false;
+ bool is_stop_filter = false;
+
+ bool write_super_pdb = false;
+ bool write_super_pdb_trans = false;
+
+ int start_group = 0,stop_group = 0;
+
+ for (int i=1;i<argc;++i) {
+ string argstr(argv[i]);
+ if (argstr=="-pdb1") {
+ if(++i>=argc) usage_error(argv[0]);
+ file1 = argv[i];
+
+ } else if(argstr=="-pdb2"){
+ if(++i>=argc) usage_error(argv[0]);
+ file2 = argv[i];
+
+ } else if (argstr=="-pdb1_chain") {
+ if(++i>=argc) usage_error(argv[0]);
+ chain1_list.push_back(argv[i][0]);
+
+ } else if (argstr=="-pdb2_chain") {
+ if(++i>=argc) usage_error(argv[0]);
+ chain2_list.push_back(argv[i][0]);
+
+ } else if (argstr=="-bb") {
+ is_bb_filter = true;
+
+ } else if (argstr=="-calpha") {
+ is_calpha_filter = true;
+
+ } else if (argstr=="-start") {
+ if(++i>=argc) usage_error(argv[0]);
+ start_group = boost::lexical_cast<int>(argv[i]);
+ is_start_filter = true;
+
+ } else if (argstr=="-stop") {
+ if(++i>=argc) usage_error(argv[0]);
+ stop_group = boost::lexical_cast<int>(argv[i]);
+ is_stop_filter = true;
+
+ } else if (argstr=="-pdb2_out") {
+ if(++i>=argc) usage_error(argv[0]);
+ write_super_pdb = true;
+ pdb2_outfile = argv[i];
+
+ } else if (argstr=="-pdb2_trans_out") {
+ if(++i>=argc) usage_error(argv[0]);
+ write_super_pdb_trans = true;
+ pdb2_trans_outfile = argv[i];
+
+ } else if (argstr == "-hetatoms") {
+ load_hetatoms = true;
+ } else {
+ usage_error(argv[0]);
+ }
+ }
+
+ if ( file1 == "" || file2 == "") usage_error(argv[0]);
+
+ pdb_system pdb1(file1,load_hetatoms);
+ pdb_system pdb2(file2,load_hetatoms);
+
+ // The selection logic is slightly wonky:
+ //
+ // Start by *selecting* everything, then deselect those atoms that
+ // don't meet the selection criteria. This way, we get the default
+ // behaviour (align everything) with minimal effort.
+ select(pdb1.structure_begin(),pdb1.structure_end());
+ select(pdb2.structure_begin(),pdb2.structure_end());
+
+ // if chains were specified for pdb1, deselect all other chains
+ if (chain1_list.size() > 0) {
+ pdb_system::const_chain_iterator ci = pdb1.system_begin();
+
+ while (ci != pdb1.system_end()) {
+ if (chain1_list.find(ci->chain_id()) == string::npos) {
+ select(ci->structure_begin(),
+ ci->structure_end(),
+ false);
+ }
+ ++ci;
+ }
+ }
+
+ // same thing for pdb2
+ if (chain2_list.size() > 0) {
+ pdb_system::const_chain_iterator ci = pdb2.system_begin();
+
+ while (ci != pdb2.system_end()) {
+ if (chain2_list.find(ci->chain_id()) == string::npos) {
+ select(ci->structure_begin(),
+ ci->structure_end(),
+ false);
+ }
+ ++ci;
+ }
+ }
+
+ // deselect those atoms that don't meet the requested filters.
+ // (the _inverse_ of a normal selection)
+ if(is_bb_filter)
+ inverse_selection(pdb1,pdb2,is_protein_bb());
+ if(is_calpha_filter)
+ inverse_selection(pdb1,pdb2,is_named("CA"));
+ if(is_start_filter)
+ inverse_selection(pdb1,pdb2,res_number_gt(start_group-1));
+ if(is_stop_filter)
+ inverse_selection(pdb1,pdb2,res_number_lt(stop_group+1));
+
+ double rmsd;
+
+ if (write_super_pdb || write_super_pdb_trans) {
+ BTK::MATH::BTKVector T;
+ BTK::MATH::BTKMatrix R;
+
+ rmsd =
+ leastsquares_superposition(make_filter_iterator<is_selected>(pdb1.structure_begin(),
+ pdb1.structure_end()),
+ make_filter_iterator<is_selected>(pdb1.structure_end(),
+ pdb1.structure_end()),
+ make_filter_iterator<is_selected>(pdb2.structure_begin(),
+ pdb2.structure_end()),
+ make_filter_iterator<is_selected>(pdb2.structure_end(),
+ pdb2.structure_end()),
+ R,
+ T);
+
+ if (write_super_pdb_trans) {
+ ofstream transout(pdb2_trans_outfile.c_str());
+ transout << R << T;
+ }
+
+ if (write_super_pdb) {
+ transform(pdb2.structure_begin(),pdb2.structure_end(),R,T);
+ ofstream pdbout(pdb2_outfile.c_str());
+ pdbout << pdb2;
+ }
+ } else {
+ rmsd =
+ get_rmsd(make_filter_iterator<is_selected>(pdb1.structure_begin(),
+ pdb1.structure_end()),
+ make_filter_iterator<is_selected>(pdb1.structure_end(),
+ pdb1.structure_end()),
+ make_filter_iterator<is_selected>(pdb2.structure_begin(),
+ pdb2.structure_end()),
+ make_filter_iterator<is_selected>(pdb2.structure_end(),
+ pdb2.structure_end()));
+ }
+
+ cout << "rmsd: " << rmsd << endl;
+}
diff --git a/examples/transform_structure.cpp b/examples/transform_structure.cpp
new file mode 100644
index 0000000..f6521f3
--- /dev/null
+++ b/examples/transform_structure.cpp
@@ -0,0 +1,86 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2004-2006, Christopher Saunders <ctsa at users.sourceforge.net>,
+// Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <fstream>
+#include <iostream>
+#include <string>
+#include <set>
+
+#include <btk/core/algorithms/transforms.hpp>
+#include <btk/core/atoms/pdb_atom.hpp>
+#include <btk/core/molecules/polymer.hpp>
+#include <btk/core/molecules/monomer.hpp>
+#include <btk/core/io/pdb_system.hpp>
+
+typedef BTK::ATOMS::PDBAtom atom;
+typedef BTK::MOLECULES::Monomer<atom> monomer;
+typedef BTK::MOLECULES::Polymer<monomer> polymer;
+typedef BTK::IO::PDBSystem<polymer> pdb_system;
+
+using BTK::ALGORITHMS::transform;
+
+int main(int argc, char **argv) {
+
+ if (argc < 3) {
+ std::cerr << "usage: " << argv[0]
+ << " transform_file pdb_file [chain_id [chain_id]]\n";
+ std::cerr << "\nMaps structure coordinates x to x' = Ux+T for\n"
+ << "the rotation U and translation T specified in\n"
+ << "transform_file.\n\n";
+ return 1;
+ }
+
+ std::string transfile,pdbfile;
+ std::set<char> chain_ids;
+
+ transfile = argv[1];
+ pdbfile = argv[2];
+
+ if (argc >= 4) {
+ for (int i = 3; i < argc; ++i)
+ chain_ids.insert(argv[i][0]);
+ }
+
+ pdb_system pdb(pdbfile);
+ pdb_system::chain_iterator ci;
+
+ if (!chain_ids.empty()) {
+ ci = pdb.system_begin();
+
+ while (ci != pdb.system_end()) {
+ if (chain_ids.find(ci->chain_id()) == chain_ids.end()) {
+ ci = pdb.erase(ci);
+ } else ++ci;
+ }
+ }
+
+ BTK::MATH::BTKMatrix U;
+ BTK::MATH::BTKVector T;
+
+ std::ifstream is(transfile.c_str());
+ is >> U >> T;
+
+ transform(pdb.structure_begin(),
+ pdb.structure_end(),
+ U,T);
+
+ std::cout << pdb << std::endl;
+}
diff --git a/tests/Makefile.am b/tests/Makefile.am
new file mode 100644
index 0000000..c59530e
--- /dev/null
+++ b/tests/Makefile.am
@@ -0,0 +1,45 @@
+INCLUDES = -I$(top_builddir)
+LDADD = $(top_builddir)/btk/core/libbtk_core_ at VERSION@.a
+AM_CXXFLAGS = -g
+
+all: check
+
+test_programs = \
+ test_grouped_iterator \
+ test_dictionary \
+ test_vector_geometry \
+ test_atoms \
+ test_btk_container \
+ test_molecule \
+ test_monomer \
+ test_polymer \
+ test_system \
+ test_pdb_system \
+ test_pdb_output
+
+TESTS = $(test_programs)
+
+check_PROGRAMS = $(test_programs)
+
+test_atoms_SOURCES = test_atoms.cpp
+test_grouped_iterator_SOURCES = test_grouped_iterator.cpp
+test_dictionary_SOURCES = test_dictionary.cpp
+test_molecule_SOURCES = test_molecule.cpp
+test_monomer_SOURCES = test_monomer.cpp
+test_btk_container_SOURCES = test_btk_container.cpp
+test_vector_geometry_SOURCES = test_vector_geometry.cpp
+test_polymer_SOURCES = test_polymer.cpp
+test_system_SOURCES = test_system.cpp
+test_pdb_system_SOURCES = test_pdb_system.cpp
+test_pdb_output_SOURCES = test_pdb_output.cpp
+
+EXTRA_DIST = \
+atomic_structure_tests.hpp \
+btk_container_tests.hpp \
+chain_tests.hpp \
+polymer_structure_tests.hpp \
+system_tests.hpp \
+test_common.hpp \
+multi_model_test.pdb \
+test.pdb \
+test.short.pdb
\ No newline at end of file
diff --git a/tests/Makefile.in b/tests/Makefile.in
new file mode 100644
index 0000000..ad7bd63
--- /dev/null
+++ b/tests/Makefile.in
@@ -0,0 +1,516 @@
+# Makefile.in generated by automake 1.6.3 from Makefile.am.
+# @configure_input@
+
+# Copyright 1994, 1995, 1996, 1997, 1998, 1999, 2000, 2001, 2002
+# Free Software Foundation, Inc.
+# This Makefile.in is free software; the Free Software Foundation
+# gives unlimited permission to copy and/or distribute it,
+# with or without modifications, as long as this notice is preserved.
+
+# This program is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY, to the extent permitted by law; without
+# even the implied warranty of MERCHANTABILITY or FITNESS FOR A
+# PARTICULAR PURPOSE.
+
+ at SET_MAKE@
+SHELL = @SHELL@
+
+srcdir = @srcdir@
+top_srcdir = @top_srcdir@
+VPATH = @srcdir@
+prefix = @prefix@
+exec_prefix = @exec_prefix@
+
+bindir = @bindir@
+sbindir = @sbindir@
+libexecdir = @libexecdir@
+datadir = @datadir@
+sysconfdir = @sysconfdir@
+sharedstatedir = @sharedstatedir@
+localstatedir = @localstatedir@
+libdir = @libdir@
+infodir = @infodir@
+mandir = @mandir@
+includedir = @includedir@
+oldincludedir = /usr/include
+pkgdatadir = $(datadir)/@PACKAGE@
+pkglibdir = $(libdir)/@PACKAGE@
+pkgincludedir = $(includedir)/@PACKAGE@
+top_builddir = ..
+
+ACLOCAL = @ACLOCAL@
+AUTOCONF = @AUTOCONF@
+AUTOMAKE = @AUTOMAKE@
+AUTOHEADER = @AUTOHEADER@
+
+am__cd = CDPATH="$${ZSH_VERSION+.}$(PATH_SEPARATOR)" && cd
+INSTALL = @INSTALL@
+INSTALL_PROGRAM = @INSTALL_PROGRAM@
+INSTALL_DATA = @INSTALL_DATA@
+install_sh_DATA = $(install_sh) -c -m 644
+install_sh_PROGRAM = $(install_sh) -c
+install_sh_SCRIPT = $(install_sh) -c
+INSTALL_SCRIPT = @INSTALL_SCRIPT@
+INSTALL_HEADER = $(INSTALL_DATA)
+transform = @program_transform_name@
+NORMAL_INSTALL = :
+PRE_INSTALL = :
+POST_INSTALL = :
+NORMAL_UNINSTALL = :
+PRE_UNINSTALL = :
+POST_UNINSTALL = :
+
+EXEEXT = @EXEEXT@
+OBJEXT = @OBJEXT@
+PATH_SEPARATOR = @PATH_SEPARATOR@
+AMTAR = @AMTAR@
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+CC = @CC@
+CXX = @CXX@
+DEPDIR = @DEPDIR@
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+LN_S = @LN_S@
+PACKAGE = @PACKAGE@
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+VERSION = @VERSION@
+am__include = @am__include@
+am__quote = @am__quote@
+install_sh = @install_sh@
+INCLUDES = -I$(top_builddir)
+LDADD = $(top_builddir)/btk/core/libbtk_core_ at VERSION@.a
+AM_CXXFLAGS = -g
+
+test_programs = \
+ test_grouped_iterator \
+ test_dictionary \
+ test_vector_geometry \
+ test_atoms \
+ test_btk_container \
+ test_molecule \
+ test_monomer \
+ test_polymer \
+ test_system \
+ test_pdb_system \
+ test_pdb_output
+
+
+TESTS = $(test_programs)
+
+check_PROGRAMS = $(test_programs)
+
+test_atoms_SOURCES = test_atoms.cpp
+test_grouped_iterator_SOURCES = test_grouped_iterator.cpp
+test_dictionary_SOURCES = test_dictionary.cpp
+test_molecule_SOURCES = test_molecule.cpp
+test_monomer_SOURCES = test_monomer.cpp
+test_btk_container_SOURCES = test_btk_container.cpp
+test_vector_geometry_SOURCES = test_vector_geometry.cpp
+test_polymer_SOURCES = test_polymer.cpp
+test_system_SOURCES = test_system.cpp
+test_pdb_system_SOURCES = test_pdb_system.cpp
+test_pdb_output_SOURCES = test_pdb_output.cpp
+
+EXTRA_DIST = \
+atomic_structure_tests.hpp \
+btk_container_tests.hpp \
+chain_tests.hpp \
+polymer_structure_tests.hpp \
+system_tests.hpp \
+test_common.hpp \
+multi_model_test.pdb \
+test.pdb \
+test.short.pdb
+
+subdir = tests
+mkinstalldirs = $(SHELL) $(top_srcdir)/btk/core/config/mkinstalldirs
+CONFIG_HEADER = $(top_builddir)/btk/core/config/config.h
+CONFIG_CLEAN_FILES =
+check_PROGRAMS = test_grouped_iterator$(EXEEXT) test_dictionary$(EXEEXT) \
+ test_vector_geometry$(EXEEXT) test_atoms$(EXEEXT) \
+ test_btk_container$(EXEEXT) test_molecule$(EXEEXT) \
+ test_monomer$(EXEEXT) test_polymer$(EXEEXT) \
+ test_system$(EXEEXT) test_pdb_system$(EXEEXT) \
+ test_pdb_output$(EXEEXT)
+am_test_atoms_OBJECTS = test_atoms.$(OBJEXT)
+test_atoms_OBJECTS = $(am_test_atoms_OBJECTS)
+test_atoms_LDADD = $(LDADD)
+test_atoms_DEPENDENCIES = \
+ $(top_builddir)/btk/core/libbtk_core_ at VERSION@.a
+test_atoms_LDFLAGS =
+am_test_btk_container_OBJECTS = test_btk_container.$(OBJEXT)
+test_btk_container_OBJECTS = $(am_test_btk_container_OBJECTS)
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+test_btk_container_DEPENDENCIES = \
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+test_btk_container_LDFLAGS =
+am_test_dictionary_OBJECTS = test_dictionary.$(OBJEXT)
+test_dictionary_OBJECTS = $(am_test_dictionary_OBJECTS)
+test_dictionary_LDADD = $(LDADD)
+test_dictionary_DEPENDENCIES = \
+ $(top_builddir)/btk/core/libbtk_core_ at VERSION@.a
+test_dictionary_LDFLAGS =
+am_test_grouped_iterator_OBJECTS = test_grouped_iterator.$(OBJEXT)
+test_grouped_iterator_OBJECTS = $(am_test_grouped_iterator_OBJECTS)
+test_grouped_iterator_LDADD = $(LDADD)
+test_grouped_iterator_DEPENDENCIES = \
+ $(top_builddir)/btk/core/libbtk_core_ at VERSION@.a
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+am_test_molecule_OBJECTS = test_molecule.$(OBJEXT)
+test_molecule_OBJECTS = $(am_test_molecule_OBJECTS)
+test_molecule_LDADD = $(LDADD)
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+ $(top_builddir)/btk/core/libbtk_core_ at VERSION@.a
+test_molecule_LDFLAGS =
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+test_monomer_LDADD = $(LDADD)
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+ $(top_builddir)/btk/core/libbtk_core_ at VERSION@.a
+test_monomer_LDFLAGS =
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+test_pdb_output_DEPENDENCIES = \
+ $(top_builddir)/btk/core/libbtk_core_ at VERSION@.a
+test_pdb_output_LDFLAGS =
+am_test_pdb_system_OBJECTS = test_pdb_system.$(OBJEXT)
+test_pdb_system_OBJECTS = $(am_test_pdb_system_OBJECTS)
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+test_pdb_system_DEPENDENCIES = \
+ $(top_builddir)/btk/core/libbtk_core_ at VERSION@.a
+test_pdb_system_LDFLAGS =
+am_test_polymer_OBJECTS = test_polymer.$(OBJEXT)
+test_polymer_OBJECTS = $(am_test_polymer_OBJECTS)
+test_polymer_LDADD = $(LDADD)
+test_polymer_DEPENDENCIES = \
+ $(top_builddir)/btk/core/libbtk_core_ at VERSION@.a
+test_polymer_LDFLAGS =
+am_test_system_OBJECTS = test_system.$(OBJEXT)
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+ $(top_builddir)/btk/core/libbtk_core_ at VERSION@.a
+test_system_LDFLAGS =
+am_test_vector_geometry_OBJECTS = test_vector_geometry.$(OBJEXT)
+test_vector_geometry_OBJECTS = $(am_test_vector_geometry_OBJECTS)
+test_vector_geometry_LDADD = $(LDADD)
+test_vector_geometry_DEPENDENCIES = \
+ $(top_builddir)/btk/core/libbtk_core_ at VERSION@.a
+test_vector_geometry_LDFLAGS =
+
+DEFS = @DEFS@
+DEFAULT_INCLUDES = -I. -I$(srcdir) -I$(top_builddir)/btk/core/config
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+depcomp = $(SHELL) $(top_srcdir)/btk/core/config/depcomp
+am__depfiles_maybe = depfiles
+ at AMDEP_TRUE@DEP_FILES = ./$(DEPDIR)/test_atoms.Po \
+ at AMDEP_TRUE@ ./$(DEPDIR)/test_btk_container.Po \
+ at AMDEP_TRUE@ ./$(DEPDIR)/test_dictionary.Po \
+ at AMDEP_TRUE@ ./$(DEPDIR)/test_grouped_iterator.Po \
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diff --git a/tests/atomic_structure_tests.hpp b/tests/atomic_structure_tests.hpp
new file mode 100644
index 0000000..4b3dba7
--- /dev/null
+++ b/tests/atomic_structure_tests.hpp
@@ -0,0 +1,129 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_ATOMIC_STRUCTURE_TESTS_HPP
+#define BTK_ATOMIC_STRUCTURE_TESTS_HPP
+
+#include <cstdlib>
+#include <algorithm>
+
+#include <boost/detail/lightweight_test.hpp>
+
+#include <btk/core/concepts/atomic_structure_concept.hpp>
+#include <btk/core/atoms/atom.hpp>
+#include <btk/core/math/btk_vector.hpp>
+
+#include "btk_container_tests.hpp"
+
+struct RandomAtomGenerator
+{
+ typedef BTK::ATOMS::Atom<>::chemical_type_system type_system;
+ typedef BTK::ATOMS::Atom<>::atom_id_type atom_id_type;
+ typedef BTK::ATOMS::Atom<>::element_id_type element_id_type;
+
+ BTK::ATOMS::Atom<> operator()(void) const
+ {
+ double x = std::rand();
+ double y = std::rand();
+ double z = std::rand();
+
+ return BTK::ATOMS::Atom<>(BTK::MATH::BTKVector(x,y,z),
+ atom_id_type(),
+ element_id_type(),
+ _num++,
+ _dictionary);
+ }
+
+ static type_system _dictionary;
+ static int _num;
+};
+
+RandomAtomGenerator::type_system RandomAtomGenerator::_dictionary;
+int RandomAtomGenerator::_num = 1;
+
+template <typename MutableAtomicStructureType>
+void test_mutable_atomic_structure_type()
+{
+ using BTK::CONCEPTS::MutableAtomicStructureConcept;
+ boost::function_requires<MutableAtomicStructureConcept<MutableAtomicStructureType> >();
+
+ // Test the methods required by BTKSequence
+ test_btk_sequence_type<MutableAtomicStructureType,RandomAtomGenerator>();
+
+ MutableAtomicStructureType as(314);
+
+ std::generate(as.structure_begin(),as.structure_end(),RandomAtomGenerator());
+
+ // Test the methods required by AtomicStructure
+ test_atomic_structure(as);
+}
+
+template <typename AtomicStructureType>
+void test_atomic_structure(AtomicStructureType & a)
+{
+ BOOST_TEST(!a.empty());
+
+ using BTK::CONCEPTS::AtomicStructureConcept;
+ boost::function_requires<AtomicStructureConcept<AtomicStructureType> >();
+
+ // Test the methods required by BTKContainer.
+ test_btk_container(a);
+
+ // test const methods
+ test_const_atomic_structure(a);
+
+ // test atom iteration
+ test_iteration(a.structure_begin(),a.structure_end(),
+ a.size());
+
+ // test reverse atom iteration
+ test_iteration(a.structure_rbegin(),a.structure_rend(),
+ a.size());
+
+ // test copy construction.
+ AtomicStructureType a2(a);
+ BOOST_TEST(a2 == a);
+ BOOST_TEST(std::equal(a.structure_begin(),a.structure_end(),
+ a2.structure_begin()));
+}
+
+template <typename AtomicStructureType>
+void test_const_atomic_structure(AtomicStructureType const & a)
+{
+ BOOST_TEST(!a.empty());
+
+ using BTK::CONCEPTS::AtomicStructureConcept;
+ boost::function_requires<AtomicStructureConcept<AtomicStructureType> >();
+
+ BOOST_TEST(a.size() == a.num_atoms());
+
+ // test the const methods required by BTKContainer
+ test_const_btk_container(a);
+
+ // test atom iteration
+ test_iteration(a.structure_begin(),a.structure_end(),
+ a.size());
+
+ // test reverse atom iteration
+ test_iteration(a.structure_rbegin(),a.structure_rend(),
+ a.size());
+}
+
+#endif
diff --git a/tests/btk_container_tests.hpp b/tests/btk_container_tests.hpp
new file mode 100644
index 0000000..88665a1
--- /dev/null
+++ b/tests/btk_container_tests.hpp
@@ -0,0 +1,173 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_CONTAINER_TESTS_HPP
+#define BTK_CONTAINER_TESTS_HPP
+
+#include <vector>
+#include <algorithm>
+#include <iterator>
+
+#include <btk/core/concepts/btk_container_concept.hpp>
+
+#include "test_common.hpp"
+
+
+template <typename SequenceType, typename Generator>
+void test_btk_sequence_type()
+{
+ typedef SequenceType sequence;
+ typedef typename SequenceType::value_type value_type;
+ typedef typename SequenceType::size_type size_type;
+ typedef typename SequenceType::iterator iterator;
+ typedef typename SequenceType::const_iterator const_iterator;
+ typedef std::vector<value_type> value_vector;
+
+ // Create and fill a value vector
+ value_vector vec(123);
+ Generator gen;
+ std::generate(vec.begin(),vec.end(),gen);
+
+ {
+ sequence c1;
+ BOOST_TEST(c1.empty());
+
+ sequence c2(30);
+ BOOST_TEST(c2.size() == 30);
+
+ sequence c3(size_type(30),value_type());
+ BOOST_TEST(c3.size() == 30);
+ }
+
+ sequence c4(vec.begin(),vec.end());
+ BOOST_TEST(std::equal(vec.begin(),vec.end(),c4.begin()));
+
+ sequence c5(c4);
+ BOOST_TEST(c4 == c5);
+ BOOST_TEST(std::equal(c4.begin(),c4.end(),c5.begin()));
+
+ // Test BTKContainer methods (const and non-const)
+ test_btk_container(c5);
+
+ //
+ // Test STL Sequence methods.
+ //
+
+ // insert(pos,value)
+ value_type v = gen();
+ c5.insert(c5.begin(),v);
+ BOOST_TEST(c5.front() == v);
+
+ c5.insert(c5.end(),v);
+ BOOST_TEST(*(--c5.end()) == v);
+
+ // clear()
+ c5.clear();
+ BOOST_TEST(c5.empty());
+
+ // insert(pos,n,value)
+ c5.insert(c5.begin(),size_type(30),v);
+ BOOST_TEST(c5.size() == 30);
+ BOOST_TEST(c5.front() == v);
+
+ // insert(pos,InputIterator,InputIterator)
+ c5.clear();
+ c5.insert(c5.begin(),vec.begin(),vec.end());
+ BOOST_TEST(std::equal(vec.begin(),vec.end(),c5.begin()));
+
+ // erase(pos)
+ c5.erase(c5.begin());
+ BOOST_TEST(c5.size() == vec.size()-1);
+
+ // erase(p,q)
+ iterator i = c5.begin();
+ i++; i++; i++;
+ c5.erase(i,c5.end());
+ BOOST_TEST(c5.size() == 3);
+ c5.erase(c5.begin(),c5.end());
+ BOOST_TEST(c5.empty());
+
+ // resize(n,t)
+ c5.resize(10,v);
+ BOOST_TEST(c5.size() == 10);
+ BOOST_TEST(c5.front() == v);
+
+ // resize(n)
+ c5.resize(5);
+ BOOST_TEST(c5.size() == 5);
+ BOOST_TEST(c5.front() == v);
+}
+
+template <typename T>
+void test_btk_container(T & container)
+{
+ boost::function_requires<BTK::CONCEPTS::MutableBTKContainerConcept<T> >();
+
+ BOOST_TEST(!container.empty());
+
+ // test const methods.
+ test_const_btk_container(container);
+
+ // test non-const iteration
+ test_iteration(container.begin(),container.end(),
+ container.size());
+ test_iteration(container.rbegin(),container.rend(),
+ container.size());
+
+ // test bracket operators (get last element)
+ unsigned idx = container.size() - 1;
+ typename T::const_iterator i = container.begin();
+ std::advance(i,idx);
+
+ BOOST_TEST(container[idx] == *i);
+
+ // test ReversibleContainer methods
+ T c2, c3;
+
+ c2 = container;
+ BOOST_TEST(container == c2);
+
+ c3.swap(c2);
+ BOOST_TEST(container != c2);
+ BOOST_TEST(container == c3);
+ BOOST_TEST(c2.empty());
+}
+
+template <typename T>
+void test_const_btk_container(T const & container)
+{
+ boost::function_requires<BTK::CONCEPTS::BTKContainerConcept<T> >();
+
+ BOOST_TEST(!container.empty());
+
+ test_iteration(container.begin(),container.end(),
+ container.size());
+ test_iteration(container.rbegin(),container.rend(),
+ container.size());
+
+ // test bracket operators (get last element)
+ unsigned idx = container.size() - 1;
+ typename T::const_iterator i = container.begin();
+ std::advance(i,idx);
+
+ BOOST_TEST(container[idx] == *i);
+}
+
+#endif // BTK_CONTAINER_TESTS_HPP
diff --git a/tests/chain_tests.hpp b/tests/chain_tests.hpp
new file mode 100644
index 0000000..525ab58
--- /dev/null
+++ b/tests/chain_tests.hpp
@@ -0,0 +1,42 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_CHAIN_TESTS_HPP
+#define BTK_CHAIN_TESTS_HPP
+
+#include "atomic_structure_tests.hpp"
+
+template <typename ChainType>
+void test_chain(ChainType & c)
+{
+ c.set_chain_id('J');
+ BOOST_TEST(c.chain_id() == 'J');
+
+ test_const_chain(c,'J');
+ test_atomic_structure(c);
+}
+
+template <typename ChainType>
+void test_const_chain(ChainType const & c, char ch)
+{
+ BOOST_TEST(ch == c.chain_id());
+}
+
+#endif
diff --git a/tests/multi_model_test.pdb b/tests/multi_model_test.pdb
new file mode 100644
index 0000000..edd7c81
--- /dev/null
+++ b/tests/multi_model_test.pdb
@@ -0,0 +1,13791 @@
+HEADER COMPLEMENT REGULATORY PROTEIN 01-JUN-94 1CDR 1CDR 2
+COMPND CD59 COMPLEXED WITH GLCNAC-BETA-1,4-GLCNAC-BETA-1 1CDR 3
+COMPND 2 (NMR, 10 STRUCTURES) 1CDR 4
+SOURCE HUMAN (HOMO SAPIENS) 1CDR 5
+EXPDTA NMR 1CDR 6
+AUTHOR C.M.FLETCHER,R.A.HARRISON,P.J.LACHMANN,D.NEUHAUS 1CDR 7
+REVDAT 1 30-SEP-94 1CDR 0 1CDR 8
+JRNL AUTH C.M.FLETCHER,R.A.HARRISON,P.J.LACHMANN,D.NEUHAUS 1CDR 9
+JRNL TITL STRUCTURE OF A SOLUBLE, GLYCOSYLATED FORM OF THE 1CDR 10
+JRNL TITL 2 HUMAN COMPLEMENT REGULATORY PROTEIN CD59 1CDR 11
+JRNL REF STRUCTURE V. 2 185 1994 1CDR 12
+JRNL REFN ASTM UK ISSN 0969-2126 2005 1CDR 13
+REMARK 1 1CDR 14
+REMARK 1 REFERENCE 1 1CDR 15
+REMARK 1 AUTH C.M.FLETCHER,R.A.HARRISON,P.J.LACHMANN,D.NEUHAUS 1CDR 16
+REMARK 1 TITL SEQUENCE-SPECIFIC 1H-NMR ASSIGNMENTS AND FOLDING 1CDR 17
+REMARK 1 TITL 2 TOPOLOGY OF HUMAN CD59 1CDR 18
+REMARK 1 REF PROTEIN SCI. V. 2 2015 1993 1CDR 19
+REMARK 1 REFN ASTM US ISSN 0961-8368 0795 1CDR 20
+REMARK 1 REFERENCE 2 1CDR 21
+REMARK 1 AUTH A.DAVIES,P.J.LACHMANN 1CDR 22
+REMARK 1 TITL MEMBRANE DEFENCE AGAINST COMPLEMENT LYSIS: THE 1CDR 23
+REMARK 1 TITL 2 STRUCTURE AND BIOLOGICAL PROPERTIES OF CD59 1CDR 24
+REMARK 1 REF IMMUNOL.RES. V. 12 258 1993 1CDR 25
+REMARK 1 REFN ASTM US ISSN 0257-277X 2031 1CDR 26
+REMARK 2 1CDR 27
+REMARK 2 RESOLUTION. NOT APPLICABLE. SEE REMARK 4. 1CDR 28
+REMARK 3 1CDR 29
+REMARK 3 REFINEMENT. 1CDR 30
+REMARK 3 PROGRAM X-PLOR 1CDR 31
+REMARK 3 AUTHORS BRUNGER 1CDR 32
+REMARK 3 1CDR 33
+REMARK 3 NUMBER OF PROTEIN ATOMS 1269 1CDR 34
+REMARK 3 1CDR 35
+REMARK 3 THE STRUCTURES WERE CALCULATED USING A SIMULATED ANNEALING 1CDR 36
+REMARK 3 PROTOCOL ESSENTIALLY AS SUPPLIED WITH THE PROGRAM X-PLOR 1CDR 37
+REMARK 3 3.1, BUT STARTING FROM STRUCTURES WITH RANDOMIZED PHI, PSI 1CDR 38
+REMARK 3 AND GLYCOSIDIC TORSION ANGLES. CENTER AVERAGING WAS USED 1CDR 39
+REMARK 3 FOR NOE CONSTRAINTS INVOLVING DEGENERATE OR 1CDR 40
+REMARK 3 NON-STEREOSPECIFICALLY ASSIGNED RESONANCES. 1CDR 41
+REMARK 3 1CDR 42
+REMARK 3 PROGRAMS: 1CDR 43
+REMARK 3 1CDR 44
+REMARK 3 SIMULATED ANNEALING: NILGES, GRONENBORN, BRUNGER, AND 1CDR 45
+REMARK 3 CLORE, PROT. ENG., VOL. 2, 27 - 1CDR 46
+REMARK 3 38, (1988) 1CDR 47
+REMARK 3 X-PLOR: NILGES, KUSZEWSKI AND BRUNGER: 1CDR 48
+REMARK 3 "COMPUTATIONAL ASPECTS OF 1CDR 49
+REMARK 3 BIOLOGICAL MACROMOLECULES BY NMR." 1CDR 50
+REMARK 3 PLENUM PRESS, NEW YORK (1991). 1CDR 51
+REMARK 3 BRUNGER: "X-PLOR 3.1", YALE 1CDR 52
+REMARK 3 UNIVERSITY PRESS, NEW HAVEN, CT, 1CDR 53
+REMARK 3 U.S.A. 1CDR 54
+REMARK 4 1CDR 55
+REMARK 4 THESE COORDINATES WERE GENERATED FROM SOLUTION NMR DATA. 1CDR 56
+REMARK 4 PROTEIN DATA BANK CONVENTIONS REQUIRE THAT *CRYST1* AND 1CDR 57
+REMARK 4 *SCALE* RECORDS BE INCLUDED, BUT THE VALUES ON THESE 1CDR 58
+REMARK 4 RECORDS ARE MEANINGLESS. 1CDR 59
+REMARK 5 1CDR 60
+REMARK 5 CARBOHYDRATE GROUPS: 1CDR 61
+REMARK 5 CD59 IS A GLYCOPROTEIN, CONTAINING AN N-LINKED 1CDR 62
+REMARK 5 OLIGOSACCHARIDE AT ASN 18 AND A 1CDR 63
+REMARK 5 GLYCOSYLPHOSPHATIDYLINOSITOL (GPI) MEMBRANE ANCHOR AT THE 1CDR 64
+REMARK 5 C-TERMINUS. CD59 PURIFIED FROM HUMAN URINE, AS USED FOR 1CDR 65
+REMARK 5 THE DETERMINATION OF THIS STRUCTURE, RETAINS THE N-LINKED 1CDR 66
+REMARK 5 OLIGOSACCHARIDE AND THE NON-LIPID PART OF THE GPI-ANCHOR. 1CDR 67
+REMARK 5 THE NMR CONSTRAINTS WERE, THEREFORE, DERIVED FROM THE 1CDR 68
+REMARK 5 MOLECULE CONTAINING MOST OF THE NATIVE CARBOHYDRATE GROUPS. 1CDR 69
+REMARK 5 THE COORDINATES GIVEN HERE WERE GENERATED BY A STRUCTURE 1CDR 70
+REMARK 5 CALCULATION IN WHICH THE FOLLOWING CARBOHYDRATE FRAGMENT, 1CDR 71
+REMARK 5 GLCNAC-BETA-1, 4-(FUC-ALPHA-1, 6-)GLCNAC-BETA-1, N ASN 18 1CDR 72
+REMARK 5 WAS INCLUDED IN THE COMPUTATIONAL MODEL IN ADDITION 1CDR 73
+REMARK 5 TO THE PROTEIN COMPONENT. THE CARBOHYDRATE RESIDUES ARE 1CDR 74
+REMARK 5 NUMBERED 79, 80, AND 78, RESPECTIVELY, IN THE ORDER SHOWN 1CDR 75
+REMARK 5 ABOVE. 1CDR 76
+REMARK 6 1CDR 77
+REMARK 6 THE DEPOSITORS HAVE CARRIED OUT OTHER STRUCTURE 1CDR 78
+REMARK 6 CALCULATIONS IN WHICH THE COMPUTATIONAL MODEL EITHER 1CDR 79
+REMARK 6 CONSISTED OF THE PROTEIN COMPONENT ALONE OR INCLUDED AN 1CDR 80
+REMARK 6 ALTERNATIVE CARBOHYDRATE FRAGMENT. THESE COORDINATES ARE 1CDR 81
+REMARK 6 AVAILABLE IN PROTEIN DATA BANK ENTRIES 1CDQ AND 1CDS. THE 1CDR 82
+REMARK 6 STRUCTURE OF PROTEIN COMPONENT IS NOT SIGNIFICANTLY 1CDR 83
+REMARK 6 AFFECTED BY THE INCLUSION OF EITHER CARBOHYDRATE FRAGMENT 1CDR 84
+REMARK 6 IN THE COMPUTATIONAL MODEL. HOWEVER, ANY INVESTIGATION OF 1CDR 85
+REMARK 6 SURFACE FEATURES OF THE MOLECULE SHOULD TAKE INTO ACCOUNT 1CDR 86
+REMARK 6 THE PRESENCE OF THE CARBOHYDRATE GROUPS. 1CDR 87
+REMARK 7 1CDR 88
+REMARK 7 C-TERMINAL RESIDUE: 1CDR 89
+REMARK 7 THE IDENTITY OF THE C-TERMINAL RESIDUE OF CD59 HAS BEEN 1CDR 90
+REMARK 7 UNCERTAIN DUE TO THE POST-TRANSLATIONAL MODIFICATION WHICH 1CDR 91
+REMARK 7 LEADS TO THE ADDITION OF THE GPI ANCHOR. THE DEPOSITORS' 1CDR 92
+REMARK 7 NMR ANALYSIS INDICATES THAT THE C-TERMINAL RESIDUE OF CD59 1CDR 93
+REMARK 7 FROM HUMAN URINE IS ASN 77. THIS IS CONFIRMED BY THE 1CDR 94
+REMARK 7 INDEPENDENT WORK OF SUGITA ET AL. (1993) J.BIOCHEM.(TOKYO) 1CDR 95
+REMARK 7 114, 473 - 477. 1CDR 96
+REMARK 8 1CDR 97
+REMARK 8 SUMMARY OF NMR-DERIVED CONSTRAINTS: 1CDR 98
+REMARK 8 1CDR 99
+REMARK 8 THE FULL CONSTRAINT LIST IS AVAILABLE FROM THE PROTEIN 1CDR 100
+REMARK 8 DATA BANK. 1CDR 101
+REMARK 8 1CDR 102
+REMARK 8 1. NOE CONSTRAINTS 1CDR 103
+REMARK 8 1CDR 104
+REMARK 8 (A) UPPER LIMIT CONSTRAINTS 1CDR 105
+REMARK 8 1CDR 106
+REMARK 8 PROTEIN: 1CDR 107
+REMARK 8 INTRA-RESIDUE = 166 1CDR 108
+REMARK 8 SEQUENTIAL = 225 1CDR 109
+REMARK 8 MEDIUM RANGE (|I-J| < 5) = 119 1CDR 110
+REMARK 8 LONG RANGE (|I-J| > 4) = 289 1CDR 111
+REMARK 8 1CDR 112
+REMARK 8 CARBOHYDRATE: 1CDR 113
+REMARK 8 1CDR 114
+REMARK 8 INTRA-RESIDUE = 3 1CDR 115
+REMARK 8 1CDR 116
+REMARK 8 PROTEIN-CARBOHYDRATE = 16 1CDR 117
+REMARK 8 1CDR 118
+REMARK 8 TOTAL = 818 1CDR 119
+REMARK 8 1CDR 120
+REMARK 8 (B) LOWER LIMIT CONSTRAINTS 1CDR 121
+REMARK 8 1CDR 122
+REMARK 8 3 LOWER LIMIT DISTANCE CONSTRAINTS 1CDR 123
+REMARK 8 1CDR 124
+REMARK 8 2. DIHEDRAL CONSTRAINTS 1CDR 125
+REMARK 8 1CDR 126
+REMARK 8 12 CHI-1 ANGLE CONSTRAINTS AND 4 PHI ANGLE CONSTRAINTS 1CDR 127
+REMARK 8 1CDR 128
+REMARK 8 3. HYDROGEN BOND CONSTRAINTS 1CDR 129
+REMARK 8 1CDR 130
+REMARK 8 10 HYDROGEN BOND CONSTRAINTS 1CDR 131
+REMARK 9 1CDR 132
+REMARK 9 SELECTION OF STRUCTURES FOR DEPOSITION: 1CDR 133
+REMARK 9 THE DEPOSITORS CALCULATED 30 STRUCTURES OF WHICH 14 WERE 1CDR 134
+REMARK 9 DISCARDED DUE TO A POOR FIT TO THE EXPERIMENTAL CONSTRAINTS 1CDR 135
+REMARK 9 AND/OR LARGE DEVIATIONS FROM IDEAL GEOMETRY. THE 1CDR 136
+REMARK 9 STRUCTURES GIVEN HERE ARE THE 10 OUT OF THE REMAINING 16 1CDR 137
+REMARK 9 STRUCTURES WHICH HAVE THE LOWEST DISTANCE CONSTRAINT 1CDR 138
+REMARK 9 ENERGIES. THEY ARE ARRANGED IN ORDER OF INCREASING DISTANCE 1CDR 139
+REMARK 9 CONSTRAINT ENERGY; I.E., THE BEST STRUCTURE IS FIRST. 1CDR 140
+REMARK 10 1CDR 141
+REMARK 10 SOME ENERGY TERMS: 1CDR 142
+REMARK 10 THE TABLE BELOW GIVES THE TOTAL, VAN DER WAALS, DIHEDRAL 1CDR 143
+REMARK 10 ANGLE CONSTRAINT AND DISTANCE CONSTRAINT (NOE AND HYDROGEN 1CDR 144
+REMARK 10 BOND) ENERGIES IN KCAL. 1CDR 145
+REMARK 10 1CDR 146
+REMARK 10 MODEL E(TOTAL) E(VDW) E(DIHEDRAL) E(DISTANCE) 1CDR 147
+REMARK 10 1CDR 148
+REMARK 10 1 92.478 3.572 0.043 4.100 1CDR 149
+REMARK 10 2 85.571 1.127 0.008 4.544 1CDR 150
+REMARK 10 3 87.039 1.339 0.016 4.805 1CDR 151
+REMARK 10 4 87.689 2.040 0.001 5.045 1CDR 152
+REMARK 10 5 94.129 3.700 0.006 5.023 1CDR 153
+REMARK 10 6 87.145 1.988 0.016 5.378 1CDR 154
+REMARK 10 7 87.087 1.950 0.002 5.386 1CDR 155
+REMARK 10 8 89.551 1.647 0.089 5.729 1CDR 156
+REMARK 10 9 91.698 2.212 0.057 6.297 1CDR 157
+REMARK 10 10 96.669 3.031 0.055 7.410 1CDR 158
+REMARK 11 1CDR 159
+REMARK 11 ATOMIC RMS DEVIATIONS: 1CDR 160
+REMARK 11 RMS DEVIATIONS FOR THE PROTEIN COMPONENT ARE GIVEN 1CDR 161
+REMARK 11 IN THE HEADER OF THE COORDINATES CALCULATED FOR 1CDR 162
+REMARK 11 THE PROTEIN COMPONENT ALONE (ENTRY 1CDQ). 1CDR 163
+REMARK 12 1CDR 164
+REMARK 12 HYDROGEN BONDS: 1CDR 165
+REMARK 12 THE HYDROGEN BONDS GIVEN IN THIS HEADER ARE BASED UPON 1CDR 166
+REMARK 12 THE PRESENCE OF SLOWLY-EXCHANGING AMIDE PROTONS IDENTIFIED 1CDR 167
+REMARK 12 BY NMR AND ANALYSIS OF PARTIALLY REFINED STRUCTURES. ALL 1CDR 168
+REMARK 12 OF THESE HYDROGEN BONDS WERE INCLUDED AS CONSTRAINTS IN 1CDR 169
+REMARK 12 THE FINAL STRUCTURE CALCULATIONS. OTHER POSSIBLE HYDROGEN 1CDR 170
+REMARK 12 BONDS ARE DISCUSSED IN THE JOURNAL ARTICLE WHICH DESCRIBES 1CDR 171
+REMARK 12 THE STRUCTURE. 1CDR 172
+REMARK 13 1CDR 173
+REMARK 13 CROSS REFERENCE TO SEQUENCE DATABASE 1CDR 174
+REMARK 13 SWISS-PROT ENTRY NAME PDB ENTRY CHAIN NAME 1CDR 175
+REMARK 13 CD59_HUMAN 1CDR 176
+REMARK 14 1CDR 177
+REMARK 14 THIS MOLECULE WAS PREVIOUSLY CALLED P-18, MACIF, MIRL, 1CDR 178
+REMARK 14 HRF-20, 1F5 ANTIGEN, H19 AND PROTECTIN. 1CDR 179
+SEQRES 1 77 LEU GLN CYS TYR ASN CYS PRO ASN PRO THR ALA ASP CYS 1CDR 180
+SEQRES 2 77 LYS THR ALA VAL ASN CYS SER SER ASP PHE ASP ALA CYS 1CDR 181
+SEQRES 3 77 LEU ILE THR LYS ALA GLY LEU GLN VAL TYR ASN LYS CYS 1CDR 182
+SEQRES 4 77 TRP LYS PHE GLU HIS CYS ASN PHE ASN ASP VAL THR THR 1CDR 183
+SEQRES 5 77 ARG LEU ARG GLU ASN GLU LEU THR TYR TYR CYS CYS LYS 1CDR 184
+SEQRES 6 77 LYS ASP LEU CYS ASN PHE ASN GLU GLN LEU GLU ASN 1CDR 185
+FTNOTE 1 1CDR 186
+FTNOTE 1 ASN 18 IS COVALENTLY BOUND THROUGH ND2 TO NAG 78 AT C1. 1CDR 187
+HET NAG 78 26 N-ACETYL-D-GLUCOSAMINE 1CDR 188
+HET NAG 79 28 N-ACETYL-D-GLUCOSAMINE 1CDR 189
+HET FUC 80 21 FUCOSE 1CDR 190
+FORMUL 2 NAG 2(C8 H15 N1 O6) 1CDR 191
+FORMUL 3 FUC C6 H12 O6 1CDR 192
+HELIX 1 H1 PHE 47 GLU 56 1 IRREGULAR H-BONDS AT C-T END 1CDR 193
+SHEET 1 S1 2 LEU 1 CYS 6 0 1CDR 194
+SHEET 2 S1 2 THR 15 CYS 19 -1 O VAL 17 N CYS 3 1CDR 195
+SHEET 1 S2 3 GLN 34 TRP 40 0 1CDR 196
+SHEET 2 S2 3 ALA 25 ALA 31 -1 N ALA 25 O TRP 40 1CDR 197
+SHEET 3 S2 3 LEU 59 LYS 65 -1 N CYS 64 O CYS 26 1CDR 198
+SSBOND 1 CYS 3 CYS 26 1CDR 199
+SSBOND 2 CYS 6 CYS 13 1CDR 200
+SSBOND 3 CYS 19 CYS 39 1CDR 201
+SSBOND 4 CYS 45 CYS 63 1CDR 202
+SSBOND 5 CYS 64 CYS 69 1CDR 203
+CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 1CDR 204
+ORIGX1 1.000000 0.000000 0.000000 0.00000 1CDR 205
+ORIGX2 0.000000 1.000000 0.000000 0.00000 1CDR 206
+ORIGX3 0.000000 0.000000 1.000000 0.00000 1CDR 207
+SCALE1 1.000000 0.000000 0.000000 0.00000 1CDR 208
+SCALE2 0.000000 1.000000 0.000000 0.00000 1CDR 209
+SCALE3 0.000000 0.000000 1.000000 0.00000 1CDR 210
+MODEL 1 1CDR 211
+ATOM 1 N LEU 1 2.933 -11.256 -5.208 1.00 0.00 1CDR 212
+ATOM 2 CA LEU 1 3.708 -10.149 -5.838 1.00 0.00 1CDR 213
+ATOM 3 C LEU 1 4.537 -9.431 -4.771 1.00 0.00 1CDR 214
+ATOM 4 O LEU 1 4.032 -9.029 -3.742 1.00 0.00 1CDR 215
+ATOM 5 CB LEU 1 2.743 -9.157 -6.490 1.00 0.00 1CDR 216
+ATOM 6 CG LEU 1 2.962 -9.151 -8.005 1.00 0.00 1CDR 217
+ATOM 7 CD1 LEU 1 2.307 -10.388 -8.621 1.00 0.00 1CDR 218
+ATOM 8 CD2 LEU 1 2.335 -7.891 -8.604 1.00 0.00 1CDR 219
+ATOM 9 1H LEU 1 3.108 -11.262 -4.182 1.00 0.00 1CDR 220
+ATOM 10 2H LEU 1 1.917 -11.113 -5.386 1.00 0.00 1CDR 221
+ATOM 11 3H LEU 1 3.232 -12.165 -5.613 1.00 0.00 1CDR 222
+ATOM 12 HA LEU 1 4.368 -10.555 -6.590 1.00 0.00 1CDR 223
+ATOM 13 1HB LEU 1 1.725 -9.449 -6.274 1.00 0.00 1CDR 224
+ATOM 14 2HB LEU 1 2.923 -8.167 -6.099 1.00 0.00 1CDR 225
+ATOM 15 HG LEU 1 4.022 -9.163 -8.215 1.00 0.00 1CDR 226
+ATOM 16 1HD1 LEU 1 2.147 -11.131 -7.855 1.00 0.00 1CDR 227
+ATOM 17 2HD1 LEU 1 1.359 -10.113 -9.060 1.00 0.00 1CDR 228
+ATOM 18 3HD1 LEU 1 2.953 -10.793 -9.386 1.00 0.00 1CDR 229
+ATOM 19 1HD2 LEU 1 2.088 -7.199 -7.812 1.00 0.00 1CDR 230
+ATOM 20 2HD2 LEU 1 3.036 -7.427 -9.282 1.00 0.00 1CDR 231
+ATOM 21 3HD2 LEU 1 1.436 -8.156 -9.142 1.00 0.00 1CDR 232
+ATOM 22 N GLN 2 5.809 -9.265 -5.011 1.00 0.00 1CDR 233
+ATOM 23 CA GLN 2 6.678 -8.573 -4.017 1.00 0.00 1CDR 234
+ATOM 24 C GLN 2 6.733 -7.082 -4.349 1.00 0.00 1CDR 235
+ATOM 25 O GLN 2 7.262 -6.690 -5.366 1.00 0.00 1CDR 236
+ATOM 26 CB GLN 2 8.088 -9.157 -4.092 1.00 0.00 1CDR 237
+ATOM 27 CG GLN 2 8.023 -10.677 -3.929 1.00 0.00 1CDR 238
+ATOM 28 CD GLN 2 9.406 -11.279 -4.189 1.00 0.00 1CDR 239
+ATOM 29 OE1 GLN 2 9.565 -12.110 -5.062 1.00 0.00 1CDR 240
+ATOM 30 NE2 GLN 2 10.420 -10.894 -3.464 1.00 0.00 1CDR 241
+ATOM 31 H GLN 2 6.194 -9.597 -5.849 1.00 0.00 1CDR 242
+ATOM 32 HA GLN 2 6.279 -8.711 -3.024 1.00 0.00 1CDR 243
+ATOM 33 1HB GLN 2 8.524 -8.916 -5.053 1.00 0.00 1CDR 244
+ATOM 34 2HB GLN 2 8.695 -8.736 -3.306 1.00 0.00 1CDR 245
+ATOM 35 1HG GLN 2 7.708 -10.918 -2.924 1.00 0.00 1CDR 246
+ATOM 36 2HG GLN 2 7.316 -11.085 -4.635 1.00 0.00 1CDR 247
+ATOM 37 1HE2 GLN 2 11.309 -11.273 -3.624 1.00 0.00 1CDR 248
+ATOM 38 2HE2 GLN 2 10.292 -10.224 -2.761 1.00 0.00 1CDR 249
+ATOM 39 N CYS 3 6.196 -6.245 -3.506 1.00 0.00 1CDR 250
+ATOM 40 CA CYS 3 6.230 -4.784 -3.803 1.00 0.00 1CDR 251
+ATOM 41 C CYS 3 6.626 -3.999 -2.554 1.00 0.00 1CDR 252
+ATOM 42 O CYS 3 6.649 -4.522 -1.458 1.00 0.00 1CDR 253
+ATOM 43 CB CYS 3 4.853 -4.328 -4.281 1.00 0.00 1CDR 254
+ATOM 44 SG CYS 3 4.765 -4.473 -6.082 1.00 0.00 1CDR 255
+ATOM 45 H CYS 3 5.773 -6.573 -2.684 1.00 0.00 1CDR 256
+ATOM 46 HA CYS 3 6.950 -4.598 -4.583 1.00 0.00 1CDR 257
+ATOM 47 1HB CYS 3 4.096 -4.948 -3.831 1.00 0.00 1CDR 258
+ATOM 48 2HB CYS 3 4.694 -3.298 -3.994 1.00 0.00 1CDR 259
+ATOM 49 N TYR 4 6.938 -2.741 -2.716 1.00 0.00 1CDR 260
+ATOM 50 CA TYR 4 7.336 -1.910 -1.547 1.00 0.00 1CDR 261
+ATOM 51 C TYR 4 6.088 -1.469 -0.782 1.00 0.00 1CDR 262
+ATOM 52 O TYR 4 5.185 -0.874 -1.335 1.00 0.00 1CDR 263
+ATOM 53 CB TYR 4 8.095 -0.672 -2.033 1.00 0.00 1CDR 264
+ATOM 54 CG TYR 4 9.130 -1.080 -3.053 1.00 0.00 1CDR 265
+ATOM 55 CD1 TYR 4 8.780 -1.173 -4.405 1.00 0.00 1CDR 266
+ATOM 56 CD2 TYR 4 10.439 -1.364 -2.647 1.00 0.00 1CDR 267
+ATOM 57 CE1 TYR 4 9.739 -1.550 -5.352 1.00 0.00 1CDR 268
+ATOM 58 CE2 TYR 4 11.399 -1.741 -3.594 1.00 0.00 1CDR 269
+ATOM 59 CZ TYR 4 11.049 -1.833 -4.947 1.00 0.00 1CDR 270
+ATOM 60 OH TYR 4 11.995 -2.204 -5.881 1.00 0.00 1CDR 271
+ATOM 61 H TYR 4 6.912 -2.344 -3.612 1.00 0.00 1CDR 272
+ATOM 62 HA TYR 4 7.973 -2.488 -0.895 1.00 0.00 1CDR 273
+ATOM 63 1HB TYR 4 7.400 0.022 -2.482 1.00 0.00 1CDR 274
+ATOM 64 2HB TYR 4 8.585 -0.199 -1.195 1.00 0.00 1CDR 275
+ATOM 65 HD1 TYR 4 7.769 -0.954 -4.718 1.00 0.00 1CDR 276
+ATOM 66 HD2 TYR 4 10.708 -1.292 -1.604 1.00 0.00 1CDR 277
+ATOM 67 HE1 TYR 4 9.469 -1.621 -6.395 1.00 0.00 1CDR 278
+ATOM 68 HE2 TYR 4 12.410 -1.959 -3.281 1.00 0.00 1CDR 279
+ATOM 69 HH TYR 4 11.881 -3.139 -6.064 1.00 0.00 1CDR 280
+ATOM 70 N ASN 5 6.036 -1.751 0.489 1.00 0.00 1CDR 281
+ATOM 71 CA ASN 5 4.854 -1.346 1.298 1.00 0.00 1CDR 282
+ATOM 72 C ASN 5 5.309 -0.384 2.397 1.00 0.00 1CDR 283
+ATOM 73 O ASN 5 6.040 -0.754 3.294 1.00 0.00 1CDR 284
+ATOM 74 CB ASN 5 4.217 -2.585 1.930 1.00 0.00 1CDR 285
+ATOM 75 CG ASN 5 2.772 -2.274 2.324 1.00 0.00 1CDR 286
+ATOM 76 OD1 ASN 5 2.530 -1.542 3.263 1.00 0.00 1CDR 287
+ATOM 77 ND2 ASN 5 1.794 -2.802 1.640 1.00 0.00 1CDR 288
+ATOM 78 H ASN 5 6.778 -2.226 0.915 1.00 0.00 1CDR 289
+ATOM 79 HA ASN 5 4.133 -0.852 0.662 1.00 0.00 1CDR 290
+ATOM 80 1HB ASN 5 4.231 -3.399 1.219 1.00 0.00 1CDR 291
+ATOM 81 2HB ASN 5 4.775 -2.867 2.811 1.00 0.00 1CDR 292
+ATOM 82 1HD2 ASN 5 0.865 -2.608 1.884 1.00 0.00 1CDR 293
+ATOM 83 2HD2 ASN 5 1.988 -3.392 0.882 1.00 0.00 1CDR 294
+ATOM 84 N CYS 6 4.893 0.851 2.330 1.00 0.00 1CDR 295
+ATOM 85 CA CYS 6 5.313 1.837 3.365 1.00 0.00 1CDR 296
+ATOM 86 C CYS 6 4.200 2.004 4.406 1.00 0.00 1CDR 297
+ATOM 87 O CYS 6 3.036 1.831 4.101 1.00 0.00 1CDR 298
+ATOM 88 CB CYS 6 5.588 3.185 2.698 1.00 0.00 1CDR 299
+ATOM 89 SG CYS 6 7.374 3.415 2.510 1.00 0.00 1CDR 300
+ATOM 90 H CYS 6 4.309 1.132 1.595 1.00 0.00 1CDR 301
+ATOM 91 HA CYS 6 6.211 1.487 3.853 1.00 0.00 1CDR 302
+ATOM 92 1HB CYS 6 5.119 3.207 1.725 1.00 0.00 1CDR 303
+ATOM 93 2HB CYS 6 5.186 3.979 3.310 1.00 0.00 1CDR 304
+ATOM 94 N PRO 7 4.596 2.339 5.607 1.00 0.00 1CDR 305
+ATOM 95 CA PRO 7 3.661 2.546 6.728 1.00 0.00 1CDR 306
+ATOM 96 C PRO 7 2.995 3.921 6.620 1.00 0.00 1CDR 307
+ATOM 97 O PRO 7 2.096 4.247 7.370 1.00 0.00 1CDR 308
+ATOM 98 CB PRO 7 4.561 2.473 7.964 1.00 0.00 1CDR 309
+ATOM 99 CG PRO 7 5.994 2.801 7.480 1.00 0.00 1CDR 310
+ATOM 100 CD PRO 7 6.017 2.541 5.961 1.00 0.00 1CDR 311
+ATOM 101 HA PRO 7 2.921 1.761 6.761 1.00 0.00 1CDR 312
+ATOM 102 1HB PRO 7 4.238 3.199 8.699 1.00 0.00 1CDR 313
+ATOM 103 2HB PRO 7 4.538 1.480 8.385 1.00 0.00 1CDR 314
+ATOM 104 1HG PRO 7 6.224 3.838 7.685 1.00 0.00 1CDR 315
+ATOM 105 2HG PRO 7 6.707 2.157 7.970 1.00 0.00 1CDR 316
+ATOM 106 1HD PRO 7 6.423 3.396 5.439 1.00 0.00 1CDR 317
+ATOM 107 2HD PRO 7 6.586 1.652 5.738 1.00 0.00 1CDR 318
+ATOM 108 N ASN 8 3.430 4.730 5.693 1.00 0.00 1CDR 319
+ATOM 109 CA ASN 8 2.824 6.083 5.538 1.00 0.00 1CDR 320
+ATOM 110 C ASN 8 2.888 6.509 4.070 1.00 0.00 1CDR 321
+ATOM 111 O ASN 8 3.616 5.929 3.289 1.00 0.00 1CDR 322
+ATOM 112 CB ASN 8 3.595 7.087 6.399 1.00 0.00 1CDR 323
+ATOM 113 CG ASN 8 2.755 7.460 7.622 1.00 0.00 1CDR 324
+ATOM 114 OD1 ASN 8 1.586 7.140 7.692 1.00 0.00 1CDR 325
+ATOM 115 ND2 ASN 8 3.306 8.129 8.598 1.00 0.00 1CDR 326
+ATOM 116 H ASN 8 4.158 4.449 5.098 1.00 0.00 1CDR 327
+ATOM 117 HA ASN 8 1.795 6.053 5.856 1.00 0.00 1CDR 328
+ATOM 118 1HB ASN 8 4.525 6.644 6.722 1.00 0.00 1CDR 329
+ATOM 119 2HB ASN 8 3.800 7.975 5.821 1.00 0.00 1CDR 330
+ATOM 120 1HD2 ASN 8 2.777 8.374 9.386 1.00 0.00 1CDR 331
+ATOM 121 2HD2 ASN 8 4.251 8.387 8.543 1.00 0.00 1CDR 332
+ATOM 122 N PRO 9 2.117 7.513 3.739 1.00 0.00 1CDR 333
+ATOM 123 CA PRO 9 2.055 8.045 2.368 1.00 0.00 1CDR 334
+ATOM 124 C PRO 9 3.277 8.912 2.074 1.00 0.00 1CDR 335
+ATOM 125 O PRO 9 3.228 10.124 2.139 1.00 0.00 1CDR 336
+ATOM 126 CB PRO 9 0.771 8.878 2.361 1.00 0.00 1CDR 337
+ATOM 127 CG PRO 9 0.479 9.240 3.838 1.00 0.00 1CDR 338
+ATOM 128 CD PRO 9 1.237 8.212 4.700 1.00 0.00 1CDR 339
+ATOM 129 HA PRO 9 1.983 7.243 1.652 1.00 0.00 1CDR 340
+ATOM 130 1HB PRO 9 0.916 9.776 1.775 1.00 0.00 1CDR 341
+ATOM 131 2HB PRO 9 -0.046 8.300 1.961 1.00 0.00 1CDR 342
+ATOM 132 1HG PRO 9 0.836 10.240 4.050 1.00 0.00 1CDR 343
+ATOM 133 2HG PRO 9 -0.579 9.173 4.035 1.00 0.00 1CDR 344
+ATOM 134 1HD PRO 9 1.822 8.713 5.458 1.00 0.00 1CDR 345
+ATOM 135 2HD PRO 9 0.548 7.513 5.149 1.00 0.00 1CDR 346
+ATOM 136 N THR 10 4.370 8.290 1.748 1.00 0.00 1CDR 347
+ATOM 137 CA THR 10 5.608 9.062 1.441 1.00 0.00 1CDR 348
+ATOM 138 C THR 10 5.804 9.118 -0.076 1.00 0.00 1CDR 349
+ATOM 139 O THR 10 5.106 8.465 -0.826 1.00 0.00 1CDR 350
+ATOM 140 CB THR 10 6.815 8.377 2.089 1.00 0.00 1CDR 351
+ATOM 141 OG1 THR 10 7.976 9.170 1.880 1.00 0.00 1CDR 352
+ATOM 142 CG2 THR 10 7.019 6.996 1.464 1.00 0.00 1CDR 353
+ATOM 143 H THR 10 4.375 7.311 1.703 1.00 0.00 1CDR 354
+ATOM 144 HA THR 10 5.512 10.065 1.829 1.00 0.00 1CDR 355
+ATOM 145 HB THR 10 6.640 8.265 3.147 1.00 0.00 1CDR 356
+ATOM 146 HG1 THR 10 8.568 9.031 2.623 1.00 0.00 1CDR 357
+ATOM 147 1HG2 THR 10 6.587 6.981 0.474 1.00 0.00 1CDR 358
+ATOM 148 2HG2 THR 10 8.076 6.782 1.398 1.00 0.00 1CDR 359
+ATOM 149 3HG2 THR 10 6.538 6.248 2.077 1.00 0.00 1CDR 360
+ATOM 150 N ALA 11 6.749 9.892 -0.536 1.00 0.00 1CDR 361
+ATOM 151 CA ALA 11 6.986 9.983 -2.004 1.00 0.00 1CDR 362
+ATOM 152 C ALA 11 8.367 9.418 -2.335 1.00 0.00 1CDR 363
+ATOM 153 O ALA 11 9.060 9.911 -3.203 1.00 0.00 1CDR 364
+ATOM 154 CB ALA 11 6.915 11.447 -2.443 1.00 0.00 1CDR 365
+ATOM 155 H ALA 11 7.304 10.410 0.084 1.00 0.00 1CDR 366
+ATOM 156 HA ALA 11 6.230 9.415 -2.526 1.00 0.00 1CDR 367
+ATOM 157 1HB ALA 11 7.662 12.019 -1.912 1.00 0.00 1CDR 368
+ATOM 158 2HB ALA 11 7.100 11.513 -3.505 1.00 0.00 1CDR 369
+ATOM 159 3HB ALA 11 5.935 11.843 -2.222 1.00 0.00 1CDR 370
+ATOM 160 N ASP 12 8.774 8.386 -1.648 1.00 0.00 1CDR 371
+ATOM 161 CA ASP 12 10.110 7.787 -1.922 1.00 0.00 1CDR 372
+ATOM 162 C ASP 12 10.250 6.484 -1.130 1.00 0.00 1CDR 373
+ATOM 163 O ASP 12 11.278 6.208 -0.544 1.00 0.00 1CDR 374
+ATOM 164 CB ASP 12 11.204 8.767 -1.497 1.00 0.00 1CDR 375
+ATOM 165 CG ASP 12 11.600 9.638 -2.690 1.00 0.00 1CDR 376
+ATOM 166 OD1 ASP 12 11.761 9.092 -3.769 1.00 0.00 1CDR 377
+ATOM 167 OD2 ASP 12 11.734 10.837 -2.506 1.00 0.00 1CDR 378
+ATOM 168 H ASP 12 8.198 8.005 -0.952 1.00 0.00 1CDR 379
+ATOM 169 HA ASP 12 10.202 7.578 -2.978 1.00 0.00 1CDR 380
+ATOM 170 1HB ASP 12 10.833 9.395 -0.699 1.00 0.00 1CDR 381
+ATOM 171 2HB ASP 12 12.067 8.217 -1.153 1.00 0.00 1CDR 382
+ATOM 172 N CYS 13 9.219 5.684 -1.109 1.00 0.00 1CDR 383
+ATOM 173 CA CYS 13 9.284 4.400 -0.357 1.00 0.00 1CDR 384
+ATOM 174 C CYS 13 10.373 3.507 -0.955 1.00 0.00 1CDR 385
+ATOM 175 O CYS 13 10.521 3.410 -2.157 1.00 0.00 1CDR 386
+ATOM 176 CB CYS 13 7.933 3.688 -0.453 1.00 0.00 1CDR 387
+ATOM 177 SG CYS 13 7.831 2.405 0.820 1.00 0.00 1CDR 388
+ATOM 178 H CYS 13 8.401 5.929 -1.588 1.00 0.00 1CDR 389
+ATOM 179 HA CYS 13 9.511 4.600 0.679 1.00 0.00 1CDR 390
+ATOM 180 1HB CYS 13 7.137 4.404 -0.306 1.00 0.00 1CDR 391
+ATOM 181 2HB CYS 13 7.834 3.235 -1.429 1.00 0.00 1CDR 392
+ATOM 182 N LYS 14 11.134 2.851 -0.122 1.00 0.00 1CDR 393
+ATOM 183 CA LYS 14 12.212 1.961 -0.638 1.00 0.00 1CDR 394
+ATOM 184 C LYS 14 12.272 0.693 0.217 1.00 0.00 1CDR 395
+ATOM 185 O LYS 14 13.299 0.053 0.327 1.00 0.00 1CDR 396
+ATOM 186 CB LYS 14 13.554 2.691 -0.570 1.00 0.00 1CDR 397
+ATOM 187 CG LYS 14 14.215 2.670 -1.949 1.00 0.00 1CDR 398
+ATOM 188 CD LYS 14 14.985 3.973 -2.171 1.00 0.00 1CDR 399
+ATOM 189 CE LYS 14 16.356 3.661 -2.770 1.00 0.00 1CDR 400
+ATOM 190 NZ LYS 14 16.926 4.896 -3.378 1.00 0.00 1CDR 401
+ATOM 191 H LYS 14 10.995 2.942 0.843 1.00 0.00 1CDR 402
+ATOM 192 HA LYS 14 11.999 1.694 -1.663 1.00 0.00 1CDR 403
+ATOM 193 1HB LYS 14 13.393 3.715 -0.263 1.00 0.00 1CDR 404
+ATOM 194 2HB LYS 14 14.198 2.198 0.144 1.00 0.00 1CDR 405
+ATOM 195 1HG LYS 14 14.897 1.833 -2.008 1.00 0.00 1CDR 406
+ATOM 196 2HG LYS 14 13.455 2.568 -2.710 1.00 0.00 1CDR 407
+ATOM 197 1HD LYS 14 14.430 4.606 -2.850 1.00 0.00 1CDR 408
+ATOM 198 2HD LYS 14 15.112 4.481 -1.228 1.00 0.00 1CDR 409
+ATOM 199 1HE LYS 14 17.016 3.305 -1.992 1.00 0.00 1CDR 410
+ATOM 200 2HE LYS 14 16.254 2.900 -3.529 1.00 0.00 1CDR 411
+ATOM 201 1HZ LYS 14 16.870 5.677 -2.692 1.00 0.00 1CDR 412
+ATOM 202 2HZ LYS 14 17.920 4.729 -3.635 1.00 0.00 1CDR 413
+ATOM 203 3HZ LYS 14 16.387 5.143 -4.231 1.00 0.00 1CDR 414
+ATOM 204 N THR 15 11.176 0.325 0.823 1.00 0.00 1CDR 415
+ATOM 205 CA THR 15 11.164 -0.901 1.670 1.00 0.00 1CDR 416
+ATOM 206 C THR 15 10.493 -2.041 0.902 1.00 0.00 1CDR 417
+ATOM 207 O THR 15 9.284 -2.130 0.836 1.00 0.00 1CDR 418
+ATOM 208 CB THR 15 10.384 -0.621 2.957 1.00 0.00 1CDR 419
+ATOM 209 OG1 THR 15 10.437 -1.764 3.799 1.00 0.00 1CDR 420
+ATOM 210 CG2 THR 15 8.928 -0.303 2.615 1.00 0.00 1CDR 421
+ATOM 211 H THR 15 10.359 0.856 0.720 1.00 0.00 1CDR 422
+ATOM 212 HA THR 15 12.179 -1.179 1.916 1.00 0.00 1CDR 423
+ATOM 213 HB THR 15 10.822 0.223 3.468 1.00 0.00 1CDR 424
+ATOM 214 HG1 THR 15 10.503 -1.460 4.707 1.00 0.00 1CDR 425
+ATOM 215 1HG2 THR 15 8.866 0.058 1.600 1.00 0.00 1CDR 426
+ATOM 216 2HG2 THR 15 8.331 -1.198 2.717 1.00 0.00 1CDR 427
+ATOM 217 3HG2 THR 15 8.556 0.454 3.290 1.00 0.00 1CDR 428
+ATOM 218 N ALA 16 11.268 -2.913 0.316 1.00 0.00 1CDR 429
+ATOM 219 CA ALA 16 10.674 -4.043 -0.452 1.00 0.00 1CDR 430
+ATOM 220 C ALA 16 10.098 -5.081 0.516 1.00 0.00 1CDR 431
+ATOM 221 O ALA 16 10.736 -5.473 1.472 1.00 0.00 1CDR 432
+ATOM 222 CB ALA 16 11.754 -4.697 -1.316 1.00 0.00 1CDR 433
+ATOM 223 H ALA 16 12.243 -2.822 0.379 1.00 0.00 1CDR 434
+ATOM 224 HA ALA 16 9.884 -3.669 -1.087 1.00 0.00 1CDR 435
+ATOM 225 1HB ALA 16 12.337 -3.930 -1.804 1.00 0.00 1CDR 436
+ATOM 226 2HB ALA 16 12.399 -5.298 -0.693 1.00 0.00 1CDR 437
+ATOM 227 3HB ALA 16 11.288 -5.324 -2.062 1.00 0.00 1CDR 438
+ATOM 228 N VAL 17 8.896 -5.529 0.271 1.00 0.00 1CDR 439
+ATOM 229 CA VAL 17 8.278 -6.543 1.171 1.00 0.00 1CDR 440
+ATOM 230 C VAL 17 7.215 -7.328 0.400 1.00 0.00 1CDR 441
+ATOM 231 O VAL 17 6.571 -6.810 -0.494 1.00 0.00 1CDR 442
+ATOM 232 CB VAL 17 7.628 -5.842 2.365 1.00 0.00 1CDR 443
+ATOM 233 CG1 VAL 17 6.644 -4.787 1.861 1.00 0.00 1CDR 444
+ATOM 234 CG2 VAL 17 6.880 -6.871 3.216 1.00 0.00 1CDR 445
+ATOM 235 H VAL 17 8.401 -5.199 -0.508 1.00 0.00 1CDR 446
+ATOM 236 HA VAL 17 9.039 -7.222 1.525 1.00 0.00 1CDR 447
+ATOM 237 HB VAL 17 8.392 -5.364 2.963 1.00 0.00 1CDR 448
+ATOM 238 1HG1 VAL 17 6.033 -5.210 1.077 1.00 0.00 1CDR 449
+ATOM 239 2HG1 VAL 17 6.013 -4.464 2.676 1.00 0.00 1CDR 450
+ATOM 240 3HG1 VAL 17 7.192 -3.942 1.473 1.00 0.00 1CDR 451
+ATOM 241 1HG2 VAL 17 7.302 -7.850 3.050 1.00 0.00 1CDR 452
+ATOM 242 2HG2 VAL 17 6.973 -6.611 4.261 1.00 0.00 1CDR 453
+ATOM 243 3HG2 VAL 17 5.836 -6.877 2.939 1.00 0.00 1CDR 454
+ATOM 244 N ASN 18 7.024 -8.573 0.739 1.00 0.00 1 1CDR 455
+ATOM 245 CA ASN 18 6.001 -9.391 0.028 1.00 0.00 1 1CDR 456
+ATOM 246 C ASN 18 4.623 -8.754 0.223 1.00 0.00 1 1CDR 457
+ATOM 247 O ASN 18 4.365 -8.103 1.217 1.00 0.00 1 1CDR 458
+ATOM 248 CB ASN 18 5.991 -10.808 0.606 1.00 0.00 1 1CDR 459
+ATOM 249 CG ASN 18 7.076 -11.651 -0.070 1.00 0.00 1 1CDR 460
+ATOM 250 OD1 ASN 18 6.884 -12.179 -1.147 1.00 0.00 1 1CDR 461
+ATOM 251 ND2 ASN 18 8.213 -11.780 0.556 1.00 0.00 1 1CDR 462
+ATOM 252 H ASN 18 7.553 -8.971 1.462 1.00 0.00 1 1CDR 463
+ATOM 253 HA ASN 18 6.236 -9.431 -1.025 1.00 0.00 1 1CDR 464
+ATOM 254 1HB ASN 18 6.181 -10.763 1.669 1.00 0.00 1 1CDR 465
+ATOM 255 2HB ASN 18 5.026 -11.261 0.433 1.00 0.00 1 1CDR 466
+ATOM 256 HD2 ASN 18 8.349 -11.340 1.421 1.00 0.00 1 1CDR 467
+ATOM 257 N CYS 19 3.734 -8.933 -0.715 1.00 0.00 1CDR 468
+ATOM 258 CA CYS 19 2.376 -8.335 -0.578 1.00 0.00 1CDR 469
+ATOM 259 C CYS 19 1.497 -9.249 0.278 1.00 0.00 1CDR 470
+ATOM 260 O CYS 19 1.567 -10.458 0.186 1.00 0.00 1CDR 471
+ATOM 261 CB CYS 19 1.746 -8.173 -1.962 1.00 0.00 1CDR 472
+ATOM 262 SG CYS 19 1.908 -6.453 -2.498 1.00 0.00 1CDR 473
+ATOM 263 H CYS 19 3.960 -9.461 -1.509 1.00 0.00 1CDR 474
+ATOM 264 HA CYS 19 2.456 -7.367 -0.104 1.00 0.00 1CDR 475
+ATOM 265 1HB CYS 19 2.249 -8.819 -2.666 1.00 0.00 1CDR 476
+ATOM 266 2HB CYS 19 0.699 -8.438 -1.915 1.00 0.00 1CDR 477
+ATOM 267 N SER 20 0.668 -8.680 1.109 1.00 0.00 1CDR 478
+ATOM 268 CA SER 20 -0.215 -9.516 1.969 1.00 0.00 1CDR 479
+ATOM 269 C SER 20 -0.956 -10.533 1.100 1.00 0.00 1CDR 480
+ATOM 270 O SER 20 -0.751 -10.610 -0.095 1.00 0.00 1CDR 481
+ATOM 271 CB SER 20 -1.229 -8.619 2.681 1.00 0.00 1CDR 482
+ATOM 272 OG SER 20 -1.275 -8.965 4.058 1.00 0.00 1CDR 483
+ATOM 273 H SER 20 0.626 -7.702 1.168 1.00 0.00 1CDR 484
+ATOM 274 HA SER 20 0.383 -10.037 2.702 1.00 0.00 1CDR 485
+ATOM 275 1HB SER 20 -0.932 -7.589 2.584 1.00 0.00 1CDR 486
+ATOM 276 2HB SER 20 -2.205 -8.754 2.232 1.00 0.00 1CDR 487
+ATOM 277 HG SER 20 -1.848 -8.336 4.503 1.00 0.00 1CDR 488
+ATOM 278 N SER 21 -1.817 -11.315 1.690 1.00 0.00 1CDR 489
+ATOM 279 CA SER 21 -2.571 -12.327 0.898 1.00 0.00 1CDR 490
+ATOM 280 C SER 21 -3.705 -11.636 0.140 1.00 0.00 1CDR 491
+ATOM 281 O SER 21 -3.942 -10.455 0.299 1.00 0.00 1CDR 492
+ATOM 282 CB SER 21 -3.155 -13.377 1.842 1.00 0.00 1CDR 493
+ATOM 283 OG SER 21 -2.102 -13.986 2.578 1.00 0.00 1CDR 494
+ATOM 284 H SER 21 -1.968 -11.237 2.655 1.00 0.00 1CDR 495
+ATOM 285 HA SER 21 -1.904 -12.804 0.195 1.00 0.00 1CDR 496
+ATOM 286 1HB SER 21 -3.842 -12.907 2.527 1.00 0.00 1CDR 497
+ATOM 287 2HB SER 21 -3.685 -14.124 1.264 1.00 0.00 1CDR 498
+ATOM 288 HG SER 21 -2.154 -14.935 2.440 1.00 0.00 1CDR 499
+ATOM 289 N ASP 22 -4.411 -12.364 -0.683 1.00 0.00 1CDR 500
+ATOM 290 CA ASP 22 -5.530 -11.747 -1.447 1.00 0.00 1CDR 501
+ATOM 291 C ASP 22 -5.019 -10.518 -2.199 1.00 0.00 1CDR 502
+ATOM 292 O ASP 22 -5.728 -9.550 -2.385 1.00 0.00 1CDR 503
+ATOM 293 CB ASP 22 -6.640 -11.335 -0.479 1.00 0.00 1CDR 504
+ATOM 294 CG ASP 22 -7.317 -12.588 0.080 1.00 0.00 1CDR 505
+ATOM 295 OD1 ASP 22 -6.610 -13.441 0.591 1.00 0.00 1CDR 506
+ATOM 296 OD2 ASP 22 -8.531 -12.676 -0.015 1.00 0.00 1CDR 507
+ATOM 297 H ASP 22 -4.205 -13.315 -0.796 1.00 0.00 1CDR 508
+ATOM 298 HA ASP 22 -5.919 -12.465 -2.155 1.00 0.00 1CDR 509
+ATOM 299 1HB ASP 22 -6.215 -10.762 0.332 1.00 0.00 1CDR 510
+ATOM 300 2HB ASP 22 -7.372 -10.737 -1.000 1.00 0.00 1CDR 511
+ATOM 301 N PHE 23 -3.790 -10.554 -2.635 1.00 0.00 1CDR 512
+ATOM 302 CA PHE 23 -3.224 -9.394 -3.380 1.00 0.00 1CDR 513
+ATOM 303 C PHE 23 -2.445 -9.907 -4.591 1.00 0.00 1CDR 514
+ATOM 304 O PHE 23 -1.457 -10.601 -4.456 1.00 0.00 1CDR 515
+ATOM 305 CB PHE 23 -2.280 -8.608 -2.467 1.00 0.00 1CDR 516
+ATOM 306 CG PHE 23 -3.085 -7.813 -1.468 1.00 0.00 1CDR 517
+ATOM 307 CD1 PHE 23 -4.081 -6.935 -1.911 1.00 0.00 1CDR 518
+ATOM 308 CD2 PHE 23 -2.832 -7.952 -0.098 1.00 0.00 1CDR 519
+ATOM 309 CE1 PHE 23 -4.825 -6.196 -0.984 1.00 0.00 1CDR 520
+ATOM 310 CE2 PHE 23 -3.576 -7.213 0.829 1.00 0.00 1CDR 521
+ATOM 311 CZ PHE 23 -4.572 -6.334 0.387 1.00 0.00 1CDR 522
+ATOM 312 H PHE 23 -3.240 -11.348 -2.475 1.00 0.00 1CDR 523
+ATOM 313 HA PHE 23 -4.025 -8.750 -3.711 1.00 0.00 1CDR 524
+ATOM 314 1HB PHE 23 -1.633 -9.296 -1.941 1.00 0.00 1CDR 525
+ATOM 315 2HB PHE 23 -1.682 -7.936 -3.061 1.00 0.00 1CDR 526
+ATOM 316 HD1 PHE 23 -4.277 -6.828 -2.968 1.00 0.00 1CDR 527
+ATOM 317 HD2 PHE 23 -2.064 -8.629 0.243 1.00 0.00 1CDR 528
+ATOM 318 HE1 PHE 23 -5.594 -5.518 -1.325 1.00 0.00 1CDR 529
+ATOM 319 HE2 PHE 23 -3.381 -7.319 1.886 1.00 0.00 1CDR 530
+ATOM 320 HZ PHE 23 -5.145 -5.764 1.102 1.00 0.00 1CDR 531
+ATOM 321 N ASP 24 -2.882 -9.578 -5.775 1.00 0.00 1CDR 532
+ATOM 322 CA ASP 24 -2.163 -10.055 -6.988 1.00 0.00 1CDR 533
+ATOM 323 C ASP 24 -1.828 -8.866 -7.892 1.00 0.00 1CDR 534
+ATOM 324 O ASP 24 -1.187 -9.016 -8.914 1.00 0.00 1CDR 535
+ATOM 325 CB ASP 24 -3.050 -11.040 -7.751 1.00 0.00 1CDR 536
+ATOM 326 CG ASP 24 -2.663 -12.472 -7.377 1.00 0.00 1CDR 537
+ATOM 327 OD1 ASP 24 -2.780 -12.811 -6.212 1.00 0.00 1CDR 538
+ATOM 328 OD2 ASP 24 -2.254 -13.204 -8.263 1.00 0.00 1CDR 539
+ATOM 329 H ASP 24 -3.683 -9.020 -5.865 1.00 0.00 1CDR 540
+ATOM 330 HA ASP 24 -1.250 -10.550 -6.692 1.00 0.00 1CDR 541
+ATOM 331 1HB ASP 24 -4.084 -10.866 -7.492 1.00 0.00 1CDR 542
+ATOM 332 2HB ASP 24 -2.914 -10.899 -8.812 1.00 0.00 1CDR 543
+ATOM 333 N ALA 25 -2.253 -7.687 -7.528 1.00 0.00 1CDR 544
+ATOM 334 CA ALA 25 -1.955 -6.497 -8.376 1.00 0.00 1CDR 545
+ATOM 335 C ALA 25 -1.330 -5.396 -7.518 1.00 0.00 1CDR 546
+ATOM 336 O ALA 25 -1.979 -4.815 -6.672 1.00 0.00 1CDR 547
+ATOM 337 CB ALA 25 -3.252 -5.976 -9.000 1.00 0.00 1CDR 548
+ATOM 338 H ALA 25 -2.770 -7.584 -6.702 1.00 0.00 1CDR 549
+ATOM 339 HA ALA 25 -1.266 -6.777 -9.160 1.00 0.00 1CDR 550
+ATOM 340 1HB ALA 25 -3.730 -6.769 -9.556 1.00 0.00 1CDR 551
+ATOM 341 2HB ALA 25 -3.915 -5.633 -8.219 1.00 0.00 1CDR 552
+ATOM 342 3HB ALA 25 -3.027 -5.156 -9.666 1.00 0.00 1CDR 553
+ATOM 343 N CYS 26 -0.082 -5.090 -7.737 1.00 0.00 1CDR 554
+ATOM 344 CA CYS 26 0.560 -4.010 -6.936 1.00 0.00 1CDR 555
+ATOM 345 C CYS 26 -0.129 -2.694 -7.280 1.00 0.00 1CDR 556
+ATOM 346 O CYS 26 -0.534 -2.478 -8.403 1.00 0.00 1CDR 557
+ATOM 347 CB CYS 26 2.046 -3.925 -7.282 1.00 0.00 1CDR 558
+ATOM 348 SG CYS 26 2.936 -5.252 -6.432 1.00 0.00 1CDR 559
+ATOM 349 H CYS 26 0.426 -5.556 -8.433 1.00 0.00 1CDR 560
+ATOM 350 HA CYS 26 0.438 -4.220 -5.883 1.00 0.00 1CDR 561
+ATOM 351 1HB CYS 26 2.175 -4.030 -8.349 1.00 0.00 1CDR 562
+ATOM 352 2HB CYS 26 2.435 -2.969 -6.964 1.00 0.00 1CDR 563
+ATOM 353 N LEU 27 -0.295 -1.820 -6.330 1.00 0.00 1CDR 564
+ATOM 354 CA LEU 27 -0.990 -0.542 -6.637 1.00 0.00 1CDR 565
+ATOM 355 C LEU 27 -0.090 0.656 -6.334 1.00 0.00 1CDR 566
+ATOM 356 O LEU 27 0.512 0.756 -5.283 1.00 0.00 1CDR 567
+ATOM 357 CB LEU 27 -2.262 -0.456 -5.795 1.00 0.00 1CDR 568
+ATOM 358 CG LEU 27 -2.918 0.912 -5.977 1.00 0.00 1CDR 569
+ATOM 359 CD1 LEU 27 -4.074 0.792 -6.971 1.00 0.00 1CDR 570
+ATOM 360 CD2 LEU 27 -3.447 1.400 -4.626 1.00 0.00 1CDR 571
+ATOM 361 H LEU 27 0.017 -2.010 -5.420 1.00 0.00 1CDR 572
+ATOM 362 HA LEU 27 -1.259 -0.528 -7.682 1.00 0.00 1CDR 573
+ATOM 363 1HB LEU 27 -2.949 -1.227 -6.111 1.00 0.00 1CDR 574
+ATOM 364 2HB LEU 27 -2.015 -0.600 -4.754 1.00 0.00 1CDR 575
+ATOM 365 HG LEU 27 -2.192 1.616 -6.357 1.00 0.00 1CDR 576
+ATOM 366 1HD1 LEU 27 -4.380 -0.241 -7.043 1.00 0.00 1CDR 577
+ATOM 367 2HD1 LEU 27 -4.905 1.391 -6.631 1.00 0.00 1CDR 578
+ATOM 368 3HD1 LEU 27 -3.752 1.140 -7.942 1.00 0.00 1CDR 579
+ATOM 369 1HD2 LEU 27 -3.074 0.759 -3.840 1.00 0.00 1CDR 580
+ATOM 370 2HD2 LEU 27 -3.113 2.412 -4.452 1.00 0.00 1CDR 581
+ATOM 371 3HD2 LEU 27 -4.526 1.373 -4.631 1.00 0.00 1CDR 582
+ATOM 372 N ILE 28 -0.019 1.577 -7.255 1.00 0.00 1CDR 583
+ATOM 373 CA ILE 28 0.808 2.797 -7.051 1.00 0.00 1CDR 584
+ATOM 374 C ILE 28 -0.074 4.019 -7.322 1.00 0.00 1CDR 585
+ATOM 375 O ILE 28 -0.239 4.439 -8.450 1.00 0.00 1CDR 586
+ATOM 376 CB ILE 28 1.996 2.781 -8.020 1.00 0.00 1CDR 587
+ATOM 377 CG1 ILE 28 2.595 4.186 -8.126 1.00 0.00 1CDR 588
+ATOM 378 CG2 ILE 28 1.521 2.328 -9.401 1.00 0.00 1CDR 589
+ATOM 379 CD1 ILE 28 3.167 4.601 -6.770 1.00 0.00 1CDR 590
+ATOM 380 H ILE 28 -0.530 1.472 -8.086 1.00 0.00 1CDR 591
+ATOM 381 HA ILE 28 1.167 2.827 -6.033 1.00 0.00 1CDR 592
+ATOM 382 HB ILE 28 2.745 2.094 -7.655 1.00 0.00 1CDR 593
+ATOM 383 1HG1 ILE 28 3.383 4.186 -8.865 1.00 0.00 1CDR 594
+ATOM 384 2HG1 ILE 28 1.826 4.884 -8.419 1.00 0.00 1CDR 595
+ATOM 385 1HG2 ILE 28 0.454 2.472 -9.480 1.00 0.00 1CDR 596
+ATOM 386 2HG2 ILE 28 2.021 2.909 -10.161 1.00 0.00 1CDR 597
+ATOM 387 3HG2 ILE 28 1.754 1.282 -9.536 1.00 0.00 1CDR 598
+ATOM 388 1HD1 ILE 28 2.864 3.888 -6.018 1.00 0.00 1CDR 599
+ATOM 389 2HD1 ILE 28 4.245 4.629 -6.828 1.00 0.00 1CDR 600
+ATOM 390 3HD1 ILE 28 2.795 5.581 -6.509 1.00 0.00 1CDR 601
+ATOM 391 N THR 29 -0.661 4.577 -6.299 1.00 0.00 1CDR 602
+ATOM 392 CA THR 29 -1.552 5.755 -6.501 1.00 0.00 1CDR 603
+ATOM 393 C THR 29 -0.771 7.053 -6.269 1.00 0.00 1CDR 604
+ATOM 394 O THR 29 0.140 7.110 -5.468 1.00 0.00 1CDR 605
+ATOM 395 CB THR 29 -2.725 5.673 -5.519 1.00 0.00 1CDR 606
+ATOM 396 OG1 THR 29 -3.614 4.647 -5.936 1.00 0.00 1CDR 607
+ATOM 397 CG2 THR 29 -3.468 7.009 -5.485 1.00 0.00 1CDR 608
+ATOM 398 H THR 29 -0.530 4.213 -5.400 1.00 0.00 1CDR 609
+ATOM 399 HA THR 29 -1.932 5.745 -7.512 1.00 0.00 1CDR 610
+ATOM 400 HB THR 29 -2.352 5.448 -4.533 1.00 0.00 1CDR 611
+ATOM 401 HG1 THR 29 -4.312 5.051 -6.455 1.00 0.00 1CDR 612
+ATOM 402 1HG2 THR 29 -3.277 7.551 -6.399 1.00 0.00 1CDR 613
+ATOM 403 2HG2 THR 29 -4.528 6.827 -5.389 1.00 0.00 1CDR 614
+ATOM 404 3HG2 THR 29 -3.125 7.590 -4.643 1.00 0.00 1CDR 615
+ATOM 405 N LYS 30 -1.131 8.095 -6.967 1.00 0.00 1CDR 616
+ATOM 406 CA LYS 30 -0.425 9.397 -6.798 1.00 0.00 1CDR 617
+ATOM 407 C LYS 30 -1.454 10.529 -6.824 1.00 0.00 1CDR 618
+ATOM 408 O LYS 30 -1.862 10.986 -7.874 1.00 0.00 1CDR 619
+ATOM 409 CB LYS 30 0.575 9.586 -7.941 1.00 0.00 1CDR 620
+ATOM 410 CG LYS 30 1.887 10.144 -7.387 1.00 0.00 1CDR 621
+ATOM 411 CD LYS 30 2.268 11.411 -8.156 1.00 0.00 1CDR 622
+ATOM 412 CE LYS 30 2.410 12.580 -7.180 1.00 0.00 1CDR 623
+ATOM 413 NZ LYS 30 2.892 13.784 -7.914 1.00 0.00 1CDR 624
+ATOM 414 H LYS 30 -1.871 8.023 -7.606 1.00 0.00 1CDR 625
+ATOM 415 HA LYS 30 0.099 9.404 -5.853 1.00 0.00 1CDR 626
+ATOM 416 1HB LYS 30 0.760 8.635 -8.419 1.00 0.00 1CDR 627
+ATOM 417 2HB LYS 30 0.170 10.279 -8.662 1.00 0.00 1CDR 628
+ATOM 418 1HG LYS 30 1.765 10.381 -6.340 1.00 0.00 1CDR 629
+ATOM 419 2HG LYS 30 2.668 9.407 -7.500 1.00 0.00 1CDR 630
+ATOM 420 1HD LYS 30 3.206 11.252 -8.668 1.00 0.00 1CDR 631
+ATOM 421 2HD LYS 30 1.498 11.639 -8.878 1.00 0.00 1CDR 632
+ATOM 422 1HE LYS 30 1.450 12.792 -6.732 1.00 0.00 1CDR 633
+ATOM 423 2HE LYS 30 3.117 12.320 -6.408 1.00 0.00 1CDR 634
+ATOM 424 1HZ LYS 30 3.559 13.494 -8.656 1.00 0.00 1CDR 635
+ATOM 425 2HZ LYS 30 2.082 14.274 -8.347 1.00 0.00 1CDR 636
+ATOM 426 3HZ LYS 30 3.372 14.425 -7.251 1.00 0.00 1CDR 637
+ATOM 427 N ALA 31 -1.885 10.980 -5.679 1.00 0.00 1CDR 638
+ATOM 428 CA ALA 31 -2.896 12.076 -5.641 1.00 0.00 1CDR 639
+ATOM 429 C ALA 31 -2.194 13.435 -5.716 1.00 0.00 1CDR 640
+ATOM 430 O ALA 31 -2.511 14.348 -4.981 1.00 0.00 1CDR 641
+ATOM 431 CB ALA 31 -3.694 11.985 -4.340 1.00 0.00 1CDR 642
+ATOM 432 H ALA 31 -1.550 10.595 -4.842 1.00 0.00 1CDR 643
+ATOM 433 HA ALA 31 -3.567 11.973 -6.481 1.00 0.00 1CDR 644
+ATOM 434 1HB ALA 31 -3.014 11.899 -3.505 1.00 0.00 1CDR 645
+ATOM 435 2HB ALA 31 -4.296 12.874 -4.223 1.00 0.00 1CDR 646
+ATOM 436 3HB ALA 31 -4.337 11.117 -4.372 1.00 0.00 1CDR 647
+ATOM 437 N GLY 32 -1.244 13.577 -6.599 1.00 0.00 1CDR 648
+ATOM 438 CA GLY 32 -0.526 14.879 -6.722 1.00 0.00 1CDR 649
+ATOM 439 C GLY 32 -0.207 15.424 -5.330 1.00 0.00 1CDR 650
+ATOM 440 O GLY 32 -0.671 16.478 -4.943 1.00 0.00 1CDR 651
+ATOM 441 H GLY 32 -1.005 12.828 -7.186 1.00 0.00 1CDR 652
+ATOM 442 1HA GLY 32 0.392 14.732 -7.272 1.00 0.00 1CDR 653
+ATOM 443 2HA GLY 32 -1.152 15.585 -7.248 1.00 0.00 1CDR 654
+ATOM 444 N LEU 33 0.582 14.714 -4.572 1.00 0.00 1CDR 655
+ATOM 445 CA LEU 33 0.931 15.191 -3.203 1.00 0.00 1CDR 656
+ATOM 446 C LEU 33 1.555 14.041 -2.410 1.00 0.00 1CDR 657
+ATOM 447 O LEU 33 2.566 14.203 -1.754 1.00 0.00 1CDR 658
+ATOM 448 CB LEU 33 -0.335 15.675 -2.492 1.00 0.00 1CDR 659
+ATOM 449 CG LEU 33 -0.306 17.200 -2.370 1.00 0.00 1CDR 660
+ATOM 450 CD1 LEU 33 -1.727 17.753 -2.509 1.00 0.00 1CDR 661
+ATOM 451 CD2 LEU 33 0.258 17.588 -1.001 1.00 0.00 1CDR 662
+ATOM 452 H LEU 33 0.945 13.866 -4.901 1.00 0.00 1CDR 663
+ATOM 453 HA LEU 33 1.637 16.006 -3.275 1.00 0.00 1CDR 664
+ATOM 454 1HB LEU 33 -1.204 15.375 -3.060 1.00 0.00 1CDR 665
+ATOM 455 2HB LEU 33 -0.382 15.239 -1.505 1.00 0.00 1CDR 666
+ATOM 456 HG LEU 33 0.318 17.611 -3.149 1.00 0.00 1CDR 667
+ATOM 457 1HD1 LEU 33 -2.430 16.935 -2.544 1.00 0.00 1CDR 668
+ATOM 458 2HD1 LEU 33 -1.951 18.384 -1.662 1.00 0.00 1CDR 669
+ATOM 459 3HD1 LEU 33 -1.801 18.331 -3.418 1.00 0.00 1CDR 670
+ATOM 460 1HD2 LEU 33 0.920 16.809 -0.652 1.00 0.00 1CDR 671
+ATOM 461 2HD2 LEU 33 0.806 18.515 -1.087 1.00 0.00 1CDR 672
+ATOM 462 3HD2 LEU 33 -0.553 17.713 -0.300 1.00 0.00 1CDR 673
+ATOM 463 N GLN 34 0.963 12.880 -2.465 1.00 0.00 1CDR 674
+ATOM 464 CA GLN 34 1.524 11.719 -1.716 1.00 0.00 1CDR 675
+ATOM 465 C GLN 34 1.488 10.474 -2.604 1.00 0.00 1CDR 676
+ATOM 466 O GLN 34 0.476 10.149 -3.194 1.00 0.00 1CDR 677
+ATOM 467 CB GLN 34 0.688 11.470 -0.459 1.00 0.00 1CDR 678
+ATOM 468 CG GLN 34 0.756 12.697 0.451 1.00 0.00 1CDR 679
+ATOM 469 CD GLN 34 0.053 12.388 1.774 1.00 0.00 1CDR 680
+ATOM 470 OE1 GLN 34 0.520 12.774 2.827 1.00 0.00 1CDR 681
+ATOM 471 NE2 GLN 34 -1.058 11.703 1.764 1.00 0.00 1CDR 682
+ATOM 472 H GLN 34 0.150 12.769 -3.001 1.00 0.00 1CDR 683
+ATOM 473 HA GLN 34 2.544 11.931 -1.434 1.00 0.00 1CDR 684
+ATOM 474 1HB GLN 34 -0.339 11.285 -0.739 1.00 0.00 1CDR 685
+ATOM 475 2HB GLN 34 1.079 10.612 0.068 1.00 0.00 1CDR 686
+ATOM 476 1HG GLN 34 1.789 12.947 0.640 1.00 0.00 1CDR 687
+ATOM 477 2HG GLN 34 0.264 13.529 -0.030 1.00 0.00 1CDR 688
+ATOM 478 1HE2 GLN 34 -1.515 11.499 2.605 1.00 0.00 1CDR 689
+ATOM 479 2HE2 GLN 34 -1.434 11.392 0.913 1.00 0.00 1CDR 690
+ATOM 480 N VAL 35 2.583 9.772 -2.702 1.00 0.00 1CDR 691
+ATOM 481 CA VAL 35 2.607 8.548 -3.551 1.00 0.00 1CDR 692
+ATOM 482 C VAL 35 2.166 7.345 -2.716 1.00 0.00 1CDR 693
+ATOM 483 O VAL 35 2.976 6.643 -2.142 1.00 0.00 1CDR 694
+ATOM 484 CB VAL 35 4.025 8.317 -4.075 1.00 0.00 1CDR 695
+ATOM 485 CG1 VAL 35 4.095 6.957 -4.771 1.00 0.00 1CDR 696
+ATOM 486 CG2 VAL 35 4.382 9.420 -5.075 1.00 0.00 1CDR 697
+ATOM 487 H VAL 35 3.388 10.049 -2.217 1.00 0.00 1CDR 698
+ATOM 488 HA VAL 35 1.931 8.675 -4.383 1.00 0.00 1CDR 699
+ATOM 489 HB VAL 35 4.721 8.336 -3.248 1.00 0.00 1CDR 700
+ATOM 490 1HG1 VAL 35 3.158 6.437 -4.640 1.00 0.00 1CDR 701
+ATOM 491 2HG1 VAL 35 4.281 7.103 -5.825 1.00 0.00 1CDR 702
+ATOM 492 3HG1 VAL 35 4.895 6.373 -4.341 1.00 0.00 1CDR 703
+ATOM 493 1HG2 VAL 35 4.047 10.373 -4.693 1.00 0.00 1CDR 704
+ATOM 494 2HG2 VAL 35 5.452 9.444 -5.216 1.00 0.00 1CDR 705
+ATOM 495 3HG2 VAL 35 3.897 9.219 -6.018 1.00 0.00 1CDR 706
+ATOM 496 N TYR 36 0.887 7.104 -2.641 1.00 0.00 1CDR 707
+ATOM 497 CA TYR 36 0.388 5.952 -1.841 1.00 0.00 1CDR 708
+ATOM 498 C TYR 36 1.061 4.663 -2.315 1.00 0.00 1CDR 709
+ATOM 499 O TYR 36 1.408 4.518 -3.469 1.00 0.00 1CDR 710
+ATOM 500 CB TYR 36 -1.125 5.827 -2.021 1.00 0.00 1CDR 711
+ATOM 501 CG TYR 36 -1.825 6.842 -1.152 1.00 0.00 1CDR 712
+ATOM 502 CD1 TYR 36 -2.107 8.119 -1.654 1.00 0.00 1CDR 713
+ATOM 503 CD2 TYR 36 -2.194 6.508 0.157 1.00 0.00 1CDR 714
+ATOM 504 CE1 TYR 36 -2.758 9.059 -0.847 1.00 0.00 1CDR 715
+ATOM 505 CE2 TYR 36 -2.844 7.448 0.963 1.00 0.00 1CDR 716
+ATOM 506 CZ TYR 36 -3.127 8.725 0.462 1.00 0.00 1CDR 717
+ATOM 507 OH TYR 36 -3.768 9.652 1.257 1.00 0.00 1CDR 718
+ATOM 508 H TYR 36 0.251 7.686 -3.108 1.00 0.00 1CDR 719
+ATOM 509 HA TYR 36 0.612 6.113 -0.797 1.00 0.00 1CDR 720
+ATOM 510 1HB TYR 36 -1.378 6.004 -3.055 1.00 0.00 1CDR 721
+ATOM 511 2HB TYR 36 -1.441 4.833 -1.738 1.00 0.00 1CDR 722
+ATOM 512 HD1 TYR 36 -1.823 8.376 -2.663 1.00 0.00 1CDR 723
+ATOM 513 HD2 TYR 36 -1.975 5.523 0.544 1.00 0.00 1CDR 724
+ATOM 514 HE1 TYR 36 -2.975 10.043 -1.234 1.00 0.00 1CDR 725
+ATOM 515 HE2 TYR 36 -3.129 7.189 1.973 1.00 0.00 1CDR 726
+ATOM 516 HH TYR 36 -3.213 9.820 2.022 1.00 0.00 1CDR 727
+ATOM 517 N ASN 37 1.238 3.724 -1.428 1.00 0.00 1CDR 728
+ATOM 518 CA ASN 37 1.879 2.437 -1.817 1.00 0.00 1CDR 729
+ATOM 519 C ASN 37 1.201 1.298 -1.054 1.00 0.00 1CDR 730
+ATOM 520 O ASN 37 1.361 1.157 0.142 1.00 0.00 1CDR 731
+ATOM 521 CB ASN 37 3.368 2.480 -1.467 1.00 0.00 1CDR 732
+ATOM 522 CG ASN 37 4.146 3.082 -2.638 1.00 0.00 1CDR 733
+ATOM 523 OD1 ASN 37 3.704 3.023 -3.769 1.00 0.00 1CDR 734
+ATOM 524 ND2 ASN 37 5.292 3.664 -2.415 1.00 0.00 1CDR 735
+ATOM 525 H ASN 37 0.944 3.863 -0.503 1.00 0.00 1CDR 736
+ATOM 526 HA ASN 37 1.761 2.281 -2.879 1.00 0.00 1CDR 737
+ATOM 527 1HB ASN 37 3.514 3.089 -0.587 1.00 0.00 1CDR 738
+ATOM 528 2HB ASN 37 3.724 1.479 -1.277 1.00 0.00 1CDR 739
+ATOM 529 1HD2 ASN 37 5.797 4.051 -3.160 1.00 0.00 1CDR 740
+ATOM 530 2HD2 ASN 37 5.648 3.713 -1.504 1.00 0.00 1CDR 741
+ATOM 531 N LYS 38 0.433 0.491 -1.732 1.00 0.00 1CDR 742
+ATOM 532 CA LYS 38 -0.265 -0.625 -1.036 1.00 0.00 1CDR 743
+ATOM 533 C LYS 38 -0.545 -1.764 -2.012 1.00 0.00 1CDR 744
+ATOM 534 O LYS 38 -0.583 -1.580 -3.215 1.00 0.00 1CDR 745
+ATOM 535 CB LYS 38 -1.595 -0.117 -0.473 1.00 0.00 1CDR 746
+ATOM 536 CG LYS 38 -2.184 0.925 -1.425 1.00 0.00 1CDR 747
+ATOM 537 CD LYS 38 -2.075 2.315 -0.796 1.00 0.00 1CDR 748
+ATOM 538 CE LYS 38 -2.734 2.303 0.585 1.00 0.00 1CDR 749
+ATOM 539 NZ LYS 38 -1.747 2.748 1.610 1.00 0.00 1CDR 750
+ATOM 540 H LYS 38 0.306 0.626 -2.695 1.00 0.00 1CDR 751
+ATOM 541 HA LYS 38 0.350 -0.990 -0.227 1.00 0.00 1CDR 752
+ATOM 542 1HB LYS 38 -2.283 -0.944 -0.374 1.00 0.00 1CDR 753
+ATOM 543 2HB LYS 38 -1.430 0.334 0.492 1.00 0.00 1CDR 754
+ATOM 544 1HG LYS 38 -1.641 0.908 -2.359 1.00 0.00 1CDR 755
+ATOM 545 2HG LYS 38 -3.223 0.697 -1.610 1.00 0.00 1CDR 756
+ATOM 546 1HD LYS 38 -1.033 2.583 -0.695 1.00 0.00 1CDR 757
+ATOM 547 2HD LYS 38 -2.574 3.035 -1.424 1.00 0.00 1CDR 758
+ATOM 548 1HE LYS 38 -3.581 2.974 0.584 1.00 0.00 1CDR 759
+ATOM 549 2HE LYS 38 -3.067 1.302 0.817 1.00 0.00 1CDR 760
+ATOM 550 1HZ LYS 38 -0.876 3.063 1.139 1.00 0.00 1CDR 761
+ATOM 551 2HZ LYS 38 -2.151 3.535 2.159 1.00 0.00 1CDR 762
+ATOM 552 3HZ LYS 38 -1.527 1.957 2.247 1.00 0.00 1CDR 763
+ATOM 553 N CYS 39 -0.769 -2.935 -1.493 1.00 0.00 1CDR 764
+ATOM 554 CA CYS 39 -1.082 -4.096 -2.367 1.00 0.00 1CDR 765
+ATOM 555 C CYS 39 -2.564 -4.026 -2.716 1.00 0.00 1CDR 766
+ATOM 556 O CYS 39 -3.404 -3.881 -1.849 1.00 0.00 1CDR 767
+ATOM 557 CB CYS 39 -0.786 -5.399 -1.620 1.00 0.00 1CDR 768
+ATOM 558 SG CYS 39 0.939 -5.401 -1.073 1.00 0.00 1CDR 769
+ATOM 559 H CYS 39 -0.752 -3.044 -0.520 1.00 0.00 1CDR 770
+ATOM 560 HA CYS 39 -0.490 -4.046 -3.270 1.00 0.00 1CDR 771
+ATOM 561 1HB CYS 39 -1.437 -5.477 -0.762 1.00 0.00 1CDR 772
+ATOM 562 2HB CYS 39 -0.956 -6.238 -2.279 1.00 0.00 1CDR 773
+ATOM 563 N TRP 40 -2.903 -4.089 -3.970 1.00 0.00 1CDR 774
+ATOM 564 CA TRP 40 -4.332 -3.984 -4.339 1.00 0.00 1CDR 775
+ATOM 565 C TRP 40 -4.731 -5.140 -5.259 1.00 0.00 1CDR 776
+ATOM 566 O TRP 40 -3.897 -5.813 -5.827 1.00 0.00 1CDR 777
+ATOM 567 CB TRP 40 -4.542 -2.653 -5.052 1.00 0.00 1CDR 778
+ATOM 568 CG TRP 40 -5.930 -2.180 -4.809 1.00 0.00 1CDR 779
+ATOM 569 CD1 TRP 40 -7.006 -2.588 -5.506 1.00 0.00 1CDR 780
+ATOM 570 CD2 TRP 40 -6.408 -1.230 -3.817 1.00 0.00 1CDR 781
+ATOM 571 NE1 TRP 40 -8.127 -1.944 -5.012 1.00 0.00 1CDR 782
+ATOM 572 CE2 TRP 40 -7.809 -1.095 -3.968 1.00 0.00 1CDR 783
+ATOM 573 CE3 TRP 40 -5.771 -0.476 -2.812 1.00 0.00 1CDR 784
+ATOM 574 CZ2 TRP 40 -8.552 -0.242 -3.150 1.00 0.00 1CDR 785
+ATOM 575 CZ3 TRP 40 -6.517 0.382 -1.988 1.00 0.00 1CDR 786
+ATOM 576 CH2 TRP 40 -7.904 0.498 -2.158 1.00 0.00 1CDR 787
+ATOM 577 H TRP 40 -2.221 -4.179 -4.665 1.00 0.00 1CDR 788
+ATOM 578 HA TRP 40 -4.938 -4.011 -3.446 1.00 0.00 1CDR 789
+ATOM 579 1HB TRP 40 -3.843 -1.927 -4.664 1.00 0.00 1CDR 790
+ATOM 580 2HB TRP 40 -4.382 -2.780 -6.112 1.00 0.00 1CDR 791
+ATOM 581 HD1 TRP 40 -6.989 -3.302 -6.318 1.00 0.00 1CDR 792
+ATOM 582 HE1 TRP 40 -9.039 -2.061 -5.345 1.00 0.00 1CDR 793
+ATOM 583 HE3 TRP 40 -4.701 -0.560 -2.671 1.00 0.00 1CDR 794
+ATOM 584 HZ2 TRP 40 -9.620 -0.156 -3.283 1.00 0.00 1CDR 795
+ATOM 585 HZ3 TRP 40 -6.019 0.956 -1.220 1.00 0.00 1CDR 796
+ATOM 586 HH2 TRP 40 -8.472 1.161 -1.521 1.00 0.00 1CDR 797
+ATOM 587 N LYS 41 -6.007 -5.375 -5.402 1.00 0.00 1CDR 798
+ATOM 588 CA LYS 41 -6.467 -6.486 -6.279 1.00 0.00 1CDR 799
+ATOM 589 C LYS 41 -6.575 -5.990 -7.722 1.00 0.00 1CDR 800
+ATOM 590 O LYS 41 -6.661 -4.805 -7.979 1.00 0.00 1CDR 801
+ATOM 591 CB LYS 41 -7.838 -6.975 -5.803 1.00 0.00 1CDR 802
+ATOM 592 CG LYS 41 -7.742 -7.421 -4.343 1.00 0.00 1CDR 803
+ATOM 593 CD LYS 41 -8.023 -8.922 -4.246 1.00 0.00 1CDR 804
+ATOM 594 CE LYS 41 -6.956 -9.690 -5.027 1.00 0.00 1CDR 805
+ATOM 595 NZ LYS 41 -7.615 -10.626 -5.981 1.00 0.00 1CDR 806
+ATOM 596 H LYS 41 -6.662 -4.821 -4.929 1.00 0.00 1CDR 807
+ATOM 597 HA LYS 41 -5.759 -7.299 -6.230 1.00 0.00 1CDR 808
+ATOM 598 1HB LYS 41 -8.557 -6.173 -5.890 1.00 0.00 1CDR 809
+ATOM 599 2HB LYS 41 -8.154 -7.809 -6.412 1.00 0.00 1CDR 810
+ATOM 600 1HG LYS 41 -6.749 -7.215 -3.968 1.00 0.00 1CDR 811
+ATOM 601 2HG LYS 41 -8.468 -6.882 -3.754 1.00 0.00 1CDR 812
+ATOM 602 1HD LYS 41 -8.002 -9.226 -3.211 1.00 0.00 1CDR 813
+ATOM 603 2HD LYS 41 -8.996 -9.135 -4.665 1.00 0.00 1CDR 814
+ATOM 604 1HE LYS 41 -6.338 -8.993 -5.575 1.00 0.00 1CDR 815
+ATOM 605 2HE LYS 41 -6.341 -10.252 -4.339 1.00 0.00 1CDR 816
+ATOM 606 1HZ LYS 41 -8.424 -11.085 -5.515 1.00 0.00 1CDR 817
+ATOM 607 2HZ LYS 41 -7.948 -10.098 -6.812 1.00 0.00 1CDR 818
+ATOM 608 3HZ LYS 41 -6.933 -11.350 -6.285 1.00 0.00 1CDR 819
+ATOM 609 N PHE 42 -6.575 -6.889 -8.666 1.00 0.00 1CDR 820
+ATOM 610 CA PHE 42 -6.681 -6.477 -10.092 1.00 0.00 1CDR 821
+ATOM 611 C PHE 42 -8.145 -6.199 -10.423 1.00 0.00 1CDR 822
+ATOM 612 O PHE 42 -8.458 -5.489 -11.357 1.00 0.00 1CDR 823
+ATOM 613 CB PHE 42 -6.157 -7.603 -10.987 1.00 0.00 1CDR 824
+ATOM 614 CG PHE 42 -6.064 -7.117 -12.414 1.00 0.00 1CDR 825
+ATOM 615 CD1 PHE 42 -5.208 -6.059 -12.740 1.00 0.00 1CDR 826
+ATOM 616 CD2 PHE 42 -6.832 -7.729 -13.413 1.00 0.00 1CDR 827
+ATOM 617 CE1 PHE 42 -5.118 -5.613 -14.064 1.00 0.00 1CDR 828
+ATOM 618 CE2 PHE 42 -6.743 -7.283 -14.738 1.00 0.00 1CDR 829
+ATOM 619 CZ PHE 42 -5.886 -6.225 -15.063 1.00 0.00 1CDR 830
+ATOM 620 H PHE 42 -6.511 -7.838 -8.437 1.00 0.00 1CDR 831
+ATOM 621 HA PHE 42 -6.099 -5.582 -10.255 1.00 0.00 1CDR 832
+ATOM 622 1HB PHE 42 -5.180 -7.907 -10.645 1.00 0.00 1CDR 833
+ATOM 623 2HB PHE 42 -6.834 -8.444 -10.937 1.00 0.00 1CDR 834
+ATOM 624 HD1 PHE 42 -4.615 -5.588 -11.970 1.00 0.00 1CDR 835
+ATOM 625 HD2 PHE 42 -7.494 -8.546 -13.162 1.00 0.00 1CDR 836
+ATOM 626 HE1 PHE 42 -4.457 -4.797 -14.315 1.00 0.00 1CDR 837
+ATOM 627 HE2 PHE 42 -7.335 -7.755 -15.508 1.00 0.00 1CDR 838
+ATOM 628 HZ PHE 42 -5.816 -5.880 -16.084 1.00 0.00 1CDR 839
+ATOM 629 N GLU 43 -9.046 -6.754 -9.662 1.00 0.00 1CDR 840
+ATOM 630 CA GLU 43 -10.488 -6.518 -9.935 1.00 0.00 1CDR 841
+ATOM 631 C GLU 43 -10.938 -5.254 -9.204 1.00 0.00 1CDR 842
+ATOM 632 O GLU 43 -11.878 -4.595 -9.604 1.00 0.00 1CDR 843
+ATOM 633 CB GLU 43 -11.309 -7.714 -9.449 1.00 0.00 1CDR 844
+ATOM 634 CG GLU 43 -12.461 -7.971 -10.423 1.00 0.00 1CDR 845
+ATOM 635 CD GLU 43 -11.897 -8.356 -11.792 1.00 0.00 1CDR 846
+ATOM 636 OE1 GLU 43 -11.150 -9.317 -11.854 1.00 0.00 1CDR 847
+ATOM 637 OE2 GLU 43 -12.224 -7.682 -12.756 1.00 0.00 1CDR 848
+ATOM 638 H GLU 43 -8.775 -7.323 -8.912 1.00 0.00 1CDR 849
+ATOM 639 HA GLU 43 -10.630 -6.389 -10.995 1.00 0.00 1CDR 850
+ATOM 640 1HB GLU 43 -10.676 -8.588 -9.398 1.00 0.00 1CDR 851
+ATOM 641 2HB GLU 43 -11.709 -7.501 -8.470 1.00 0.00 1CDR 852
+ATOM 642 1HG GLU 43 -13.077 -8.774 -10.047 1.00 0.00 1CDR 853
+ATOM 643 2HG GLU 43 -13.056 -7.075 -10.519 1.00 0.00 1CDR 854
+ATOM 644 N HIS 44 -10.270 -4.907 -8.140 1.00 0.00 1CDR 855
+ATOM 645 CA HIS 44 -10.655 -3.681 -7.389 1.00 0.00 1CDR 856
+ATOM 646 C HIS 44 -9.822 -2.500 -7.891 1.00 0.00 1CDR 857
+ATOM 647 O HIS 44 -9.883 -1.412 -7.353 1.00 0.00 1CDR 858
+ATOM 648 CB HIS 44 -10.394 -3.887 -5.896 1.00 0.00 1CDR 859
+ATOM 649 CG HIS 44 -11.227 -5.030 -5.389 1.00 0.00 1CDR 860
+ATOM 650 ND1 HIS 44 -11.295 -5.352 -4.043 1.00 0.00 1CDR 861
+ATOM 651 CD2 HIS 44 -12.033 -5.936 -6.033 1.00 0.00 1CDR 862
+ATOM 652 CE1 HIS 44 -12.116 -6.411 -3.920 1.00 0.00 1CDR 863
+ATOM 653 NE2 HIS 44 -12.593 -6.807 -5.103 1.00 0.00 1CDR 864
+ATOM 654 H HIS 44 -9.512 -5.449 -7.837 1.00 0.00 1CDR 865
+ATOM 655 HA HIS 44 -11.704 -3.475 -7.546 1.00 0.00 1CDR 866
+ATOM 656 1HB HIS 44 -9.348 -4.108 -5.741 1.00 0.00 1CDR 867
+ATOM 657 2HB HIS 44 -10.653 -2.987 -5.358 1.00 0.00 1CDR 868
+ATOM 658 HD1 HIS 44 -10.830 -4.892 -3.313 1.00 0.00 1CDR 869
+ATOM 659 HD2 HIS 44 -12.207 -5.967 -7.098 1.00 0.00 1CDR 870
+ATOM 660 HE1 HIS 44 -12.358 -6.883 -2.980 1.00 0.00 1CDR 871
+ATOM 661 N CYS 45 -9.038 -2.703 -8.917 1.00 0.00 1CDR 872
+ATOM 662 CA CYS 45 -8.204 -1.587 -9.443 1.00 0.00 1CDR 873
+ATOM 663 C CYS 45 -8.961 -0.862 -10.556 1.00 0.00 1CDR 874
+ATOM 664 O CYS 45 -8.517 -0.800 -11.686 1.00 0.00 1CDR 875
+ATOM 665 CB CYS 45 -6.888 -2.141 -9.993 1.00 0.00 1CDR 876
+ATOM 666 SG CYS 45 -5.503 -1.269 -9.220 1.00 0.00 1CDR 877
+ATOM 667 H CYS 45 -8.998 -3.589 -9.341 1.00 0.00 1CDR 878
+ATOM 668 HA CYS 45 -7.993 -0.891 -8.644 1.00 0.00 1CDR 879
+ATOM 669 1HB CYS 45 -6.821 -3.195 -9.771 1.00 0.00 1CDR 880
+ATOM 670 2HB CYS 45 -6.855 -1.994 -11.062 1.00 0.00 1CDR 881
+ATOM 671 N ASN 46 -10.099 -0.310 -10.244 1.00 0.00 1CDR 882
+ATOM 672 CA ASN 46 -10.888 0.418 -11.277 1.00 0.00 1CDR 883
+ATOM 673 C ASN 46 -11.051 1.878 -10.848 1.00 0.00 1CDR 884
+ATOM 674 O ASN 46 -10.456 2.320 -9.885 1.00 0.00 1CDR 885
+ATOM 675 CB ASN 46 -12.269 -0.231 -11.418 1.00 0.00 1CDR 886
+ATOM 676 CG ASN 46 -12.713 -0.788 -10.064 1.00 0.00 1CDR 887
+ATOM 677 OD1 ASN 46 -13.574 -0.226 -9.416 1.00 0.00 1CDR 888
+ATOM 678 ND2 ASN 46 -12.159 -1.877 -9.606 1.00 0.00 1CDR 889
+ATOM 679 H ASN 46 -10.436 -0.370 -9.326 1.00 0.00 1CDR 890
+ATOM 680 HA ASN 46 -10.371 0.375 -12.224 1.00 0.00 1CDR 891
+ATOM 681 1HB ASN 46 -12.980 0.509 -11.756 1.00 0.00 1CDR 892
+ATOM 682 2HB ASN 46 -12.217 -1.034 -12.137 1.00 0.00 1CDR 893
+ATOM 683 1HD2 ASN 46 -12.436 -2.241 -8.740 1.00 0.00 1CDR 894
+ATOM 684 2HD2 ASN 46 -11.463 -2.330 -10.128 1.00 0.00 1CDR 895
+ATOM 685 N PHE 47 -11.852 2.630 -11.551 1.00 0.00 1CDR 896
+ATOM 686 CA PHE 47 -12.047 4.058 -11.173 1.00 0.00 1CDR 897
+ATOM 687 C PHE 47 -13.229 4.169 -10.209 1.00 0.00 1CDR 898
+ATOM 688 O PHE 47 -14.186 4.875 -10.460 1.00 0.00 1CDR 899
+ATOM 689 CB PHE 47 -12.329 4.885 -12.431 1.00 0.00 1CDR 900
+ATOM 690 CG PHE 47 -11.439 6.104 -12.443 1.00 0.00 1CDR 901
+ATOM 691 CD1 PHE 47 -11.427 6.975 -11.347 1.00 0.00 1CDR 902
+ATOM 692 CD2 PHE 47 -10.626 6.366 -13.552 1.00 0.00 1CDR 903
+ATOM 693 CE1 PHE 47 -10.603 8.107 -11.359 1.00 0.00 1CDR 904
+ATOM 694 CE2 PHE 47 -9.801 7.497 -13.566 1.00 0.00 1CDR 905
+ATOM 695 CZ PHE 47 -9.790 8.368 -12.469 1.00 0.00 1CDR 906
+ATOM 696 H PHE 47 -12.325 2.257 -12.323 1.00 0.00 1CDR 907
+ATOM 697 HA PHE 47 -11.154 4.429 -10.693 1.00 0.00 1CDR 908
+ATOM 698 1HB PHE 47 -12.131 4.286 -13.307 1.00 0.00 1CDR 909
+ATOM 699 2HB PHE 47 -13.363 5.195 -12.433 1.00 0.00 1CDR 910
+ATOM 700 HD1 PHE 47 -12.054 6.774 -10.490 1.00 0.00 1CDR 911
+ATOM 701 HD2 PHE 47 -10.634 5.694 -14.399 1.00 0.00 1CDR 912
+ATOM 702 HE1 PHE 47 -10.593 8.778 -10.514 1.00 0.00 1CDR 913
+ATOM 703 HE2 PHE 47 -9.174 7.698 -14.422 1.00 0.00 1CDR 914
+ATOM 704 HZ PHE 47 -9.154 9.241 -12.479 1.00 0.00 1CDR 915
+ATOM 705 N ASN 48 -13.172 3.472 -9.106 1.00 0.00 1CDR 916
+ATOM 706 CA ASN 48 -14.291 3.532 -8.124 1.00 0.00 1CDR 917
+ATOM 707 C ASN 48 -13.985 2.606 -6.943 1.00 0.00 1CDR 918
+ATOM 708 O ASN 48 -14.366 2.872 -5.820 1.00 0.00 1CDR 919
+ATOM 709 CB ASN 48 -15.588 3.082 -8.800 1.00 0.00 1CDR 920
+ATOM 710 CG ASN 48 -16.780 3.766 -8.130 1.00 0.00 1CDR 921
+ATOM 711 OD1 ASN 48 -17.008 4.944 -8.324 1.00 0.00 1CDR 922
+ATOM 712 ND2 ASN 48 -17.558 3.073 -7.343 1.00 0.00 1CDR 923
+ATOM 713 H ASN 48 -12.391 2.908 -8.924 1.00 0.00 1CDR 924
+ATOM 714 HA ASN 48 -14.403 4.545 -7.768 1.00 0.00 1CDR 925
+ATOM 715 1HB ASN 48 -15.559 3.351 -9.847 1.00 0.00 1CDR 926
+ATOM 716 2HB ASN 48 -15.691 2.012 -8.706 1.00 0.00 1CDR 927
+ATOM 717 1HD2 ASN 48 -18.323 3.504 -6.909 1.00 0.00 1CDR 928
+ATOM 718 2HD2 ASN 48 -17.376 2.123 -7.188 1.00 0.00 1CDR 929
+ATOM 719 N ASP 49 -13.306 1.519 -7.185 1.00 0.00 1CDR 930
+ATOM 720 CA ASP 49 -12.983 0.579 -6.076 1.00 0.00 1CDR 931
+ATOM 721 C ASP 49 -11.779 1.099 -5.286 1.00 0.00 1CDR 932
+ATOM 722 O ASP 49 -11.534 0.685 -4.169 1.00 0.00 1CDR 933
+ATOM 723 CB ASP 49 -12.653 -0.797 -6.656 1.00 0.00 1CDR 934
+ATOM 724 CG ASP 49 -13.931 -1.633 -6.748 1.00 0.00 1CDR 935
+ATOM 725 OD1 ASP 49 -14.838 -1.216 -7.449 1.00 0.00 1CDR 936
+ATOM 726 OD2 ASP 49 -13.980 -2.675 -6.116 1.00 0.00 1CDR 937
+ATOM 727 H ASP 49 -13.010 1.321 -8.098 1.00 0.00 1CDR 938
+ATOM 728 HA ASP 49 -13.836 0.494 -5.418 1.00 0.00 1CDR 939
+ATOM 729 1HB ASP 49 -12.227 -0.679 -7.642 1.00 0.00 1CDR 940
+ATOM 730 2HB ASP 49 -11.943 -1.298 -6.014 1.00 0.00 1CDR 941
+ATOM 731 N VAL 50 -11.024 1.998 -5.854 1.00 0.00 1CDR 942
+ATOM 732 CA VAL 50 -9.837 2.535 -5.130 1.00 0.00 1CDR 943
+ATOM 733 C VAL 50 -10.171 3.904 -4.535 1.00 0.00 1CDR 944
+ATOM 734 O VAL 50 -9.860 4.187 -3.395 1.00 0.00 1CDR 945
+ATOM 735 CB VAL 50 -8.667 2.674 -6.106 1.00 0.00 1CDR 946
+ATOM 736 CG1 VAL 50 -7.496 3.367 -5.406 1.00 0.00 1CDR 947
+ATOM 737 CG2 VAL 50 -8.230 1.284 -6.574 1.00 0.00 1CDR 948
+ATOM 738 H VAL 50 -11.236 2.318 -6.756 1.00 0.00 1CDR 949
+ATOM 739 HA VAL 50 -9.562 1.855 -4.336 1.00 0.00 1CDR 950
+ATOM 740 HB VAL 50 -8.978 3.262 -6.956 1.00 0.00 1CDR 951
+ATOM 741 1HG1 VAL 50 -7.747 3.539 -4.370 1.00 0.00 1CDR 952
+ATOM 742 2HG1 VAL 50 -6.619 2.741 -5.467 1.00 0.00 1CDR 953
+ATOM 743 3HG1 VAL 50 -7.297 4.312 -5.890 1.00 0.00 1CDR 954
+ATOM 744 1HG2 VAL 50 -8.935 0.546 -6.220 1.00 0.00 1CDR 955
+ATOM 745 2HG2 VAL 50 -8.198 1.261 -7.654 1.00 0.00 1CDR 956
+ATOM 746 3HG2 VAL 50 -7.249 1.063 -6.181 1.00 0.00 1CDR 957
+ATOM 747 N THR 51 -10.801 4.757 -5.295 1.00 0.00 1CDR 958
+ATOM 748 CA THR 51 -11.152 6.105 -4.766 1.00 0.00 1CDR 959
+ATOM 749 C THR 51 -12.177 5.959 -3.639 1.00 0.00 1CDR 960
+ATOM 750 O THR 51 -12.478 6.903 -2.935 1.00 0.00 1CDR 961
+ATOM 751 CB THR 51 -11.746 6.958 -5.890 1.00 0.00 1CDR 962
+ATOM 752 OG1 THR 51 -12.687 6.185 -6.621 1.00 0.00 1CDR 963
+ATOM 753 CG2 THR 51 -10.628 7.424 -6.825 1.00 0.00 1CDR 964
+ATOM 754 H THR 51 -11.043 4.512 -6.212 1.00 0.00 1CDR 965
+ATOM 755 HA THR 51 -10.262 6.584 -4.383 1.00 0.00 1CDR 966
+ATOM 756 HB THR 51 -12.237 7.819 -5.467 1.00 0.00 1CDR 967
+ATOM 757 HG1 THR 51 -12.223 5.754 -7.342 1.00 0.00 1CDR 968
+ATOM 758 1HG2 THR 51 -10.054 6.570 -7.153 1.00 0.00 1CDR 969
+ATOM 759 2HG2 THR 51 -11.060 7.918 -7.683 1.00 0.00 1CDR 970
+ATOM 760 3HG2 THR 51 -9.984 8.112 -6.300 1.00 0.00 1CDR 971
+ATOM 761 N THR 52 -12.716 4.783 -3.462 1.00 0.00 1CDR 972
+ATOM 762 CA THR 52 -13.720 4.576 -2.385 1.00 0.00 1CDR 973
+ATOM 763 C THR 52 -13.047 3.927 -1.174 1.00 0.00 1CDR 974
+ATOM 764 O THR 52 -13.255 4.331 -0.048 1.00 0.00 1CDR 975
+ATOM 765 CB THR 52 -14.823 3.656 -2.901 1.00 0.00 1CDR 976
+ATOM 766 OG1 THR 52 -15.321 4.158 -4.133 1.00 0.00 1CDR 977
+ATOM 767 CG2 THR 52 -15.955 3.594 -1.880 1.00 0.00 1CDR 978
+ATOM 768 H THR 52 -12.463 4.035 -4.039 1.00 0.00 1CDR 979
+ATOM 769 HA THR 52 -14.146 5.526 -2.098 1.00 0.00 1CDR 980
+ATOM 770 HB THR 52 -14.423 2.666 -3.049 1.00 0.00 1CDR 981
+ATOM 771 HG1 THR 52 -16.014 3.567 -4.437 1.00 0.00 1CDR 982
+ATOM 772 1HG2 THR 52 -15.996 4.523 -1.333 1.00 0.00 1CDR 983
+ATOM 773 2HG2 THR 52 -16.892 3.434 -2.392 1.00 0.00 1CDR 984
+ATOM 774 3HG2 THR 52 -15.775 2.780 -1.194 1.00 0.00 1CDR 985
+ATOM 775 N ARG 53 -12.245 2.922 -1.397 1.00 0.00 1CDR 986
+ATOM 776 CA ARG 53 -11.564 2.249 -0.257 1.00 0.00 1CDR 987
+ATOM 777 C ARG 53 -10.676 3.257 0.467 1.00 0.00 1CDR 988
+ATOM 778 O ARG 53 -10.648 3.321 1.679 1.00 0.00 1CDR 989
+ATOM 779 CB ARG 53 -10.706 1.098 -0.783 1.00 0.00 1CDR 990
+ATOM 780 CG ARG 53 -11.474 -0.218 -0.638 1.00 0.00 1CDR 991
+ATOM 781 CD ARG 53 -10.673 -1.179 0.243 1.00 0.00 1CDR 992
+ATOM 782 NE ARG 53 -11.098 -1.022 1.662 1.00 0.00 1CDR 993
+ATOM 783 CZ ARG 53 -10.426 -1.610 2.613 1.00 0.00 1CDR 994
+ATOM 784 NH1 ARG 53 -9.263 -1.143 2.977 1.00 0.00 1CDR 995
+ATOM 785 NH2 ARG 53 -10.920 -2.665 3.202 1.00 0.00 1CDR 996
+ATOM 786 H ARG 53 -12.091 2.610 -2.312 1.00 0.00 1CDR 997
+ATOM 787 HA ARG 53 -12.304 1.863 0.429 1.00 0.00 1CDR 998
+ATOM 788 1HB ARG 53 -10.475 1.268 -1.824 1.00 0.00 1CDR 999
+ATOM 789 2HB ARG 53 -9.791 1.042 -0.213 1.00 0.00 1CDR1000
+ATOM 790 1HG ARG 53 -12.435 -0.024 -0.181 1.00 0.00 1CDR1001
+ATOM 791 2HG ARG 53 -11.619 -0.659 -1.611 1.00 0.00 1CDR1002
+ATOM 792 1HD ARG 53 -10.854 -2.194 -0.077 1.00 0.00 1CDR1003
+ATOM 793 2HD ARG 53 -9.621 -0.955 0.155 1.00 0.00 1CDR1004
+ATOM 794 HE ARG 53 -11.882 -0.476 1.881 1.00 0.00 1CDR1005
+ATOM 795 1HH1 ARG 53 -8.887 -0.334 2.526 1.00 0.00 1CDR1006
+ATOM 796 2HH1 ARG 53 -8.749 -1.595 3.707 1.00 0.00 1CDR1007
+ATOM 797 1HH2 ARG 53 -11.812 -3.022 2.924 1.00 0.00 1CDR1008
+ATOM 798 2HH2 ARG 53 -10.407 -3.116 3.932 1.00 0.00 1CDR1009
+ATOM 799 N LEU 54 -9.949 4.051 -0.269 1.00 0.00 1CDR1010
+ATOM 800 CA LEU 54 -9.065 5.058 0.372 1.00 0.00 1CDR1011
+ATOM 801 C LEU 54 -9.904 6.258 0.808 1.00 0.00 1CDR1012
+ATOM 802 O LEU 54 -9.443 7.120 1.530 1.00 0.00 1CDR1013
+ATOM 803 CB LEU 54 -8.004 5.508 -0.632 1.00 0.00 1CDR1014
+ATOM 804 CG LEU 54 -7.290 4.279 -1.189 1.00 0.00 1CDR1015
+ATOM 805 CD1 LEU 54 -6.498 4.667 -2.438 1.00 0.00 1CDR1016
+ATOM 806 CD2 LEU 54 -6.337 3.722 -0.131 1.00 0.00 1CDR1017
+ATOM 807 H LEU 54 -9.987 3.985 -1.247 1.00 0.00 1CDR1018
+ATOM 808 HA LEU 54 -8.582 4.618 1.231 1.00 0.00 1CDR1019
+ATOM 809 1HB LEU 54 -8.478 6.049 -1.440 1.00 0.00 1CDR1020
+ATOM 810 2HB LEU 54 -7.289 6.146 -0.139 1.00 0.00 1CDR1021
+ATOM 811 HG LEU 54 -8.022 3.527 -1.445 1.00 0.00 1CDR1022
+ATOM 812 1HD1 LEU 54 -7.097 5.316 -3.058 1.00 0.00 1CDR1023
+ATOM 813 2HD1 LEU 54 -5.595 5.181 -2.146 1.00 0.00 1CDR1024
+ATOM 814 3HD1 LEU 54 -6.242 3.776 -2.993 1.00 0.00 1CDR1025
+ATOM 815 1HD2 LEU 54 -6.858 3.631 0.810 1.00 0.00 1CDR1026
+ATOM 816 2HD2 LEU 54 -5.980 2.752 -0.442 1.00 0.00 1CDR1027
+ATOM 817 3HD2 LEU 54 -5.498 4.393 -0.014 1.00 0.00 1CDR1028
+ATOM 818 N ARG 55 -11.133 6.322 0.376 1.00 0.00 1CDR1029
+ATOM 819 CA ARG 55 -12.001 7.466 0.766 1.00 0.00 1CDR1030
+ATOM 820 C ARG 55 -11.490 8.738 0.091 1.00 0.00 1CDR1031
+ATOM 821 O ARG 55 -11.595 9.824 0.625 1.00 0.00 1CDR1032
+ATOM 822 CB ARG 55 -11.972 7.647 2.286 1.00 0.00 1CDR1033
+ATOM 823 CG ARG 55 -11.992 6.279 2.975 1.00 0.00 1CDR1034
+ATOM 824 CD ARG 55 -10.839 6.198 3.978 1.00 0.00 1CDR1035
+ATOM 825 NE ARG 55 -11.322 6.619 5.323 1.00 0.00 1CDR1036
+ATOM 826 CZ ARG 55 -12.307 5.980 5.893 1.00 0.00 1CDR1037
+ATOM 827 NH1 ARG 55 -13.427 6.599 6.146 1.00 0.00 1CDR1038
+ATOM 828 NH2 ARG 55 -12.171 4.722 6.213 1.00 0.00 1CDR1039
+ATOM 829 H ARG 55 -11.488 5.616 -0.207 1.00 0.00 1CDR1040
+ATOM 830 HA ARG 55 -13.012 7.270 0.444 1.00 0.00 1CDR1041
+ATOM 831 1HB ARG 55 -11.074 8.178 2.566 1.00 0.00 1CDR1042
+ATOM 832 2HB ARG 55 -12.836 8.214 2.596 1.00 0.00 1CDR1043
+ATOM 833 1HG ARG 55 -12.930 6.152 3.493 1.00 0.00 1CDR1044
+ATOM 834 2HG ARG 55 -11.880 5.499 2.238 1.00 0.00 1CDR1045
+ATOM 835 1HD ARG 55 -10.475 5.182 4.027 1.00 0.00 1CDR1046
+ATOM 836 2HD ARG 55 -10.040 6.852 3.661 1.00 0.00 1CDR1047
+ATOM 837 HE ARG 55 -10.899 7.377 5.779 1.00 0.00 1CDR1048
+ATOM 838 1HH1 ARG 55 -13.531 7.563 5.902 1.00 0.00 1CDR1049
+ATOM 839 2HH1 ARG 55 -14.182 6.109 6.582 1.00 0.00 1CDR1050
+ATOM 840 1HH2 ARG 55 -11.312 4.247 6.021 1.00 0.00 1CDR1051
+ATOM 841 2HH2 ARG 55 -12.926 4.233 6.649 1.00 0.00 1CDR1052
+ATOM 842 N GLU 56 -10.938 8.610 -1.082 1.00 0.00 1CDR1053
+ATOM 843 CA GLU 56 -10.418 9.808 -1.800 1.00 0.00 1CDR1054
+ATOM 844 C GLU 56 -11.086 9.902 -3.172 1.00 0.00 1CDR1055
+ATOM 845 O GLU 56 -12.151 9.361 -3.390 1.00 0.00 1CDR1056
+ATOM 846 CB GLU 56 -8.903 9.679 -1.976 1.00 0.00 1CDR1057
+ATOM 847 CG GLU 56 -8.223 10.964 -1.498 1.00 0.00 1CDR1058
+ATOM 848 CD GLU 56 -6.744 10.687 -1.221 1.00 0.00 1CDR1059
+ATOM 849 OE1 GLU 56 -6.433 9.572 -0.835 1.00 0.00 1CDR1060
+ATOM 850 OE2 GLU 56 -5.948 11.593 -1.399 1.00 0.00 1CDR1061
+ATOM 851 H GLU 56 -10.865 7.723 -1.494 1.00 0.00 1CDR1062
+ATOM 852 HA GLU 56 -10.641 10.696 -1.228 1.00 0.00 1CDR1063
+ATOM 853 1HB GLU 56 -8.544 8.843 -1.393 1.00 0.00 1CDR1064
+ATOM 854 2HB GLU 56 -8.673 9.518 -3.017 1.00 0.00 1CDR1065
+ATOM 855 1HG GLU 56 -8.310 11.722 -2.264 1.00 0.00 1CDR1066
+ATOM 856 2HG GLU 56 -8.698 11.309 -0.594 1.00 0.00 1CDR1067
+ATOM 857 N ASN 57 -10.473 10.582 -4.101 1.00 0.00 1CDR1068
+ATOM 858 CA ASN 57 -11.083 10.704 -5.455 1.00 0.00 1CDR1069
+ATOM 859 C ASN 57 -10.016 11.130 -6.465 1.00 0.00 1CDR1070
+ATOM 860 O ASN 57 -9.546 10.340 -7.258 1.00 0.00 1CDR1071
+ATOM 861 CB ASN 57 -12.199 11.750 -5.417 1.00 0.00 1CDR1072
+ATOM 862 CG ASN 57 -13.481 11.149 -5.997 1.00 0.00 1CDR1073
+ATOM 863 OD1 ASN 57 -13.857 11.452 -7.112 1.00 0.00 1CDR1074
+ATOM 864 ND2 ASN 57 -14.173 10.303 -5.284 1.00 0.00 1CDR1075
+ATOM 865 H ASN 57 -9.614 11.013 -3.909 1.00 0.00 1CDR1076
+ATOM 866 HA ASN 57 -11.495 9.750 -5.749 1.00 0.00 1CDR1077
+ATOM 867 1HB ASN 57 -12.373 12.052 -4.394 1.00 0.00 1CDR1078
+ATOM 868 2HB ASN 57 -11.908 12.608 -6.002 1.00 0.00 1CDR1079
+ATOM 869 1HD2 ASN 57 -14.996 9.913 -5.646 1.00 0.00 1CDR1080
+ATOM 870 2HD2 ASN 57 -13.870 10.057 -4.384 1.00 0.00 1CDR1081
+ATOM 871 N GLU 58 -9.634 12.378 -6.445 1.00 0.00 1CDR1082
+ATOM 872 CA GLU 58 -8.601 12.856 -7.407 1.00 0.00 1CDR1083
+ATOM 873 C GLU 58 -7.306 12.066 -7.207 1.00 0.00 1CDR1084
+ATOM 874 O GLU 58 -6.557 12.308 -6.281 1.00 0.00 1CDR1085
+ATOM 875 CB GLU 58 -8.331 14.343 -7.166 1.00 0.00 1CDR1086
+ATOM 876 CG GLU 58 -9.237 15.180 -8.071 1.00 0.00 1CDR1087
+ATOM 877 CD GLU 58 -8.467 15.588 -9.328 1.00 0.00 1CDR1088
+ATOM 878 OE1 GLU 58 -7.292 15.267 -9.409 1.00 0.00 1CDR1089
+ATOM 879 OE2 GLU 58 -9.064 16.213 -10.188 1.00 0.00 1CDR1090
+ATOM 880 H GLU 58 -10.028 13.001 -5.800 1.00 0.00 1CDR1091
+ATOM 881 HA GLU 58 -8.956 12.714 -8.417 1.00 0.00 1CDR1092
+ATOM 882 1HB GLU 58 -8.533 14.582 -6.132 1.00 0.00 1CDR1093
+ATOM 883 2HB GLU 58 -7.298 14.563 -7.393 1.00 0.00 1CDR1094
+ATOM 884 1HG GLU 58 -10.103 14.597 -8.351 1.00 0.00 1CDR1095
+ATOM 885 2HG GLU 58 -9.554 16.066 -7.542 1.00 0.00 1CDR1096
+ATOM 886 N LEU 59 -7.034 11.125 -8.070 1.00 0.00 1CDR1097
+ATOM 887 CA LEU 59 -5.785 10.324 -7.929 1.00 0.00 1CDR1098
+ATOM 888 C LEU 59 -5.609 9.430 -9.159 1.00 0.00 1CDR1099
+ATOM 889 O LEU 59 -6.543 9.180 -9.896 1.00 0.00 1CDR1100
+ATOM 890 CB LEU 59 -5.871 9.455 -6.671 1.00 0.00 1CDR1101
+ATOM 891 CG LEU 59 -6.838 8.295 -6.913 1.00 0.00 1CDR1102
+ATOM 892 CD1 LEU 59 -6.065 7.095 -7.466 1.00 0.00 1CDR1103
+ATOM 893 CD2 LEU 59 -7.505 7.906 -5.593 1.00 0.00 1CDR1104
+ATOM 894 H LEU 59 -7.649 10.947 -8.811 1.00 0.00 1CDR1105
+ATOM 895 HA LEU 59 -4.939 10.991 -7.846 1.00 0.00 1CDR1106
+ATOM 896 1HB LEU 59 -4.891 9.066 -6.435 1.00 0.00 1CDR1107
+ATOM 897 2HB LEU 59 -6.230 10.052 -5.846 1.00 0.00 1CDR1108
+ATOM 898 HG LEU 59 -7.591 8.597 -7.626 1.00 0.00 1CDR1109
+ATOM 899 1HD1 LEU 59 -5.133 7.434 -7.892 1.00 0.00 1CDR1110
+ATOM 900 2HD1 LEU 59 -5.864 6.398 -6.666 1.00 0.00 1CDR1111
+ATOM 901 3HD1 LEU 59 -6.654 6.609 -8.228 1.00 0.00 1CDR1112
+ATOM 902 1HD2 LEU 59 -6.759 7.853 -4.814 1.00 0.00 1CDR1113
+ATOM 903 2HD2 LEU 59 -8.246 8.646 -5.332 1.00 0.00 1CDR1114
+ATOM 904 3HD2 LEU 59 -7.981 6.942 -5.701 1.00 0.00 1CDR1115
+ATOM 905 N THR 60 -4.419 8.946 -9.386 1.00 0.00 1CDR1116
+ATOM 906 CA THR 60 -4.184 8.067 -10.568 1.00 0.00 1CDR1117
+ATOM 907 C THR 60 -3.628 6.722 -10.096 1.00 0.00 1CDR1118
+ATOM 908 O THR 60 -2.432 6.522 -10.030 1.00 0.00 1CDR1119
+ATOM 909 CB THR 60 -3.180 8.736 -11.509 1.00 0.00 1CDR1120
+ATOM 910 OG1 THR 60 -2.218 9.448 -10.742 1.00 0.00 1CDR1121
+ATOM 911 CG2 THR 60 -3.915 9.702 -12.436 1.00 0.00 1CDR1122
+ATOM 912 H THR 60 -3.679 9.158 -8.779 1.00 0.00 1CDR1123
+ATOM 913 HA THR 60 -5.116 7.908 -11.090 1.00 0.00 1CDR1124
+ATOM 914 HB THR 60 -2.682 7.983 -12.100 1.00 0.00 1CDR1125
+ATOM 915 HG1 THR 60 -1.350 9.260 -11.106 1.00 0.00 1CDR1126
+ATOM 916 1HG2 THR 60 -4.870 9.280 -12.711 1.00 0.00 1CDR1127
+ATOM 917 2HG2 THR 60 -4.070 10.642 -11.927 1.00 0.00 1CDR1128
+ATOM 918 3HG2 THR 60 -3.324 9.867 -13.325 1.00 0.00 1CDR1129
+ATOM 919 N TYR 61 -4.489 5.799 -9.763 1.00 0.00 1CDR1130
+ATOM 920 CA TYR 61 -4.011 4.469 -9.290 1.00 0.00 1CDR1131
+ATOM 921 C TYR 61 -3.515 3.643 -10.481 1.00 0.00 1CDR1132
+ATOM 922 O TYR 61 -4.179 3.535 -11.493 1.00 0.00 1CDR1133
+ATOM 923 CB TYR 61 -5.161 3.732 -8.600 1.00 0.00 1CDR1134
+ATOM 924 CG TYR 61 -6.167 3.284 -9.633 1.00 0.00 1CDR1135
+ATOM 925 CD1 TYR 61 -5.965 2.088 -10.334 1.00 0.00 1CDR1136
+ATOM 926 CD2 TYR 61 -7.302 4.063 -9.890 1.00 0.00 1CDR1137
+ATOM 927 CE1 TYR 61 -6.897 1.672 -11.292 1.00 0.00 1CDR1138
+ATOM 928 CE2 TYR 61 -8.234 3.646 -10.849 1.00 0.00 1CDR1139
+ATOM 929 CZ TYR 61 -8.032 2.451 -11.549 1.00 0.00 1CDR1140
+ATOM 930 OH TYR 61 -8.951 2.041 -12.493 1.00 0.00 1CDR1141
+ATOM 931 H TYR 61 -5.450 5.981 -9.820 1.00 0.00 1CDR1142
+ATOM 932 HA TYR 61 -3.202 4.608 -8.589 1.00 0.00 1CDR1143
+ATOM 933 1HB TYR 61 -4.773 2.871 -8.076 1.00 0.00 1CDR1144
+ATOM 934 2HB TYR 61 -5.641 4.395 -7.896 1.00 0.00 1CDR1145
+ATOM 935 HD1 TYR 61 -5.090 1.488 -10.136 1.00 0.00 1CDR1146
+ATOM 936 HD2 TYR 61 -7.458 4.984 -9.350 1.00 0.00 1CDR1147
+ATOM 937 HE1 TYR 61 -6.741 0.750 -11.832 1.00 0.00 1CDR1148
+ATOM 938 HE2 TYR 61 -9.110 4.246 -11.047 1.00 0.00 1CDR1149
+ATOM 939 HH TYR 61 -8.530 1.381 -13.050 1.00 0.00 1CDR1150
+ATOM 940 N TYR 62 -2.354 3.058 -10.365 1.00 0.00 1CDR1151
+ATOM 941 CA TYR 62 -1.815 2.236 -11.487 1.00 0.00 1CDR1152
+ATOM 942 C TYR 62 -1.484 0.833 -10.974 1.00 0.00 1CDR1153
+ATOM 943 O TYR 62 -0.528 0.636 -10.248 1.00 0.00 1CDR1154
+ATOM 944 CB TYR 62 -0.546 2.894 -12.036 1.00 0.00 1CDR1155
+ATOM 945 CG TYR 62 0.016 2.057 -13.161 1.00 0.00 1CDR1156
+ATOM 946 CD1 TYR 62 -0.533 2.150 -14.445 1.00 0.00 1CDR1157
+ATOM 947 CD2 TYR 62 1.089 1.191 -12.920 1.00 0.00 1CDR1158
+ATOM 948 CE1 TYR 62 -0.010 1.377 -15.489 1.00 0.00 1CDR1159
+ATOM 949 CE2 TYR 62 1.614 0.418 -13.964 1.00 0.00 1CDR1160
+ATOM 950 CZ TYR 62 1.064 0.511 -15.248 1.00 0.00 1CDR1161
+ATOM 951 OH TYR 62 1.583 -0.250 -16.277 1.00 0.00 1CDR1162
+ATOM 952 H TYR 62 -1.836 3.158 -9.538 1.00 0.00 1CDR1163
+ATOM 953 HA TYR 62 -2.555 2.169 -12.272 1.00 0.00 1CDR1164
+ATOM 954 1HB TYR 62 -0.783 3.880 -12.407 1.00 0.00 1CDR1165
+ATOM 955 2HB TYR 62 0.188 2.974 -11.249 1.00 0.00 1CDR1166
+ATOM 956 HD1 TYR 62 -1.363 2.817 -14.631 1.00 0.00 1CDR1167
+ATOM 957 HD2 TYR 62 1.513 1.120 -11.929 1.00 0.00 1CDR1168
+ATOM 958 HE1 TYR 62 -0.434 1.448 -16.479 1.00 0.00 1CDR1169
+ATOM 959 HE2 TYR 62 2.441 -0.249 -13.777 1.00 0.00 1CDR1170
+ATOM 960 HH TYR 62 1.547 0.274 -17.081 1.00 0.00 1CDR1171
+ATOM 961 N CYS 63 -2.270 -0.145 -11.338 1.00 0.00 1CDR1172
+ATOM 962 CA CYS 63 -2.001 -1.533 -10.866 1.00 0.00 1CDR1173
+ATOM 963 C CYS 63 -0.921 -2.173 -11.738 1.00 0.00 1CDR1174
+ATOM 964 O CYS 63 -0.731 -1.804 -12.880 1.00 0.00 1CDR1175
+ATOM 965 CB CYS 63 -3.284 -2.362 -10.958 1.00 0.00 1CDR1176
+ATOM 966 SG CYS 63 -3.976 -2.589 -9.301 1.00 0.00 1CDR1177
+ATOM 967 H CYS 63 -3.038 0.033 -11.919 1.00 0.00 1CDR1178
+ATOM 968 HA CYS 63 -1.665 -1.506 -9.842 1.00 0.00 1CDR1179
+ATOM 969 1HB CYS 63 -4.001 -1.849 -11.581 1.00 0.00 1CDR1180
+ATOM 970 2HB CYS 63 -3.058 -3.327 -11.389 1.00 0.00 1CDR1181
+ATOM 971 N CYS 64 -0.212 -3.132 -11.208 1.00 0.00 1CDR1182
+ATOM 972 CA CYS 64 0.854 -3.799 -12.006 1.00 0.00 1CDR1183
+ATOM 973 C CYS 64 0.930 -5.279 -11.623 1.00 0.00 1CDR1184
+ATOM 974 O CYS 64 0.276 -5.724 -10.701 1.00 0.00 1CDR1185
+ATOM 975 CB CYS 64 2.200 -3.130 -11.721 1.00 0.00 1CDR1186
+ATOM 976 SG CYS 64 3.221 -3.160 -13.215 1.00 0.00 1CDR1187
+ATOM 977 H CYS 64 -0.385 -3.413 -10.283 1.00 0.00 1CDR1188
+ATOM 978 HA CYS 64 0.625 -3.711 -13.058 1.00 0.00 1CDR1189
+ATOM 979 1HB CYS 64 2.035 -2.106 -11.417 1.00 0.00 1CDR1190
+ATOM 980 2HB CYS 64 2.704 -3.663 -10.930 1.00 0.00 1CDR1191
+ATOM 981 N LYS 65 1.724 -6.046 -12.321 1.00 0.00 1CDR1192
+ATOM 982 CA LYS 65 1.836 -7.495 -11.991 1.00 0.00 1CDR1193
+ATOM 983 C LYS 65 3.304 -7.927 -12.059 1.00 0.00 1CDR1194
+ATOM 984 O LYS 65 3.618 -9.009 -12.512 1.00 0.00 1CDR1195
+ATOM 985 CB LYS 65 1.021 -8.311 -12.996 1.00 0.00 1CDR1196
+ATOM 986 CG LYS 65 -0.457 -7.931 -12.887 1.00 0.00 1CDR1197
+ATOM 987 CD LYS 65 -1.056 -7.802 -14.289 1.00 0.00 1CDR1198
+ATOM 988 CE LYS 65 -0.470 -6.570 -14.983 1.00 0.00 1CDR1199
+ATOM 989 NZ LYS 65 -0.074 -6.923 -16.376 1.00 0.00 1CDR1200
+ATOM 990 H LYS 65 2.244 -5.669 -13.062 1.00 0.00 1CDR1201
+ATOM 991 HA LYS 65 1.456 -7.668 -10.996 1.00 0.00 1CDR1202
+ATOM 992 1HB LYS 65 1.373 -8.107 -13.997 1.00 0.00 1CDR1203
+ATOM 993 2HB LYS 65 1.135 -9.364 -12.783 1.00 0.00 1CDR1204
+ATOM 994 1HG LYS 65 -0.986 -8.696 -12.336 1.00 0.00 1CDR1205
+ATOM 995 2HG LYS 65 -0.548 -6.987 -12.371 1.00 0.00 1CDR1206
+ATOM 996 1HD LYS 65 -0.820 -8.687 -14.864 1.00 0.00 1CDR1207
+ATOM 997 2HD LYS 65 -2.127 -7.696 -14.215 1.00 0.00 1CDR1208
+ATOM 998 1HE LYS 65 -1.212 -5.785 -15.007 1.00 0.00 1CDR1209
+ATOM 999 2HE LYS 65 0.397 -6.229 -14.438 1.00 0.00 1CDR1210
+ATOM 1000 1HZ LYS 65 -0.341 -7.908 -16.573 1.00 0.00 1CDR1211
+ATOM 1001 2HZ LYS 65 -0.561 -6.290 -17.044 1.00 0.00 1CDR1212
+ATOM 1002 3HZ LYS 65 0.954 -6.816 -16.481 1.00 0.00 1CDR1213
+ATOM 1003 N LYS 66 4.204 -7.093 -11.614 1.00 0.00 1CDR1214
+ATOM 1004 CA LYS 66 5.646 -7.467 -11.659 1.00 0.00 1CDR1215
+ATOM 1005 C LYS 66 6.268 -7.294 -10.270 1.00 0.00 1CDR1216
+ATOM 1006 O LYS 66 6.040 -6.310 -9.595 1.00 0.00 1CDR1217
+ATOM 1007 CB LYS 66 6.377 -6.570 -12.661 1.00 0.00 1CDR1218
+ATOM 1008 CG LYS 66 7.042 -7.439 -13.731 1.00 0.00 1CDR1219
+ATOM 1009 CD LYS 66 8.350 -6.785 -14.184 1.00 0.00 1CDR1220
+ATOM 1010 CE LYS 66 8.500 -6.941 -15.699 1.00 0.00 1CDR1221
+ATOM 1011 NZ LYS 66 8.768 -5.610 -16.312 1.00 0.00 1CDR1222
+ATOM 1012 H LYS 66 3.932 -6.224 -11.252 1.00 0.00 1CDR1223
+ATOM 1013 HA LYS 66 5.739 -8.498 -11.967 1.00 0.00 1CDR1224
+ATOM 1014 1HB LYS 66 5.668 -5.902 -13.128 1.00 0.00 1CDR1225
+ATOM 1015 2HB LYS 66 7.131 -5.993 -12.146 1.00 0.00 1CDR1226
+ATOM 1016 1HG LYS 66 7.252 -8.416 -13.321 1.00 0.00 1CDR1227
+ATOM 1017 2HG LYS 66 6.381 -7.539 -14.578 1.00 0.00 1CDR1228
+ATOM 1018 1HD LYS 66 8.335 -5.736 -13.929 1.00 0.00 1CDR1229
+ATOM 1019 2HD LYS 66 9.182 -7.265 -13.692 1.00 0.00 1CDR1230
+ATOM 1020 1HE LYS 66 9.321 -7.608 -15.913 1.00 0.00 1CDR1231
+ATOM 1021 2HE LYS 66 7.588 -7.350 -16.110 1.00 0.00 1CDR1232
+ATOM 1022 1HZ LYS 66 9.266 -5.005 -15.628 1.00 0.00 1CDR1233
+ATOM 1023 2HZ LYS 66 9.357 -5.731 -17.161 1.00 0.00 1CDR1234
+ATOM 1024 3HZ LYS 66 7.868 -5.160 -16.576 1.00 0.00 1CDR1235
+ATOM 1025 N ASP 67 7.054 -8.245 -9.843 1.00 0.00 1CDR1236
+ATOM 1026 CA ASP 67 7.696 -8.141 -8.502 1.00 0.00 1CDR1237
+ATOM 1027 C ASP 67 8.270 -6.735 -8.321 1.00 0.00 1CDR1238
+ATOM 1028 O ASP 67 9.352 -6.434 -8.781 1.00 0.00 1CDR1239
+ATOM 1029 CB ASP 67 8.822 -9.172 -8.395 1.00 0.00 1CDR1240
+ATOM 1030 CG ASP 67 8.231 -10.581 -8.471 1.00 0.00 1CDR1241
+ATOM 1031 OD1 ASP 67 7.101 -10.751 -8.044 1.00 0.00 1CDR1242
+ATOM 1032 OD2 ASP 67 8.918 -11.466 -8.953 1.00 0.00 1CDR1243
+ATOM 1033 H ASP 67 7.225 -9.029 -10.406 1.00 0.00 1CDR1244
+ATOM 1034 HA ASP 67 6.961 -8.331 -7.731 1.00 0.00 1CDR1245
+ATOM 1035 1HB ASP 67 9.519 -9.028 -9.208 1.00 0.00 1CDR1246
+ATOM 1036 2HB ASP 67 9.335 -9.049 -7.454 1.00 0.00 1CDR1247
+ATOM 1037 N LEU 68 7.547 -5.878 -7.653 1.00 0.00 1CDR1248
+ATOM 1038 CA LEU 68 8.030 -4.486 -7.426 1.00 0.00 1CDR1249
+ATOM 1039 C LEU 68 7.794 -3.651 -8.685 1.00 0.00 1CDR1250
+ATOM 1040 O LEU 68 8.718 -3.271 -9.376 1.00 0.00 1CDR1251
+ATOM 1041 CB LEU 68 9.522 -4.490 -7.078 1.00 0.00 1CDR1252
+ATOM 1042 CG LEU 68 9.799 -5.553 -6.011 1.00 0.00 1CDR1253
+ATOM 1043 CD1 LEU 68 11.278 -5.943 -6.050 1.00 0.00 1CDR1254
+ATOM 1044 CD2 LEU 68 9.460 -4.986 -4.629 1.00 0.00 1CDR1255
+ATOM 1045 H LEU 68 6.678 -6.151 -7.295 1.00 0.00 1CDR1256
+ATOM 1046 HA LEU 68 7.475 -4.054 -6.608 1.00 0.00 1CDR1257
+ATOM 1047 1HB LEU 68 10.101 -4.705 -7.963 1.00 0.00 1CDR1258
+ATOM 1048 2HB LEU 68 9.801 -3.520 -6.694 1.00 0.00 1CDR1259
+ATOM 1049 HG LEU 68 9.192 -6.425 -6.203 1.00 0.00 1CDR1260
+ATOM 1050 1HD1 LEU 68 11.574 -6.127 -7.071 1.00 0.00 1CDR1261
+ATOM 1051 2HD1 LEU 68 11.872 -5.138 -5.641 1.00 0.00 1CDR1262
+ATOM 1052 3HD1 LEU 68 11.430 -6.836 -5.464 1.00 0.00 1CDR1263
+ATOM 1053 1HD2 LEU 68 9.160 -3.954 -4.727 1.00 0.00 1CDR1264
+ATOM 1054 2HD2 LEU 68 8.651 -5.557 -4.195 1.00 0.00 1CDR1265
+ATOM 1055 3HD2 LEU 68 10.329 -5.051 -3.990 1.00 0.00 1CDR1266
+ATOM 1056 N CYS 69 6.558 -3.358 -8.981 1.00 0.00 1CDR1267
+ATOM 1057 CA CYS 69 6.244 -2.542 -10.185 1.00 0.00 1CDR1268
+ATOM 1058 C CYS 69 5.420 -1.324 -9.757 1.00 0.00 1CDR1269
+ATOM 1059 O CYS 69 4.885 -0.599 -10.573 1.00 0.00 1CDR1270
+ATOM 1060 CB CYS 69 5.440 -3.393 -11.173 1.00 0.00 1CDR1271
+ATOM 1061 SG CYS 69 4.997 -2.400 -12.620 1.00 0.00 1CDR1272
+ATOM 1062 H CYS 69 5.832 -3.673 -8.403 1.00 0.00 1CDR1273
+ATOM 1063 HA CYS 69 7.163 -2.214 -10.650 1.00 0.00 1CDR1274
+ATOM 1064 1HB CYS 69 6.037 -4.237 -11.486 1.00 0.00 1CDR1275
+ATOM 1065 2HB CYS 69 4.543 -3.748 -10.690 1.00 0.00 1CDR1276
+ATOM 1066 N ASN 70 5.314 -1.096 -8.475 1.00 0.00 1CDR1277
+ATOM 1067 CA ASN 70 4.528 0.068 -7.979 1.00 0.00 1CDR1278
+ATOM 1068 C ASN 70 5.496 1.187 -7.560 1.00 0.00 1CDR1279
+ATOM 1069 O ASN 70 5.091 2.212 -7.049 1.00 0.00 1CDR1280
+ATOM 1070 CB ASN 70 3.658 -0.399 -6.791 1.00 0.00 1CDR1281
+ATOM 1071 CG ASN 70 3.692 0.608 -5.635 1.00 0.00 1CDR1282
+ATOM 1072 OD1 ASN 70 2.804 1.426 -5.497 1.00 0.00 1CDR1283
+ATOM 1073 ND2 ASN 70 4.690 0.581 -4.794 1.00 0.00 1CDR1284
+ATOM 1074 H ASN 70 5.754 -1.692 -7.834 1.00 0.00 1CDR1285
+ATOM 1075 HA ASN 70 3.889 0.429 -8.771 1.00 0.00 1CDR1286
+ATOM 1076 1HB ASN 70 2.638 -0.516 -7.125 1.00 0.00 1CDR1287
+ATOM 1077 2HB ASN 70 4.024 -1.353 -6.440 1.00 0.00 1CDR1288
+ATOM 1078 1HD2 ASN 70 4.724 1.218 -4.051 1.00 0.00 1CDR1289
+ATOM 1079 2HD2 ASN 70 5.407 -0.079 -4.906 1.00 0.00 1CDR1290
+ATOM 1080 N PHE 71 6.770 0.997 -7.776 1.00 0.00 1CDR1291
+ATOM 1081 CA PHE 71 7.755 2.046 -7.393 1.00 0.00 1CDR1292
+ATOM 1082 C PHE 71 7.321 3.391 -7.976 1.00 0.00 1CDR1293
+ATOM 1083 O PHE 71 6.310 3.494 -8.641 1.00 0.00 1CDR1294
+ATOM 1084 CB PHE 71 9.131 1.672 -7.945 1.00 0.00 1CDR1295
+ATOM 1085 CG PHE 71 8.973 1.082 -9.325 1.00 0.00 1CDR1296
+ATOM 1086 CD1 PHE 71 8.531 1.887 -10.383 1.00 0.00 1CDR1297
+ATOM 1087 CD2 PHE 71 9.266 -0.267 -9.549 1.00 0.00 1CDR1298
+ATOM 1088 CE1 PHE 71 8.382 1.342 -11.664 1.00 0.00 1CDR1299
+ATOM 1089 CE2 PHE 71 9.117 -0.813 -10.830 1.00 0.00 1CDR1300
+ATOM 1090 CZ PHE 71 8.675 -0.009 -11.887 1.00 0.00 1CDR1301
+ATOM 1091 H PHE 71 7.079 0.167 -8.193 1.00 0.00 1CDR1302
+ATOM 1092 HA PHE 71 7.805 2.117 -6.316 1.00 0.00 1CDR1303
+ATOM 1093 1HB PHE 71 9.750 2.556 -7.998 1.00 0.00 1CDR1304
+ATOM 1094 2HB PHE 71 9.596 0.946 -7.295 1.00 0.00 1CDR1305
+ATOM 1095 HD1 PHE 71 8.305 2.928 -10.210 1.00 0.00 1CDR1306
+ATOM 1096 HD2 PHE 71 9.606 -0.888 -8.733 1.00 0.00 1CDR1307
+ATOM 1097 HE1 PHE 71 8.041 1.963 -12.478 1.00 0.00 1CDR1308
+ATOM 1098 HE2 PHE 71 9.343 -1.855 -11.002 1.00 0.00 1CDR1309
+ATOM 1099 HZ PHE 71 8.560 -0.430 -12.875 1.00 0.00 1CDR1310
+ATOM 1100 N ASN 72 8.082 4.426 -7.736 1.00 0.00 1CDR1311
+ATOM 1101 CA ASN 72 7.715 5.763 -8.281 1.00 0.00 1CDR1312
+ATOM 1102 C ASN 72 8.335 5.926 -9.669 1.00 0.00 1CDR1313
+ATOM 1103 O ASN 72 9.180 6.770 -9.889 1.00 0.00 1CDR1314
+ATOM 1104 CB ASN 72 8.241 6.859 -7.350 1.00 0.00 1CDR1315
+ATOM 1105 CG ASN 72 9.768 6.799 -7.297 1.00 0.00 1CDR1316
+ATOM 1106 OD1 ASN 72 10.371 5.878 -7.814 1.00 0.00 1CDR1317
+ATOM 1107 ND2 ASN 72 10.426 7.750 -6.693 1.00 0.00 1CDR1318
+ATOM 1108 H ASN 72 8.896 4.321 -7.201 1.00 0.00 1CDR1319
+ATOM 1109 HA ASN 72 6.640 5.837 -8.357 1.00 0.00 1CDR1320
+ATOM 1110 1HB ASN 72 7.929 7.825 -7.721 1.00 0.00 1CDR1321
+ATOM 1111 2HB ASN 72 7.843 6.708 -6.357 1.00 0.00 1CDR1322
+ATOM 1112 1HD2 ASN 72 11.405 7.721 -6.652 1.00 0.00 1CDR1323
+ATOM 1113 2HD2 ASN 72 9.941 8.494 -6.278 1.00 0.00 1CDR1324
+ATOM 1114 N GLU 73 7.922 5.119 -10.606 1.00 0.00 1CDR1325
+ATOM 1115 CA GLU 73 8.486 5.217 -11.980 1.00 0.00 1CDR1326
+ATOM 1116 C GLU 73 7.496 4.614 -12.978 1.00 0.00 1CDR1327
+ATOM 1117 O GLU 73 7.844 3.765 -13.774 1.00 0.00 1CDR1328
+ATOM 1118 CB GLU 73 9.805 4.445 -12.044 1.00 0.00 1CDR1329
+ATOM 1119 CG GLU 73 10.348 4.474 -13.473 1.00 0.00 1CDR1330
+ATOM 1120 CD GLU 73 10.613 3.044 -13.946 1.00 0.00 1CDR1331
+ATOM 1121 OE1 GLU 73 9.659 2.292 -14.059 1.00 0.00 1CDR1332
+ATOM 1122 OE2 GLU 73 11.766 2.725 -14.183 1.00 0.00 1CDR1333
+ATOM 1123 H GLU 73 7.240 4.444 -10.404 1.00 0.00 1CDR1334
+ATOM 1124 HA GLU 73 8.661 6.254 -12.226 1.00 0.00 1CDR1335
+ATOM 1125 1HB GLU 73 10.521 4.901 -11.375 1.00 0.00 1CDR1336
+ATOM 1126 2HB GLU 73 9.635 3.421 -11.747 1.00 0.00 1CDR1337
+ATOM 1127 1HG GLU 73 9.622 4.941 -14.124 1.00 0.00 1CDR1338
+ATOM 1128 2HG GLU 73 11.269 5.037 -13.497 1.00 0.00 1CDR1339
+ATOM 1129 N GLN 74 6.263 5.040 -12.940 1.00 0.00 1CDR1340
+ATOM 1130 CA GLN 74 5.257 4.482 -13.886 1.00 0.00 1CDR1341
+ATOM 1131 C GLN 74 4.066 5.436 -13.993 1.00 0.00 1CDR1342
+ATOM 1132 O GLN 74 2.962 5.031 -14.298 1.00 0.00 1CDR1343
+ATOM 1133 CB GLN 74 4.780 3.124 -13.368 1.00 0.00 1CDR1344
+ATOM 1134 CG GLN 74 4.611 2.158 -14.542 1.00 0.00 1CDR1345
+ATOM 1135 CD GLN 74 5.687 1.074 -14.468 1.00 0.00 1CDR1346
+ATOM 1136 OE1 GLN 74 6.838 1.359 -14.200 1.00 0.00 1CDR1347
+ATOM 1137 NE2 GLN 74 5.360 -0.169 -14.695 1.00 0.00 1CDR1348
+ATOM 1138 H GLN 74 6.000 5.723 -12.287 1.00 0.00 1CDR1349
+ATOM 1139 HA GLN 74 5.708 4.358 -14.858 1.00 0.00 1CDR1350
+ATOM 1140 1HB GLN 74 5.509 2.727 -12.677 1.00 0.00 1CDR1351
+ATOM 1141 2HB GLN 74 3.833 3.243 -12.864 1.00 0.00 1CDR1352
+ATOM 1142 1HG GLN 74 3.633 1.701 -14.494 1.00 0.00 1CDR1353
+ATOM 1143 2HG GLN 74 4.710 2.699 -15.471 1.00 0.00 1CDR1354
+ATOM 1144 1HE2 GLN 74 6.041 -0.871 -14.649 1.00 0.00 1CDR1355
+ATOM 1145 2HE2 GLN 74 4.432 -0.400 -14.910 1.00 0.00 1CDR1356
+ATOM 1146 N LEU 75 4.279 6.700 -13.747 1.00 0.00 1CDR1357
+ATOM 1147 CA LEU 75 3.155 7.674 -13.837 1.00 0.00 1CDR1358
+ATOM 1148 C LEU 75 3.688 9.025 -14.322 1.00 0.00 1CDR1359
+ATOM 1149 O LEU 75 3.074 10.053 -14.119 1.00 0.00 1CDR1360
+ATOM 1150 CB LEU 75 2.512 7.843 -12.458 1.00 0.00 1CDR1361
+ATOM 1151 CG LEU 75 1.473 6.743 -12.241 1.00 0.00 1CDR1362
+ATOM 1152 CD1 LEU 75 1.586 6.207 -10.812 1.00 0.00 1CDR1363
+ATOM 1153 CD2 LEU 75 0.071 7.317 -12.459 1.00 0.00 1CDR1364
+ATOM 1154 H LEU 75 5.176 7.008 -13.504 1.00 0.00 1CDR1365
+ATOM 1155 HA LEU 75 2.417 7.308 -14.535 1.00 0.00 1CDR1366
+ATOM 1156 1HB LEU 75 3.275 7.776 -11.696 1.00 0.00 1CDR1367
+ATOM 1157 2HB LEU 75 2.030 8.807 -12.401 1.00 0.00 1CDR1368
+ATOM 1158 HG LEU 75 1.647 5.939 -12.940 1.00 0.00 1CDR1369
+ATOM 1159 1HD1 LEU 75 2.078 6.940 -10.191 1.00 0.00 1CDR1370
+ATOM 1160 2HD1 LEU 75 0.598 6.008 -10.423 1.00 0.00 1CDR1371
+ATOM 1161 3HD1 LEU 75 2.162 5.293 -10.817 1.00 0.00 1CDR1372
+ATOM 1162 1HD2 LEU 75 0.051 8.349 -12.145 1.00 0.00 1CDR1373
+ATOM 1163 2HD2 LEU 75 -0.183 7.254 -13.507 1.00 0.00 1CDR1374
+ATOM 1164 3HD2 LEU 75 -0.644 6.750 -11.881 1.00 0.00 1CDR1375
+ATOM 1165 N GLU 76 4.826 9.030 -14.962 1.00 0.00 1CDR1376
+ATOM 1166 CA GLU 76 5.396 10.315 -15.457 1.00 0.00 1CDR1377
+ATOM 1167 C GLU 76 5.552 10.254 -16.978 1.00 0.00 1CDR1378
+ATOM 1168 O GLU 76 6.612 9.957 -17.491 1.00 0.00 1CDR1379
+ATOM 1169 CB GLU 76 6.764 10.548 -14.813 1.00 0.00 1CDR1380
+ATOM 1170 CG GLU 76 6.689 11.757 -13.879 1.00 0.00 1CDR1381
+ATOM 1171 CD GLU 76 6.809 13.043 -14.697 1.00 0.00 1CDR1382
+ATOM 1172 OE1 GLU 76 6.196 13.111 -15.750 1.00 0.00 1CDR1383
+ATOM 1173 OE2 GLU 76 7.509 13.940 -14.257 1.00 0.00 1CDR1384
+ATOM 1174 H GLU 76 5.306 8.189 -15.115 1.00 0.00 1CDR1385
+ATOM 1175 HA GLU 76 4.732 11.127 -15.196 1.00 0.00 1CDR1386
+ATOM 1176 1HB GLU 76 7.050 9.672 -14.248 1.00 0.00 1CDR1387
+ATOM 1177 2HB GLU 76 7.497 10.736 -15.583 1.00 0.00 1CDR1388
+ATOM 1178 1HG GLU 76 5.745 11.748 -13.353 1.00 0.00 1CDR1389
+ATOM 1179 2HG GLU 76 7.498 11.711 -13.165 1.00 0.00 1CDR1390
+ATOM 1180 N ASN 77 4.503 10.533 -17.704 1.00 0.00 1CDR1391
+ATOM 1181 CA ASN 77 4.593 10.492 -19.191 1.00 0.00 1CDR1392
+ATOM 1182 C ASN 77 5.106 11.837 -19.710 1.00 0.00 1CDR1393
+ATOM 1183 O ASN 77 5.649 12.589 -18.917 1.00 0.00 1CDR1394
+ATOM 1184 CB ASN 77 3.207 10.214 -19.779 1.00 0.00 1CDR1395
+ATOM 1185 CG ASN 77 2.324 11.451 -19.613 1.00 0.00 1CDR1396
+ATOM 1186 OD1 ASN 77 1.931 11.788 -18.514 1.00 0.00 1CDR1397
+ATOM 1187 ND2 ASN 77 1.992 12.147 -20.666 1.00 0.00 1CDR1398
+ATOM 1188 OXT ASN 77 4.947 12.093 -20.893 1.00 0.00 1CDR1399
+ATOM 1189 H ASN 77 3.657 10.771 -17.271 1.00 0.00 1CDR1400
+ATOM 1190 HA ASN 77 5.274 9.708 -19.489 1.00 0.00 1CDR1401
+ATOM 1191 1HB ASN 77 3.303 9.976 -20.829 1.00 0.00 1CDR1402
+ATOM 1192 2HB ASN 77 2.757 9.380 -19.261 1.00 0.00 1CDR1403
+ATOM 1193 1HD2 ASN 77 1.427 12.942 -20.570 1.00 0.00 1CDR1404
+ATOM 1194 2HD2 ASN 77 2.308 11.874 -21.553 1.00 0.00 1CDR1405
+TER 1195 ASN 77 1CDR1406
+HETATM 1196 C1 NAG 78 9.280 -12.572 -0.027 1.00 0.00 1 1CDR1407
+HETATM 1197 C2 NAG 78 10.626 -11.984 0.376 1.00 0.00 1 1CDR1408
+HETATM 1198 C3 NAG 78 11.731 -12.819 -0.242 1.00 0.00 1 1CDR1409
+HETATM 1199 C4 NAG 78 11.586 -14.243 0.256 1.00 0.00 1 1CDR1410
+HETATM 1200 C5 NAG 78 10.213 -14.769 -0.156 1.00 0.00 1 1CDR1411
+HETATM 1201 C6 NAG 78 9.962 -16.192 0.300 1.00 0.00 1 1CDR1412
+HETATM 1202 C7 NAG 78 10.565 -9.630 0.765 1.00 0.00 1 1CDR1413
+HETATM 1203 C8 NAG 78 10.689 -8.218 0.220 1.00 0.00 1 1CDR1414
+HETATM 1204 N2 NAG 78 10.730 -10.612 -0.077 1.00 0.00 1 1CDR1415
+HETATM 1205 O3 NAG 78 12.999 -12.294 0.122 1.00 0.00 1 1CDR1416
+HETATM 1206 O4 NAG 78 12.629 -15.068 -0.309 1.00 0.00 1 1CDR1417
+HETATM 1207 O5 NAG 78 9.177 -13.936 0.414 1.00 0.00 1 1CDR1418
+HETATM 1208 O6 NAG 78 10.183 -17.104 -0.793 1.00 0.00 1 1CDR1419
+HETATM 1209 O7 NAG 78 10.323 -9.840 1.937 1.00 0.00 1 1CDR1420
+HETATM 1210 H1 NAG 78 9.180 -12.570 -1.123 1.00 0.00 1 1CDR1421
+HETATM 1211 H2 NAG 78 10.719 -12.023 1.471 1.00 0.00 1 1CDR1422
+HETATM 1212 H3 NAG 78 11.617 -12.809 -1.336 1.00 0.00 1 1CDR1423
+HETATM 1213 H4 NAG 78 11.646 -14.241 1.351 1.00 0.00 1 1CDR1424
+HETATM 1214 H5 NAG 78 10.119 -14.718 -1.250 1.00 0.00 1 1CDR1425
+HETATM 1215 1H6 NAG 78 8.927 -16.276 0.662 1.00 0.00 1 1CDR1426
+HETATM 1216 2H6 NAG 78 10.638 -16.428 1.134 1.00 0.00 1 1CDR1427
+HETATM 1217 1H8 NAG 78 11.047 -7.537 1.005 1.00 0.00 1 1CDR1428
+HETATM 1218 2H8 NAG 78 9.713 -7.860 -0.136 1.00 0.00 1 1CDR1429
+HETATM 1219 3H8 NAG 78 11.399 -8.192 -0.618 1.00 0.00 1 1CDR1430
+HETATM 1220 HN2 NAG 78 10.927 -10.422 -1.018 1.00 0.00 1 1CDR1431
+HETATM 1221 HO3 NAG 78 13.194 -11.526 -0.419 1.00 0.00 1 1CDR1432
+HETATM 1222 C1 NAG 79 13.338 -15.890 0.561 1.00 0.00 1CDR1433
+HETATM 1223 C2 NAG 79 14.807 -15.912 0.159 1.00 0.00 1CDR1434
+HETATM 1224 C3 NAG 79 15.564 -16.801 1.130 1.00 0.00 1CDR1435
+HETATM 1225 C4 NAG 79 15.385 -16.236 2.528 1.00 0.00 1CDR1436
+HETATM 1226 C5 NAG 79 13.897 -16.207 2.862 1.00 0.00 1CDR1437
+HETATM 1227 C6 NAG 79 13.607 -15.641 4.238 1.00 0.00 1CDR1438
+HETATM 1228 C7 NAG 79 14.639 -15.649 -2.207 1.00 0.00 1CDR1439
+HETATM 1229 C8 NAG 79 14.810 -16.231 -3.600 1.00 0.00 1CDR1440
+HETATM 1230 N2 NAG 79 14.948 -16.412 -1.195 1.00 0.00 1CDR1441
+HETATM 1231 O3 NAG 79 16.942 -16.835 0.785 1.00 0.00 1CDR1442
+HETATM 1232 O4 NAG 79 16.082 -17.041 3.468 1.00 0.00 1CDR1443
+HETATM 1233 O5 NAG 79 13.191 -15.390 1.900 1.00 0.00 1CDR1444
+HETATM 1234 O6 NAG 79 13.463 -14.229 4.195 1.00 0.00 1CDR1445
+HETATM 1235 O7 NAG 79 14.232 -14.516 -2.039 1.00 0.00 1CDR1446
+HETATM 1236 H1 NAG 79 12.922 -16.910 0.538 1.00 0.00 1CDR1447
+HETATM 1237 H2 NAG 79 15.209 -14.892 0.221 1.00 0.00 1CDR1448
+HETATM 1238 H3 NAG 79 15.140 -17.813 1.096 1.00 0.00 1CDR1449
+HETATM 1239 H4 NAG 79 15.774 -15.209 2.550 1.00 0.00 1CDR1450
+HETATM 1240 H5 NAG 79 13.491 -17.226 2.796 1.00 0.00 1CDR1451
+HETATM 1241 1H6 NAG 79 14.430 -15.914 4.913 1.00 0.00 1CDR1452
+HETATM 1242 2H6 NAG 79 12.687 -16.101 4.623 1.00 0.00 1CDR1453
+HETATM 1243 1H8 NAG 79 13.830 -16.383 -4.073 1.00 0.00 1CDR1454
+HETATM 1244 2H8 NAG 79 15.327 -17.199 -3.548 1.00 0.00 1CDR1455
+HETATM 1245 3H8 NAG 79 15.401 -15.550 -4.228 1.00 0.00 1CDR1456
+HETATM 1246 HN2 NAG 79 15.276 -17.323 -1.350 1.00 0.00 1CDR1457
+HETATM 1247 HO4 NAG 79 16.716 -16.499 3.942 1.00 0.00 1CDR1458
+HETATM 1248 HO3 NAG 79 17.426 -16.226 1.350 1.00 0.00 1CDR1459
+HETATM 1249 HO6 NAG 79 13.557 -13.872 5.080 1.00 0.00 1CDR1460
+HETATM 1250 C1 FUC 80 10.360 -18.417 -0.344 1.00 0.00 1CDR1461
+HETATM 1251 C2 FUC 80 9.183 -19.263 -0.811 1.00 0.00 1CDR1462
+HETATM 1252 C3 FUC 80 9.182 -19.311 -2.331 1.00 0.00 1CDR1463
+HETATM 1253 C4 FUC 80 10.503 -19.911 -2.785 1.00 0.00 1CDR1464
+HETATM 1254 C5 FUC 80 11.644 -19.042 -2.266 1.00 0.00 1CDR1465
+HETATM 1255 C6 FUC 80 13.014 -19.573 -2.642 1.00 0.00 1CDR1466
+HETATM 1256 O2 FUC 80 7.967 -18.701 -0.341 1.00 0.00 1CDR1467
+HETATM 1257 O3 FUC 80 8.093 -20.098 -2.794 1.00 0.00 1CDR1468
+HETATM 1258 O4 FUC 80 10.630 -21.236 -2.287 1.00 0.00 1CDR1469
+HETATM 1259 O5 FUC 80 11.582 -18.973 -0.826 1.00 0.00 1CDR1470
+HETATM 1260 H1 FUC 80 10.413 -18.424 0.757 1.00 0.00 1CDR1471
+HETATM 1261 H2 FUC 80 9.301 -20.285 -0.423 1.00 0.00 1CDR1472
+HETATM 1262 H3 FUC 80 9.103 -18.286 -2.720 1.00 0.00 1CDR1473
+HETATM 1263 H4 FUC 80 10.532 -19.918 -3.884 1.00 0.00 1CDR1474
+HETATM 1264 H5 FUC 80 11.531 -18.021 -2.657 1.00 0.00 1CDR1475
+HETATM 1265 1H6 FUC 80 12.964 -20.660 -2.798 1.00 0.00 1CDR1476
+HETATM 1266 2H6 FUC 80 13.732 -19.358 -1.838 1.00 0.00 1CDR1477
+HETATM 1267 3H6 FUC 80 13.360 -19.094 -3.569 1.00 0.00 1CDR1478
+HETATM 1268 HO2 FUC 80 7.782 -17.893 -0.824 1.00 0.00 1CDR1479
+HETATM 1269 HO3 FUC 80 8.425 -20.818 -3.335 1.00 0.00 1CDR1480
+HETATM 1270 HO4 FUC 80 10.641 -21.853 -3.022 1.00 0.00 1CDR1481
+ENDMDL 1CDR1482
+MODEL 2 1CDR1483
+ATOM 1271 N LEU 1 4.716 -11.691 -6.337 1.00 0.00 1CDR1484
+ATOM 1272 CA LEU 1 4.271 -10.287 -6.558 1.00 0.00 1CDR1485
+ATOM 1273 C LEU 1 4.751 -9.411 -5.400 1.00 0.00 1CDR1486
+ATOM 1274 O LEU 1 3.977 -8.984 -4.567 1.00 0.00 1CDR1487
+ATOM 1275 CB LEU 1 2.742 -10.241 -6.630 1.00 0.00 1CDR1488
+ATOM 1276 CG LEU 1 2.311 -9.317 -7.771 1.00 0.00 1CDR1489
+ATOM 1277 CD1 LEU 1 2.738 -7.881 -7.458 1.00 0.00 1CDR1490
+ATOM 1278 CD2 LEU 1 2.971 -9.772 -9.074 1.00 0.00 1CDR1491
+ATOM 1279 1H LEU 1 4.784 -11.877 -5.316 1.00 0.00 1CDR1492
+ATOM 1280 2H LEU 1 4.028 -12.343 -6.765 1.00 0.00 1CDR1493
+ATOM 1281 3H LEU 1 5.648 -11.832 -6.775 1.00 0.00 1CDR1494
+ATOM 1282 HA LEU 1 4.686 -9.919 -7.484 1.00 0.00 1CDR1495
+ATOM 1283 1HB LEU 1 2.361 -11.237 -6.808 1.00 0.00 1CDR1496
+ATOM 1284 2HB LEU 1 2.348 -9.865 -5.698 1.00 0.00 1CDR1497
+ATOM 1285 HG LEU 1 1.235 -9.356 -7.878 1.00 0.00 1CDR1498
+ATOM 1286 1HD1 LEU 1 2.363 -7.598 -6.486 1.00 0.00 1CDR1499
+ATOM 1287 2HD1 LEU 1 3.817 -7.819 -7.460 1.00 0.00 1CDR1500
+ATOM 1288 3HD1 LEU 1 2.337 -7.215 -8.207 1.00 0.00 1CDR1501
+ATOM 1289 1HD2 LEU 1 3.250 -10.813 -8.992 1.00 0.00 1CDR1502
+ATOM 1290 2HD2 LEU 1 2.277 -9.650 -9.892 1.00 0.00 1CDR1503
+ATOM 1291 3HD2 LEU 1 3.853 -9.177 -9.258 1.00 0.00 1CDR1504
+ATOM 1292 N GLN 2 6.026 -9.137 -5.341 1.00 0.00 1CDR1505
+ATOM 1293 CA GLN 2 6.555 -8.287 -4.239 1.00 0.00 1CDR1506
+ATOM 1294 C GLN 2 6.078 -6.850 -4.433 1.00 0.00 1CDR1507
+ATOM 1295 O GLN 2 5.685 -6.455 -5.511 1.00 0.00 1CDR1508
+ATOM 1296 CB GLN 2 8.085 -8.325 -4.255 1.00 0.00 1CDR1509
+ATOM 1297 CG GLN 2 8.562 -9.763 -4.040 1.00 0.00 1CDR1510
+ATOM 1298 CD GLN 2 9.920 -9.957 -4.718 1.00 0.00 1CDR1511
+ATOM 1299 OE1 GLN 2 10.715 -9.040 -4.786 1.00 0.00 1CDR1512
+ATOM 1300 NE2 GLN 2 10.221 -11.120 -5.228 1.00 0.00 1CDR1513
+ATOM 1301 H GLN 2 6.635 -9.489 -6.024 1.00 0.00 1CDR1514
+ATOM 1302 HA GLN 2 6.196 -8.656 -3.289 1.00 0.00 1CDR1515
+ATOM 1303 1HB GLN 2 8.443 -7.964 -5.207 1.00 0.00 1CDR1516
+ATOM 1304 2HB GLN 2 8.468 -7.699 -3.465 1.00 0.00 1CDR1517
+ATOM 1305 1HG GLN 2 8.658 -9.954 -2.981 1.00 0.00 1CDR1518
+ATOM 1306 2HG GLN 2 7.847 -10.448 -4.468 1.00 0.00 1CDR1519
+ATOM 1307 1HE2 GLN 2 11.088 -11.254 -5.664 1.00 0.00 1CDR1520
+ATOM 1308 2HE2 GLN 2 9.579 -11.860 -5.174 1.00 0.00 1CDR1521
+ATOM 1309 N CYS 3 6.107 -6.069 -3.393 1.00 0.00 1CDR1522
+ATOM 1310 CA CYS 3 5.657 -4.655 -3.508 1.00 0.00 1CDR1523
+ATOM 1311 C CYS 3 6.287 -3.832 -2.383 1.00 0.00 1CDR1524
+ATOM 1312 O CYS 3 6.746 -4.368 -1.394 1.00 0.00 1CDR1525
+ATOM 1313 CB CYS 3 4.135 -4.590 -3.401 1.00 0.00 1CDR1526
+ATOM 1314 SG CYS 3 3.394 -5.048 -4.990 1.00 0.00 1CDR1527
+ATOM 1315 H CYS 3 6.426 -6.416 -2.534 1.00 0.00 1CDR1528
+ATOM 1316 HA CYS 3 5.965 -4.257 -4.460 1.00 0.00 1CDR1529
+ATOM 1317 1HB CYS 3 3.806 -5.277 -2.643 1.00 0.00 1CDR1530
+ATOM 1318 2HB CYS 3 3.833 -3.588 -3.137 1.00 0.00 1CDR1531
+ATOM 1319 N TYR 4 6.314 -2.536 -2.523 1.00 0.00 1CDR1532
+ATOM 1320 CA TYR 4 6.918 -1.686 -1.459 1.00 0.00 1CDR1533
+ATOM 1321 C TYR 4 5.858 -1.357 -0.406 1.00 0.00 1CDR1534
+ATOM 1322 O TYR 4 5.109 -0.410 -0.541 1.00 0.00 1CDR1535
+ATOM 1323 CB TYR 4 7.442 -0.389 -2.076 1.00 0.00 1CDR1536
+ATOM 1324 CG TYR 4 8.631 -0.691 -2.956 1.00 0.00 1CDR1537
+ATOM 1325 CD1 TYR 4 9.904 -0.834 -2.389 1.00 0.00 1CDR1538
+ATOM 1326 CD2 TYR 4 8.461 -0.829 -4.338 1.00 0.00 1CDR1539
+ATOM 1327 CE1 TYR 4 11.006 -1.113 -3.206 1.00 0.00 1CDR1540
+ATOM 1328 CE2 TYR 4 9.563 -1.108 -5.155 1.00 0.00 1CDR1541
+ATOM 1329 CZ TYR 4 10.836 -1.250 -4.588 1.00 0.00 1CDR1542
+ATOM 1330 OH TYR 4 11.921 -1.526 -5.394 1.00 0.00 1CDR1543
+ATOM 1331 H TYR 4 5.940 -2.121 -3.328 1.00 0.00 1CDR1544
+ATOM 1332 HA TYR 4 7.734 -2.218 -0.993 1.00 0.00 1CDR1545
+ATOM 1333 1HB TYR 4 6.662 0.067 -2.669 1.00 0.00 1CDR1546
+ATOM 1334 2HB TYR 4 7.740 0.290 -1.291 1.00 0.00 1CDR1547
+ATOM 1335 HD1 TYR 4 10.035 -0.728 -1.322 1.00 0.00 1CDR1548
+ATOM 1336 HD2 TYR 4 7.480 -0.719 -4.775 1.00 0.00 1CDR1549
+ATOM 1337 HE1 TYR 4 11.987 -1.224 -2.769 1.00 0.00 1CDR1550
+ATOM 1338 HE2 TYR 4 9.432 -1.214 -6.222 1.00 0.00 1CDR1551
+ATOM 1339 HH TYR 4 11.797 -1.066 -6.228 1.00 0.00 1CDR1552
+ATOM 1340 N ASN 5 5.791 -2.131 0.642 1.00 0.00 1CDR1553
+ATOM 1341 CA ASN 5 4.780 -1.857 1.700 1.00 0.00 1CDR1554
+ATOM 1342 C ASN 5 4.877 -0.392 2.124 1.00 0.00 1CDR1555
+ATOM 1343 O ASN 5 5.944 0.190 2.146 1.00 0.00 1CDR1556
+ATOM 1344 CB ASN 5 5.043 -2.756 2.910 1.00 0.00 1CDR1557
+ATOM 1345 CG ASN 5 6.342 -2.325 3.595 1.00 0.00 1CDR1558
+ATOM 1346 OD1 ASN 5 7.355 -2.152 2.948 1.00 0.00 1CDR1559
+ATOM 1347 ND2 ASN 5 6.353 -2.143 4.888 1.00 0.00 1CDR1560
+ATOM 1348 H ASN 5 6.404 -2.889 0.734 1.00 0.00 1CDR1561
+ATOM 1349 HA ASN 5 3.791 -2.056 1.312 1.00 0.00 1CDR1562
+ATOM 1350 1HB ASN 5 4.222 -2.669 3.606 1.00 0.00 1CDR1563
+ATOM 1351 2HB ASN 5 5.133 -3.780 2.585 1.00 0.00 1CDR1564
+ATOM 1352 1HD2 ASN 5 7.180 -1.867 5.336 1.00 0.00 1CDR1565
+ATOM 1353 2HD2 ASN 5 5.536 -2.283 5.409 1.00 0.00 1CDR1566
+ATOM 1354 N CYS 6 3.770 0.210 2.458 1.00 0.00 1CDR1567
+ATOM 1355 CA CYS 6 3.795 1.637 2.879 1.00 0.00 1CDR1568
+ATOM 1356 C CYS 6 2.358 2.142 3.025 1.00 0.00 1CDR1569
+ATOM 1357 O CYS 6 1.764 2.601 2.069 1.00 0.00 1CDR1570
+ATOM 1358 CB CYS 6 4.525 2.470 1.823 1.00 0.00 1CDR1571
+ATOM 1359 SG CYS 6 5.979 3.249 2.567 1.00 0.00 1CDR1572
+ATOM 1360 H CYS 6 2.922 -0.279 2.431 1.00 0.00 1CDR1573
+ATOM 1361 HA CYS 6 4.307 1.726 3.826 1.00 0.00 1CDR1574
+ATOM 1362 1HB CYS 6 4.836 1.829 1.010 1.00 0.00 1CDR1575
+ATOM 1363 2HB CYS 6 3.861 3.233 1.445 1.00 0.00 1CDR1576
+ATOM 1364 N PRO 7 1.840 2.039 4.222 1.00 0.00 1CDR1577
+ATOM 1365 CA PRO 7 0.468 2.474 4.534 1.00 0.00 1CDR1578
+ATOM 1366 C PRO 7 0.402 4.001 4.634 1.00 0.00 1CDR1579
+ATOM 1367 O PRO 7 -0.661 4.580 4.735 1.00 0.00 1CDR1580
+ATOM 1368 CB PRO 7 0.180 1.816 5.887 1.00 0.00 1CDR1581
+ATOM 1369 CG PRO 7 1.557 1.518 6.528 1.00 0.00 1CDR1582
+ATOM 1370 CD PRO 7 2.577 1.482 5.376 1.00 0.00 1CDR1583
+ATOM 1371 HA PRO 7 -0.223 2.110 3.793 1.00 0.00 1CDR1584
+ATOM 1372 1HB PRO 7 -0.386 2.492 6.514 1.00 0.00 1CDR1585
+ATOM 1373 2HB PRO 7 -0.362 0.896 5.745 1.00 0.00 1CDR1586
+ATOM 1374 1HG PRO 7 1.814 2.298 7.232 1.00 0.00 1CDR1587
+ATOM 1375 2HG PRO 7 1.535 0.561 7.026 1.00 0.00 1CDR1588
+ATOM 1376 1HD PRO 7 3.436 2.096 5.613 1.00 0.00 1CDR1589
+ATOM 1377 2HD PRO 7 2.880 0.467 5.170 1.00 0.00 1CDR1590
+ATOM 1378 N ASN 8 1.529 4.656 4.598 1.00 0.00 1CDR1591
+ATOM 1379 CA ASN 8 1.527 6.144 4.681 1.00 0.00 1CDR1592
+ATOM 1380 C ASN 8 1.693 6.723 3.275 1.00 0.00 1CDR1593
+ATOM 1381 O ASN 8 2.245 6.082 2.404 1.00 0.00 1CDR1594
+ATOM 1382 CB ASN 8 2.684 6.610 5.567 1.00 0.00 1CDR1595
+ATOM 1383 CG ASN 8 3.940 5.803 5.239 1.00 0.00 1CDR1596
+ATOM 1384 OD1 ASN 8 4.261 5.600 4.085 1.00 0.00 1CDR1597
+ATOM 1385 ND2 ASN 8 4.670 5.330 6.212 1.00 0.00 1CDR1598
+ATOM 1386 H ASN 8 2.376 4.172 4.510 1.00 0.00 1CDR1599
+ATOM 1387 HA ASN 8 0.592 6.481 5.100 1.00 0.00 1CDR1600
+ATOM 1388 1HB ASN 8 2.873 7.660 5.389 1.00 0.00 1CDR1601
+ATOM 1389 2HB ASN 8 2.425 6.463 6.605 1.00 0.00 1CDR1602
+ATOM 1390 1HD2 ASN 8 5.477 4.812 6.013 1.00 0.00 1CDR1603
+ATOM 1391 2HD2 ASN 8 4.410 5.495 7.143 1.00 0.00 1CDR1604
+ATOM 1392 N PRO 9 1.204 7.922 3.094 1.00 0.00 1CDR1605
+ATOM 1393 CA PRO 9 1.281 8.616 1.800 1.00 0.00 1CDR1606
+ATOM 1394 C PRO 9 2.689 9.158 1.575 1.00 0.00 1CDR1607
+ATOM 1395 O PRO 9 2.969 10.319 1.796 1.00 0.00 1CDR1608
+ATOM 1396 CB PRO 9 0.260 9.747 1.935 1.00 0.00 1CDR1609
+ATOM 1397 CG PRO 9 0.073 9.986 3.453 1.00 0.00 1CDR1610
+ATOM 1398 CD PRO 9 0.536 8.697 4.160 1.00 0.00 1CDR1611
+ATOM 1399 HA PRO 9 0.999 7.954 0.997 1.00 0.00 1CDR1612
+ATOM 1400 1HB PRO 9 0.634 10.642 1.457 1.00 0.00 1CDR1613
+ATOM 1401 2HB PRO 9 -0.681 9.454 1.495 1.00 0.00 1CDR1614
+ATOM 1402 1HG PRO 9 0.676 10.825 3.772 1.00 0.00 1CDR1615
+ATOM 1403 2HG PRO 9 -0.967 10.169 3.674 1.00 0.00 1CDR1616
+ATOM 1404 1HD PRO 9 1.232 8.932 4.953 1.00 0.00 1CDR1617
+ATOM 1405 2HD PRO 9 -0.310 8.149 4.544 1.00 0.00 1CDR1618
+ATOM 1406 N THR 10 3.577 8.313 1.137 1.00 0.00 1CDR1619
+ATOM 1407 CA THR 10 4.978 8.757 0.891 1.00 0.00 1CDR1620
+ATOM 1408 C THR 10 5.311 8.589 -0.593 1.00 0.00 1CDR1621
+ATOM 1409 O THR 10 4.665 7.844 -1.303 1.00 0.00 1CDR1622
+ATOM 1410 CB THR 10 5.935 7.905 1.730 1.00 0.00 1CDR1623
+ATOM 1411 OG1 THR 10 7.263 8.377 1.553 1.00 0.00 1CDR1624
+ATOM 1412 CG2 THR 10 5.847 6.446 1.283 1.00 0.00 1CDR1625
+ATOM 1413 H THR 10 3.319 7.381 0.970 1.00 0.00 1CDR1626
+ATOM 1414 HA THR 10 5.081 9.795 1.169 1.00 0.00 1CDR1627
+ATOM 1415 HB THR 10 5.662 7.975 2.772 1.00 0.00 1CDR1628
+ATOM 1416 HG1 THR 10 7.396 9.121 2.146 1.00 0.00 1CDR1629
+ATOM 1417 1HG2 THR 10 4.821 6.112 1.341 1.00 0.00 1CDR1630
+ATOM 1418 2HG2 THR 10 6.196 6.360 0.265 1.00 0.00 1CDR1631
+ATOM 1419 3HG2 THR 10 6.462 5.835 1.927 1.00 0.00 1CDR1632
+ATOM 1420 N ALA 11 6.314 9.276 -1.066 1.00 0.00 1CDR1633
+ATOM 1421 CA ALA 11 6.686 9.156 -2.505 1.00 0.00 1CDR1634
+ATOM 1422 C ALA 11 8.123 8.646 -2.619 1.00 0.00 1CDR1635
+ATOM 1423 O ALA 11 8.854 9.016 -3.516 1.00 0.00 1CDR1636
+ATOM 1424 CB ALA 11 6.576 10.527 -3.177 1.00 0.00 1CDR1637
+ATOM 1425 H ALA 11 6.822 9.872 -0.477 1.00 0.00 1CDR1638
+ATOM 1426 HA ALA 11 6.019 8.461 -2.992 1.00 0.00 1CDR1639
+ATOM 1427 1HB ALA 11 6.795 11.300 -2.455 1.00 0.00 1CDR1640
+ATOM 1428 2HB ALA 11 7.282 10.585 -3.993 1.00 0.00 1CDR1641
+ATOM 1429 3HB ALA 11 5.575 10.662 -3.557 1.00 0.00 1CDR1642
+ATOM 1430 N ASP 12 8.534 7.800 -1.716 1.00 0.00 1CDR1643
+ATOM 1431 CA ASP 12 9.925 7.269 -1.775 1.00 0.00 1CDR1644
+ATOM 1432 C ASP 12 10.052 6.062 -0.845 1.00 0.00 1CDR1645
+ATOM 1433 O ASP 12 11.085 5.833 -0.247 1.00 0.00 1CDR1646
+ATOM 1434 CB ASP 12 10.906 8.357 -1.336 1.00 0.00 1CDR1647
+ATOM 1435 CG ASP 12 10.354 9.078 -0.104 1.00 0.00 1CDR1648
+ATOM 1436 OD1 ASP 12 9.277 9.642 -0.206 1.00 0.00 1CDR1649
+ATOM 1437 OD2 ASP 12 11.018 9.054 0.919 1.00 0.00 1CDR1650
+ATOM 1438 H ASP 12 7.929 7.514 -1.000 1.00 0.00 1CDR1651
+ATOM 1439 HA ASP 12 10.151 6.968 -2.787 1.00 0.00 1CDR1652
+ATOM 1440 1HB ASP 12 11.858 7.906 -1.094 1.00 0.00 1CDR1653
+ATOM 1441 2HB ASP 12 11.038 9.068 -2.137 1.00 0.00 1CDR1654
+ATOM 1442 N CYS 13 9.013 5.284 -0.723 1.00 0.00 1CDR1655
+ATOM 1443 CA CYS 13 9.081 4.091 0.164 1.00 0.00 1CDR1656
+ATOM 1444 C CYS 13 10.208 3.172 -0.312 1.00 0.00 1CDR1657
+ATOM 1445 O CYS 13 10.320 2.868 -1.483 1.00 0.00 1CDR1658
+ATOM 1446 CB CYS 13 7.750 3.340 0.112 1.00 0.00 1CDR1659
+ATOM 1447 SG CYS 13 7.543 2.376 1.631 1.00 0.00 1CDR1660
+ATOM 1448 H CYS 13 8.191 5.484 -1.217 1.00 0.00 1CDR1661
+ATOM 1449 HA CYS 13 9.278 4.407 1.179 1.00 0.00 1CDR1662
+ATOM 1450 1HB CYS 13 6.938 4.048 0.022 1.00 0.00 1CDR1663
+ATOM 1451 2HB CYS 13 7.745 2.676 -0.739 1.00 0.00 1CDR1664
+ATOM 1452 N LYS 14 11.045 2.728 0.584 1.00 0.00 1CDR1665
+ATOM 1453 CA LYS 14 12.164 1.832 0.179 1.00 0.00 1CDR1666
+ATOM 1454 C LYS 14 12.108 0.539 0.995 1.00 0.00 1CDR1667
+ATOM 1455 O LYS 14 13.103 0.084 1.523 1.00 0.00 1CDR1668
+ATOM 1456 CB LYS 14 13.498 2.538 0.436 1.00 0.00 1CDR1669
+ATOM 1457 CG LYS 14 13.645 2.816 1.933 1.00 0.00 1CDR1670
+ATOM 1458 CD LYS 14 14.964 3.548 2.190 1.00 0.00 1CDR1671
+ATOM 1459 CE LYS 14 16.124 2.731 1.619 1.00 0.00 1CDR1672
+ATOM 1460 NZ LYS 14 17.197 2.600 2.645 1.00 0.00 1CDR1673
+ATOM 1461 H LYS 14 10.940 2.986 1.524 1.00 0.00 1CDR1674
+ATOM 1462 HA LYS 14 12.078 1.599 -0.872 1.00 0.00 1CDR1675
+ATOM 1463 1HB LYS 14 14.309 1.906 0.104 1.00 0.00 1CDR1676
+ATOM 1464 2HB LYS 14 13.521 3.471 -0.106 1.00 0.00 1CDR1677
+ATOM 1465 1HG LYS 14 12.820 3.430 2.267 1.00 0.00 1CDR1678
+ATOM 1466 2HG LYS 14 13.642 1.883 2.474 1.00 0.00 1CDR1679
+ATOM 1467 1HD LYS 14 14.936 4.518 1.715 1.00 0.00 1CDR1680
+ATOM 1468 2HD LYS 14 15.105 3.673 3.254 1.00 0.00 1CDR1681
+ATOM 1469 1HE LYS 14 15.770 1.749 1.341 1.00 0.00 1CDR1682
+ATOM 1470 2HE LYS 14 16.519 3.231 0.747 1.00 0.00 1CDR1683
+ATOM 1471 1HZ LYS 14 17.468 3.543 2.988 1.00 0.00 1CDR1684
+ATOM 1472 2HZ LYS 14 16.847 2.027 3.440 1.00 0.00 1CDR1685
+ATOM 1473 3HZ LYS 14 18.027 2.136 2.221 1.00 0.00 1CDR1686
+ATOM 1474 N THR 15 10.952 -0.055 1.106 1.00 0.00 1CDR1687
+ATOM 1475 CA THR 15 10.835 -1.318 1.889 1.00 0.00 1CDR1688
+ATOM 1476 C THR 15 10.082 -2.364 1.064 1.00 0.00 1CDR1689
+ATOM 1477 O THR 15 8.870 -2.439 1.100 1.00 0.00 1CDR1690
+ATOM 1478 CB THR 15 10.070 -1.044 3.187 1.00 0.00 1CDR1691
+ATOM 1479 OG1 THR 15 9.563 -2.266 3.703 1.00 0.00 1CDR1692
+ATOM 1480 CG2 THR 15 8.911 -0.086 2.905 1.00 0.00 1CDR1693
+ATOM 1481 H THR 15 10.159 0.328 0.674 1.00 0.00 1CDR1694
+ATOM 1482 HA THR 15 11.822 -1.687 2.125 1.00 0.00 1CDR1695
+ATOM 1483 HB THR 15 10.734 -0.595 3.909 1.00 0.00 1CDR1696
+ATOM 1484 HG1 THR 15 10.252 -2.931 3.623 1.00 0.00 1CDR1697
+ATOM 1485 1HG2 THR 15 8.479 -0.318 1.943 1.00 0.00 1CDR1698
+ATOM 1486 2HG2 THR 15 8.159 -0.194 3.672 1.00 0.00 1CDR1699
+ATOM 1487 3HG2 THR 15 9.277 0.930 2.900 1.00 0.00 1CDR1700
+ATOM 1488 N ALA 16 10.789 -3.173 0.323 1.00 0.00 1CDR1701
+ATOM 1489 CA ALA 16 10.112 -4.212 -0.503 1.00 0.00 1CDR1702
+ATOM 1490 C ALA 16 9.582 -5.323 0.406 1.00 0.00 1CDR1703
+ATOM 1491 O ALA 16 9.999 -5.462 1.538 1.00 0.00 1CDR1704
+ATOM 1492 CB ALA 16 11.112 -4.803 -1.499 1.00 0.00 1CDR1705
+ATOM 1493 H ALA 16 11.766 -3.095 0.308 1.00 0.00 1CDR1706
+ATOM 1494 HA ALA 16 9.289 -3.766 -1.042 1.00 0.00 1CDR1707
+ATOM 1495 1HB ALA 16 11.720 -4.012 -1.912 1.00 0.00 1CDR1708
+ATOM 1496 2HB ALA 16 11.745 -5.516 -0.992 1.00 0.00 1CDR1709
+ATOM 1497 3HB ALA 16 10.577 -5.300 -2.296 1.00 0.00 1CDR1710
+ATOM 1498 N VAL 17 8.666 -6.116 -0.080 1.00 0.00 1CDR1711
+ATOM 1499 CA VAL 17 8.114 -7.216 0.761 1.00 0.00 1CDR1712
+ATOM 1500 C VAL 17 7.023 -7.956 -0.017 1.00 0.00 1CDR1713
+ATOM 1501 O VAL 17 6.194 -7.352 -0.667 1.00 0.00 1CDR1714
+ATOM 1502 CB VAL 17 7.516 -6.626 2.039 1.00 0.00 1CDR1715
+ATOM 1503 CG1 VAL 17 6.430 -5.616 1.672 1.00 0.00 1CDR1716
+ATOM 1504 CG2 VAL 17 6.906 -7.747 2.881 1.00 0.00 1CDR1717
+ATOM 1505 H VAL 17 8.342 -5.988 -0.995 1.00 0.00 1CDR1718
+ATOM 1506 HA VAL 17 8.905 -7.905 1.018 1.00 0.00 1CDR1719
+ATOM 1507 HB VAL 17 8.293 -6.130 2.603 1.00 0.00 1CDR1720
+ATOM 1508 1HG1 VAL 17 6.339 -5.558 0.597 1.00 0.00 1CDR1721
+ATOM 1509 2HG1 VAL 17 5.487 -5.931 2.095 1.00 0.00 1CDR1722
+ATOM 1510 3HG1 VAL 17 6.694 -4.645 2.063 1.00 0.00 1CDR1723
+ATOM 1511 1HG2 VAL 17 7.641 -8.523 3.035 1.00 0.00 1CDR1724
+ATOM 1512 2HG2 VAL 17 6.597 -7.352 3.838 1.00 0.00 1CDR1725
+ATOM 1513 3HG2 VAL 17 6.050 -8.158 2.368 1.00 0.00 1CDR1726
+ATOM 1514 N ASN 18 7.014 -9.260 0.048 1.00 0.00 1 1CDR1727
+ATOM 1515 CA ASN 18 5.973 -10.033 -0.686 1.00 0.00 1 1CDR1728
+ATOM 1516 C ASN 18 4.589 -9.633 -0.172 1.00 0.00 1 1CDR1729
+ATOM 1517 O ASN 18 4.283 -9.782 0.995 1.00 0.00 1 1CDR1730
+ATOM 1518 CB ASN 18 6.187 -11.529 -0.455 1.00 0.00 1 1CDR1731
+ATOM 1519 CG ASN 18 7.141 -12.078 -1.518 1.00 0.00 1 1CDR1732
+ATOM 1520 OD1 ASN 18 6.833 -12.094 -2.694 1.00 0.00 1 1CDR1733
+ATOM 1521 ND2 ASN 18 8.296 -12.526 -1.115 1.00 0.00 1 1CDR1734
+ATOM 1522 H ASN 18 7.689 -9.729 0.580 1.00 0.00 1 1CDR1735
+ATOM 1523 HA ASN 18 6.041 -9.817 -1.742 1.00 0.00 1 1CDR1736
+ATOM 1524 1HB ASN 18 6.612 -11.685 0.526 1.00 0.00 1 1CDR1737
+ATOM 1525 2HB ASN 18 5.240 -12.044 -0.524 1.00 0.00 1 1CDR1738
+ATOM 1526 HD2 ASN 18 8.526 -12.503 -0.162 1.00 0.00 1 1CDR1739
+ATOM 1527 N CYS 19 3.751 -9.126 -1.032 1.00 0.00 1CDR1740
+ATOM 1528 CA CYS 19 2.388 -8.720 -0.589 1.00 0.00 1CDR1741
+ATOM 1529 C CYS 19 1.797 -9.815 0.300 1.00 0.00 1CDR1742
+ATOM 1530 O CYS 19 1.728 -9.680 1.505 1.00 0.00 1CDR1743
+ATOM 1531 CB CYS 19 1.493 -8.519 -1.813 1.00 0.00 1CDR1744
+ATOM 1532 SG CYS 19 1.990 -7.011 -2.684 1.00 0.00 1CDR1745
+ATOM 1533 H CYS 19 4.016 -9.013 -1.969 1.00 0.00 1CDR1746
+ATOM 1534 HA CYS 19 2.450 -7.797 -0.032 1.00 0.00 1CDR1747
+ATOM 1535 1HB CYS 19 1.594 -9.366 -2.476 1.00 0.00 1CDR1748
+ATOM 1536 2HB CYS 19 0.464 -8.429 -1.497 1.00 0.00 1CDR1749
+ATOM 1537 N SER 20 1.374 -10.902 -0.285 1.00 0.00 1CDR1750
+ATOM 1538 CA SER 20 0.791 -12.006 0.528 1.00 0.00 1CDR1751
+ATOM 1539 C SER 20 -0.493 -11.518 1.204 1.00 0.00 1CDR1752
+ATOM 1540 O SER 20 -0.692 -10.336 1.398 1.00 0.00 1CDR1753
+ATOM 1541 CB SER 20 1.796 -12.436 1.597 1.00 0.00 1CDR1754
+ATOM 1542 OG SER 20 1.835 -13.855 1.660 1.00 0.00 1CDR1755
+ATOM 1543 H SER 20 1.441 -10.993 -1.259 1.00 0.00 1CDR1756
+ATOM 1544 HA SER 20 0.564 -12.845 -0.113 1.00 0.00 1CDR1757
+ATOM 1545 1HB SER 20 2.776 -12.065 1.343 1.00 0.00 1CDR1758
+ATOM 1546 2HB SER 20 1.497 -12.031 2.554 1.00 0.00 1CDR1759
+ATOM 1547 HG SER 20 2.475 -14.105 2.330 1.00 0.00 1CDR1760
+ATOM 1548 N SER 21 -1.362 -12.424 1.564 1.00 0.00 1CDR1761
+ATOM 1549 CA SER 21 -2.635 -12.027 2.232 1.00 0.00 1CDR1762
+ATOM 1550 C SER 21 -3.637 -11.541 1.181 1.00 0.00 1CDR1763
+ATOM 1551 O SER 21 -4.199 -10.469 1.294 1.00 0.00 1CDR1764
+ATOM 1552 CB SER 21 -2.361 -10.909 3.239 1.00 0.00 1CDR1765
+ATOM 1553 OG SER 21 -1.025 -11.024 3.714 1.00 0.00 1CDR1766
+ATOM 1554 H SER 21 -1.176 -13.371 1.395 1.00 0.00 1CDR1767
+ATOM 1555 HA SER 21 -3.048 -12.881 2.749 1.00 0.00 1CDR1768
+ATOM 1556 1HB SER 21 -2.485 -9.953 2.762 1.00 0.00 1CDR1769
+ATOM 1557 2HB SER 21 -3.055 -10.992 4.065 1.00 0.00 1CDR1770
+ATOM 1558 HG SER 21 -1.046 -10.981 4.672 1.00 0.00 1CDR1771
+ATOM 1559 N ASP 22 -3.867 -12.324 0.162 1.00 0.00 1CDR1772
+ATOM 1560 CA ASP 22 -4.835 -11.919 -0.900 1.00 0.00 1CDR1773
+ATOM 1561 C ASP 22 -4.338 -10.653 -1.603 1.00 0.00 1CDR1774
+ATOM 1562 O ASP 22 -4.766 -9.555 -1.306 1.00 0.00 1CDR1775
+ATOM 1563 CB ASP 22 -6.205 -11.649 -0.272 1.00 0.00 1CDR1776
+ATOM 1564 CG ASP 22 -6.818 -12.967 0.207 1.00 0.00 1CDR1777
+ATOM 1565 OD1 ASP 22 -6.139 -13.690 0.917 1.00 0.00 1CDR1778
+ATOM 1566 OD2 ASP 22 -7.956 -13.231 -0.144 1.00 0.00 1CDR1779
+ATOM 1567 H ASP 22 -3.403 -13.185 0.096 1.00 0.00 1CDR1780
+ATOM 1568 HA ASP 22 -4.924 -12.717 -1.621 1.00 0.00 1CDR1781
+ATOM 1569 1HB ASP 22 -6.092 -10.978 0.567 1.00 0.00 1CDR1782
+ATOM 1570 2HB ASP 22 -6.855 -11.199 -1.007 1.00 0.00 1CDR1783
+ATOM 1571 N PHE 23 -3.441 -10.801 -2.539 1.00 0.00 1CDR1784
+ATOM 1572 CA PHE 23 -2.916 -9.614 -3.274 1.00 0.00 1CDR1785
+ATOM 1573 C PHE 23 -2.262 -10.084 -4.575 1.00 0.00 1CDR1786
+ATOM 1574 O PHE 23 -1.371 -10.911 -4.567 1.00 0.00 1CDR1787
+ATOM 1575 CB PHE 23 -1.876 -8.897 -2.411 1.00 0.00 1CDR1788
+ATOM 1576 CG PHE 23 -2.569 -8.162 -1.289 1.00 0.00 1CDR1789
+ATOM 1577 CD1 PHE 23 -3.103 -6.886 -1.510 1.00 0.00 1CDR1790
+ATOM 1578 CD2 PHE 23 -2.679 -8.756 -0.027 1.00 0.00 1CDR1791
+ATOM 1579 CE1 PHE 23 -3.745 -6.206 -0.470 1.00 0.00 1CDR1792
+ATOM 1580 CE2 PHE 23 -3.320 -8.074 1.014 1.00 0.00 1CDR1793
+ATOM 1581 CZ PHE 23 -3.854 -6.800 0.793 1.00 0.00 1CDR1794
+ATOM 1582 H PHE 23 -3.115 -11.697 -2.765 1.00 0.00 1CDR1795
+ATOM 1583 HA PHE 23 -3.728 -8.939 -3.499 1.00 0.00 1CDR1796
+ATOM 1584 1HB PHE 23 -1.190 -9.621 -1.997 1.00 0.00 1CDR1797
+ATOM 1585 2HB PHE 23 -1.329 -8.190 -3.019 1.00 0.00 1CDR1798
+ATOM 1586 HD1 PHE 23 -3.019 -6.428 -2.485 1.00 0.00 1CDR1799
+ATOM 1587 HD2 PHE 23 -2.268 -9.739 0.145 1.00 0.00 1CDR1800
+ATOM 1588 HE1 PHE 23 -4.155 -5.223 -0.640 1.00 0.00 1CDR1801
+ATOM 1589 HE2 PHE 23 -3.405 -8.533 1.988 1.00 0.00 1CDR1802
+ATOM 1590 HZ PHE 23 -4.350 -6.274 1.596 1.00 0.00 1CDR1803
+ATOM 1591 N ASP 24 -2.701 -9.576 -5.696 1.00 0.00 1CDR1804
+ATOM 1592 CA ASP 24 -2.100 -10.016 -6.988 1.00 0.00 1CDR1805
+ATOM 1593 C ASP 24 -1.933 -8.821 -7.931 1.00 0.00 1CDR1806
+ATOM 1594 O ASP 24 -1.827 -8.983 -9.131 1.00 0.00 1CDR1807
+ATOM 1595 CB ASP 24 -3.016 -11.053 -7.641 1.00 0.00 1CDR1808
+ATOM 1596 CG ASP 24 -2.232 -11.837 -8.695 1.00 0.00 1CDR1809
+ATOM 1597 OD1 ASP 24 -1.182 -12.360 -8.356 1.00 0.00 1CDR1810
+ATOM 1598 OD2 ASP 24 -2.693 -11.902 -9.821 1.00 0.00 1CDR1811
+ATOM 1599 H ASP 24 -3.425 -8.917 -5.688 1.00 0.00 1CDR1812
+ATOM 1600 HA ASP 24 -1.136 -10.461 -6.800 1.00 0.00 1CDR1813
+ATOM 1601 1HB ASP 24 -3.386 -11.733 -6.886 1.00 0.00 1CDR1814
+ATOM 1602 2HB ASP 24 -3.848 -10.553 -8.114 1.00 0.00 1CDR1815
+ATOM 1603 N ALA 25 -1.902 -7.624 -7.412 1.00 0.00 1CDR1816
+ATOM 1604 CA ALA 25 -1.733 -6.440 -8.303 1.00 0.00 1CDR1817
+ATOM 1605 C ALA 25 -1.122 -5.280 -7.517 1.00 0.00 1CDR1818
+ATOM 1606 O ALA 25 -1.795 -4.608 -6.763 1.00 0.00 1CDR1819
+ATOM 1607 CB ALA 25 -3.096 -6.016 -8.854 1.00 0.00 1CDR1820
+ATOM 1608 H ALA 25 -1.987 -7.502 -6.442 1.00 0.00 1CDR1821
+ATOM 1609 HA ALA 25 -1.081 -6.700 -9.124 1.00 0.00 1CDR1822
+ATOM 1610 1HB ALA 25 -3.770 -6.861 -8.839 1.00 0.00 1CDR1823
+ATOM 1611 2HB ALA 25 -3.502 -5.223 -8.243 1.00 0.00 1CDR1824
+ATOM 1612 3HB ALA 25 -2.981 -5.665 -9.869 1.00 0.00 1CDR1825
+ATOM 1613 N CYS 26 0.145 -5.022 -7.698 1.00 0.00 1CDR1826
+ATOM 1614 CA CYS 26 0.771 -3.889 -6.965 1.00 0.00 1CDR1827
+ATOM 1615 C CYS 26 -0.040 -2.639 -7.263 1.00 0.00 1CDR1828
+ATOM 1616 O CYS 26 -0.744 -2.573 -8.248 1.00 0.00 1CDR1829
+ATOM 1617 CB CYS 26 2.217 -3.701 -7.432 1.00 0.00 1CDR1830
+ATOM 1618 SG CYS 26 3.262 -3.305 -6.006 1.00 0.00 1CDR1831
+ATOM 1619 H CYS 26 0.674 -5.559 -8.324 1.00 0.00 1CDR1832
+ATOM 1620 HA CYS 26 0.750 -4.083 -5.903 1.00 0.00 1CDR1833
+ATOM 1621 1HB CYS 26 2.568 -4.611 -7.894 1.00 0.00 1CDR1834
+ATOM 1622 2HB CYS 26 2.264 -2.893 -8.147 1.00 0.00 1CDR1835
+ATOM 1623 N LEU 27 0.021 -1.655 -6.418 1.00 0.00 1CDR1836
+ATOM 1624 CA LEU 27 -0.789 -0.435 -6.674 1.00 0.00 1CDR1837
+ATOM 1625 C LEU 27 0.022 0.829 -6.397 1.00 0.00 1CDR1838
+ATOM 1626 O LEU 27 0.587 1.007 -5.337 1.00 0.00 1CDR1839
+ATOM 1627 CB LEU 27 -2.023 -0.464 -5.773 1.00 0.00 1CDR1840
+ATOM 1628 CG LEU 27 -2.788 0.856 -5.888 1.00 0.00 1CDR1841
+ATOM 1629 CD1 LEU 27 -3.975 0.675 -6.835 1.00 0.00 1CDR1842
+ATOM 1630 CD2 LEU 27 -3.297 1.264 -4.503 1.00 0.00 1CDR1843
+ATOM 1631 H LEU 27 0.576 -1.728 -5.614 1.00 0.00 1CDR1844
+ATOM 1632 HA LEU 27 -1.107 -0.433 -7.706 1.00 0.00 1CDR1845
+ATOM 1633 1HB LEU 27 -2.665 -1.276 -6.078 1.00 0.00 1CDR1846
+ATOM 1634 2HB LEU 27 -1.717 -0.612 -4.748 1.00 0.00 1CDR1847
+ATOM 1635 HG LEU 27 -2.136 1.625 -6.275 1.00 0.00 1CDR1848
+ATOM 1636 1HD1 LEU 27 -4.155 -0.379 -6.988 1.00 0.00 1CDR1849
+ATOM 1637 2HD1 LEU 27 -4.853 1.130 -6.404 1.00 0.00 1CDR1850
+ATOM 1638 3HD1 LEU 27 -3.754 1.143 -7.783 1.00 0.00 1CDR1851
+ATOM 1639 1HD2 LEU 27 -2.861 0.619 -3.755 1.00 0.00 1CDR1852
+ATOM 1640 2HD2 LEU 27 -3.015 2.288 -4.302 1.00 0.00 1CDR1853
+ATOM 1641 3HD2 LEU 27 -4.373 1.175 -4.474 1.00 0.00 1CDR1854
+ATOM 1642 N ILE 28 0.049 1.721 -7.347 1.00 0.00 1CDR1855
+ATOM 1643 CA ILE 28 0.779 3.002 -7.165 1.00 0.00 1CDR1856
+ATOM 1644 C ILE 28 -0.209 4.141 -7.412 1.00 0.00 1CDR1857
+ATOM 1645 O ILE 28 -0.517 4.474 -8.540 1.00 0.00 1CDR1858
+ATOM 1646 CB ILE 28 1.931 3.090 -8.167 1.00 0.00 1CDR1859
+ATOM 1647 CG1 ILE 28 2.691 4.402 -7.952 1.00 0.00 1CDR1860
+ATOM 1648 CG2 ILE 28 1.375 3.054 -9.591 1.00 0.00 1CDR1861
+ATOM 1649 CD1 ILE 28 3.874 4.473 -8.919 1.00 0.00 1CDR1862
+ATOM 1650 H ILE 28 -0.438 1.554 -8.181 1.00 0.00 1CDR1863
+ATOM 1651 HA ILE 28 1.164 3.062 -6.157 1.00 0.00 1CDR1864
+ATOM 1652 HB ILE 28 2.602 2.256 -8.021 1.00 0.00 1CDR1865
+ATOM 1653 1HG1 ILE 28 2.027 5.235 -8.132 1.00 0.00 1CDR1866
+ATOM 1654 2HG1 ILE 28 3.056 4.445 -6.936 1.00 0.00 1CDR1867
+ATOM 1655 1HG2 ILE 28 0.338 2.754 -9.565 1.00 0.00 1CDR1868
+ATOM 1656 2HG2 ILE 28 1.455 4.034 -10.034 1.00 0.00 1CDR1869
+ATOM 1657 3HG2 ILE 28 1.940 2.345 -10.180 1.00 0.00 1CDR1870
+ATOM 1658 1HD1 ILE 28 3.727 3.763 -9.721 1.00 0.00 1CDR1871
+ATOM 1659 2HD1 ILE 28 3.944 5.470 -9.329 1.00 0.00 1CDR1872
+ATOM 1660 3HD1 ILE 28 4.785 4.236 -8.391 1.00 0.00 1CDR1873
+ATOM 1661 N THR 29 -0.732 4.722 -6.368 1.00 0.00 1CDR1874
+ATOM 1662 CA THR 29 -1.720 5.818 -6.550 1.00 0.00 1CDR1875
+ATOM 1663 C THR 29 -1.099 7.157 -6.149 1.00 0.00 1CDR1876
+ATOM 1664 O THR 29 -0.727 7.367 -5.011 1.00 0.00 1CDR1877
+ATOM 1665 CB THR 29 -2.948 5.536 -5.680 1.00 0.00 1CDR1878
+ATOM 1666 OG1 THR 29 -3.701 4.476 -6.255 1.00 0.00 1CDR1879
+ATOM 1667 CG2 THR 29 -3.818 6.789 -5.592 1.00 0.00 1CDR1880
+ATOM 1668 H THR 29 -0.488 4.425 -5.467 1.00 0.00 1CDR1881
+ATOM 1669 HA THR 29 -2.019 5.858 -7.585 1.00 0.00 1CDR1882
+ATOM 1670 HB THR 29 -2.630 5.254 -4.688 1.00 0.00 1CDR1883
+ATOM 1671 HG1 THR 29 -3.121 3.717 -6.348 1.00 0.00 1CDR1884
+ATOM 1672 1HG2 THR 29 -3.730 7.352 -6.509 1.00 0.00 1CDR1885
+ATOM 1673 2HG2 THR 29 -4.847 6.503 -5.440 1.00 0.00 1CDR1886
+ATOM 1674 3HG2 THR 29 -3.487 7.398 -4.763 1.00 0.00 1CDR1887
+ATOM 1675 N LYS 30 -0.997 8.071 -7.075 1.00 0.00 1CDR1888
+ATOM 1676 CA LYS 30 -0.413 9.403 -6.754 1.00 0.00 1CDR1889
+ATOM 1677 C LYS 30 -1.523 10.455 -6.786 1.00 0.00 1CDR1890
+ATOM 1678 O LYS 30 -2.244 10.579 -7.757 1.00 0.00 1CDR1891
+ATOM 1679 CB LYS 30 0.658 9.756 -7.788 1.00 0.00 1CDR1892
+ATOM 1680 CG LYS 30 1.691 10.690 -7.156 1.00 0.00 1CDR1893
+ATOM 1681 CD LYS 30 2.570 11.294 -8.252 1.00 0.00 1CDR1894
+ATOM 1682 CE LYS 30 2.278 12.791 -8.377 1.00 0.00 1CDR1895
+ATOM 1683 NZ LYS 30 2.629 13.252 -9.750 1.00 0.00 1CDR1896
+ATOM 1684 H LYS 30 -1.310 7.881 -7.984 1.00 0.00 1CDR1897
+ATOM 1685 HA LYS 30 0.029 9.375 -5.768 1.00 0.00 1CDR1898
+ATOM 1686 1HB LYS 30 1.146 8.852 -8.122 1.00 0.00 1CDR1899
+ATOM 1687 2HB LYS 30 0.195 10.248 -8.630 1.00 0.00 1CDR1900
+ATOM 1688 1HG LYS 30 1.182 11.481 -6.624 1.00 0.00 1CDR1901
+ATOM 1689 2HG LYS 30 2.308 10.133 -6.469 1.00 0.00 1CDR1902
+ATOM 1690 1HD LYS 30 3.611 11.150 -7.999 1.00 0.00 1CDR1903
+ATOM 1691 2HD LYS 30 2.358 10.809 -9.193 1.00 0.00 1CDR1904
+ATOM 1692 1HE LYS 30 1.228 12.969 -8.195 1.00 0.00 1CDR1905
+ATOM 1693 2HE LYS 30 2.867 13.335 -7.654 1.00 0.00 1CDR1906
+ATOM 1694 1HZ LYS 30 2.931 12.439 -10.324 1.00 0.00 1CDR1907
+ATOM 1695 2HZ LYS 30 1.798 13.694 -10.191 1.00 0.00 1CDR1908
+ATOM 1696 3HZ LYS 30 3.404 13.945 -9.696 1.00 0.00 1CDR1909
+ATOM 1697 N ALA 31 -1.674 11.211 -5.733 1.00 0.00 1CDR1910
+ATOM 1698 CA ALA 31 -2.745 12.247 -5.710 1.00 0.00 1CDR1911
+ATOM 1699 C ALA 31 -2.121 13.637 -5.848 1.00 0.00 1CDR1912
+ATOM 1700 O ALA 31 -2.443 14.548 -5.111 1.00 0.00 1CDR1913
+ATOM 1701 CB ALA 31 -3.509 12.160 -4.388 1.00 0.00 1CDR1914
+ATOM 1702 H ALA 31 -1.087 11.094 -4.958 1.00 0.00 1CDR1915
+ATOM 1703 HA ALA 31 -3.427 12.077 -6.530 1.00 0.00 1CDR1916
+ATOM 1704 1HB ALA 31 -3.617 11.124 -4.102 1.00 0.00 1CDR1917
+ATOM 1705 2HB ALA 31 -2.966 12.690 -3.621 1.00 0.00 1CDR1918
+ATOM 1706 3HB ALA 31 -4.488 12.603 -4.507 1.00 0.00 1CDR1919
+ATOM 1707 N GLY 32 -1.232 13.808 -6.787 1.00 0.00 1CDR1920
+ATOM 1708 CA GLY 32 -0.591 15.141 -6.972 1.00 0.00 1CDR1921
+ATOM 1709 C GLY 32 -0.176 15.703 -5.611 1.00 0.00 1CDR1922
+ATOM 1710 O GLY 32 -0.355 16.871 -5.330 1.00 0.00 1CDR1923
+ATOM 1711 H GLY 32 -0.987 13.062 -7.372 1.00 0.00 1CDR1924
+ATOM 1712 1HA GLY 32 0.283 15.035 -7.599 1.00 0.00 1CDR1925
+ATOM 1713 2HA GLY 32 -1.292 15.816 -7.438 1.00 0.00 1CDR1926
+ATOM 1714 N LEU 33 0.378 14.880 -4.763 1.00 0.00 1CDR1927
+ATOM 1715 CA LEU 33 0.805 15.368 -3.420 1.00 0.00 1CDR1928
+ATOM 1716 C LEU 33 1.600 14.273 -2.708 1.00 0.00 1CDR1929
+ATOM 1717 O LEU 33 2.572 14.540 -2.030 1.00 0.00 1CDR1930
+ATOM 1718 CB LEU 33 -0.429 15.723 -2.588 1.00 0.00 1CDR1931
+ATOM 1719 CG LEU 33 -0.019 16.649 -1.441 1.00 0.00 1CDR1932
+ATOM 1720 CD1 LEU 33 0.002 18.096 -1.935 1.00 0.00 1CDR1933
+ATOM 1721 CD2 LEU 33 -1.024 16.516 -0.295 1.00 0.00 1CDR1934
+ATOM 1722 H LEU 33 0.514 13.941 -5.008 1.00 0.00 1CDR1935
+ATOM 1723 HA LEU 33 1.424 16.245 -3.538 1.00 0.00 1CDR1936
+ATOM 1724 1HB LEU 33 -1.154 16.222 -3.214 1.00 0.00 1CDR1937
+ATOM 1725 2HB LEU 33 -0.861 14.821 -2.182 1.00 0.00 1CDR1938
+ATOM 1726 HG LEU 33 0.967 16.374 -1.092 1.00 0.00 1CDR1939
+ATOM 1727 1HD1 LEU 33 -0.865 18.279 -2.551 1.00 0.00 1CDR1940
+ATOM 1728 2HD1 LEU 33 -0.010 18.766 -1.088 1.00 0.00 1CDR1941
+ATOM 1729 3HD1 LEU 33 0.897 18.266 -2.515 1.00 0.00 1CDR1942
+ATOM 1730 1HD2 LEU 33 -1.829 15.860 -0.596 1.00 0.00 1CDR1943
+ATOM 1731 2HD2 LEU 33 -0.530 16.104 0.572 1.00 0.00 1CDR1944
+ATOM 1732 3HD2 LEU 33 -1.424 17.489 -0.053 1.00 0.00 1CDR1945
+ATOM 1733 N GLN 34 1.197 13.040 -2.859 1.00 0.00 1CDR1946
+ATOM 1734 CA GLN 34 1.931 11.929 -2.191 1.00 0.00 1CDR1947
+ATOM 1735 C GLN 34 1.606 10.609 -2.891 1.00 0.00 1CDR1948
+ATOM 1736 O GLN 34 0.459 10.274 -3.106 1.00 0.00 1CDR1949
+ATOM 1737 CB GLN 34 1.512 11.843 -0.721 1.00 0.00 1CDR1950
+ATOM 1738 CG GLN 34 0.017 12.140 -0.589 1.00 0.00 1CDR1951
+ATOM 1739 CD GLN 34 -0.179 13.399 0.259 1.00 0.00 1CDR1952
+ATOM 1740 OE1 GLN 34 0.728 14.192 0.407 1.00 0.00 1CDR1953
+ATOM 1741 NE2 GLN 34 -1.333 13.615 0.829 1.00 0.00 1CDR1954
+ATOM 1742 H GLN 34 0.411 12.845 -3.412 1.00 0.00 1CDR1955
+ATOM 1743 HA GLN 34 2.993 12.115 -2.251 1.00 0.00 1CDR1956
+ATOM 1744 1HB GLN 34 1.715 10.849 -0.347 1.00 0.00 1CDR1957
+ATOM 1745 2HB GLN 34 2.072 12.564 -0.144 1.00 0.00 1CDR1958
+ATOM 1746 1HG GLN 34 -0.409 12.297 -1.570 1.00 0.00 1CDR1959
+ATOM 1747 2HG GLN 34 -0.477 11.307 -0.112 1.00 0.00 1CDR1960
+ATOM 1748 1HE2 GLN 34 -1.468 14.416 1.375 1.00 0.00 1CDR1961
+ATOM 1749 2HE2 GLN 34 -2.066 12.974 0.711 1.00 0.00 1CDR1962
+ATOM 1750 N VAL 35 2.610 9.853 -3.247 1.00 0.00 1CDR1963
+ATOM 1751 CA VAL 35 2.359 8.554 -3.933 1.00 0.00 1CDR1964
+ATOM 1752 C VAL 35 1.750 7.565 -2.936 1.00 0.00 1CDR1965
+ATOM 1753 O VAL 35 1.796 7.766 -1.739 1.00 0.00 1CDR1966
+ATOM 1754 CB VAL 35 3.678 7.995 -4.468 1.00 0.00 1CDR1967
+ATOM 1755 CG1 VAL 35 3.422 6.654 -5.160 1.00 0.00 1CDR1968
+ATOM 1756 CG2 VAL 35 4.277 8.979 -5.476 1.00 0.00 1CDR1969
+ATOM 1757 H VAL 35 3.529 10.141 -3.064 1.00 0.00 1CDR1970
+ATOM 1758 HA VAL 35 1.673 8.706 -4.753 1.00 0.00 1CDR1971
+ATOM 1759 HB VAL 35 4.368 7.850 -3.649 1.00 0.00 1CDR1972
+ATOM 1760 1HG1 VAL 35 2.693 6.787 -5.945 1.00 0.00 1CDR1973
+ATOM 1761 2HG1 VAL 35 4.345 6.286 -5.584 1.00 0.00 1CDR1974
+ATOM 1762 3HG1 VAL 35 3.050 5.941 -4.439 1.00 0.00 1CDR1975
+ATOM 1763 1HG2 VAL 35 3.865 9.963 -5.306 1.00 0.00 1CDR1976
+ATOM 1764 2HG2 VAL 35 5.350 9.012 -5.352 1.00 0.00 1CDR1977
+ATOM 1765 3HG2 VAL 35 4.039 8.658 -6.479 1.00 0.00 1CDR1978
+ATOM 1766 N TYR 36 1.176 6.498 -3.421 1.00 0.00 1CDR1979
+ATOM 1767 CA TYR 36 0.562 5.500 -2.499 1.00 0.00 1CDR1980
+ATOM 1768 C TYR 36 1.040 4.096 -2.873 1.00 0.00 1CDR1981
+ATOM 1769 O TYR 36 0.398 3.389 -3.625 1.00 0.00 1CDR1982
+ATOM 1770 CB TYR 36 -0.962 5.566 -2.617 1.00 0.00 1CDR1983
+ATOM 1771 CG TYR 36 -1.504 6.567 -1.624 1.00 0.00 1CDR1984
+ATOM 1772 CD1 TYR 36 -1.216 6.429 -0.261 1.00 0.00 1CDR1985
+ATOM 1773 CD2 TYR 36 -2.296 7.633 -2.068 1.00 0.00 1CDR1986
+ATOM 1774 CE1 TYR 36 -1.720 7.356 0.658 1.00 0.00 1CDR1987
+ATOM 1775 CE2 TYR 36 -2.801 8.559 -1.149 1.00 0.00 1CDR1988
+ATOM 1776 CZ TYR 36 -2.513 8.422 0.213 1.00 0.00 1CDR1989
+ATOM 1777 OH TYR 36 -3.010 9.337 1.119 1.00 0.00 1CDR1990
+ATOM 1778 H TYR 36 1.146 6.354 -4.390 1.00 0.00 1CDR1991
+ATOM 1779 HA TYR 36 0.855 5.719 -1.484 1.00 0.00 1CDR1992
+ATOM 1780 1HB TYR 36 -1.231 5.870 -3.618 1.00 0.00 1CDR1993
+ATOM 1781 2HB TYR 36 -1.381 4.593 -2.411 1.00 0.00 1CDR1994
+ATOM 1782 HD1 TYR 36 -0.605 5.607 0.082 1.00 0.00 1CDR1995
+ATOM 1783 HD2 TYR 36 -2.518 7.738 -3.120 1.00 0.00 1CDR1996
+ATOM 1784 HE1 TYR 36 -1.499 7.250 1.710 1.00 0.00 1CDR1997
+ATOM 1785 HE2 TYR 36 -3.413 9.381 -1.491 1.00 0.00 1CDR1998
+ATOM 1786 HH TYR 36 -2.715 10.210 0.851 1.00 0.00 1CDR1999
+ATOM 1787 N ASN 37 2.161 3.686 -2.350 1.00 0.00 1CDR2000
+ATOM 1788 CA ASN 37 2.680 2.326 -2.669 1.00 0.00 1CDR2001
+ATOM 1789 C ASN 37 2.012 1.302 -1.750 1.00 0.00 1CDR2002
+ATOM 1790 O ASN 37 2.259 1.269 -0.561 1.00 0.00 1CDR2003
+ATOM 1791 CB ASN 37 4.195 2.295 -2.453 1.00 0.00 1CDR2004
+ATOM 1792 CG ASN 37 4.844 3.449 -3.219 1.00 0.00 1CDR2005
+ATOM 1793 OD1 ASN 37 4.251 4.497 -3.376 1.00 0.00 1CDR2006
+ATOM 1794 ND2 ASN 37 6.044 3.298 -3.710 1.00 0.00 1CDR2007
+ATOM 1795 H ASN 37 2.660 4.272 -1.744 1.00 0.00 1CDR2008
+ATOM 1796 HA ASN 37 2.459 2.087 -3.698 1.00 0.00 1CDR2009
+ATOM 1797 1HB ASN 37 4.410 2.395 -1.399 1.00 0.00 1CDR2010
+ATOM 1798 2HB ASN 37 4.591 1.358 -2.814 1.00 0.00 1CDR2011
+ATOM 1799 1HD2 ASN 37 6.468 4.033 -4.201 1.00 0.00 1CDR2012
+ATOM 1800 2HD2 ASN 37 6.522 2.452 -3.585 1.00 0.00 1CDR2013
+ATOM 1801 N LYS 38 1.162 0.470 -2.288 1.00 0.00 1CDR2014
+ATOM 1802 CA LYS 38 0.479 -0.544 -1.438 1.00 0.00 1CDR2015
+ATOM 1803 C LYS 38 -0.001 -1.709 -2.305 1.00 0.00 1CDR2016
+ATOM 1804 O LYS 38 -0.268 -1.555 -3.480 1.00 0.00 1CDR2017
+ATOM 1805 CB LYS 38 -0.722 0.102 -0.744 1.00 0.00 1CDR2018
+ATOM 1806 CG LYS 38 -0.929 -0.544 0.626 1.00 0.00 1CDR2019
+ATOM 1807 CD LYS 38 -2.377 -0.339 1.074 1.00 0.00 1CDR2020
+ATOM 1808 CE LYS 38 -2.561 1.100 1.558 1.00 0.00 1CDR2021
+ATOM 1809 NZ LYS 38 -3.735 1.170 2.471 1.00 0.00 1CDR2022
+ATOM 1810 H LYS 38 0.973 0.514 -3.249 1.00 0.00 1CDR2023
+ATOM 1811 HA LYS 38 1.168 -0.912 -0.693 1.00 0.00 1CDR2024
+ATOM 1812 1HB LYS 38 -0.539 1.161 -0.621 1.00 0.00 1CDR2025
+ATOM 1813 2HB LYS 38 -1.607 -0.042 -1.346 1.00 0.00 1CDR2026
+ATOM 1814 1HG LYS 38 -0.717 -1.601 0.562 1.00 0.00 1CDR2027
+ATOM 1815 2HG LYS 38 -0.265 -0.086 1.345 1.00 0.00 1CDR2028
+ATOM 1816 1HD LYS 38 -3.040 -0.527 0.242 1.00 0.00 1CDR2029
+ATOM 1817 2HD LYS 38 -2.606 -1.020 1.879 1.00 0.00 1CDR2030
+ATOM 1818 1HE LYS 38 -1.674 1.418 2.087 1.00 0.00 1CDR2031
+ATOM 1819 2HE LYS 38 -2.725 1.748 0.710 1.00 0.00 1CDR2032
+ATOM 1820 1HZ LYS 38 -4.522 0.622 2.066 1.00 0.00 1CDR2033
+ATOM 1821 2HZ LYS 38 -3.479 0.778 3.398 1.00 0.00 1CDR2034
+ATOM 1822 3HZ LYS 38 -4.027 2.162 2.586 1.00 0.00 1CDR2035
+ATOM 1823 N CYS 39 -0.116 -2.873 -1.728 1.00 0.00 1CDR2036
+ATOM 1824 CA CYS 39 -0.584 -4.052 -2.509 1.00 0.00 1CDR2037
+ATOM 1825 C CYS 39 -2.081 -3.910 -2.780 1.00 0.00 1CDR2038
+ATOM 1826 O CYS 39 -2.842 -3.527 -1.915 1.00 0.00 1CDR2039
+ATOM 1827 CB CYS 39 -0.326 -5.330 -1.708 1.00 0.00 1CDR2040
+ATOM 1828 SG CYS 39 1.452 -5.519 -1.433 1.00 0.00 1CDR2041
+ATOM 1829 H CYS 39 0.101 -2.970 -0.779 1.00 0.00 1CDR2042
+ATOM 1830 HA CYS 39 -0.050 -4.099 -3.448 1.00 0.00 1CDR2043
+ATOM 1831 1HB CYS 39 -0.833 -5.266 -0.757 1.00 0.00 1CDR2044
+ATOM 1832 2HB CYS 39 -0.698 -6.181 -2.259 1.00 0.00 1CDR2045
+ATOM 1833 N TRP 40 -2.510 -4.203 -3.976 1.00 0.00 1CDR2046
+ATOM 1834 CA TRP 40 -3.953 -4.069 -4.298 1.00 0.00 1CDR2047
+ATOM 1835 C TRP 40 -4.371 -5.191 -5.256 1.00 0.00 1CDR2048
+ATOM 1836 O TRP 40 -3.544 -5.837 -5.872 1.00 0.00 1CDR2049
+ATOM 1837 CB TRP 40 -4.173 -2.708 -4.960 1.00 0.00 1CDR2050
+ATOM 1838 CG TRP 40 -5.540 -2.207 -4.645 1.00 0.00 1CDR2051
+ATOM 1839 CD1 TRP 40 -6.671 -2.649 -5.225 1.00 0.00 1CDR2052
+ATOM 1840 CD2 TRP 40 -5.935 -1.178 -3.695 1.00 0.00 1CDR2053
+ATOM 1841 NE1 TRP 40 -7.747 -1.957 -4.692 1.00 0.00 1CDR2054
+ATOM 1842 CE2 TRP 40 -7.341 -1.038 -3.742 1.00 0.00 1CDR2055
+ATOM 1843 CE3 TRP 40 -5.216 -0.362 -2.805 1.00 0.00 1CDR2056
+ATOM 1844 CZ2 TRP 40 -8.012 -0.117 -2.934 1.00 0.00 1CDR2057
+ATOM 1845 CZ3 TRP 40 -5.886 0.564 -1.989 1.00 0.00 1CDR2058
+ATOM 1846 CH2 TRP 40 -7.281 0.686 -2.054 1.00 0.00 1CDR2059
+ATOM 1847 H TRP 40 -1.883 -4.498 -4.666 1.00 0.00 1CDR2060
+ATOM 1848 HA TRP 40 -4.535 -4.128 -3.392 1.00 0.00 1CDR2061
+ATOM 1849 1HB TRP 40 -3.442 -2.008 -4.585 1.00 0.00 1CDR2062
+ATOM 1850 2HB TRP 40 -4.062 -2.805 -6.030 1.00 0.00 1CDR2063
+ATOM 1851 HD1 TRP 40 -6.724 -3.420 -5.980 1.00 0.00 1CDR2064
+ATOM 1852 HE1 TRP 40 -8.684 -2.087 -4.943 1.00 0.00 1CDR2065
+ATOM 1853 HE3 TRP 40 -4.141 -0.450 -2.747 1.00 0.00 1CDR2066
+ATOM 1854 HZ2 TRP 40 -9.087 -0.026 -2.987 1.00 0.00 1CDR2067
+ATOM 1855 HZ3 TRP 40 -5.323 1.187 -1.309 1.00 0.00 1CDR2068
+ATOM 1856 HH2 TRP 40 -7.790 1.401 -1.425 1.00 0.00 1CDR2069
+ATOM 1857 N LYS 41 -5.648 -5.430 -5.383 1.00 0.00 1CDR2070
+ATOM 1858 CA LYS 41 -6.118 -6.508 -6.298 1.00 0.00 1CDR2071
+ATOM 1859 C LYS 41 -6.388 -5.919 -7.684 1.00 0.00 1CDR2072
+ATOM 1860 O LYS 41 -6.524 -4.722 -7.844 1.00 0.00 1CDR2073
+ATOM 1861 CB LYS 41 -7.410 -7.115 -5.747 1.00 0.00 1CDR2074
+ATOM 1862 CG LYS 41 -7.153 -7.691 -4.354 1.00 0.00 1CDR2075
+ATOM 1863 CD LYS 41 -8.311 -8.611 -3.966 1.00 0.00 1CDR2076
+ATOM 1864 CE LYS 41 -7.817 -10.058 -3.910 1.00 0.00 1CDR2077
+ATOM 1865 NZ LYS 41 -8.874 -10.966 -4.436 1.00 0.00 1CDR2078
+ATOM 1866 H LYS 41 -6.297 -4.904 -4.875 1.00 0.00 1CDR2079
+ATOM 1867 HA LYS 41 -5.362 -7.276 -6.371 1.00 0.00 1CDR2080
+ATOM 1868 1HB LYS 41 -8.169 -6.347 -5.686 1.00 0.00 1CDR2081
+ATOM 1869 2HB LYS 41 -7.746 -7.901 -6.404 1.00 0.00 1CDR2082
+ATOM 1870 1HG LYS 41 -6.231 -8.254 -4.362 1.00 0.00 1CDR2083
+ATOM 1871 2HG LYS 41 -7.080 -6.887 -3.639 1.00 0.00 1CDR2084
+ATOM 1872 1HD LYS 41 -8.692 -8.322 -2.997 1.00 0.00 1CDR2085
+ATOM 1873 2HD LYS 41 -9.099 -8.531 -4.701 1.00 0.00 1CDR2086
+ATOM 1874 1HE LYS 41 -6.926 -10.156 -4.512 1.00 0.00 1CDR2087
+ATOM 1875 2HE LYS 41 -7.591 -10.321 -2.888 1.00 0.00 1CDR2088
+ATOM 1876 1HZ LYS 41 -9.751 -10.828 -3.894 1.00 0.00 1CDR2089
+ATOM 1877 2HZ LYS 41 -9.048 -10.753 -5.438 1.00 0.00 1CDR2090
+ATOM 1878 3HZ LYS 41 -8.561 -11.954 -4.344 1.00 0.00 1CDR2091
+ATOM 1879 N PHE 42 -6.477 -6.751 -8.687 1.00 0.00 1CDR2092
+ATOM 1880 CA PHE 42 -6.749 -6.238 -10.057 1.00 0.00 1CDR2093
+ATOM 1881 C PHE 42 -8.246 -5.969 -10.196 1.00 0.00 1CDR2094
+ATOM 1882 O PHE 42 -8.674 -5.167 -11.002 1.00 0.00 1CDR2095
+ATOM 1883 CB PHE 42 -6.319 -7.282 -11.090 1.00 0.00 1CDR2096
+ATOM 1884 CG PHE 42 -6.197 -6.630 -12.447 1.00 0.00 1CDR2097
+ATOM 1885 CD1 PHE 42 -7.330 -6.483 -13.257 1.00 0.00 1CDR2098
+ATOM 1886 CD2 PHE 42 -4.952 -6.174 -12.895 1.00 0.00 1CDR2099
+ATOM 1887 CE1 PHE 42 -7.216 -5.881 -14.516 1.00 0.00 1CDR2100
+ATOM 1888 CE2 PHE 42 -4.839 -5.570 -14.154 1.00 0.00 1CDR2101
+ATOM 1889 CZ PHE 42 -5.971 -5.423 -14.964 1.00 0.00 1CDR2102
+ATOM 1890 H PHE 42 -6.374 -7.712 -8.536 1.00 0.00 1CDR2103
+ATOM 1891 HA PHE 42 -6.200 -5.321 -10.218 1.00 0.00 1CDR2104
+ATOM 1892 1HB PHE 42 -5.364 -7.700 -10.804 1.00 0.00 1CDR2105
+ATOM 1893 2HB PHE 42 -7.057 -8.069 -11.135 1.00 0.00 1CDR2106
+ATOM 1894 HD1 PHE 42 -8.290 -6.836 -12.912 1.00 0.00 1CDR2107
+ATOM 1895 HD2 PHE 42 -4.079 -6.287 -12.271 1.00 0.00 1CDR2108
+ATOM 1896 HE1 PHE 42 -8.090 -5.767 -15.140 1.00 0.00 1CDR2109
+ATOM 1897 HE2 PHE 42 -3.878 -5.218 -14.500 1.00 0.00 1CDR2110
+ATOM 1898 HZ PHE 42 -5.884 -4.958 -15.934 1.00 0.00 1CDR2111
+ATOM 1899 N GLU 43 -9.047 -6.635 -9.410 1.00 0.00 1CDR2112
+ATOM 1900 CA GLU 43 -10.516 -6.420 -9.490 1.00 0.00 1CDR2113
+ATOM 1901 C GLU 43 -10.880 -5.133 -8.746 1.00 0.00 1CDR2114
+ATOM 1902 O GLU 43 -11.772 -4.409 -9.140 1.00 0.00 1CDR2115
+ATOM 1903 CB GLU 43 -11.245 -7.608 -8.856 1.00 0.00 1CDR2116
+ATOM 1904 CG GLU 43 -12.736 -7.531 -9.189 1.00 0.00 1CDR2117
+ATOM 1905 CD GLU 43 -12.929 -7.658 -10.701 1.00 0.00 1CDR2118
+ATOM 1906 OE1 GLU 43 -12.502 -8.660 -11.250 1.00 0.00 1CDR2119
+ATOM 1907 OE2 GLU 43 -13.501 -6.751 -11.285 1.00 0.00 1CDR2120
+ATOM 1908 H GLU 43 -8.680 -7.277 -8.766 1.00 0.00 1CDR2121
+ATOM 1909 HA GLU 43 -10.806 -6.330 -10.525 1.00 0.00 1CDR2122
+ATOM 1910 1HB GLU 43 -10.835 -8.529 -9.244 1.00 0.00 1CDR2123
+ATOM 1911 2HB GLU 43 -11.116 -7.578 -7.784 1.00 0.00 1CDR2124
+ATOM 1912 1HG GLU 43 -13.258 -8.335 -8.690 1.00 0.00 1CDR2125
+ATOM 1913 2HG GLU 43 -13.132 -6.583 -8.856 1.00 0.00 1CDR2126
+ATOM 1914 N HIS 44 -10.191 -4.841 -7.677 1.00 0.00 1CDR2127
+ATOM 1915 CA HIS 44 -10.492 -3.598 -6.914 1.00 0.00 1CDR2128
+ATOM 1916 C HIS 44 -9.621 -2.458 -7.447 1.00 0.00 1CDR2129
+ATOM 1917 O HIS 44 -9.522 -1.406 -6.849 1.00 0.00 1CDR2130
+ATOM 1918 CB HIS 44 -10.193 -3.820 -5.430 1.00 0.00 1CDR2131
+ATOM 1919 CG HIS 44 -11.097 -4.894 -4.891 1.00 0.00 1CDR2132
+ATOM 1920 ND1 HIS 44 -11.171 -5.187 -3.537 1.00 0.00 1CDR2133
+ATOM 1921 CD2 HIS 44 -11.973 -5.751 -5.509 1.00 0.00 1CDR2134
+ATOM 1922 CE1 HIS 44 -12.064 -6.182 -3.387 1.00 0.00 1CDR2135
+ATOM 1923 NE2 HIS 44 -12.583 -6.565 -4.557 1.00 0.00 1CDR2136
+ATOM 1924 H HIS 44 -9.471 -5.437 -7.379 1.00 0.00 1CDR2137
+ATOM 1925 HA HIS 44 -11.534 -3.342 -7.038 1.00 0.00 1CDR2138
+ATOM 1926 1HB HIS 44 -9.163 -4.124 -5.312 1.00 0.00 1CDR2139
+ATOM 1927 2HB HIS 44 -10.363 -2.901 -4.887 1.00 0.00 1CDR2140
+ATOM 1928 HD1 HIS 44 -10.665 -4.750 -2.822 1.00 0.00 1CDR2141
+ATOM 1929 HD2 HIS 44 -12.162 -5.791 -6.572 1.00 0.00 1CDR2142
+ATOM 1930 HE1 HIS 44 -12.330 -6.618 -2.435 1.00 0.00 1CDR2143
+ATOM 1931 N CYS 45 -8.988 -2.661 -8.571 1.00 0.00 1CDR2144
+ATOM 1932 CA CYS 45 -8.124 -1.591 -9.145 1.00 0.00 1CDR2145
+ATOM 1933 C CYS 45 -8.898 -0.840 -10.230 1.00 0.00 1CDR2146
+ATOM 1934 O CYS 45 -8.568 -0.902 -11.398 1.00 0.00 1CDR2147
+ATOM 1935 CB CYS 45 -6.870 -2.221 -9.757 1.00 0.00 1CDR2148
+ATOM 1936 SG CYS 45 -5.438 -1.166 -9.419 1.00 0.00 1CDR2149
+ATOM 1937 H CYS 45 -9.083 -3.518 -9.040 1.00 0.00 1CDR2150
+ATOM 1938 HA CYS 45 -7.838 -0.902 -8.365 1.00 0.00 1CDR2151
+ATOM 1939 1HB CYS 45 -6.709 -3.196 -9.323 1.00 0.00 1CDR2152
+ATOM 1940 2HB CYS 45 -7.001 -2.319 -10.824 1.00 0.00 1CDR2153
+ATOM 1941 N ASN 46 -9.928 -0.131 -9.854 1.00 0.00 1CDR2154
+ATOM 1942 CA ASN 46 -10.722 0.622 -10.865 1.00 0.00 1CDR2155
+ATOM 1943 C ASN 46 -10.971 2.045 -10.363 1.00 0.00 1CDR2156
+ATOM 1944 O ASN 46 -10.456 2.453 -9.341 1.00 0.00 1CDR2157
+ATOM 1945 CB ASN 46 -12.064 -0.079 -11.091 1.00 0.00 1CDR2158
+ATOM 1946 CG ASN 46 -12.516 -0.753 -9.794 1.00 0.00 1CDR2159
+ATOM 1947 OD1 ASN 46 -13.299 -0.199 -9.048 1.00 0.00 1CDR2160
+ATOM 1948 ND2 ASN 46 -12.051 -1.934 -9.491 1.00 0.00 1CDR2161
+ATOM 1949 H ASN 46 -10.179 -0.096 -8.908 1.00 0.00 1CDR2162
+ATOM 1950 HA ASN 46 -10.176 0.659 -11.795 1.00 0.00 1CDR2163
+ATOM 1951 1HB ASN 46 -12.803 0.647 -11.396 1.00 0.00 1CDR2164
+ATOM 1952 2HB ASN 46 -11.954 -0.827 -11.863 1.00 0.00 1CDR2165
+ATOM 1953 1HD2 ASN 46 -12.334 -2.375 -8.662 1.00 0.00 1CDR2166
+ATOM 1954 2HD2 ASN 46 -11.419 -2.382 -10.092 1.00 0.00 1CDR2167
+ATOM 1955 N PHE 47 -11.758 2.802 -11.076 1.00 0.00 1CDR2168
+ATOM 1956 CA PHE 47 -12.043 4.199 -10.644 1.00 0.00 1CDR2169
+ATOM 1957 C PHE 47 -13.248 4.200 -9.700 1.00 0.00 1CDR2170
+ATOM 1958 O PHE 47 -14.242 4.854 -9.948 1.00 0.00 1CDR2171
+ATOM 1959 CB PHE 47 -12.353 5.057 -11.873 1.00 0.00 1CDR2172
+ATOM 1960 CG PHE 47 -11.799 6.446 -11.670 1.00 0.00 1CDR2173
+ATOM 1961 CD1 PHE 47 -12.526 7.388 -10.934 1.00 0.00 1CDR2174
+ATOM 1962 CD2 PHE 47 -10.558 6.792 -12.218 1.00 0.00 1CDR2175
+ATOM 1963 CE1 PHE 47 -12.013 8.677 -10.745 1.00 0.00 1CDR2176
+ATOM 1964 CE2 PHE 47 -10.045 8.080 -12.029 1.00 0.00 1CDR2177
+ATOM 1965 CZ PHE 47 -10.772 9.022 -11.293 1.00 0.00 1CDR2178
+ATOM 1966 H PHE 47 -12.163 2.452 -11.897 1.00 0.00 1CDR2179
+ATOM 1967 HA PHE 47 -11.182 4.601 -10.131 1.00 0.00 1CDR2180
+ATOM 1968 1HB PHE 47 -11.897 4.612 -12.746 1.00 0.00 1CDR2181
+ATOM 1969 2HB PHE 47 -13.422 5.113 -12.013 1.00 0.00 1CDR2182
+ATOM 1970 HD1 PHE 47 -13.484 7.121 -10.512 1.00 0.00 1CDR2183
+ATOM 1971 HD2 PHE 47 -9.997 6.065 -12.785 1.00 0.00 1CDR2184
+ATOM 1972 HE1 PHE 47 -12.575 9.404 -10.177 1.00 0.00 1CDR2185
+ATOM 1973 HE2 PHE 47 -9.087 8.347 -12.452 1.00 0.00 1CDR2186
+ATOM 1974 HZ PHE 47 -10.377 10.017 -11.147 1.00 0.00 1CDR2187
+ATOM 1975 N ASN 48 -13.167 3.471 -8.620 1.00 0.00 1CDR2188
+ATOM 1976 CA ASN 48 -14.307 3.429 -7.661 1.00 0.00 1CDR2189
+ATOM 1977 C ASN 48 -13.938 2.546 -6.468 1.00 0.00 1CDR2190
+ATOM 1978 O ASN 48 -14.353 2.789 -5.352 1.00 0.00 1CDR2191
+ATOM 1979 CB ASN 48 -15.540 2.852 -8.359 1.00 0.00 1CDR2192
+ATOM 1980 CG ASN 48 -16.690 2.739 -7.357 1.00 0.00 1CDR2193
+ATOM 1981 OD1 ASN 48 -17.561 1.904 -7.506 1.00 0.00 1CDR2194
+ATOM 1982 ND2 ASN 48 -16.731 3.548 -6.335 1.00 0.00 1CDR2195
+ATOM 1983 H ASN 48 -12.356 2.952 -8.440 1.00 0.00 1CDR2196
+ATOM 1984 HA ASN 48 -14.524 4.429 -7.315 1.00 0.00 1CDR2197
+ATOM 1985 1HB ASN 48 -15.831 3.503 -9.171 1.00 0.00 1CDR2198
+ATOM 1986 2HB ASN 48 -15.307 1.873 -8.749 1.00 0.00 1CDR2199
+ATOM 1987 1HD2 ASN 48 -17.464 3.484 -5.687 1.00 0.00 1CDR2200
+ATOM 1988 2HD2 ASN 48 -16.028 4.222 -6.214 1.00 0.00 1CDR2201
+ATOM 1989 N ASP 49 -13.161 1.522 -6.693 1.00 0.00 1CDR2202
+ATOM 1990 CA ASP 49 -12.768 0.626 -5.570 1.00 0.00 1CDR2203
+ATOM 1991 C ASP 49 -11.625 1.267 -4.780 1.00 0.00 1CDR2204
+ATOM 1992 O ASP 49 -11.604 1.239 -3.565 1.00 0.00 1CDR2205
+ATOM 1993 CB ASP 49 -12.307 -0.722 -6.130 1.00 0.00 1CDR2206
+ATOM 1994 CG ASP 49 -13.528 -1.600 -6.413 1.00 0.00 1CDR2207
+ATOM 1995 OD1 ASP 49 -14.482 -1.090 -6.976 1.00 0.00 1CDR2208
+ATOM 1996 OD2 ASP 49 -13.486 -2.768 -6.062 1.00 0.00 1CDR2209
+ATOM 1997 H ASP 49 -12.836 1.342 -7.601 1.00 0.00 1CDR2210
+ATOM 1998 HA ASP 49 -13.614 0.473 -4.918 1.00 0.00 1CDR2211
+ATOM 1999 1HB ASP 49 -11.758 -0.562 -7.047 1.00 0.00 1CDR2212
+ATOM 2000 2HB ASP 49 -11.671 -1.213 -5.410 1.00 0.00 1CDR2213
+ATOM 2001 N VAL 50 -10.673 1.846 -5.461 1.00 0.00 1CDR2214
+ATOM 2002 CA VAL 50 -9.532 2.487 -4.749 1.00 0.00 1CDR2215
+ATOM 2003 C VAL 50 -9.926 3.898 -4.310 1.00 0.00 1CDR2216
+ATOM 2004 O VAL 50 -9.597 4.336 -3.226 1.00 0.00 1CDR2217
+ATOM 2005 CB VAL 50 -8.327 2.567 -5.689 1.00 0.00 1CDR2218
+ATOM 2006 CG1 VAL 50 -7.142 3.187 -4.947 1.00 0.00 1CDR2219
+ATOM 2007 CG2 VAL 50 -7.953 1.158 -6.158 1.00 0.00 1CDR2220
+ATOM 2008 H VAL 50 -10.708 1.856 -6.440 1.00 0.00 1CDR2221
+ATOM 2009 HA VAL 50 -9.272 1.900 -3.881 1.00 0.00 1CDR2222
+ATOM 2010 HB VAL 50 -8.577 3.179 -6.542 1.00 0.00 1CDR2223
+ATOM 2011 1HG1 VAL 50 -7.320 3.143 -3.882 1.00 0.00 1CDR2224
+ATOM 2012 2HG1 VAL 50 -6.242 2.639 -5.184 1.00 0.00 1CDR2225
+ATOM 2013 3HG1 VAL 50 -7.027 4.217 -5.250 1.00 0.00 1CDR2226
+ATOM 2014 1HG2 VAL 50 -8.214 0.442 -5.393 1.00 0.00 1CDR2227
+ATOM 2015 2HG2 VAL 50 -8.492 0.928 -7.066 1.00 0.00 1CDR2228
+ATOM 2016 3HG2 VAL 50 -6.891 1.112 -6.349 1.00 0.00 1CDR2229
+ATOM 2017 N THR 51 -10.627 4.616 -5.145 1.00 0.00 1CDR2230
+ATOM 2018 CA THR 51 -11.039 6.001 -4.772 1.00 0.00 1CDR2231
+ATOM 2019 C THR 51 -11.939 5.952 -3.535 1.00 0.00 1CDR2232
+ATOM 2020 O THR 51 -12.211 6.961 -2.916 1.00 0.00 1CDR2233
+ATOM 2021 CB THR 51 -11.802 6.647 -5.934 1.00 0.00 1CDR2234
+ATOM 2022 OG1 THR 51 -12.080 5.670 -6.928 1.00 0.00 1CDR2235
+ATOM 2023 CG2 THR 51 -10.954 7.766 -6.542 1.00 0.00 1CDR2236
+ATOM 2024 H THR 51 -10.881 4.245 -6.015 1.00 0.00 1CDR2237
+ATOM 2025 HA THR 51 -10.159 6.587 -4.552 1.00 0.00 1CDR2238
+ATOM 2026 HB THR 51 -12.729 7.063 -5.569 1.00 0.00 1CDR2239
+ATOM 2027 HG1 THR 51 -13.026 5.506 -6.927 1.00 0.00 1CDR2240
+ATOM 2028 1HG2 THR 51 -10.679 8.469 -5.769 1.00 0.00 1CDR2241
+ATOM 2029 2HG2 THR 51 -10.061 7.345 -6.980 1.00 0.00 1CDR2242
+ATOM 2030 3HG2 THR 51 -11.525 8.275 -7.304 1.00 0.00 1CDR2243
+ATOM 2031 N THR 52 -12.405 4.789 -3.170 1.00 0.00 1CDR2244
+ATOM 2032 CA THR 52 -13.286 4.681 -1.975 1.00 0.00 1CDR2245
+ATOM 2033 C THR 52 -12.486 4.121 -0.798 1.00 0.00 1CDR2246
+ATOM 2034 O THR 52 -12.600 4.586 0.319 1.00 0.00 1CDR2247
+ATOM 2035 CB THR 52 -14.447 3.740 -2.286 1.00 0.00 1CDR2248
+ATOM 2036 OG1 THR 52 -15.295 4.340 -3.255 1.00 0.00 1CDR2249
+ATOM 2037 CG2 THR 52 -15.239 3.467 -1.010 1.00 0.00 1CDR2250
+ATOM 2038 H THR 52 -12.177 3.985 -3.682 1.00 0.00 1CDR2251
+ATOM 2039 HA THR 52 -13.670 5.657 -1.720 1.00 0.00 1CDR2252
+ATOM 2040 HB THR 52 -14.059 2.812 -2.669 1.00 0.00 1CDR2253
+ATOM 2041 HG1 THR 52 -15.211 5.293 -3.174 1.00 0.00 1CDR2254
+ATOM 2042 1HG2 THR 52 -14.573 3.086 -0.249 1.00 0.00 1CDR2255
+ATOM 2043 2HG2 THR 52 -15.694 4.385 -0.664 1.00 0.00 1CDR2256
+ATOM 2044 3HG2 THR 52 -16.009 2.738 -1.213 1.00 0.00 1CDR2257
+ATOM 2045 N ARG 53 -11.675 3.124 -1.035 1.00 0.00 1CDR2258
+ATOM 2046 CA ARG 53 -10.871 2.544 0.072 1.00 0.00 1CDR2259
+ATOM 2047 C ARG 53 -10.003 3.642 0.681 1.00 0.00 1CDR2260
+ATOM 2048 O ARG 53 -9.838 3.727 1.882 1.00 0.00 1CDR2261
+ATOM 2049 CB ARG 53 -9.980 1.432 -0.476 1.00 0.00 1CDR2262
+ATOM 2050 CG ARG 53 -10.616 0.076 -0.173 1.00 0.00 1CDR2263
+ATOM 2051 CD ARG 53 -11.731 -0.206 -1.181 1.00 0.00 1CDR2264
+ATOM 2052 NE ARG 53 -12.442 -1.460 -0.798 1.00 0.00 1CDR2265
+ATOM 2053 CZ ARG 53 -13.393 -1.424 0.096 1.00 0.00 1CDR2266
+ATOM 2054 NH1 ARG 53 -14.370 -0.568 -0.026 1.00 0.00 1CDR2267
+ATOM 2055 NH2 ARG 53 -13.366 -2.242 1.113 1.00 0.00 1CDR2268
+ATOM 2056 H ARG 53 -11.594 2.759 -1.939 1.00 0.00 1CDR2269
+ATOM 2057 HA ARG 53 -11.531 2.142 0.826 1.00 0.00 1CDR2270
+ATOM 2058 1HB ARG 53 -9.871 1.550 -1.546 1.00 0.00 1CDR2271
+ATOM 2059 2HB ARG 53 -9.008 1.485 -0.008 1.00 0.00 1CDR2272
+ATOM 2060 1HG ARG 53 -9.865 -0.696 -0.240 1.00 0.00 1CDR2273
+ATOM 2061 2HG ARG 53 -11.031 0.091 0.824 1.00 0.00 1CDR2274
+ATOM 2062 1HD ARG 53 -12.430 0.617 -1.184 1.00 0.00 1CDR2275
+ATOM 2063 2HD ARG 53 -11.305 -0.321 -2.167 1.00 0.00 1CDR2276
+ATOM 2064 HE ARG 53 -12.197 -2.311 -1.218 1.00 0.00 1CDR2277
+ATOM 2065 1HH1 ARG 53 -14.391 0.061 -0.803 1.00 0.00 1CDR2278
+ATOM 2066 2HH1 ARG 53 -15.099 -0.540 0.658 1.00 0.00 1CDR2279
+ATOM 2067 1HH2 ARG 53 -12.617 -2.898 1.207 1.00 0.00 1CDR2280
+ATOM 2068 2HH2 ARG 53 -14.095 -2.216 1.797 1.00 0.00 1CDR2281
+ATOM 2069 N LEU 54 -9.450 4.488 -0.142 1.00 0.00 1CDR2282
+ATOM 2070 CA LEU 54 -8.596 5.585 0.382 1.00 0.00 1CDR2283
+ATOM 2071 C LEU 54 -9.485 6.727 0.874 1.00 0.00 1CDR2284
+ATOM 2072 O LEU 54 -9.037 7.625 1.560 1.00 0.00 1CDR2285
+ATOM 2073 CB LEU 54 -7.682 6.087 -0.734 1.00 0.00 1CDR2286
+ATOM 2074 CG LEU 54 -6.857 4.918 -1.266 1.00 0.00 1CDR2287
+ATOM 2075 CD1 LEU 54 -6.124 5.342 -2.539 1.00 0.00 1CDR2288
+ATOM 2076 CD2 LEU 54 -5.839 4.493 -0.206 1.00 0.00 1CDR2289
+ATOM 2077 H LEU 54 -9.597 4.403 -1.107 1.00 0.00 1CDR2290
+ATOM 2078 HA LEU 54 -7.995 5.214 1.198 1.00 0.00 1CDR2291
+ATOM 2079 1HB LEU 54 -8.282 6.501 -1.533 1.00 0.00 1CDR2292
+ATOM 2080 2HB LEU 54 -7.023 6.846 -0.347 1.00 0.00 1CDR2293
+ATOM 2081 HG LEU 54 -7.514 4.090 -1.486 1.00 0.00 1CDR2294
+ATOM 2082 1HD1 LEU 54 -5.892 6.395 -2.488 1.00 0.00 1CDR2295
+ATOM 2083 2HD1 LEU 54 -5.210 4.776 -2.634 1.00 0.00 1CDR2296
+ATOM 2084 3HD1 LEU 54 -6.754 5.153 -3.396 1.00 0.00 1CDR2297
+ATOM 2085 1HD2 LEU 54 -5.882 5.176 0.629 1.00 0.00 1CDR2298
+ATOM 2086 2HD2 LEU 54 -6.069 3.493 0.133 1.00 0.00 1CDR2299
+ATOM 2087 3HD2 LEU 54 -4.847 4.508 -0.635 1.00 0.00 1CDR2300
+ATOM 2088 N ARG 55 -10.743 6.700 0.527 1.00 0.00 1CDR2301
+ATOM 2089 CA ARG 55 -11.662 7.783 0.973 1.00 0.00 1CDR2302
+ATOM 2090 C ARG 55 -11.301 9.083 0.254 1.00 0.00 1CDR2303
+ATOM 2091 O ARG 55 -11.410 10.161 0.804 1.00 0.00 1CDR2304
+ATOM 2092 CB ARG 55 -11.530 7.980 2.486 1.00 0.00 1CDR2305
+ATOM 2093 CG ARG 55 -11.561 6.620 3.185 1.00 0.00 1CDR2306
+ATOM 2094 CD ARG 55 -12.327 6.740 4.503 1.00 0.00 1CDR2307
+ATOM 2095 NE ARG 55 -13.562 5.907 4.439 1.00 0.00 1CDR2308
+ATOM 2096 CZ ARG 55 -14.726 6.446 4.679 1.00 0.00 1CDR2309
+ATOM 2097 NH1 ARG 55 -14.820 7.467 5.486 1.00 0.00 1CDR2310
+ATOM 2098 NH2 ARG 55 -15.798 5.964 4.111 1.00 0.00 1CDR2311
+ATOM 2099 H ARG 55 -11.085 5.967 -0.028 1.00 0.00 1CDR2312
+ATOM 2100 HA ARG 55 -12.677 7.509 0.732 1.00 0.00 1CDR2313
+ATOM 2101 1HB ARG 55 -10.596 8.476 2.703 1.00 0.00 1CDR2314
+ATOM 2102 2HB ARG 55 -12.351 8.584 2.843 1.00 0.00 1CDR2315
+ATOM 2103 1HG ARG 55 -12.050 5.897 2.547 1.00 0.00 1CDR2316
+ATOM 2104 2HG ARG 55 -10.551 6.296 3.387 1.00 0.00 1CDR2317
+ATOM 2105 1HD ARG 55 -11.703 6.397 5.316 1.00 0.00 1CDR2318
+ATOM 2106 2HD ARG 55 -12.598 7.772 4.669 1.00 0.00 1CDR2319
+ATOM 2107 HE ARG 55 -13.498 4.955 4.216 1.00 0.00 1CDR2320
+ATOM 2108 1HH1 ARG 55 -13.999 7.837 5.922 1.00 0.00 1CDR2321
+ATOM 2109 2HH1 ARG 55 -15.712 7.879 5.670 1.00 0.00 1CDR2322
+ATOM 2110 1HH2 ARG 55 -15.726 5.181 3.491 1.00 0.00 1CDR2323
+ATOM 2111 2HH2 ARG 55 -16.690 6.376 4.295 1.00 0.00 1CDR2324
+ATOM 2112 N GLU 56 -10.873 8.991 -0.975 1.00 0.00 1CDR2325
+ATOM 2113 CA GLU 56 -10.507 10.220 -1.735 1.00 0.00 1CDR2326
+ATOM 2114 C GLU 56 -11.156 10.172 -3.120 1.00 0.00 1CDR2327
+ATOM 2115 O GLU 56 -11.977 9.323 -3.403 1.00 0.00 1CDR2328
+ATOM 2116 CB GLU 56 -8.984 10.293 -1.886 1.00 0.00 1CDR2329
+ATOM 2117 CG GLU 56 -8.399 11.154 -0.765 1.00 0.00 1CDR2330
+ATOM 2118 CD GLU 56 -7.811 10.251 0.320 1.00 0.00 1CDR2331
+ATOM 2119 OE1 GLU 56 -7.624 9.076 0.049 1.00 0.00 1CDR2332
+ATOM 2120 OE2 GLU 56 -7.557 10.749 1.405 1.00 0.00 1CDR2333
+ATOM 2121 H GLU 56 -10.795 8.112 -1.401 1.00 0.00 1CDR2334
+ATOM 2122 HA GLU 56 -10.859 11.091 -1.201 1.00 0.00 1CDR2335
+ATOM 2123 1HB GLU 56 -8.571 9.296 -1.830 1.00 0.00 1CDR2336
+ATOM 2124 2HB GLU 56 -8.739 10.732 -2.841 1.00 0.00 1CDR2337
+ATOM 2125 1HG GLU 56 -7.622 11.787 -1.168 1.00 0.00 1CDR2338
+ATOM 2126 2HG GLU 56 -9.178 11.767 -0.337 1.00 0.00 1CDR2339
+ATOM 2127 N ASN 57 -10.793 11.077 -3.987 1.00 0.00 1CDR2340
+ATOM 2128 CA ASN 57 -11.389 11.081 -5.354 1.00 0.00 1CDR2341
+ATOM 2129 C ASN 57 -10.308 11.423 -6.381 1.00 0.00 1CDR2342
+ATOM 2130 O ASN 57 -10.031 10.659 -7.284 1.00 0.00 1CDR2343
+ATOM 2131 CB ASN 57 -12.505 12.128 -5.422 1.00 0.00 1CDR2344
+ATOM 2132 CG ASN 57 -13.539 11.706 -6.467 1.00 0.00 1CDR2345
+ATOM 2133 OD1 ASN 57 -13.930 12.494 -7.305 1.00 0.00 1CDR2346
+ATOM 2134 ND2 ASN 57 -14.003 10.486 -6.453 1.00 0.00 1CDR2347
+ATOM 2135 H ASN 57 -10.128 11.753 -3.742 1.00 0.00 1CDR2348
+ATOM 2136 HA ASN 57 -11.798 10.105 -5.572 1.00 0.00 1CDR2349
+ATOM 2137 1HB ASN 57 -12.980 12.211 -4.455 1.00 0.00 1CDR2350
+ATOM 2138 2HB ASN 57 -12.085 13.083 -5.700 1.00 0.00 1CDR2351
+ATOM 2139 1HD2 ASN 57 -13.688 9.850 -5.778 1.00 0.00 1CDR2352
+ATOM 2140 2HD2 ASN 57 -14.666 10.207 -7.118 1.00 0.00 1CDR2353
+ATOM 2141 N GLU 58 -9.693 12.566 -6.249 1.00 0.00 1CDR2354
+ATOM 2142 CA GLU 58 -8.630 12.958 -7.216 1.00 0.00 1CDR2355
+ATOM 2143 C GLU 58 -7.366 12.139 -6.946 1.00 0.00 1CDR2356
+ATOM 2144 O GLU 58 -6.637 12.397 -6.009 1.00 0.00 1CDR2357
+ATOM 2145 CB GLU 58 -8.318 14.448 -7.052 1.00 0.00 1CDR2358
+ATOM 2146 CG GLU 58 -9.034 15.243 -8.145 1.00 0.00 1CDR2359
+ATOM 2147 CD GLU 58 -8.362 16.608 -8.308 1.00 0.00 1CDR2360
+ATOM 2148 OE1 GLU 58 -7.274 16.777 -7.785 1.00 0.00 1CDR2361
+ATOM 2149 OE2 GLU 58 -8.949 17.461 -8.953 1.00 0.00 1CDR2362
+ATOM 2150 H GLU 58 -9.932 13.168 -5.512 1.00 0.00 1CDR2363
+ATOM 2151 HA GLU 58 -8.973 12.771 -8.223 1.00 0.00 1CDR2364
+ATOM 2152 1HB GLU 58 -8.659 14.782 -6.082 1.00 0.00 1CDR2365
+ATOM 2153 2HB GLU 58 -7.254 14.604 -7.133 1.00 0.00 1CDR2366
+ATOM 2154 1HG GLU 58 -8.981 14.700 -9.078 1.00 0.00 1CDR2367
+ATOM 2155 2HG GLU 58 -10.069 15.384 -7.870 1.00 0.00 1CDR2368
+ATOM 2156 N LEU 59 -7.100 11.154 -7.760 1.00 0.00 1CDR2369
+ATOM 2157 CA LEU 59 -5.881 10.322 -7.547 1.00 0.00 1CDR2370
+ATOM 2158 C LEU 59 -5.754 9.298 -8.678 1.00 0.00 1CDR2371
+ATOM 2159 O LEU 59 -6.669 8.549 -8.957 1.00 0.00 1CDR2372
+ATOM 2160 CB LEU 59 -5.992 9.591 -6.207 1.00 0.00 1CDR2373
+ATOM 2161 CG LEU 59 -7.368 8.935 -6.094 1.00 0.00 1CDR2374
+ATOM 2162 CD1 LEU 59 -7.292 7.494 -6.604 1.00 0.00 1CDR2375
+ATOM 2163 CD2 LEU 59 -7.814 8.934 -4.631 1.00 0.00 1CDR2376
+ATOM 2164 H LEU 59 -7.700 10.962 -8.511 1.00 0.00 1CDR2377
+ATOM 2165 HA LEU 59 -5.010 10.958 -7.539 1.00 0.00 1CDR2378
+ATOM 2166 1HB LEU 59 -5.225 8.832 -6.147 1.00 0.00 1CDR2379
+ATOM 2167 2HB LEU 59 -5.864 10.295 -5.400 1.00 0.00 1CDR2380
+ATOM 2168 HG LEU 59 -8.080 9.490 -6.690 1.00 0.00 1CDR2381
+ATOM 2169 1HD1 LEU 59 -6.419 7.379 -7.229 1.00 0.00 1CDR2382
+ATOM 2170 2HD1 LEU 59 -7.226 6.818 -5.764 1.00 0.00 1CDR2383
+ATOM 2171 3HD1 LEU 59 -8.179 7.267 -7.179 1.00 0.00 1CDR2384
+ATOM 2172 1HD2 LEU 59 -6.973 9.174 -3.998 1.00 0.00 1CDR2385
+ATOM 2173 2HD2 LEU 59 -8.591 9.671 -4.491 1.00 0.00 1CDR2386
+ATOM 2174 3HD2 LEU 59 -8.193 7.957 -4.370 1.00 0.00 1CDR2387
+ATOM 2175 N THR 60 -4.622 9.256 -9.328 1.00 0.00 1CDR2388
+ATOM 2176 CA THR 60 -4.432 8.275 -10.436 1.00 0.00 1CDR2389
+ATOM 2177 C THR 60 -3.940 6.951 -9.853 1.00 0.00 1CDR2390
+ATOM 2178 O THR 60 -2.997 6.914 -9.090 1.00 0.00 1CDR2391
+ATOM 2179 CB THR 60 -3.393 8.814 -11.423 1.00 0.00 1CDR2392
+ATOM 2180 OG1 THR 60 -2.723 9.924 -10.844 1.00 0.00 1CDR2393
+ATOM 2181 CG2 THR 60 -4.088 9.250 -12.714 1.00 0.00 1CDR2394
+ATOM 2182 H THR 60 -3.895 9.865 -9.085 1.00 0.00 1CDR2395
+ATOM 2183 HA THR 60 -5.370 8.120 -10.947 1.00 0.00 1CDR2396
+ATOM 2184 HB THR 60 -2.677 8.038 -11.650 1.00 0.00 1CDR2397
+ATOM 2185 HG1 THR 60 -2.261 10.391 -11.545 1.00 0.00 1CDR2398
+ATOM 2186 1HG2 THR 60 -4.734 8.456 -13.061 1.00 0.00 1CDR2399
+ATOM 2187 2HG2 THR 60 -4.676 10.135 -12.525 1.00 0.00 1CDR2400
+ATOM 2188 3HG2 THR 60 -3.345 9.464 -13.469 1.00 0.00 1CDR2401
+ATOM 2189 N TYR 61 -4.572 5.862 -10.197 1.00 0.00 1CDR2402
+ATOM 2190 CA TYR 61 -4.138 4.545 -9.649 1.00 0.00 1CDR2403
+ATOM 2191 C TYR 61 -3.610 3.658 -10.781 1.00 0.00 1CDR2404
+ATOM 2192 O TYR 61 -4.214 3.549 -11.829 1.00 0.00 1CDR2405
+ATOM 2193 CB TYR 61 -5.331 3.856 -8.982 1.00 0.00 1CDR2406
+ATOM 2194 CG TYR 61 -6.302 3.401 -10.046 1.00 0.00 1CDR2407
+ATOM 2195 CD1 TYR 61 -7.208 4.311 -10.601 1.00 0.00 1CDR2408
+ATOM 2196 CD2 TYR 61 -6.291 2.069 -10.480 1.00 0.00 1CDR2409
+ATOM 2197 CE1 TYR 61 -8.105 3.890 -11.590 1.00 0.00 1CDR2410
+ATOM 2198 CE2 TYR 61 -7.187 1.649 -11.469 1.00 0.00 1CDR2411
+ATOM 2199 CZ TYR 61 -8.094 2.559 -12.024 1.00 0.00 1CDR2412
+ATOM 2200 OH TYR 61 -8.977 2.144 -13.001 1.00 0.00 1CDR2413
+ATOM 2201 H TYR 61 -5.335 5.911 -10.811 1.00 0.00 1CDR2414
+ATOM 2202 HA TYR 61 -3.357 4.698 -8.919 1.00 0.00 1CDR2415
+ATOM 2203 1HB TYR 61 -4.985 3.003 -8.419 1.00 0.00 1CDR2416
+ATOM 2204 2HB TYR 61 -5.823 4.552 -8.319 1.00 0.00 1CDR2417
+ATOM 2205 HD1 TYR 61 -7.216 5.337 -10.266 1.00 0.00 1CDR2418
+ATOM 2206 HD2 TYR 61 -5.592 1.367 -10.050 1.00 0.00 1CDR2419
+ATOM 2207 HE1 TYR 61 -8.804 4.592 -12.019 1.00 0.00 1CDR2420
+ATOM 2208 HE2 TYR 61 -7.179 0.622 -11.804 1.00 0.00 1CDR2421
+ATOM 2209 HH TYR 61 -9.495 2.904 -13.273 1.00 0.00 1CDR2422
+ATOM 2210 N TYR 62 -2.492 3.016 -10.574 1.00 0.00 1CDR2423
+ATOM 2211 CA TYR 62 -1.936 2.131 -11.637 1.00 0.00 1CDR2424
+ATOM 2212 C TYR 62 -1.544 0.783 -11.025 1.00 0.00 1CDR2425
+ATOM 2213 O TYR 62 -0.642 0.699 -10.215 1.00 0.00 1CDR2426
+ATOM 2214 CB TYR 62 -0.702 2.789 -12.259 1.00 0.00 1CDR2427
+ATOM 2215 CG TYR 62 -0.262 1.994 -13.465 1.00 0.00 1CDR2428
+ATOM 2216 CD1 TYR 62 0.637 0.931 -13.313 1.00 0.00 1CDR2429
+ATOM 2217 CD2 TYR 62 -0.752 2.320 -14.735 1.00 0.00 1CDR2430
+ATOM 2218 CE1 TYR 62 1.045 0.194 -14.431 1.00 0.00 1CDR2431
+ATOM 2219 CE2 TYR 62 -0.345 1.583 -15.853 1.00 0.00 1CDR2432
+ATOM 2220 CZ TYR 62 0.554 0.520 -15.701 1.00 0.00 1CDR2433
+ATOM 2221 OH TYR 62 0.957 -0.206 -16.803 1.00 0.00 1CDR2434
+ATOM 2222 H TYR 62 -2.021 3.113 -9.718 1.00 0.00 1CDR2435
+ATOM 2223 HA TYR 62 -2.684 1.974 -12.401 1.00 0.00 1CDR2436
+ATOM 2224 1HB TYR 62 -0.946 3.797 -12.561 1.00 0.00 1CDR2437
+ATOM 2225 2HB TYR 62 0.097 2.814 -11.534 1.00 0.00 1CDR2438
+ATOM 2226 HD1 TYR 62 1.014 0.680 -12.332 1.00 0.00 1CDR2439
+ATOM 2227 HD2 TYR 62 -1.445 3.139 -14.852 1.00 0.00 1CDR2440
+ATOM 2228 HE1 TYR 62 1.738 -0.625 -14.314 1.00 0.00 1CDR2441
+ATOM 2229 HE2 TYR 62 -0.723 1.834 -16.832 1.00 0.00 1CDR2442
+ATOM 2230 HH TYR 62 1.385 -1.006 -16.490 1.00 0.00 1CDR2443
+ATOM 2231 N CYS 63 -2.214 -0.272 -11.405 1.00 0.00 1CDR2444
+ATOM 2232 CA CYS 63 -1.879 -1.610 -10.842 1.00 0.00 1CDR2445
+ATOM 2233 C CYS 63 -0.784 -2.262 -11.689 1.00 0.00 1CDR2446
+ATOM 2234 O CYS 63 -0.622 -1.957 -12.854 1.00 0.00 1CDR2447
+ATOM 2235 CB CYS 63 -3.126 -2.496 -10.851 1.00 0.00 1CDR2448
+ATOM 2236 SG CYS 63 -3.903 -2.464 -9.216 1.00 0.00 1CDR2449
+ATOM 2237 H CYS 63 -2.940 -0.183 -12.057 1.00 0.00 1CDR2450
+ATOM 2238 HA CYS 63 -1.526 -1.496 -9.830 1.00 0.00 1CDR2451
+ATOM 2239 1HB CYS 63 -3.825 -2.127 -11.589 1.00 0.00 1CDR2452
+ATOM 2240 2HB CYS 63 -2.846 -3.510 -11.096 1.00 0.00 1CDR2453
+ATOM 2241 N CYS 64 -0.029 -3.156 -11.110 1.00 0.00 1CDR2454
+ATOM 2242 CA CYS 64 1.057 -3.826 -11.881 1.00 0.00 1CDR2455
+ATOM 2243 C CYS 64 1.109 -5.309 -11.511 1.00 0.00 1CDR2456
+ATOM 2244 O CYS 64 0.671 -5.711 -10.451 1.00 0.00 1CDR2457
+ATOM 2245 CB CYS 64 2.398 -3.170 -11.546 1.00 0.00 1CDR2458
+ATOM 2246 SG CYS 64 3.300 -2.820 -13.076 1.00 0.00 1CDR2459
+ATOM 2247 H CYS 64 -0.176 -3.387 -10.166 1.00 0.00 1CDR2460
+ATOM 2248 HA CYS 64 0.862 -3.726 -12.939 1.00 0.00 1CDR2461
+ATOM 2249 1HB CYS 64 2.225 -2.248 -11.012 1.00 0.00 1CDR2462
+ATOM 2250 2HB CYS 64 2.982 -3.838 -10.930 1.00 0.00 1CDR2463
+ATOM 2251 N LYS 65 1.642 -6.127 -12.377 1.00 0.00 1CDR2464
+ATOM 2252 CA LYS 65 1.722 -7.584 -12.075 1.00 0.00 1CDR2465
+ATOM 2253 C LYS 65 3.188 -8.021 -12.072 1.00 0.00 1CDR2466
+ATOM 2254 O LYS 65 3.509 -9.149 -12.387 1.00 0.00 1CDR2467
+ATOM 2255 CB LYS 65 0.962 -8.370 -13.145 1.00 0.00 1CDR2468
+ATOM 2256 CG LYS 65 -0.539 -8.303 -12.863 1.00 0.00 1CDR2469
+ATOM 2257 CD LYS 65 -1.310 -8.530 -14.165 1.00 0.00 1CDR2470
+ATOM 2258 CE LYS 65 -2.812 -8.398 -13.901 1.00 0.00 1CDR2471
+ATOM 2259 NZ LYS 65 -3.444 -9.747 -13.948 1.00 0.00 1CDR2472
+ATOM 2260 H LYS 65 1.991 -5.783 -13.226 1.00 0.00 1CDR2473
+ATOM 2261 HA LYS 65 1.286 -7.776 -11.106 1.00 0.00 1CDR2474
+ATOM 2262 1HB LYS 65 1.166 -7.945 -14.116 1.00 0.00 1CDR2475
+ATOM 2263 2HB LYS 65 1.283 -9.401 -13.129 1.00 0.00 1CDR2476
+ATOM 2264 1HG LYS 65 -0.806 -9.067 -12.147 1.00 0.00 1CDR2477
+ATOM 2265 2HG LYS 65 -0.788 -7.332 -12.464 1.00 0.00 1CDR2478
+ATOM 2266 1HD LYS 65 -1.006 -7.795 -14.896 1.00 0.00 1CDR2479
+ATOM 2267 2HD LYS 65 -1.099 -9.520 -14.541 1.00 0.00 1CDR2480
+ATOM 2268 1HE LYS 65 -2.969 -7.961 -12.925 1.00 0.00 1CDR2481
+ATOM 2269 2HE LYS 65 -3.255 -7.765 -14.655 1.00 0.00 1CDR2482
+ATOM 2270 1HZ LYS 65 -2.750 -10.465 -13.653 1.00 0.00 1CDR2483
+ATOM 2271 2HZ LYS 65 -4.260 -9.769 -13.306 1.00 0.00 1CDR2484
+ATOM 2272 3HZ LYS 65 -3.760 -9.948 -14.917 1.00 0.00 1CDR2485
+ATOM 2273 N LYS 66 4.081 -7.137 -11.724 1.00 0.00 1CDR2486
+ATOM 2274 CA LYS 66 5.526 -7.505 -11.708 1.00 0.00 1CDR2487
+ATOM 2275 C LYS 66 6.071 -7.385 -10.284 1.00 0.00 1CDR2488
+ATOM 2276 O LYS 66 5.452 -6.798 -9.418 1.00 0.00 1CDR2489
+ATOM 2277 CB LYS 66 6.300 -6.564 -12.631 1.00 0.00 1CDR2490
+ATOM 2278 CG LYS 66 5.688 -6.608 -14.033 1.00 0.00 1CDR2491
+ATOM 2279 CD LYS 66 6.607 -5.876 -15.013 1.00 0.00 1CDR2492
+ATOM 2280 CE LYS 66 6.791 -6.729 -16.270 1.00 0.00 1CDR2493
+ATOM 2281 NZ LYS 66 7.556 -7.961 -15.926 1.00 0.00 1CDR2494
+ATOM 2282 H LYS 66 3.804 -6.230 -11.476 1.00 0.00 1CDR2495
+ATOM 2283 HA LYS 66 5.640 -8.521 -12.052 1.00 0.00 1CDR2496
+ATOM 2284 1HB LYS 66 6.247 -5.556 -12.245 1.00 0.00 1CDR2497
+ATOM 2285 2HB LYS 66 7.332 -6.877 -12.682 1.00 0.00 1CDR2498
+ATOM 2286 1HG LYS 66 5.573 -7.636 -14.344 1.00 0.00 1CDR2499
+ATOM 2287 2HG LYS 66 4.723 -6.124 -14.020 1.00 0.00 1CDR2500
+ATOM 2288 1HD LYS 66 6.165 -4.927 -15.281 1.00 0.00 1CDR2501
+ATOM 2289 2HD LYS 66 7.568 -5.709 -14.550 1.00 0.00 1CDR2502
+ATOM 2290 1HE LYS 66 5.824 -7.004 -16.665 1.00 0.00 1CDR2503
+ATOM 2291 2HE LYS 66 7.335 -6.163 -17.013 1.00 0.00 1CDR2504
+ATOM 2292 1HZ LYS 66 8.473 -7.695 -15.513 1.00 0.00 1CDR2505
+ATOM 2293 2HZ LYS 66 7.015 -8.524 -15.241 1.00 0.00 1CDR2506
+ATOM 2294 3HZ LYS 66 7.713 -8.523 -16.787 1.00 0.00 1CDR2507
+ATOM 2295 N ASP 67 7.227 -7.939 -10.035 1.00 0.00 1CDR2508
+ATOM 2296 CA ASP 67 7.813 -7.860 -8.667 1.00 0.00 1CDR2509
+ATOM 2297 C ASP 67 8.367 -6.453 -8.427 1.00 0.00 1CDR2510
+ATOM 2298 O ASP 67 9.347 -6.048 -9.020 1.00 0.00 1CDR2511
+ATOM 2299 CB ASP 67 8.943 -8.884 -8.536 1.00 0.00 1CDR2512
+ATOM 2300 CG ASP 67 10.121 -8.464 -9.419 1.00 0.00 1CDR2513
+ATOM 2301 OD1 ASP 67 9.879 -8.083 -10.552 1.00 0.00 1CDR2514
+ATOM 2302 OD2 ASP 67 11.242 -8.531 -8.946 1.00 0.00 1CDR2515
+ATOM 2303 H ASP 67 7.708 -8.408 -10.748 1.00 0.00 1CDR2516
+ATOM 2304 HA ASP 67 7.048 -8.074 -7.937 1.00 0.00 1CDR2517
+ATOM 2305 1HB ASP 67 9.265 -8.935 -7.506 1.00 0.00 1CDR2518
+ATOM 2306 2HB ASP 67 8.588 -9.855 -8.851 1.00 0.00 1CDR2519
+ATOM 2307 N LEU 68 7.743 -5.704 -7.560 1.00 0.00 1CDR2520
+ATOM 2308 CA LEU 68 8.224 -4.327 -7.275 1.00 0.00 1CDR2521
+ATOM 2309 C LEU 68 7.983 -3.439 -8.495 1.00 0.00 1CDR2522
+ATOM 2310 O LEU 68 8.906 -2.946 -9.112 1.00 0.00 1CDR2523
+ATOM 2311 CB LEU 68 9.719 -4.365 -6.951 1.00 0.00 1CDR2524
+ATOM 2312 CG LEU 68 9.987 -5.464 -5.920 1.00 0.00 1CDR2525
+ATOM 2313 CD1 LEU 68 11.489 -5.559 -5.653 1.00 0.00 1CDR2526
+ATOM 2314 CD2 LEU 68 9.258 -5.128 -4.617 1.00 0.00 1CDR2527
+ATOM 2315 H LEU 68 6.955 -6.050 -7.096 1.00 0.00 1CDR2528
+ATOM 2316 HA LEU 68 7.683 -3.930 -6.429 1.00 0.00 1CDR2529
+ATOM 2317 1HB LEU 68 10.278 -4.568 -7.852 1.00 0.00 1CDR2530
+ATOM 2318 2HB LEU 68 10.023 -3.412 -6.545 1.00 0.00 1CDR2531
+ATOM 2319 HG LEU 68 9.629 -6.409 -6.302 1.00 0.00 1CDR2532
+ATOM 2320 1HD1 LEU 68 12.008 -4.825 -6.250 1.00 0.00 1CDR2533
+ATOM 2321 2HD1 LEU 68 11.681 -5.373 -4.606 1.00 0.00 1CDR2534
+ATOM 2322 3HD1 LEU 68 11.838 -6.547 -5.913 1.00 0.00 1CDR2535
+ATOM 2323 1HD2 LEU 68 9.477 -4.110 -4.333 1.00 0.00 1CDR2536
+ATOM 2324 2HD2 LEU 68 8.193 -5.241 -4.761 1.00 0.00 1CDR2537
+ATOM 2325 3HD2 LEU 68 9.588 -5.799 -3.837 1.00 0.00 1CDR2538
+ATOM 2326 N CYS 69 6.744 -3.231 -8.846 1.00 0.00 1CDR2539
+ATOM 2327 CA CYS 69 6.434 -2.375 -10.025 1.00 0.00 1CDR2540
+ATOM 2328 C CYS 69 6.208 -0.935 -9.560 1.00 0.00 1CDR2541
+ATOM 2329 O CYS 69 6.668 0.007 -10.175 1.00 0.00 1CDR2542
+ATOM 2330 CB CYS 69 5.166 -2.894 -10.705 1.00 0.00 1CDR2543
+ATOM 2331 SG CYS 69 5.185 -2.444 -12.457 1.00 0.00 1CDR2544
+ATOM 2332 H CYS 69 6.015 -3.637 -8.333 1.00 0.00 1CDR2545
+ATOM 2333 HA CYS 69 7.257 -2.406 -10.723 1.00 0.00 1CDR2546
+ATOM 2334 1HB CYS 69 5.121 -3.969 -10.611 1.00 0.00 1CDR2547
+ATOM 2335 2HB CYS 69 4.299 -2.456 -10.231 1.00 0.00 1CDR2548
+ATOM 2336 N ASN 70 5.502 -0.758 -8.476 1.00 0.00 1CDR2549
+ATOM 2337 CA ASN 70 5.244 0.619 -7.969 1.00 0.00 1CDR2550
+ATOM 2338 C ASN 70 6.482 1.129 -7.227 1.00 0.00 1CDR2551
+ATOM 2339 O ASN 70 6.581 1.022 -6.021 1.00 0.00 1CDR2552
+ATOM 2340 CB ASN 70 4.049 0.591 -7.011 1.00 0.00 1CDR2553
+ATOM 2341 CG ASN 70 4.328 -0.394 -5.873 1.00 0.00 1CDR2554
+ATOM 2342 OD1 ASN 70 5.371 -1.016 -5.834 1.00 0.00 1CDR2555
+ATOM 2343 ND2 ASN 70 3.433 -0.561 -4.938 1.00 0.00 1CDR2556
+ATOM 2344 H ASN 70 5.140 -1.532 -7.997 1.00 0.00 1CDR2557
+ATOM 2345 HA ASN 70 5.024 1.274 -8.798 1.00 0.00 1CDR2558
+ATOM 2346 1HB ASN 70 3.891 1.578 -6.604 1.00 0.00 1CDR2559
+ATOM 2347 2HB ASN 70 3.166 0.276 -7.548 1.00 0.00 1CDR2560
+ATOM 2348 1HD2 ASN 70 3.602 -1.188 -4.204 1.00 0.00 1CDR2561
+ATOM 2349 2HD2 ASN 70 2.591 -0.059 -4.969 1.00 0.00 1CDR2562
+ATOM 2350 N PHE 71 7.427 1.683 -7.938 1.00 0.00 1CDR2563
+ATOM 2351 CA PHE 71 8.656 2.195 -7.270 1.00 0.00 1CDR2564
+ATOM 2352 C PHE 71 8.892 3.652 -7.677 1.00 0.00 1CDR2565
+ATOM 2353 O PHE 71 10.016 4.095 -7.808 1.00 0.00 1CDR2566
+ATOM 2354 CB PHE 71 9.858 1.348 -7.691 1.00 0.00 1CDR2567
+ATOM 2355 CG PHE 71 9.888 1.225 -9.196 1.00 0.00 1CDR2568
+ATOM 2356 CD1 PHE 71 9.213 0.173 -9.826 1.00 0.00 1CDR2569
+ATOM 2357 CD2 PHE 71 10.592 2.164 -9.961 1.00 0.00 1CDR2570
+ATOM 2358 CE1 PHE 71 9.243 0.059 -11.222 1.00 0.00 1CDR2571
+ATOM 2359 CE2 PHE 71 10.621 2.049 -11.356 1.00 0.00 1CDR2572
+ATOM 2360 CZ PHE 71 9.946 0.997 -11.987 1.00 0.00 1CDR2573
+ATOM 2361 H PHE 71 7.329 1.758 -8.911 1.00 0.00 1CDR2574
+ATOM 2362 HA PHE 71 8.533 2.139 -6.199 1.00 0.00 1CDR2575
+ATOM 2363 1HB PHE 71 10.768 1.820 -7.350 1.00 0.00 1CDR2576
+ATOM 2364 2HB PHE 71 9.777 0.365 -7.252 1.00 0.00 1CDR2577
+ATOM 2365 HD1 PHE 71 8.670 -0.550 -9.236 1.00 0.00 1CDR2578
+ATOM 2366 HD2 PHE 71 11.113 2.976 -9.475 1.00 0.00 1CDR2579
+ATOM 2367 HE1 PHE 71 8.722 -0.752 -11.708 1.00 0.00 1CDR2580
+ATOM 2368 HE2 PHE 71 11.164 2.773 -11.945 1.00 0.00 1CDR2581
+ATOM 2369 HZ PHE 71 9.969 0.909 -13.063 1.00 0.00 1CDR2582
+ATOM 2370 N ASN 72 7.843 4.399 -7.872 1.00 0.00 1CDR2583
+ATOM 2371 CA ASN 72 8.008 5.827 -8.265 1.00 0.00 1CDR2584
+ATOM 2372 C ASN 72 8.637 5.910 -9.659 1.00 0.00 1CDR2585
+ATOM 2373 O ASN 72 9.730 6.414 -9.826 1.00 0.00 1CDR2586
+ATOM 2374 CB ASN 72 8.917 6.530 -7.254 1.00 0.00 1CDR2587
+ATOM 2375 CG ASN 72 8.431 6.231 -5.834 1.00 0.00 1CDR2588
+ATOM 2376 OD1 ASN 72 8.869 5.279 -5.218 1.00 0.00 1CDR2589
+ATOM 2377 ND2 ASN 72 7.540 7.010 -5.285 1.00 0.00 1CDR2590
+ATOM 2378 H ASN 72 6.945 4.023 -7.759 1.00 0.00 1CDR2591
+ATOM 2379 HA ASN 72 7.042 6.311 -8.278 1.00 0.00 1CDR2592
+ATOM 2380 1HB ASN 72 9.930 6.172 -7.372 1.00 0.00 1CDR2593
+ATOM 2381 2HB ASN 72 8.890 7.595 -7.425 1.00 0.00 1CDR2594
+ATOM 2382 1HD2 ASN 72 7.222 6.826 -4.376 1.00 0.00 1CDR2595
+ATOM 2383 2HD2 ASN 72 7.187 7.779 -5.781 1.00 0.00 1CDR2596
+ATOM 2384 N GLU 73 7.957 5.423 -10.661 1.00 0.00 1CDR2597
+ATOM 2385 CA GLU 73 8.524 5.482 -12.039 1.00 0.00 1CDR2598
+ATOM 2386 C GLU 73 7.549 4.837 -13.026 1.00 0.00 1CDR2599
+ATOM 2387 O GLU 73 7.940 4.089 -13.900 1.00 0.00 1CDR2600
+ATOM 2388 CB GLU 73 9.857 4.733 -12.076 1.00 0.00 1CDR2601
+ATOM 2389 CG GLU 73 10.910 5.605 -12.763 1.00 0.00 1CDR2602
+ATOM 2390 CD GLU 73 11.148 5.093 -14.184 1.00 0.00 1CDR2603
+ATOM 2391 OE1 GLU 73 10.486 4.145 -14.571 1.00 0.00 1CDR2604
+ATOM 2392 OE2 GLU 73 11.989 5.660 -14.863 1.00 0.00 1CDR2605
+ATOM 2393 H GLU 73 7.077 5.022 -10.509 1.00 0.00 1CDR2606
+ATOM 2394 HA GLU 73 8.684 6.514 -12.316 1.00 0.00 1CDR2607
+ATOM 2395 1HB GLU 73 10.173 4.512 -11.067 1.00 0.00 1CDR2608
+ATOM 2396 2HB GLU 73 9.739 3.812 -12.627 1.00 0.00 1CDR2609
+ATOM 2397 1HG GLU 73 10.560 6.627 -12.801 1.00 0.00 1CDR2610
+ATOM 2398 2HG GLU 73 11.834 5.561 -12.207 1.00 0.00 1CDR2611
+ATOM 2399 N GLN 74 6.282 5.123 -12.898 1.00 0.00 1CDR2612
+ATOM 2400 CA GLN 74 5.285 4.529 -13.833 1.00 0.00 1CDR2613
+ATOM 2401 C GLN 74 4.116 5.499 -14.017 1.00 0.00 1CDR2614
+ATOM 2402 O GLN 74 3.059 5.131 -14.492 1.00 0.00 1CDR2615
+ATOM 2403 CB GLN 74 4.767 3.210 -13.258 1.00 0.00 1CDR2616
+ATOM 2404 CG GLN 74 4.522 2.220 -14.397 1.00 0.00 1CDR2617
+ATOM 2405 CD GLN 74 5.853 1.613 -14.845 1.00 0.00 1CDR2618
+ATOM 2406 OE1 GLN 74 6.851 2.300 -14.924 1.00 0.00 1CDR2619
+ATOM 2407 NE2 GLN 74 5.910 0.344 -15.143 1.00 0.00 1CDR2620
+ATOM 2408 H GLN 74 5.986 5.731 -12.188 1.00 0.00 1CDR2621
+ATOM 2409 HA GLN 74 5.753 4.345 -14.789 1.00 0.00 1CDR2622
+ATOM 2410 1HB GLN 74 5.499 2.802 -12.576 1.00 0.00 1CDR2623
+ATOM 2411 2HB GLN 74 3.842 3.385 -12.731 1.00 0.00 1CDR2624
+ATOM 2412 1HG GLN 74 3.864 1.433 -14.055 1.00 0.00 1CDR2625
+ATOM 2413 2HG GLN 74 4.066 2.733 -15.230 1.00 0.00 1CDR2626
+ATOM 2414 1HE2 GLN 74 6.757 -0.053 -15.432 1.00 0.00 1CDR2627
+ATOM 2415 2HE2 GLN 74 5.105 -0.210 -15.080 1.00 0.00 1CDR2628
+ATOM 2416 N LEU 75 4.298 6.736 -13.646 1.00 0.00 1CDR2629
+ATOM 2417 CA LEU 75 3.204 7.733 -13.800 1.00 0.00 1CDR2630
+ATOM 2418 C LEU 75 3.813 9.131 -13.913 1.00 0.00 1CDR2631
+ATOM 2419 O LEU 75 3.163 10.127 -13.667 1.00 0.00 1CDR2632
+ATOM 2420 CB LEU 75 2.278 7.672 -12.582 1.00 0.00 1CDR2633
+ATOM 2421 CG LEU 75 0.851 8.025 -13.004 1.00 0.00 1CDR2634
+ATOM 2422 CD1 LEU 75 -0.058 6.814 -12.795 1.00 0.00 1CDR2635
+ATOM 2423 CD2 LEU 75 0.345 9.195 -12.158 1.00 0.00 1CDR2636
+ATOM 2424 H LEU 75 5.159 7.011 -13.267 1.00 0.00 1CDR2637
+ATOM 2425 HA LEU 75 2.638 7.512 -14.694 1.00 0.00 1CDR2638
+ATOM 2426 1HB LEU 75 2.296 6.675 -12.167 1.00 0.00 1CDR2639
+ATOM 2427 2HB LEU 75 2.616 8.378 -11.838 1.00 0.00 1CDR2640
+ATOM 2428 HG LEU 75 0.845 8.304 -14.049 1.00 0.00 1CDR2641
+ATOM 2429 1HD1 LEU 75 0.046 6.455 -11.782 1.00 0.00 1CDR2642
+ATOM 2430 2HD1 LEU 75 -1.085 7.100 -12.971 1.00 0.00 1CDR2643
+ATOM 2431 3HD1 LEU 75 0.220 6.031 -13.485 1.00 0.00 1CDR2644
+ATOM 2432 1HD2 LEU 75 0.721 9.100 -11.150 1.00 0.00 1CDR2645
+ATOM 2433 2HD2 LEU 75 0.689 10.125 -12.585 1.00 0.00 1CDR2646
+ATOM 2434 3HD2 LEU 75 -0.736 9.185 -12.140 1.00 0.00 1CDR2647
+ATOM 2435 N GLU 76 5.062 9.209 -14.285 1.00 0.00 1CDR2648
+ATOM 2436 CA GLU 76 5.723 10.537 -14.417 1.00 0.00 1CDR2649
+ATOM 2437 C GLU 76 5.033 11.345 -15.517 1.00 0.00 1CDR2650
+ATOM 2438 O GLU 76 4.705 10.829 -16.568 1.00 0.00 1CDR2651
+ATOM 2439 CB GLU 76 7.196 10.338 -14.780 1.00 0.00 1CDR2652
+ATOM 2440 CG GLU 76 8.057 11.331 -13.994 1.00 0.00 1CDR2653
+ATOM 2441 CD GLU 76 9.403 10.687 -13.661 1.00 0.00 1CDR2654
+ATOM 2442 OE1 GLU 76 9.888 9.918 -14.475 1.00 0.00 1CDR2655
+ATOM 2443 OE2 GLU 76 9.928 10.973 -12.597 1.00 0.00 1CDR2656
+ATOM 2444 H GLU 76 5.566 8.391 -14.479 1.00 0.00 1CDR2657
+ATOM 2445 HA GLU 76 5.652 11.070 -13.479 1.00 0.00 1CDR2658
+ATOM 2446 1HB GLU 76 7.494 9.329 -14.533 1.00 0.00 1CDR2659
+ATOM 2447 2HB GLU 76 7.332 10.507 -15.837 1.00 0.00 1CDR2660
+ATOM 2448 1HG GLU 76 8.218 12.217 -14.591 1.00 0.00 1CDR2661
+ATOM 2449 2HG GLU 76 7.551 11.599 -13.078 1.00 0.00 1CDR2662
+ATOM 2450 N ASN 77 4.808 12.608 -15.286 1.00 0.00 1CDR2663
+ATOM 2451 CA ASN 77 4.138 13.448 -16.319 1.00 0.00 1CDR2664
+ATOM 2452 C ASN 77 5.007 14.668 -16.630 1.00 0.00 1CDR2665
+ATOM 2453 O ASN 77 6.130 14.708 -16.155 1.00 0.00 1CDR2666
+ATOM 2454 CB ASN 77 2.776 13.911 -15.795 1.00 0.00 1CDR2667
+ATOM 2455 CG ASN 77 1.889 12.691 -15.532 1.00 0.00 1CDR2668
+ATOM 2456 OD1 ASN 77 1.196 12.228 -16.416 1.00 0.00 1CDR2669
+ATOM 2457 ND2 ASN 77 1.883 12.149 -14.346 1.00 0.00 1CDR2670
+ATOM 2458 OXT ASN 77 4.535 15.542 -17.338 1.00 0.00 1CDR2671
+ATOM 2459 H ASN 77 5.080 13.007 -14.432 1.00 0.00 1CDR2672
+ATOM 2460 HA ASN 77 3.998 12.867 -17.219 1.00 0.00 1CDR2673
+ATOM 2461 1HB ASN 77 2.914 14.461 -14.875 1.00 0.00 1CDR2674
+ATOM 2462 2HB ASN 77 2.304 14.546 -16.529 1.00 0.00 1CDR2675
+ATOM 2463 1HD2 ASN 77 1.317 11.369 -14.167 1.00 0.00 1CDR2676
+ATOM 2464 2HD2 ASN 77 2.443 12.522 -13.633 1.00 0.00 1CDR2677
+TER 2465 ASN 77 1CDR2678
+HETATM 2466 C1 NAG 78 9.243 -13.060 -2.074 1.00 0.00 1 1CDR2679
+HETATM 2467 C2 NAG 78 10.650 -12.611 -1.702 1.00 0.00 1 1CDR2680
+HETATM 2468 C3 NAG 78 11.625 -13.167 -2.723 1.00 0.00 1 1CDR2681
+HETATM 2469 C4 NAG 78 11.510 -14.679 -2.714 1.00 0.00 1 1CDR2682
+HETATM 2470 C5 NAG 78 10.076 -15.067 -3.066 1.00 0.00 1 1CDR2683
+HETATM 2471 C6 NAG 78 9.849 -16.566 -3.073 1.00 0.00 1 1CDR2684
+HETATM 2472 C7 NAG 78 10.421 -10.513 -0.588 1.00 0.00 1 1CDR2685
+HETATM 2473 C8 NAG 78 10.520 -8.997 -0.631 1.00 0.00 1 1CDR2686
+HETATM 2474 N2 NAG 78 10.723 -11.164 -1.677 1.00 0.00 1 1CDR2687
+HETATM 2475 O3 NAG 78 12.949 -12.767 -2.401 1.00 0.00 1 1CDR2688
+HETATM 2476 O4 NAG 78 12.430 -15.247 -3.664 1.00 0.00 1 1CDR2689
+HETATM 2477 O5 NAG 78 9.163 -14.494 -2.102 1.00 0.00 1 1CDR2690
+HETATM 2478 O6 NAG 78 8.550 -16.868 -3.620 1.00 0.00 1 1CDR2691
+HETATM 2479 O7 NAG 78 10.074 -11.097 0.420 1.00 0.00 1 1CDR2692
+HETATM 2480 H1 NAG 78 8.985 -12.695 -3.080 1.00 0.00 1 1CDR2693
+HETATM 2481 H2 NAG 78 10.903 -13.013 -0.711 1.00 0.00 1 1CDR2694
+HETATM 2482 H3 NAG 78 11.349 -12.793 -3.720 1.00 0.00 1 1CDR2695
+HETATM 2483 H4 NAG 78 11.740 -15.046 -1.703 1.00 0.00 1 1CDR2696
+HETATM 2484 H5 NAG 78 9.822 -14.657 -4.054 1.00 0.00 1 1CDR2697
+HETATM 2485 1H6 NAG 78 9.926 -16.945 -2.044 1.00 0.00 1 1CDR2698
+HETATM 2486 2H6 NAG 78 10.635 -17.045 -3.674 1.00 0.00 1 1CDR2699
+HETATM 2487 1H8 NAG 78 10.769 -8.602 0.364 1.00 0.00 1 1CDR2700
+HETATM 2488 2H8 NAG 78 9.564 -8.561 -0.953 1.00 0.00 1 1CDR2701
+HETATM 2489 3H8 NAG 78 11.302 -8.686 -1.337 1.00 0.00 1 1CDR2702
+HETATM 2490 HN2 NAG 78 11.001 -10.674 -2.479 1.00 0.00 1 1CDR2703
+HETATM 2491 HO3 NAG 78 13.283 -12.186 -3.088 1.00 0.00 1 1CDR2704
+HETATM 2492 C1 NAG 79 13.587 -15.789 -3.130 1.00 0.00 1CDR2705
+HETATM 2493 C2 NAG 79 13.839 -17.165 -3.730 1.00 0.00 1CDR2706
+HETATM 2494 C3 NAG 79 15.126 -17.721 -3.147 1.00 0.00 1CDR2707
+HETATM 2495 C4 NAG 79 16.251 -16.759 -3.480 1.00 0.00 1CDR2708
+HETATM 2496 C5 NAG 79 15.928 -15.392 -2.882 1.00 0.00 1CDR2709
+HETATM 2497 C6 NAG 79 16.991 -14.351 -3.169 1.00 0.00 1CDR2710
+HETATM 2498 C7 NAG 79 12.375 -18.264 -2.198 1.00 0.00 1CDR2711
+HETATM 2499 C8 NAG 79 11.203 -19.199 -1.956 1.00 0.00 1CDR2712
+HETATM 2500 N2 NAG 79 12.729 -18.049 -3.435 1.00 0.00 1CDR2713
+HETATM 2501 O3 NAG 79 15.395 -19.005 -3.695 1.00 0.00 1CDR2714
+HETATM 2502 O4 NAG 79 17.477 -17.246 -2.952 1.00 0.00 1CDR2715
+HETATM 2503 O5 NAG 79 14.678 -14.902 -3.420 1.00 0.00 1CDR2716
+HETATM 2504 O6 NAG 79 18.133 -14.541 -2.348 1.00 0.00 1CDR2717
+HETATM 2505 O7 NAG 79 12.965 -17.738 -1.274 1.00 0.00 1CDR2718
+HETATM 2506 H1 NAG 79 13.499 -15.863 -2.035 1.00 0.00 1CDR2719
+HETATM 2507 H2 NAG 79 13.954 -17.064 -4.818 1.00 0.00 1CDR2720
+HETATM 2508 H3 NAG 79 15.024 -17.789 -2.056 1.00 0.00 1CDR2721
+HETATM 2509 H4 NAG 79 16.324 -16.660 -4.573 1.00 0.00 1CDR2722
+HETATM 2510 H5 NAG 79 15.806 -15.494 -1.793 1.00 0.00 1CDR2723
+HETATM 2511 1H6 NAG 79 16.565 -13.353 -2.995 1.00 0.00 1CDR2724
+HETATM 2512 2H6 NAG 79 17.274 -14.417 -4.229 1.00 0.00 1CDR2725
+HETATM 2513 1H8 NAG 79 10.305 -18.826 -2.472 1.00 0.00 1CDR2726
+HETATM 2514 2H8 NAG 79 10.986 -19.269 -0.880 1.00 0.00 1CDR2727
+HETATM 2515 3H8 NAG 79 11.432 -20.205 -2.334 1.00 0.00 1CDR2728
+HETATM 2516 HN2 NAG 79 12.244 -18.488 -4.166 1.00 0.00 1CDR2729
+HETATM 2517 HO4 NAG 79 17.480 -17.128 -1.999 1.00 0.00 1CDR2730
+HETATM 2518 HO3 NAG 79 16.126 -19.406 -3.220 1.00 0.00 1CDR2731
+HETATM 2519 HO6 NAG 79 18.472 -13.686 -2.072 1.00 0.00 1CDR2732
+HETATM 2520 C1 FUC 80 7.695 -17.407 -2.654 1.00 0.00 1CDR2733
+HETATM 2521 C2 FUC 80 6.334 -16.729 -2.757 1.00 0.00 1CDR2734
+HETATM 2522 C3 FUC 80 5.724 -17.055 -4.112 1.00 0.00 1CDR2735
+HETATM 2523 C4 FUC 80 5.591 -18.565 -4.219 1.00 0.00 1CDR2736
+HETATM 2524 C5 FUC 80 6.976 -19.191 -4.081 1.00 0.00 1CDR2737
+HETATM 2525 C6 FUC 80 6.953 -20.705 -4.151 1.00 0.00 1CDR2738
+HETATM 2526 O2 FUC 80 6.482 -15.324 -2.615 1.00 0.00 1CDR2739
+HETATM 2527 O3 FUC 80 4.450 -16.436 -4.233 1.00 0.00 1CDR2740
+HETATM 2528 O4 FUC 80 4.728 -19.050 -3.199 1.00 0.00 1CDR2741
+HETATM 2529 O5 FUC 80 7.551 -18.818 -2.810 1.00 0.00 1CDR2742
+HETATM 2530 H1 FUC 80 8.123 -17.236 -1.653 1.00 0.00 1CDR2743
+HETATM 2531 H2 FUC 80 5.679 -17.122 -1.967 1.00 0.00 1CDR2744
+HETATM 2532 H3 FUC 80 6.397 -16.697 -4.903 1.00 0.00 1CDR2745
+HETATM 2533 H4 FUC 80 5.184 -18.817 -5.208 1.00 0.00 1CDR2746
+HETATM 2534 H5 FUC 80 7.632 -18.802 -4.873 1.00 0.00 1CDR2747
+HETATM 2535 1H6 FUC 80 7.576 -21.051 -4.988 1.00 0.00 1CDR2748
+HETATM 2536 2H6 FUC 80 5.923 -21.057 -4.303 1.00 0.00 1CDR2749
+HETATM 2537 3H6 FUC 80 7.343 -21.129 -3.215 1.00 0.00 1CDR2750
+HETATM 2538 HO2 FUC 80 6.585 -14.925 -3.482 1.00 0.00 1CDR2751
+HETATM 2539 HO3 FUC 80 4.508 -15.709 -4.857 1.00 0.00 1CDR2752
+HETATM 2540 HO4 FUC 80 5.172 -19.747 -2.710 1.00 0.00 1CDR2753
+ENDMDL 1CDR2754
+MODEL 3 1CDR2755
+ATOM 2541 N LEU 1 3.893 -12.035 -5.370 1.00 0.00 1CDR2756
+ATOM 2542 CA LEU 1 4.046 -10.670 -5.947 1.00 0.00 1CDR2757
+ATOM 2543 C LEU 1 4.544 -9.711 -4.864 1.00 0.00 1CDR2758
+ATOM 2544 O LEU 1 3.839 -9.393 -3.927 1.00 0.00 1CDR2759
+ATOM 2545 CB LEU 1 2.695 -10.186 -6.479 1.00 0.00 1CDR2760
+ATOM 2546 CG LEU 1 2.705 -10.236 -8.008 1.00 0.00 1CDR2761
+ATOM 2547 CD1 LEU 1 1.327 -10.665 -8.513 1.00 0.00 1CDR2762
+ATOM 2548 CD2 LEU 1 3.042 -8.850 -8.561 1.00 0.00 1CDR2763
+ATOM 2549 1H LEU 1 3.444 -11.968 -4.436 1.00 0.00 1CDR2764
+ATOM 2550 2H LEU 1 3.299 -12.611 -5.998 1.00 0.00 1CDR2765
+ATOM 2551 3H LEU 1 4.830 -12.478 -5.276 1.00 0.00 1CDR2766
+ATOM 2552 HA LEU 1 4.761 -10.698 -6.756 1.00 0.00 1CDR2767
+ATOM 2553 1HB LEU 1 1.911 -10.825 -6.101 1.00 0.00 1CDR2768
+ATOM 2554 2HB LEU 1 2.523 -9.171 -6.155 1.00 0.00 1CDR2769
+ATOM 2555 HG LEU 1 3.447 -10.949 -8.339 1.00 0.00 1CDR2770
+ATOM 2556 1HD1 LEU 1 0.802 -11.187 -7.727 1.00 0.00 1CDR2771
+ATOM 2557 2HD1 LEU 1 0.763 -9.792 -8.805 1.00 0.00 1CDR2772
+ATOM 2558 3HD1 LEU 1 1.444 -11.320 -9.364 1.00 0.00 1CDR2773
+ATOM 2559 1HD2 LEU 1 3.982 -8.516 -8.145 1.00 0.00 1CDR2774
+ATOM 2560 2HD2 LEU 1 3.123 -8.902 -9.636 1.00 0.00 1CDR2775
+ATOM 2561 3HD2 LEU 1 2.262 -8.155 -8.291 1.00 0.00 1CDR2776
+ATOM 2562 N GLN 2 5.757 -9.249 -4.988 1.00 0.00 1CDR2777
+ATOM 2563 CA GLN 2 6.309 -8.311 -3.970 1.00 0.00 1CDR2778
+ATOM 2564 C GLN 2 5.885 -6.883 -4.306 1.00 0.00 1CDR2779
+ATOM 2565 O GLN 2 5.487 -6.586 -5.414 1.00 0.00 1CDR2780
+ATOM 2566 CB GLN 2 7.837 -8.405 -3.972 1.00 0.00 1CDR2781
+ATOM 2567 CG GLN 2 8.275 -9.601 -3.125 1.00 0.00 1CDR2782
+ATOM 2568 CD GLN 2 8.998 -10.617 -4.010 1.00 0.00 1CDR2783
+ATOM 2569 OE1 GLN 2 8.975 -10.512 -5.220 1.00 0.00 1CDR2784
+ATOM 2570 NE2 GLN 2 9.643 -11.606 -3.453 1.00 0.00 1CDR2785
+ATOM 2571 H GLN 2 6.308 -9.520 -5.752 1.00 0.00 1CDR2786
+ATOM 2572 HA GLN 2 5.935 -8.572 -2.992 1.00 0.00 1CDR2787
+ATOM 2573 1HB GLN 2 8.189 -8.531 -4.987 1.00 0.00 1CDR2788
+ATOM 2574 2HB GLN 2 8.254 -7.499 -3.556 1.00 0.00 1CDR2789
+ATOM 2575 1HG GLN 2 8.942 -9.264 -2.344 1.00 0.00 1CDR2790
+ATOM 2576 2HG GLN 2 7.407 -10.065 -2.683 1.00 0.00 1CDR2791
+ATOM 2577 1HE2 GLN 2 10.110 -12.262 -4.011 1.00 0.00 1CDR2792
+ATOM 2578 2HE2 GLN 2 9.661 -11.692 -2.478 1.00 0.00 1CDR2793
+ATOM 2579 N CYS 3 5.964 -6.000 -3.353 1.00 0.00 1CDR2794
+ATOM 2580 CA CYS 3 5.564 -4.587 -3.609 1.00 0.00 1CDR2795
+ATOM 2581 C CYS 3 6.191 -3.674 -2.552 1.00 0.00 1CDR2796
+ATOM 2582 O CYS 3 6.722 -4.132 -1.558 1.00 0.00 1CDR2797
+ATOM 2583 CB CYS 3 4.042 -4.469 -3.543 1.00 0.00 1CDR2798
+ATOM 2584 SG CYS 3 3.328 -4.924 -5.143 1.00 0.00 1CDR2799
+ATOM 2585 H CYS 3 6.285 -6.268 -2.467 1.00 0.00 1CDR2800
+ATOM 2586 HA CYS 3 5.901 -4.289 -4.586 1.00 0.00 1CDR2801
+ATOM 2587 1HB CYS 3 3.669 -5.133 -2.782 1.00 0.00 1CDR2802
+ATOM 2588 2HB CYS 3 3.769 -3.452 -3.300 1.00 0.00 1CDR2803
+ATOM 2589 N TYR 4 6.135 -2.385 -2.757 1.00 0.00 1CDR2804
+ATOM 2590 CA TYR 4 6.725 -1.444 -1.764 1.00 0.00 1CDR2805
+ATOM 2591 C TYR 4 5.666 -1.077 -0.722 1.00 0.00 1CDR2806
+ATOM 2592 O TYR 4 4.862 -0.188 -0.926 1.00 0.00 1CDR2807
+ATOM 2593 CB TYR 4 7.202 -0.176 -2.477 1.00 0.00 1CDR2808
+ATOM 2594 CG TYR 4 8.327 -0.521 -3.423 1.00 0.00 1CDR2809
+ATOM 2595 CD1 TYR 4 8.041 -0.949 -4.724 1.00 0.00 1CDR2810
+ATOM 2596 CD2 TYR 4 9.656 -0.409 -2.999 1.00 0.00 1CDR2811
+ATOM 2597 CE1 TYR 4 9.085 -1.267 -5.602 1.00 0.00 1CDR2812
+ATOM 2598 CE2 TYR 4 10.701 -0.726 -3.876 1.00 0.00 1CDR2813
+ATOM 2599 CZ TYR 4 10.415 -1.154 -5.179 1.00 0.00 1CDR2814
+ATOM 2600 OH TYR 4 11.442 -1.466 -6.044 1.00 0.00 1CDR2815
+ATOM 2601 H TYR 4 5.701 -2.036 -3.563 1.00 0.00 1CDR2816
+ATOM 2602 HA TYR 4 7.563 -1.918 -1.273 1.00 0.00 1CDR2817
+ATOM 2603 1HB TYR 4 6.381 0.253 -3.034 1.00 0.00 1CDR2818
+ATOM 2604 2HB TYR 4 7.553 0.537 -1.746 1.00 0.00 1CDR2819
+ATOM 2605 HD1 TYR 4 7.015 -1.036 -5.051 1.00 0.00 1CDR2820
+ATOM 2606 HD2 TYR 4 9.877 -0.078 -1.995 1.00 0.00 1CDR2821
+ATOM 2607 HE1 TYR 4 8.864 -1.597 -6.607 1.00 0.00 1CDR2822
+ATOM 2608 HE2 TYR 4 11.727 -0.640 -3.550 1.00 0.00 1CDR2823
+ATOM 2609 HH TYR 4 11.263 -1.036 -6.884 1.00 0.00 1CDR2824
+ATOM 2610 N ASN 5 5.656 -1.757 0.392 1.00 0.00 1CDR2825
+ATOM 2611 CA ASN 5 4.646 -1.453 1.445 1.00 0.00 1CDR2826
+ATOM 2612 C ASN 5 5.207 -0.407 2.412 1.00 0.00 1CDR2827
+ATOM 2613 O ASN 5 6.340 -0.490 2.841 1.00 0.00 1CDR2828
+ATOM 2614 CB ASN 5 4.319 -2.736 2.214 1.00 0.00 1CDR2829
+ATOM 2615 CG ASN 5 3.383 -2.410 3.380 1.00 0.00 1CDR2830
+ATOM 2616 OD1 ASN 5 2.915 -1.297 3.506 1.00 0.00 1CDR2831
+ATOM 2617 ND2 ASN 5 3.089 -3.344 4.243 1.00 0.00 1CDR2832
+ATOM 2618 H ASN 5 6.311 -2.472 0.533 1.00 0.00 1CDR2833
+ATOM 2619 HA ASN 5 3.748 -1.072 0.983 1.00 0.00 1CDR2834
+ATOM 2620 1HB ASN 5 3.837 -3.440 1.550 1.00 0.00 1CDR2835
+ATOM 2621 2HB ASN 5 5.231 -3.168 2.598 1.00 0.00 1CDR2836
+ATOM 2622 1HD2 ASN 5 2.492 -3.146 4.994 1.00 0.00 1CDR2837
+ATOM 2623 2HD2 ASN 5 3.466 -4.242 4.140 1.00 0.00 1CDR2838
+ATOM 2624 N CYS 6 4.420 0.576 2.759 1.00 0.00 1CDR2839
+ATOM 2625 CA CYS 6 4.907 1.626 3.699 1.00 0.00 1CDR2840
+ATOM 2626 C CYS 6 3.777 2.010 4.663 1.00 0.00 1CDR2841
+ATOM 2627 O CYS 6 2.619 1.979 4.300 1.00 0.00 1CDR2842
+ATOM 2628 CB CYS 6 5.343 2.860 2.907 1.00 0.00 1CDR2843
+ATOM 2629 SG CYS 6 7.075 3.235 3.275 1.00 0.00 1CDR2844
+ATOM 2630 H CYS 6 3.509 0.623 2.403 1.00 0.00 1CDR2845
+ATOM 2631 HA CYS 6 5.746 1.244 4.261 1.00 0.00 1CDR2846
+ATOM 2632 1HB CYS 6 5.232 2.667 1.850 1.00 0.00 1CDR2847
+ATOM 2633 2HB CYS 6 4.726 3.701 3.186 1.00 0.00 1CDR2848
+ATOM 2634 N PRO 7 4.153 2.355 5.868 1.00 0.00 1CDR2849
+ATOM 2635 CA PRO 7 3.196 2.747 6.919 1.00 0.00 1CDR2850
+ATOM 2636 C PRO 7 2.727 4.193 6.719 1.00 0.00 1CDR2851
+ATOM 2637 O PRO 7 1.852 4.671 7.415 1.00 0.00 1CDR2852
+ATOM 2638 CB PRO 7 4.008 2.617 8.209 1.00 0.00 1CDR2853
+ATOM 2639 CG PRO 7 5.497 2.722 7.799 1.00 0.00 1CDR2854
+ATOM 2640 CD PRO 7 5.566 2.384 6.297 1.00 0.00 1CDR2855
+ATOM 2641 HA PRO 7 2.356 2.072 6.943 1.00 0.00 1CDR2856
+ATOM 2642 1HB PRO 7 3.750 3.415 8.891 1.00 0.00 1CDR2857
+ATOM 2643 2HB PRO 7 3.825 1.658 8.669 1.00 0.00 1CDR2858
+ATOM 2644 1HG PRO 7 5.856 3.727 7.972 1.00 0.00 1CDR2859
+ATOM 2645 2HG PRO 7 6.087 2.013 8.360 1.00 0.00 1CDR2860
+ATOM 2646 1HD PRO 7 6.111 3.150 5.763 1.00 0.00 1CDR2861
+ATOM 2647 2HD PRO 7 6.021 1.417 6.148 1.00 0.00 1CDR2862
+ATOM 2648 N ASN 8 3.302 4.896 5.781 1.00 0.00 1CDR2863
+ATOM 2649 CA ASN 8 2.882 6.308 5.551 1.00 0.00 1CDR2864
+ATOM 2650 C ASN 8 2.917 6.621 4.055 1.00 0.00 1CDR2865
+ATOM 2651 O ASN 8 3.646 5.999 3.309 1.00 0.00 1CDR2866
+ATOM 2652 CB ASN 8 3.834 7.251 6.291 1.00 0.00 1CDR2867
+ATOM 2653 CG ASN 8 5.268 6.732 6.161 1.00 0.00 1CDR2868
+ATOM 2654 OD1 ASN 8 5.546 5.595 6.486 1.00 0.00 1CDR2869
+ATOM 2655 ND2 ASN 8 6.195 7.522 5.695 1.00 0.00 1CDR2870
+ATOM 2656 H ASN 8 4.008 4.498 5.231 1.00 0.00 1CDR2871
+ATOM 2657 HA ASN 8 1.879 6.450 5.922 1.00 0.00 1CDR2872
+ATOM 2658 1HB ASN 8 3.766 8.240 5.861 1.00 0.00 1CDR2873
+ATOM 2659 2HB ASN 8 3.562 7.292 7.335 1.00 0.00 1CDR2874
+ATOM 2660 1HD2 ASN 8 7.116 7.200 5.609 1.00 0.00 1CDR2875
+ATOM 2661 2HD2 ASN 8 5.971 8.439 5.431 1.00 0.00 1CDR2876
+ATOM 2662 N PRO 9 2.120 7.582 3.662 1.00 0.00 1CDR2877
+ATOM 2663 CA PRO 9 2.029 8.012 2.258 1.00 0.00 1CDR2878
+ATOM 2664 C PRO 9 3.225 8.886 1.890 1.00 0.00 1CDR2879
+ATOM 2665 O PRO 9 3.149 10.099 1.875 1.00 0.00 1CDR2880
+ATOM 2666 CB PRO 9 0.725 8.809 2.207 1.00 0.00 1CDR2881
+ATOM 2667 CG PRO 9 0.438 9.268 3.657 1.00 0.00 1CDR2882
+ATOM 2668 CD PRO 9 1.239 8.331 4.582 1.00 0.00 1CDR2883
+ATOM 2669 HA PRO 9 1.971 7.159 1.603 1.00 0.00 1CDR2884
+ATOM 2670 1HB PRO 9 0.840 9.667 1.558 1.00 0.00 1CDR2885
+ATOM 2671 2HB PRO 9 -0.081 8.183 1.858 1.00 0.00 1CDR2886
+ATOM 2672 1HG PRO 9 0.761 10.291 3.793 1.00 0.00 1CDR2887
+ATOM 2673 2HG PRO 9 -0.616 9.179 3.872 1.00 0.00 1CDR2888
+ATOM 2674 1HD PRO 9 1.822 8.906 5.288 1.00 0.00 1CDR2889
+ATOM 2675 2HD PRO 9 0.578 7.651 5.098 1.00 0.00 1CDR2890
+ATOM 2676 N THR 10 4.329 8.269 1.591 1.00 0.00 1CDR2891
+ATOM 2677 CA THR 10 5.546 9.044 1.217 1.00 0.00 1CDR2892
+ATOM 2678 C THR 10 5.755 8.965 -0.296 1.00 0.00 1CDR2893
+ATOM 2679 O THR 10 5.029 8.287 -0.998 1.00 0.00 1CDR2894
+ATOM 2680 CB THR 10 6.764 8.454 1.931 1.00 0.00 1CDR2895
+ATOM 2681 OG1 THR 10 7.939 9.118 1.487 1.00 0.00 1CDR2896
+ATOM 2682 CG2 THR 10 6.868 6.962 1.616 1.00 0.00 1CDR2897
+ATOM 2683 H THR 10 4.356 7.289 1.612 1.00 0.00 1CDR2898
+ATOM 2684 HA THR 10 5.420 10.076 1.511 1.00 0.00 1CDR2899
+ATOM 2685 HB THR 10 6.656 8.587 2.997 1.00 0.00 1CDR2900
+ATOM 2686 HG1 THR 10 8.054 9.906 2.021 1.00 0.00 1CDR2901
+ATOM 2687 1HG2 THR 10 6.399 6.763 0.664 1.00 0.00 1CDR2902
+ATOM 2688 2HG2 THR 10 7.906 6.675 1.574 1.00 0.00 1CDR2903
+ATOM 2689 3HG2 THR 10 6.368 6.395 2.388 1.00 0.00 1CDR2904
+ATOM 2690 N ALA 11 6.742 9.649 -0.807 1.00 0.00 1CDR2905
+ATOM 2691 CA ALA 11 6.997 9.608 -2.275 1.00 0.00 1CDR2906
+ATOM 2692 C ALA 11 8.382 9.007 -2.528 1.00 0.00 1CDR2907
+ATOM 2693 O ALA 11 9.112 9.445 -3.395 1.00 0.00 1CDR2908
+ATOM 2694 CB ALA 11 6.941 11.028 -2.844 1.00 0.00 1CDR2909
+ATOM 2695 H ALA 11 7.318 10.188 -0.224 1.00 0.00 1CDR2910
+ATOM 2696 HA ALA 11 6.246 8.997 -2.753 1.00 0.00 1CDR2911
+ATOM 2697 1HB ALA 11 6.229 11.613 -2.281 1.00 0.00 1CDR2912
+ATOM 2698 2HB ALA 11 7.918 11.484 -2.773 1.00 0.00 1CDR2913
+ATOM 2699 3HB ALA 11 6.635 10.989 -3.880 1.00 0.00 1CDR2914
+ATOM 2700 N ASP 12 8.748 8.005 -1.776 1.00 0.00 1CDR2915
+ATOM 2701 CA ASP 12 10.083 7.372 -1.969 1.00 0.00 1CDR2916
+ATOM 2702 C ASP 12 10.262 6.247 -0.946 1.00 0.00 1CDR2917
+ATOM 2703 O ASP 12 11.271 6.159 -0.274 1.00 0.00 1CDR2918
+ATOM 2704 CB ASP 12 11.179 8.421 -1.771 1.00 0.00 1CDR2919
+ATOM 2705 CG ASP 12 12.135 8.394 -2.965 1.00 0.00 1CDR2920
+ATOM 2706 OD1 ASP 12 12.483 7.306 -3.396 1.00 0.00 1CDR2921
+ATOM 2707 OD2 ASP 12 12.502 9.461 -3.430 1.00 0.00 1CDR2922
+ATOM 2708 H ASP 12 8.142 7.667 -1.083 1.00 0.00 1CDR2923
+ATOM 2709 HA ASP 12 10.148 6.965 -2.967 1.00 0.00 1CDR2924
+ATOM 2710 1HB ASP 12 10.729 9.401 -1.691 1.00 0.00 1CDR2925
+ATOM 2711 2HB ASP 12 11.729 8.202 -0.869 1.00 0.00 1CDR2926
+ATOM 2712 N CYS 13 9.287 5.387 -0.823 1.00 0.00 1CDR2927
+ATOM 2713 CA CYS 13 9.392 4.270 0.157 1.00 0.00 1CDR2928
+ATOM 2714 C CYS 13 10.288 3.167 -0.413 1.00 0.00 1CDR2929
+ATOM 2715 O CYS 13 10.217 2.835 -1.580 1.00 0.00 1CDR2930
+ATOM 2716 CB CYS 13 7.998 3.701 0.430 1.00 0.00 1CDR2931
+ATOM 2717 SG CYS 13 8.099 2.440 1.725 1.00 0.00 1CDR2932
+ATOM 2718 H CYS 13 8.482 5.480 -1.374 1.00 0.00 1CDR2933
+ATOM 2719 HA CYS 13 9.818 4.637 1.079 1.00 0.00 1CDR2934
+ATOM 2720 1HB CYS 13 7.342 4.495 0.752 1.00 0.00 1CDR2935
+ATOM 2721 2HB CYS 13 7.608 3.258 -0.474 1.00 0.00 1CDR2936
+ATOM 2722 N LYS 14 11.129 2.595 0.405 1.00 0.00 1CDR2937
+ATOM 2723 CA LYS 14 12.028 1.511 -0.081 1.00 0.00 1CDR2938
+ATOM 2724 C LYS 14 11.873 0.290 0.827 1.00 0.00 1CDR2939
+ATOM 2725 O LYS 14 12.806 -0.458 1.045 1.00 0.00 1CDR2940
+ATOM 2726 CB LYS 14 13.480 1.995 -0.043 1.00 0.00 1CDR2941
+ATOM 2727 CG LYS 14 13.934 2.362 -1.458 1.00 0.00 1CDR2942
+ATOM 2728 CD LYS 14 15.462 2.313 -1.532 1.00 0.00 1CDR2943
+ATOM 2729 CE LYS 14 15.981 3.565 -2.242 1.00 0.00 1CDR2944
+ATOM 2730 NZ LYS 14 16.048 4.694 -1.272 1.00 0.00 1CDR2945
+ATOM 2731 H LYS 14 11.167 2.878 1.343 1.00 0.00 1CDR2946
+ATOM 2732 HA LYS 14 11.761 1.246 -1.093 1.00 0.00 1CDR2947
+ATOM 2733 1HB LYS 14 13.553 2.863 0.596 1.00 0.00 1CDR2948
+ATOM 2734 2HB LYS 14 14.110 1.209 0.342 1.00 0.00 1CDR2949
+ATOM 2735 1HG LYS 14 13.516 1.660 -2.164 1.00 0.00 1CDR2950
+ATOM 2736 2HG LYS 14 13.597 3.360 -1.698 1.00 0.00 1CDR2951
+ATOM 2737 1HD LYS 14 15.870 2.270 -0.533 1.00 0.00 1CDR2952
+ATOM 2738 2HD LYS 14 15.768 1.437 -2.085 1.00 0.00 1CDR2953
+ATOM 2739 1HE LYS 14 16.967 3.372 -2.639 1.00 0.00 1CDR2954
+ATOM 2740 2HE LYS 14 15.313 3.824 -3.050 1.00 0.00 1CDR2955
+ATOM 2741 1HZ LYS 14 16.328 4.331 -0.337 1.00 0.00 1CDR2956
+ATOM 2742 2HZ LYS 14 16.748 5.390 -1.597 1.00 0.00 1CDR2957
+ATOM 2743 3HZ LYS 14 15.117 5.150 -1.203 1.00 0.00 1CDR2958
+ATOM 2744 N THR 15 10.700 0.086 1.362 1.00 0.00 1CDR2959
+ATOM 2745 CA THR 15 10.478 -1.081 2.262 1.00 0.00 1CDR2960
+ATOM 2746 C THR 15 9.993 -2.279 1.443 1.00 0.00 1CDR2961
+ATOM 2747 O THR 15 8.871 -2.723 1.584 1.00 0.00 1CDR2962
+ATOM 2748 CB THR 15 9.424 -0.717 3.310 1.00 0.00 1CDR2963
+ATOM 2749 OG1 THR 15 9.961 0.242 4.209 1.00 0.00 1CDR2964
+ATOM 2750 CG2 THR 15 9.016 -1.972 4.084 1.00 0.00 1CDR2965
+ATOM 2751 H THR 15 9.964 0.705 1.174 1.00 0.00 1CDR2966
+ATOM 2752 HA THR 15 11.405 -1.334 2.757 1.00 0.00 1CDR2967
+ATOM 2753 HB THR 15 8.555 -0.305 2.820 1.00 0.00 1CDR2968
+ATOM 2754 HG1 THR 15 10.902 0.072 4.297 1.00 0.00 1CDR2969
+ATOM 2755 1HG2 THR 15 9.835 -2.676 4.084 1.00 0.00 1CDR2970
+ATOM 2756 2HG2 THR 15 8.772 -1.704 5.102 1.00 0.00 1CDR2971
+ATOM 2757 3HG2 THR 15 8.154 -2.422 3.613 1.00 0.00 1CDR2972
+ATOM 2758 N ALA 16 10.828 -2.806 0.590 1.00 0.00 1CDR2973
+ATOM 2759 CA ALA 16 10.411 -3.976 -0.232 1.00 0.00 1CDR2974
+ATOM 2760 C ALA 16 9.927 -5.099 0.687 1.00 0.00 1CDR2975
+ATOM 2761 O ALA 16 10.574 -5.442 1.657 1.00 0.00 1CDR2976
+ATOM 2762 CB ALA 16 11.600 -4.471 -1.057 1.00 0.00 1CDR2977
+ATOM 2763 H ALA 16 11.729 -2.434 0.493 1.00 0.00 1CDR2978
+ATOM 2764 HA ALA 16 9.610 -3.683 -0.895 1.00 0.00 1CDR2979
+ATOM 2765 1HB ALA 16 12.111 -3.625 -1.495 1.00 0.00 1CDR2980
+ATOM 2766 2HB ALA 16 12.282 -5.012 -0.419 1.00 0.00 1CDR2981
+ATOM 2767 3HB ALA 16 11.248 -5.123 -1.842 1.00 0.00 1CDR2982
+ATOM 2768 N VAL 17 8.792 -5.671 0.392 1.00 0.00 1CDR2983
+ATOM 2769 CA VAL 17 8.267 -6.770 1.252 1.00 0.00 1CDR2984
+ATOM 2770 C VAL 17 7.271 -7.610 0.455 1.00 0.00 1CDR2985
+ATOM 2771 O VAL 17 6.654 -7.140 -0.481 1.00 0.00 1CDR2986
+ATOM 2772 CB VAL 17 7.561 -6.171 2.468 1.00 0.00 1CDR2987
+ATOM 2773 CG1 VAL 17 6.345 -5.363 2.008 1.00 0.00 1CDR2988
+ATOM 2774 CG2 VAL 17 7.103 -7.299 3.394 1.00 0.00 1CDR2989
+ATOM 2775 H VAL 17 8.285 -5.378 -0.393 1.00 0.00 1CDR2990
+ATOM 2776 HA VAL 17 9.082 -7.396 1.581 1.00 0.00 1CDR2991
+ATOM 2777 HB VAL 17 8.244 -5.521 2.998 1.00 0.00 1CDR2992
+ATOM 2778 1HG1 VAL 17 5.908 -5.834 1.140 1.00 0.00 1CDR2993
+ATOM 2779 2HG1 VAL 17 5.615 -5.327 2.803 1.00 0.00 1CDR2994
+ATOM 2780 3HG1 VAL 17 6.653 -4.359 1.755 1.00 0.00 1CDR2995
+ATOM 2781 1HG2 VAL 17 7.727 -8.166 3.240 1.00 0.00 1CDR2996
+ATOM 2782 2HG2 VAL 17 7.184 -6.977 4.422 1.00 0.00 1CDR2997
+ATOM 2783 3HG2 VAL 17 6.075 -7.549 3.176 1.00 0.00 1CDR2998
+ATOM 2784 N ASN 18 7.102 -8.851 0.821 1.00 0.00 1 1CDR2999
+ATOM 2785 CA ASN 18 6.138 -9.717 0.085 1.00 0.00 1 1CDR3000
+ATOM 2786 C ASN 18 4.713 -9.335 0.488 1.00 0.00 1 1CDR3001
+ATOM 2787 O ASN 18 4.470 -8.879 1.587 1.00 0.00 1 1CDR3002
+ATOM 2788 CB ASN 18 6.372 -11.191 0.431 1.00 0.00 1 1CDR3003
+ATOM 2789 CG ASN 18 7.817 -11.414 0.880 1.00 0.00 1 1CDR3004
+ATOM 2790 OD1 ASN 18 8.080 -12.200 1.769 1.00 0.00 1 1CDR3005
+ATOM 2791 ND2 ASN 18 8.755 -10.734 0.280 1.00 0.00 1 1CDR3006
+ATOM 2792 H ASN 18 7.606 -9.208 1.581 1.00 0.00 1 1CDR3007
+ATOM 2793 HA ASN 18 6.263 -9.571 -0.979 1.00 0.00 1 1CDR3008
+ATOM 2794 1HB ASN 18 5.702 -11.480 1.226 1.00 0.00 1 1CDR3009
+ATOM 2795 2HB ASN 18 6.173 -11.797 -0.440 1.00 0.00 1 1CDR3010
+ATOM 2796 HD2 ASN 18 8.526 -10.101 -0.431 1.00 0.00 1 1CDR3011
+ATOM 2797 N CYS 19 3.768 -9.520 -0.391 1.00 0.00 1CDR3012
+ATOM 2798 CA CYS 19 2.361 -9.170 -0.052 1.00 0.00 1CDR3013
+ATOM 2799 C CYS 19 1.696 -10.362 0.643 1.00 0.00 1CDR3014
+ATOM 2800 O CYS 19 2.301 -11.398 0.829 1.00 0.00 1CDR3015
+ATOM 2801 CB CYS 19 1.597 -8.833 -1.334 1.00 0.00 1CDR3016
+ATOM 2802 SG CYS 19 2.140 -7.222 -1.951 1.00 0.00 1CDR3017
+ATOM 2803 H CYS 19 3.983 -9.890 -1.273 1.00 0.00 1CDR3018
+ATOM 2804 HA CYS 19 2.350 -8.316 0.609 1.00 0.00 1CDR3019
+ATOM 2805 1HB CYS 19 1.796 -9.589 -2.079 1.00 0.00 1CDR3020
+ATOM 2806 2HB CYS 19 0.538 -8.803 -1.125 1.00 0.00 1CDR3021
+ATOM 2807 N SER 20 0.457 -10.223 1.028 1.00 0.00 1CDR3022
+ATOM 2808 CA SER 20 -0.240 -11.351 1.711 1.00 0.00 1CDR3023
+ATOM 2809 C SER 20 -1.240 -11.991 0.745 1.00 0.00 1CDR3024
+ATOM 2810 O SER 20 -1.106 -11.890 -0.458 1.00 0.00 1CDR3025
+ATOM 2811 CB SER 20 -0.982 -10.824 2.940 1.00 0.00 1CDR3026
+ATOM 2812 OG SER 20 -2.110 -10.068 2.521 1.00 0.00 1CDR3027
+ATOM 2813 H SER 20 -0.015 -9.380 0.869 1.00 0.00 1CDR3028
+ATOM 2814 HA SER 20 0.486 -12.090 2.017 1.00 0.00 1CDR3029
+ATOM 2815 1HB SER 20 -1.314 -11.651 3.545 1.00 0.00 1CDR3030
+ATOM 2816 2HB SER 20 -0.314 -10.202 3.522 1.00 0.00 1CDR3031
+ATOM 2817 HG SER 20 -2.141 -9.266 3.048 1.00 0.00 1CDR3032
+ATOM 2818 N SER 21 -2.241 -12.651 1.261 1.00 0.00 1CDR3033
+ATOM 2819 CA SER 21 -3.245 -13.295 0.369 1.00 0.00 1CDR3034
+ATOM 2820 C SER 21 -4.216 -12.233 -0.153 1.00 0.00 1CDR3035
+ATOM 2821 O SER 21 -4.283 -11.134 0.361 1.00 0.00 1CDR3036
+ATOM 2822 CB SER 21 -4.021 -14.356 1.153 1.00 0.00 1CDR3037
+ATOM 2823 OG SER 21 -3.611 -15.647 0.723 1.00 0.00 1CDR3038
+ATOM 2824 H SER 21 -2.332 -12.721 2.235 1.00 0.00 1CDR3039
+ATOM 2825 HA SER 21 -2.740 -13.760 -0.464 1.00 0.00 1CDR3040
+ATOM 2826 1HB SER 21 -3.817 -14.251 2.205 1.00 0.00 1CDR3041
+ATOM 2827 2HB SER 21 -5.081 -14.227 0.979 1.00 0.00 1CDR3042
+ATOM 2828 HG SER 21 -3.783 -16.265 1.436 1.00 0.00 1CDR3043
+ATOM 2829 N ASP 22 -4.968 -12.551 -1.170 1.00 0.00 1CDR3044
+ATOM 2830 CA ASP 22 -5.932 -11.558 -1.724 1.00 0.00 1CDR3045
+ATOM 2831 C ASP 22 -5.175 -10.303 -2.164 1.00 0.00 1CDR3046
+ATOM 2832 O ASP 22 -5.666 -9.198 -2.049 1.00 0.00 1CDR3047
+ATOM 2833 CB ASP 22 -6.954 -11.183 -0.649 1.00 0.00 1CDR3048
+ATOM 2834 CG ASP 22 -7.753 -12.425 -0.249 1.00 0.00 1CDR3049
+ATOM 2835 OD1 ASP 22 -7.164 -13.324 0.327 1.00 0.00 1CDR3050
+ATOM 2836 OD2 ASP 22 -8.941 -12.455 -0.525 1.00 0.00 1CDR3051
+ATOM 2837 H ASP 22 -4.899 -13.443 -1.572 1.00 0.00 1CDR3052
+ATOM 2838 HA ASP 22 -6.443 -11.987 -2.574 1.00 0.00 1CDR3053
+ATOM 2839 1HB ASP 22 -6.440 -10.791 0.216 1.00 0.00 1CDR3054
+ATOM 2840 2HB ASP 22 -7.628 -10.435 -1.039 1.00 0.00 1CDR3055
+ATOM 2841 N PHE 23 -3.983 -10.466 -2.669 1.00 0.00 1CDR3056
+ATOM 2842 CA PHE 23 -3.196 -9.283 -3.118 1.00 0.00 1CDR3057
+ATOM 2843 C PHE 23 -2.157 -9.726 -4.150 1.00 0.00 1CDR3058
+ATOM 2844 O PHE 23 -1.407 -10.656 -3.931 1.00 0.00 1CDR3059
+ATOM 2845 CB PHE 23 -2.490 -8.651 -1.916 1.00 0.00 1CDR3060
+ATOM 2846 CG PHE 23 -3.511 -7.965 -1.040 1.00 0.00 1CDR3061
+ATOM 2847 CD1 PHE 23 -4.379 -7.015 -1.592 1.00 0.00 1CDR3062
+ATOM 2848 CD2 PHE 23 -3.594 -8.282 0.322 1.00 0.00 1CDR3063
+ATOM 2849 CE1 PHE 23 -5.329 -6.380 -0.783 1.00 0.00 1CDR3064
+ATOM 2850 CE2 PHE 23 -4.544 -7.646 1.130 1.00 0.00 1CDR3065
+ATOM 2851 CZ PHE 23 -5.411 -6.695 0.578 1.00 0.00 1CDR3066
+ATOM 2852 H PHE 23 -3.605 -11.366 -2.755 1.00 0.00 1CDR3067
+ATOM 2853 HA PHE 23 -3.861 -8.559 -3.566 1.00 0.00 1CDR3068
+ATOM 2854 1HB PHE 23 -1.985 -9.420 -1.349 1.00 0.00 1CDR3069
+ATOM 2855 2HB PHE 23 -1.768 -7.926 -2.262 1.00 0.00 1CDR3070
+ATOM 2856 HD1 PHE 23 -4.315 -6.772 -2.642 1.00 0.00 1CDR3071
+ATOM 2857 HD2 PHE 23 -2.924 -9.015 0.747 1.00 0.00 1CDR3072
+ATOM 2858 HE1 PHE 23 -5.997 -5.647 -1.209 1.00 0.00 1CDR3073
+ATOM 2859 HE2 PHE 23 -4.608 -7.889 2.181 1.00 0.00 1CDR3074
+ATOM 2860 HZ PHE 23 -6.144 -6.206 1.203 1.00 0.00 1CDR3075
+ATOM 2861 N ASP 24 -2.111 -9.070 -5.279 1.00 0.00 1CDR3076
+ATOM 2862 CA ASP 24 -1.123 -9.459 -6.324 1.00 0.00 1CDR3077
+ATOM 2863 C ASP 24 -0.859 -8.270 -7.252 1.00 0.00 1CDR3078
+ATOM 2864 O ASP 24 0.256 -8.030 -7.665 1.00 0.00 1CDR3079
+ATOM 2865 CB ASP 24 -1.682 -10.626 -7.141 1.00 0.00 1CDR3080
+ATOM 2866 CG ASP 24 -3.125 -10.320 -7.545 1.00 0.00 1CDR3081
+ATOM 2867 OD1 ASP 24 -3.312 -9.726 -8.595 1.00 0.00 1CDR3082
+ATOM 2868 OD2 ASP 24 -4.019 -10.682 -6.797 1.00 0.00 1CDR3083
+ATOM 2869 H ASP 24 -2.727 -8.325 -5.439 1.00 0.00 1CDR3084
+ATOM 2870 HA ASP 24 -0.199 -9.760 -5.852 1.00 0.00 1CDR3085
+ATOM 2871 1HB ASP 24 -1.080 -10.766 -8.026 1.00 0.00 1CDR3086
+ATOM 2872 2HB ASP 24 -1.661 -11.526 -6.544 1.00 0.00 1CDR3087
+ATOM 2873 N ALA 25 -1.879 -7.525 -7.583 1.00 0.00 1CDR3088
+ATOM 2874 CA ALA 25 -1.686 -6.354 -8.483 1.00 0.00 1CDR3089
+ATOM 2875 C ALA 25 -1.074 -5.199 -7.691 1.00 0.00 1CDR3090
+ATOM 2876 O ALA 25 -1.728 -4.584 -6.876 1.00 0.00 1CDR3091
+ATOM 2877 CB ALA 25 -3.040 -5.915 -9.047 1.00 0.00 1CDR3092
+ATOM 2878 H ALA 25 -2.773 -7.736 -7.238 1.00 0.00 1CDR3093
+ATOM 2879 HA ALA 25 -1.028 -6.626 -9.296 1.00 0.00 1CDR3094
+ATOM 2880 1HB ALA 25 -3.824 -6.186 -8.354 1.00 0.00 1CDR3095
+ATOM 2881 2HB ALA 25 -3.041 -4.845 -9.190 1.00 0.00 1CDR3096
+ATOM 2882 3HB ALA 25 -3.212 -6.405 -9.994 1.00 0.00 1CDR3097
+ATOM 2883 N CYS 26 0.171 -4.888 -7.924 1.00 0.00 1CDR3098
+ATOM 2884 CA CYS 26 0.790 -3.763 -7.172 1.00 0.00 1CDR3099
+ATOM 2885 C CYS 26 -0.013 -2.499 -7.451 1.00 0.00 1CDR3100
+ATOM 2886 O CYS 26 -0.671 -2.384 -8.465 1.00 0.00 1CDR3101
+ATOM 2887 CB CYS 26 2.240 -3.568 -7.619 1.00 0.00 1CDR3102
+ATOM 2888 SG CYS 26 3.268 -3.189 -6.177 1.00 0.00 1CDR3103
+ATOM 2889 H CYS 26 0.690 -5.382 -8.592 1.00 0.00 1CDR3104
+ATOM 2890 HA CYS 26 0.760 -3.977 -6.113 1.00 0.00 1CDR3105
+ATOM 2891 1HB CYS 26 2.598 -4.472 -8.089 1.00 0.00 1CDR3106
+ATOM 2892 2HB CYS 26 2.294 -2.750 -8.322 1.00 0.00 1CDR3107
+ATOM 2893 N LEU 27 0.010 -1.557 -6.555 1.00 0.00 1CDR3108
+ATOM 2894 CA LEU 27 -0.783 -0.320 -6.780 1.00 0.00 1CDR3109
+ATOM 2895 C LEU 27 0.093 0.923 -6.622 1.00 0.00 1CDR3110
+ATOM 2896 O LEU 27 0.760 1.111 -5.625 1.00 0.00 1CDR3111
+ATOM 2897 CB LEU 27 -1.923 -0.279 -5.764 1.00 0.00 1CDR3112
+ATOM 2898 CG LEU 27 -2.675 1.047 -5.873 1.00 0.00 1CDR3113
+ATOM 2899 CD1 LEU 27 -3.909 0.857 -6.759 1.00 0.00 1CDR3114
+ATOM 2900 CD2 LEU 27 -3.112 1.492 -4.475 1.00 0.00 1CDR3115
+ATOM 2901 H LEU 27 0.530 -1.671 -5.733 1.00 0.00 1CDR3116
+ATOM 2902 HA LEU 27 -1.197 -0.339 -7.776 1.00 0.00 1CDR3117
+ATOM 2903 1HB LEU 27 -2.603 -1.092 -5.963 1.00 0.00 1CDR3118
+ATOM 2904 2HB LEU 27 -1.521 -0.381 -4.767 1.00 0.00 1CDR3119
+ATOM 2905 HG LEU 27 -2.031 1.796 -6.308 1.00 0.00 1CDR3120
+ATOM 2906 1HD1 LEU 27 -3.706 0.099 -7.501 1.00 0.00 1CDR3121
+ATOM 2907 2HD1 LEU 27 -4.746 0.550 -6.150 1.00 0.00 1CDR3122
+ATOM 2908 3HD1 LEU 27 -4.143 1.788 -7.252 1.00 0.00 1CDR3123
+ATOM 2909 1HD2 LEU 27 -2.488 1.013 -3.734 1.00 0.00 1CDR3124
+ATOM 2910 2HD2 LEU 27 -3.013 2.564 -4.391 1.00 0.00 1CDR3125
+ATOM 2911 3HD2 LEU 27 -4.142 1.212 -4.313 1.00 0.00 1CDR3126
+ATOM 2912 N ILE 28 0.069 1.782 -7.605 1.00 0.00 1CDR3127
+ATOM 2913 CA ILE 28 0.867 3.037 -7.534 1.00 0.00 1CDR3128
+ATOM 2914 C ILE 28 -0.083 4.211 -7.766 1.00 0.00 1CDR3129
+ATOM 2915 O ILE 28 -0.338 4.605 -8.888 1.00 0.00 1CDR3130
+ATOM 2916 CB ILE 28 1.953 3.026 -8.613 1.00 0.00 1CDR3131
+ATOM 2917 CG1 ILE 28 2.528 4.435 -8.776 1.00 0.00 1CDR3132
+ATOM 2918 CG2 ILE 28 1.349 2.568 -9.942 1.00 0.00 1CDR3133
+ATOM 2919 CD1 ILE 28 2.845 5.023 -7.400 1.00 0.00 1CDR3134
+ATOM 2920 H ILE 28 -0.493 1.608 -8.387 1.00 0.00 1CDR3135
+ATOM 2921 HA ILE 28 1.321 3.123 -6.557 1.00 0.00 1CDR3136
+ATOM 2922 HB ILE 28 2.741 2.344 -8.324 1.00 0.00 1CDR3137
+ATOM 2923 1HG1 ILE 28 3.432 4.388 -9.365 1.00 0.00 1CDR3138
+ATOM 2924 2HG1 ILE 28 1.805 5.062 -9.274 1.00 0.00 1CDR3139
+ATOM 2925 1HG2 ILE 28 0.272 2.569 -9.868 1.00 0.00 1CDR3140
+ATOM 2926 2HG2 ILE 28 1.656 3.244 -10.727 1.00 0.00 1CDR3141
+ATOM 2927 3HG2 ILE 28 1.694 1.571 -10.171 1.00 0.00 1CDR3142
+ATOM 2928 1HD1 ILE 28 3.236 4.248 -6.758 1.00 0.00 1CDR3143
+ATOM 2929 2HD1 ILE 28 3.580 5.808 -7.504 1.00 0.00 1CDR3144
+ATOM 2930 3HD1 ILE 28 1.944 5.429 -6.964 1.00 0.00 1CDR3145
+ATOM 2931 N THR 29 -0.628 4.757 -6.715 1.00 0.00 1CDR3146
+ATOM 2932 CA THR 29 -1.583 5.887 -6.871 1.00 0.00 1CDR3147
+ATOM 2933 C THR 29 -0.921 7.199 -6.448 1.00 0.00 1CDR3148
+ATOM 2934 O THR 29 0.015 7.219 -5.677 1.00 0.00 1CDR3149
+ATOM 2935 CB THR 29 -2.810 5.626 -5.992 1.00 0.00 1CDR3150
+ATOM 2936 OG1 THR 29 -3.604 4.608 -6.584 1.00 0.00 1CDR3151
+ATOM 2937 CG2 THR 29 -3.636 6.906 -5.858 1.00 0.00 1CDR3152
+ATOM 2938 H THR 29 -0.424 4.410 -5.822 1.00 0.00 1CDR3153
+ATOM 2939 HA THR 29 -1.892 5.960 -7.903 1.00 0.00 1CDR3154
+ATOM 2940 HB THR 29 -2.488 5.307 -5.012 1.00 0.00 1CDR3155
+ATOM 2941 HG1 THR 29 -3.141 3.773 -6.482 1.00 0.00 1CDR3156
+ATOM 2942 1HG2 THR 29 -3.774 7.349 -6.833 1.00 0.00 1CDR3157
+ATOM 2943 2HG2 THR 29 -4.599 6.669 -5.429 1.00 0.00 1CDR3158
+ATOM 2944 3HG2 THR 29 -3.118 7.603 -5.216 1.00 0.00 1CDR3159
+ATOM 2945 N LYS 30 -1.415 8.297 -6.949 1.00 0.00 1CDR3160
+ATOM 2946 CA LYS 30 -0.838 9.619 -6.582 1.00 0.00 1CDR3161
+ATOM 2947 C LYS 30 -1.969 10.645 -6.493 1.00 0.00 1CDR3162
+ATOM 2948 O LYS 30 -2.287 11.319 -7.453 1.00 0.00 1CDR3163
+ATOM 2949 CB LYS 30 0.169 10.053 -7.650 1.00 0.00 1CDR3164
+ATOM 2950 CG LYS 30 1.587 9.966 -7.082 1.00 0.00 1CDR3165
+ATOM 2951 CD LYS 30 2.575 10.574 -8.080 1.00 0.00 1CDR3166
+ATOM 2952 CE LYS 30 3.539 9.493 -8.571 1.00 0.00 1CDR3167
+ATOM 2953 NZ LYS 30 4.905 10.072 -8.713 1.00 0.00 1CDR3168
+ATOM 2954 H LYS 30 -2.176 8.250 -7.565 1.00 0.00 1CDR3169
+ATOM 2955 HA LYS 30 -0.344 9.545 -5.625 1.00 0.00 1CDR3170
+ATOM 2956 1HB LYS 30 0.085 9.401 -8.508 1.00 0.00 1CDR3171
+ATOM 2957 2HB LYS 30 -0.035 11.070 -7.948 1.00 0.00 1CDR3172
+ATOM 2958 1HG LYS 30 1.634 10.511 -6.150 1.00 0.00 1CDR3173
+ATOM 2959 2HG LYS 30 1.844 8.932 -6.908 1.00 0.00 1CDR3174
+ATOM 2960 1HD LYS 30 2.031 10.982 -8.921 1.00 0.00 1CDR3175
+ATOM 2961 2HD LYS 30 3.135 11.361 -7.598 1.00 0.00 1CDR3176
+ATOM 2962 1HE LYS 30 3.565 8.682 -7.858 1.00 0.00 1CDR3177
+ATOM 2963 2HE LYS 30 3.205 9.119 -9.529 1.00 0.00 1CDR3178
+ATOM 2964 1HZ LYS 30 4.836 11.105 -8.805 1.00 0.00 1CDR3179
+ATOM 2965 2HZ LYS 30 5.470 9.838 -7.873 1.00 0.00 1CDR3180
+ATOM 2966 3HZ LYS 30 5.362 9.677 -9.560 1.00 0.00 1CDR3181
+ATOM 2967 N ALA 31 -2.587 10.760 -5.350 1.00 0.00 1CDR3182
+ATOM 2968 CA ALA 31 -3.708 11.732 -5.200 1.00 0.00 1CDR3183
+ATOM 2969 C ALA 31 -3.163 13.094 -4.770 1.00 0.00 1CDR3184
+ATOM 2970 O ALA 31 -3.352 13.522 -3.648 1.00 0.00 1CDR3185
+ATOM 2971 CB ALA 31 -4.687 11.220 -4.142 1.00 0.00 1CDR3186
+ATOM 2972 H ALA 31 -2.318 10.199 -4.592 1.00 0.00 1CDR3187
+ATOM 2973 HA ALA 31 -4.222 11.832 -6.144 1.00 0.00 1CDR3188
+ATOM 2974 1HB ALA 31 -4.863 10.165 -4.294 1.00 0.00 1CDR3189
+ATOM 2975 2HB ALA 31 -4.269 11.378 -3.159 1.00 0.00 1CDR3190
+ATOM 2976 3HB ALA 31 -5.621 11.756 -4.227 1.00 0.00 1CDR3191
+ATOM 2977 N GLY 32 -2.499 13.787 -5.654 1.00 0.00 1CDR3192
+ATOM 2978 CA GLY 32 -1.957 15.127 -5.291 1.00 0.00 1CDR3193
+ATOM 2979 C GLY 32 -0.441 15.045 -5.113 1.00 0.00 1CDR3194
+ATOM 2980 O GLY 32 0.272 14.561 -5.968 1.00 0.00 1CDR3195
+ATOM 2981 H GLY 32 -2.363 13.429 -6.555 1.00 0.00 1CDR3196
+ATOM 2982 1HA GLY 32 -2.188 15.831 -6.077 1.00 0.00 1CDR3197
+ATOM 2983 2HA GLY 32 -2.406 15.458 -4.368 1.00 0.00 1CDR3198
+ATOM 2984 N LEU 33 0.058 15.523 -4.005 1.00 0.00 1CDR3199
+ATOM 2985 CA LEU 33 1.528 15.484 -3.768 1.00 0.00 1CDR3200
+ATOM 2986 C LEU 33 1.887 14.244 -2.948 1.00 0.00 1CDR3201
+ATOM 2987 O LEU 33 3.045 13.914 -2.780 1.00 0.00 1CDR3202
+ATOM 2988 CB LEU 33 1.951 16.739 -3.000 1.00 0.00 1CDR3203
+ATOM 2989 CG LEU 33 1.007 16.957 -1.816 1.00 0.00 1CDR3204
+ATOM 2990 CD1 LEU 33 1.825 17.158 -0.539 1.00 0.00 1CDR3205
+ATOM 2991 CD2 LEU 33 0.149 18.200 -2.069 1.00 0.00 1CDR3206
+ATOM 2992 H LEU 33 -0.536 15.914 -3.331 1.00 0.00 1CDR3207
+ATOM 2993 HA LEU 33 2.045 15.452 -4.716 1.00 0.00 1CDR3208
+ATOM 2994 1HB LEU 33 2.961 16.616 -2.639 1.00 0.00 1CDR3209
+ATOM 2995 2HB LEU 33 1.906 17.595 -3.658 1.00 0.00 1CDR3210
+ATOM 2996 HG LEU 33 0.368 16.093 -1.702 1.00 0.00 1CDR3211
+ATOM 2997 1HD1 LEU 33 2.575 16.384 -0.466 1.00 0.00 1CDR3212
+ATOM 2998 2HD1 LEU 33 2.307 18.124 -0.568 1.00 0.00 1CDR3213
+ATOM 2999 3HD1 LEU 33 1.171 17.107 0.319 1.00 0.00 1CDR3214
+ATOM 3000 1HD2 LEU 33 0.597 18.793 -2.853 1.00 0.00 1CDR3215
+ATOM 3001 2HD2 LEU 33 -0.843 17.896 -2.371 1.00 0.00 1CDR3216
+ATOM 3002 3HD2 LEU 33 0.085 18.785 -1.165 1.00 0.00 1CDR3217
+ATOM 3003 N GLN 34 0.909 13.555 -2.429 1.00 0.00 1CDR3218
+ATOM 3004 CA GLN 34 1.205 12.343 -1.613 1.00 0.00 1CDR3219
+ATOM 3005 C GLN 34 1.056 11.086 -2.475 1.00 0.00 1CDR3220
+ATOM 3006 O GLN 34 0.103 10.934 -3.212 1.00 0.00 1CDR3221
+ATOM 3007 CB GLN 34 0.230 12.272 -0.436 1.00 0.00 1CDR3222
+ATOM 3008 CG GLN 34 -1.165 11.912 -0.948 1.00 0.00 1CDR3223
+ATOM 3009 CD GLN 34 -2.213 12.723 -0.184 1.00 0.00 1CDR3224
+ATOM 3010 OE1 GLN 34 -1.900 13.370 0.796 1.00 0.00 1CDR3225
+ATOM 3011 NE2 GLN 34 -3.452 12.715 -0.592 1.00 0.00 1CDR3226
+ATOM 3012 H GLN 34 -0.020 13.837 -2.569 1.00 0.00 1CDR3227
+ATOM 3013 HA GLN 34 2.216 12.402 -1.238 1.00 0.00 1CDR3228
+ATOM 3014 1HB GLN 34 0.564 11.521 0.263 1.00 0.00 1CDR3229
+ATOM 3015 2HB GLN 34 0.193 13.233 0.056 1.00 0.00 1CDR3230
+ATOM 3016 1HG GLN 34 -1.232 12.138 -2.002 1.00 0.00 1CDR3231
+ATOM 3017 2HG GLN 34 -1.344 10.858 -0.793 1.00 0.00 1CDR3232
+ATOM 3018 1HE2 GLN 34 -4.131 13.232 -0.110 1.00 0.00 1CDR3233
+ATOM 3019 2HE2 GLN 34 -3.704 12.192 -1.383 1.00 0.00 1CDR3234
+ATOM 3020 N VAL 35 1.993 10.180 -2.382 1.00 0.00 1CDR3235
+ATOM 3021 CA VAL 35 1.907 8.930 -3.188 1.00 0.00 1CDR3236
+ATOM 3022 C VAL 35 1.272 7.826 -2.337 1.00 0.00 1CDR3237
+ATOM 3023 O VAL 35 1.140 7.954 -1.136 1.00 0.00 1CDR3238
+ATOM 3024 CB VAL 35 3.315 8.508 -3.628 1.00 0.00 1CDR3239
+ATOM 3025 CG1 VAL 35 3.315 7.035 -4.046 1.00 0.00 1CDR3240
+ATOM 3026 CG2 VAL 35 3.751 9.368 -4.817 1.00 0.00 1CDR3241
+ATOM 3027 H VAL 35 2.751 10.322 -1.778 1.00 0.00 1CDR3242
+ATOM 3028 HA VAL 35 1.295 9.106 -4.060 1.00 0.00 1CDR3243
+ATOM 3029 HB VAL 35 4.005 8.649 -2.808 1.00 0.00 1CDR3244
+ATOM 3030 1HG1 VAL 35 2.600 6.887 -4.842 1.00 0.00 1CDR3245
+ATOM 3031 2HG1 VAL 35 4.300 6.758 -4.390 1.00 0.00 1CDR3246
+ATOM 3032 3HG1 VAL 35 3.043 6.421 -3.200 1.00 0.00 1CDR3247
+ATOM 3033 1HG2 VAL 35 3.404 10.382 -4.675 1.00 0.00 1CDR3248
+ATOM 3034 2HG2 VAL 35 4.829 9.364 -4.888 1.00 0.00 1CDR3249
+ATOM 3035 3HG2 VAL 35 3.328 8.967 -5.725 1.00 0.00 1CDR3250
+ATOM 3036 N TYR 36 0.877 6.743 -2.950 1.00 0.00 1CDR3251
+ATOM 3037 CA TYR 36 0.247 5.636 -2.177 1.00 0.00 1CDR3252
+ATOM 3038 C TYR 36 0.795 4.291 -2.664 1.00 0.00 1CDR3253
+ATOM 3039 O TYR 36 0.261 3.686 -3.572 1.00 0.00 1CDR3254
+ATOM 3040 CB TYR 36 -1.269 5.673 -2.379 1.00 0.00 1CDR3255
+ATOM 3041 CG TYR 36 -1.887 6.606 -1.366 1.00 0.00 1CDR3256
+ATOM 3042 CD1 TYR 36 -1.736 6.350 0.002 1.00 0.00 1CDR3257
+ATOM 3043 CD2 TYR 36 -2.606 7.728 -1.794 1.00 0.00 1CDR3258
+ATOM 3044 CE1 TYR 36 -2.306 7.215 0.942 1.00 0.00 1CDR3259
+ATOM 3045 CE2 TYR 36 -3.176 8.595 -0.854 1.00 0.00 1CDR3260
+ATOM 3046 CZ TYR 36 -3.026 8.338 0.515 1.00 0.00 1CDR3261
+ATOM 3047 OH TYR 36 -3.586 9.193 1.443 1.00 0.00 1CDR3262
+ATOM 3048 H TYR 36 0.990 6.660 -3.919 1.00 0.00 1CDR3263
+ATOM 3049 HA TYR 36 0.473 5.758 -1.129 1.00 0.00 1CDR3264
+ATOM 3050 1HB TYR 36 -1.490 6.025 -3.377 1.00 0.00 1CDR3265
+ATOM 3051 2HB TYR 36 -1.674 4.681 -2.249 1.00 0.00 1CDR3266
+ATOM 3052 HD1 TYR 36 -1.181 5.484 0.330 1.00 0.00 1CDR3267
+ATOM 3053 HD2 TYR 36 -2.721 7.925 -2.850 1.00 0.00 1CDR3268
+ATOM 3054 HE1 TYR 36 -2.190 7.018 1.998 1.00 0.00 1CDR3269
+ATOM 3055 HE2 TYR 36 -3.732 9.460 -1.184 1.00 0.00 1CDR3270
+ATOM 3056 HH TYR 36 -3.466 8.807 2.313 1.00 0.00 1CDR3271
+ATOM 3057 N ASN 37 1.853 3.817 -2.065 1.00 0.00 1CDR3272
+ATOM 3058 CA ASN 37 2.427 2.509 -2.492 1.00 0.00 1CDR3273
+ATOM 3059 C ASN 37 1.834 1.394 -1.629 1.00 0.00 1CDR3274
+ATOM 3060 O ASN 37 2.069 1.328 -0.438 1.00 0.00 1CDR3275
+ATOM 3061 CB ASN 37 3.948 2.534 -2.319 1.00 0.00 1CDR3276
+ATOM 3062 CG ASN 37 4.470 3.947 -2.581 1.00 0.00 1CDR3277
+ATOM 3063 OD1 ASN 37 4.896 4.258 -3.675 1.00 0.00 1CDR3278
+ATOM 3064 ND2 ASN 37 4.456 4.823 -1.614 1.00 0.00 1CDR3279
+ATOM 3065 H ASN 37 2.268 4.320 -1.332 1.00 0.00 1CDR3280
+ATOM 3066 HA ASN 37 2.185 2.330 -3.529 1.00 0.00 1CDR3281
+ATOM 3067 1HB ASN 37 4.199 2.236 -1.311 1.00 0.00 1CDR3282
+ATOM 3068 2HB ASN 37 4.401 1.849 -3.020 1.00 0.00 1CDR3283
+ATOM 3069 1HD2 ASN 37 4.111 4.572 -0.731 1.00 0.00 1CDR3284
+ATOM 3070 2HD2 ASN 37 4.789 5.731 -1.770 1.00 0.00 1CDR3285
+ATOM 3071 N LYS 38 1.064 0.518 -2.215 1.00 0.00 1CDR3286
+ATOM 3072 CA LYS 38 0.456 -0.586 -1.417 1.00 0.00 1CDR3287
+ATOM 3073 C LYS 38 0.035 -1.726 -2.344 1.00 0.00 1CDR3288
+ATOM 3074 O LYS 38 -0.159 -1.543 -3.530 1.00 0.00 1CDR3289
+ATOM 3075 CB LYS 38 -0.775 -0.058 -0.677 1.00 0.00 1CDR3290
+ATOM 3076 CG LYS 38 -0.572 -0.213 0.831 1.00 0.00 1CDR3291
+ATOM 3077 CD LYS 38 -1.545 0.706 1.572 1.00 0.00 1CDR3292
+ATOM 3078 CE LYS 38 -1.081 2.158 1.432 1.00 0.00 1CDR3293
+ATOM 3079 NZ LYS 38 -1.378 2.898 2.691 1.00 0.00 1CDR3294
+ATOM 3080 H LYS 38 0.882 0.588 -3.175 1.00 0.00 1CDR3295
+ATOM 3081 HA LYS 38 1.173 -0.955 -0.701 1.00 0.00 1CDR3296
+ATOM 3082 1HB LYS 38 -0.916 0.987 -0.915 1.00 0.00 1CDR3297
+ATOM 3083 2HB LYS 38 -1.645 -0.618 -0.980 1.00 0.00 1CDR3298
+ATOM 3084 1HG LYS 38 -0.758 -1.239 1.115 1.00 0.00 1CDR3299
+ATOM 3085 2HG LYS 38 0.441 0.055 1.089 1.00 0.00 1CDR3300
+ATOM 3086 1HD LYS 38 -2.533 0.601 1.148 1.00 0.00 1CDR3301
+ATOM 3087 2HD LYS 38 -1.569 0.438 2.617 1.00 0.00 1CDR3302
+ATOM 3088 1HE LYS 38 -0.018 2.180 1.243 1.00 0.00 1CDR3303
+ATOM 3089 2HE LYS 38 -1.602 2.624 0.608 1.00 0.00 1CDR3304
+ATOM 3090 1HZ LYS 38 -1.386 2.234 3.489 1.00 0.00 1CDR3305
+ATOM 3091 2HZ LYS 38 -0.648 3.620 2.848 1.00 0.00 1CDR3306
+ATOM 3092 3HZ LYS 38 -2.309 3.356 2.610 1.00 0.00 1CDR3307
+ATOM 3093 N CYS 39 -0.117 -2.902 -1.801 1.00 0.00 1CDR3308
+ATOM 3094 CA CYS 39 -0.536 -4.064 -2.633 1.00 0.00 1CDR3309
+ATOM 3095 C CYS 39 -2.034 -3.956 -2.911 1.00 0.00 1CDR3310
+ATOM 3096 O CYS 39 -2.804 -3.566 -2.055 1.00 0.00 1CDR3311
+ATOM 3097 CB CYS 39 -0.247 -5.365 -1.884 1.00 0.00 1CDR3312
+ATOM 3098 SG CYS 39 0.558 -6.537 -3.003 1.00 0.00 1CDR3313
+ATOM 3099 H CYS 39 0.040 -3.016 -0.842 1.00 0.00 1CDR3314
+ATOM 3100 HA CYS 39 0.007 -4.054 -3.568 1.00 0.00 1CDR3315
+ATOM 3101 1HB CYS 39 0.404 -5.163 -1.046 1.00 0.00 1CDR3316
+ATOM 3102 2HB CYS 39 -1.173 -5.789 -1.525 1.00 0.00 1CDR3317
+ATOM 3103 N TRP 40 -2.455 -4.276 -4.101 1.00 0.00 1CDR3318
+ATOM 3104 CA TRP 40 -3.898 -4.164 -4.422 1.00 0.00 1CDR3319
+ATOM 3105 C TRP 40 -4.305 -5.271 -5.399 1.00 0.00 1CDR3320
+ATOM 3106 O TRP 40 -3.477 -5.872 -6.054 1.00 0.00 1CDR3321
+ATOM 3107 CB TRP 40 -4.131 -2.799 -5.059 1.00 0.00 1CDR3322
+ATOM 3108 CG TRP 40 -5.490 -2.302 -4.716 1.00 0.00 1CDR3323
+ATOM 3109 CD1 TRP 40 -6.634 -2.755 -5.264 1.00 0.00 1CDR3324
+ATOM 3110 CD2 TRP 40 -5.865 -1.266 -3.767 1.00 0.00 1CDR3325
+ATOM 3111 NE1 TRP 40 -7.697 -2.058 -4.715 1.00 0.00 1CDR3326
+ATOM 3112 CE2 TRP 40 -7.272 -1.128 -3.784 1.00 0.00 1CDR3327
+ATOM 3113 CE3 TRP 40 -5.127 -0.439 -2.902 1.00 0.00 1CDR3328
+ATOM 3114 CZ2 TRP 40 -7.925 -0.200 -2.969 1.00 0.00 1CDR3329
+ATOM 3115 CZ3 TRP 40 -5.778 0.495 -2.081 1.00 0.00 1CDR3330
+ATOM 3116 CH2 TRP 40 -7.175 0.614 -2.115 1.00 0.00 1CDR3331
+ATOM 3117 H TRP 40 -1.824 -4.571 -4.786 1.00 0.00 1CDR3332
+ATOM 3118 HA TRP 40 -4.482 -4.244 -3.516 1.00 0.00 1CDR3333
+ATOM 3119 1HB TRP 40 -3.396 -2.104 -4.685 1.00 0.00 1CDR3334
+ATOM 3120 2HB TRP 40 -4.037 -2.881 -6.132 1.00 0.00 1CDR3335
+ATOM 3121 HD1 TRP 40 -6.700 -3.535 -6.010 1.00 0.00 1CDR3336
+ATOM 3122 HE1 TRP 40 -8.640 -2.192 -4.943 1.00 0.00 1CDR3337
+ATOM 3123 HE3 TRP 40 -4.050 -0.524 -2.867 1.00 0.00 1CDR3338
+ATOM 3124 HZ2 TRP 40 -9.000 -0.109 -3.001 1.00 0.00 1CDR3339
+ATOM 3125 HZ3 TRP 40 -5.201 1.123 -1.419 1.00 0.00 1CDR3340
+ATOM 3126 HH2 TRP 40 -7.669 1.334 -1.480 1.00 0.00 1CDR3341
+ATOM 3127 N LYS 41 -5.577 -5.540 -5.506 1.00 0.00 1CDR3342
+ATOM 3128 CA LYS 41 -6.037 -6.600 -6.445 1.00 0.00 1CDR3343
+ATOM 3129 C LYS 41 -6.384 -5.956 -7.788 1.00 0.00 1CDR3344
+ATOM 3130 O LYS 41 -6.569 -4.759 -7.881 1.00 0.00 1CDR3345
+ATOM 3131 CB LYS 41 -7.277 -7.293 -5.872 1.00 0.00 1CDR3346
+ATOM 3132 CG LYS 41 -6.851 -8.552 -5.115 1.00 0.00 1CDR3347
+ATOM 3133 CD LYS 41 -7.813 -9.697 -5.444 1.00 0.00 1CDR3348
+ATOM 3134 CE LYS 41 -7.696 -10.783 -4.373 1.00 0.00 1CDR3349
+ATOM 3135 NZ LYS 41 -8.582 -11.926 -4.726 1.00 0.00 1CDR3350
+ATOM 3136 H LYS 41 -6.230 -5.041 -4.972 1.00 0.00 1CDR3351
+ATOM 3137 HA LYS 41 -5.249 -7.325 -6.586 1.00 0.00 1CDR3352
+ATOM 3138 1HB LYS 41 -7.785 -6.620 -5.196 1.00 0.00 1CDR3353
+ATOM 3139 2HB LYS 41 -7.942 -7.566 -6.677 1.00 0.00 1CDR3354
+ATOM 3140 1HG LYS 41 -5.849 -8.829 -5.409 1.00 0.00 1CDR3355
+ATOM 3141 2HG LYS 41 -6.874 -8.360 -4.053 1.00 0.00 1CDR3356
+ATOM 3142 1HD LYS 41 -8.825 -9.319 -5.468 1.00 0.00 1CDR3357
+ATOM 3143 2HD LYS 41 -7.559 -10.115 -6.407 1.00 0.00 1CDR3358
+ATOM 3144 1HE LYS 41 -6.673 -11.124 -4.317 1.00 0.00 1CDR3359
+ATOM 3145 2HE LYS 41 -7.993 -10.378 -3.417 1.00 0.00 1CDR3360
+ATOM 3146 1HZ LYS 41 -8.619 -12.031 -5.759 1.00 0.00 1CDR3361
+ATOM 3147 2HZ LYS 41 -8.207 -12.799 -4.302 1.00 0.00 1CDR3362
+ATOM 3148 3HZ LYS 41 -9.540 -11.748 -4.363 1.00 0.00 1CDR3363
+ATOM 3149 N PHE 42 -6.478 -6.734 -8.832 1.00 0.00 1CDR3364
+ATOM 3150 CA PHE 42 -6.814 -6.152 -10.159 1.00 0.00 1CDR3365
+ATOM 3151 C PHE 42 -8.322 -5.931 -10.242 1.00 0.00 1CDR3366
+ATOM 3152 O PHE 42 -8.795 -5.059 -10.942 1.00 0.00 1CDR3367
+ATOM 3153 CB PHE 42 -6.377 -7.110 -11.268 1.00 0.00 1CDR3368
+ATOM 3154 CG PHE 42 -6.538 -6.427 -12.605 1.00 0.00 1CDR3369
+ATOM 3155 CD1 PHE 42 -7.807 -6.314 -13.185 1.00 0.00 1CDR3370
+ATOM 3156 CD2 PHE 42 -5.419 -5.901 -13.262 1.00 0.00 1CDR3371
+ATOM 3157 CE1 PHE 42 -7.956 -5.679 -14.423 1.00 0.00 1CDR3372
+ATOM 3158 CE2 PHE 42 -5.569 -5.265 -14.499 1.00 0.00 1CDR3373
+ATOM 3159 CZ PHE 42 -6.838 -5.153 -15.080 1.00 0.00 1CDR3374
+ATOM 3160 H PHE 42 -6.330 -7.698 -8.742 1.00 0.00 1CDR3375
+ATOM 3161 HA PHE 42 -6.304 -5.208 -10.277 1.00 0.00 1CDR3376
+ATOM 3162 1HB PHE 42 -5.342 -7.381 -11.123 1.00 0.00 1CDR3377
+ATOM 3163 2HB PHE 42 -6.990 -7.997 -11.242 1.00 0.00 1CDR3378
+ATOM 3164 HD1 PHE 42 -8.670 -6.720 -12.678 1.00 0.00 1CDR3379
+ATOM 3165 HD2 PHE 42 -4.440 -5.988 -12.814 1.00 0.00 1CDR3380
+ATOM 3166 HE1 PHE 42 -8.936 -5.592 -14.871 1.00 0.00 1CDR3381
+ATOM 3167 HE2 PHE 42 -4.705 -4.859 -15.006 1.00 0.00 1CDR3382
+ATOM 3168 HZ PHE 42 -6.953 -4.662 -16.034 1.00 0.00 1CDR3383
+ATOM 3169 N GLU 43 -9.081 -6.717 -9.530 1.00 0.00 1CDR3384
+ATOM 3170 CA GLU 43 -10.558 -6.554 -9.567 1.00 0.00 1CDR3385
+ATOM 3171 C GLU 43 -10.945 -5.272 -8.828 1.00 0.00 1CDR3386
+ATOM 3172 O GLU 43 -11.892 -4.599 -9.185 1.00 0.00 1CDR3387
+ATOM 3173 CB GLU 43 -11.222 -7.754 -8.889 1.00 0.00 1CDR3388
+ATOM 3174 CG GLU 43 -12.732 -7.708 -9.134 1.00 0.00 1CDR3389
+ATOM 3175 CD GLU 43 -13.013 -7.900 -10.626 1.00 0.00 1CDR3390
+ATOM 3176 OE1 GLU 43 -12.660 -8.946 -11.145 1.00 0.00 1CDR3391
+ATOM 3177 OE2 GLU 43 -13.578 -6.999 -11.222 1.00 0.00 1CDR3392
+ATOM 3178 H GLU 43 -8.677 -7.415 -8.972 1.00 0.00 1CDR3393
+ATOM 3179 HA GLU 43 -10.885 -6.493 -10.594 1.00 0.00 1CDR3394
+ATOM 3180 1HB GLU 43 -10.817 -8.668 -9.300 1.00 0.00 1CDR3395
+ATOM 3181 2HB GLU 43 -11.030 -7.720 -7.828 1.00 0.00 1CDR3396
+ATOM 3182 1HG GLU 43 -13.211 -8.496 -8.572 1.00 0.00 1CDR3397
+ATOM 3183 2HG GLU 43 -13.120 -6.752 -8.817 1.00 0.00 1CDR3398
+ATOM 3184 N HIS 44 -10.218 -4.931 -7.801 1.00 0.00 1CDR3399
+ATOM 3185 CA HIS 44 -10.537 -3.696 -7.033 1.00 0.00 1CDR3400
+ATOM 3186 C HIS 44 -9.773 -2.513 -7.628 1.00 0.00 1CDR3401
+ATOM 3187 O HIS 44 -9.673 -1.460 -7.031 1.00 0.00 1CDR3402
+ATOM 3188 CB HIS 44 -10.119 -3.890 -5.574 1.00 0.00 1CDR3403
+ATOM 3189 CG HIS 44 -10.677 -5.187 -5.058 1.00 0.00 1CDR3404
+ATOM 3190 ND1 HIS 44 -10.384 -5.666 -3.791 1.00 0.00 1CDR3405
+ATOM 3191 CD2 HIS 44 -11.510 -6.120 -5.627 1.00 0.00 1CDR3406
+ATOM 3192 CE1 HIS 44 -11.028 -6.838 -3.640 1.00 0.00 1CDR3407
+ATOM 3193 NE2 HIS 44 -11.729 -7.161 -4.729 1.00 0.00 1CDR3408
+ATOM 3194 H HIS 44 -9.459 -5.491 -7.532 1.00 0.00 1CDR3409
+ATOM 3195 HA HIS 44 -11.598 -3.501 -7.081 1.00 0.00 1CDR3410
+ATOM 3196 1HB HIS 44 -9.042 -3.914 -5.511 1.00 0.00 1CDR3411
+ATOM 3197 2HB HIS 44 -10.497 -3.072 -4.978 1.00 0.00 1CDR3412
+ATOM 3198 HD1 HIS 44 -9.810 -5.230 -3.126 1.00 0.00 1CDR3413
+ATOM 3199 HD2 HIS 44 -11.930 -6.055 -6.620 1.00 0.00 1CDR3414
+ATOM 3200 HE1 HIS 44 -10.984 -7.443 -2.746 1.00 0.00 1CDR3415
+ATOM 3201 N CYS 45 -9.232 -2.677 -8.804 1.00 0.00 1CDR3416
+ATOM 3202 CA CYS 45 -8.475 -1.562 -9.440 1.00 0.00 1CDR3417
+ATOM 3203 C CYS 45 -9.368 -0.867 -10.470 1.00 0.00 1CDR3418
+ATOM 3204 O CYS 45 -9.194 -1.026 -11.662 1.00 0.00 1CDR3419
+ATOM 3205 CB CYS 45 -7.231 -2.122 -10.133 1.00 0.00 1CDR3420
+ATOM 3206 SG CYS 45 -5.871 -0.937 -9.986 1.00 0.00 1CDR3421
+ATOM 3207 H CYS 45 -9.325 -3.535 -9.271 1.00 0.00 1CDR3422
+ATOM 3208 HA CYS 45 -8.177 -0.851 -8.683 1.00 0.00 1CDR3423
+ATOM 3209 1HB CYS 45 -6.948 -3.055 -9.668 1.00 0.00 1CDR3424
+ATOM 3210 2HB CYS 45 -7.448 -2.294 -11.177 1.00 0.00 1CDR3425
+ATOM 3211 N ASN 46 -10.324 -0.099 -10.022 1.00 0.00 1CDR3426
+ATOM 3212 CA ASN 46 -11.226 0.604 -10.980 1.00 0.00 1CDR3427
+ATOM 3213 C ASN 46 -11.480 2.033 -10.493 1.00 0.00 1CDR3428
+ATOM 3214 O ASN 46 -10.887 2.488 -9.536 1.00 0.00 1CDR3429
+ATOM 3215 CB ASN 46 -12.556 -0.148 -11.079 1.00 0.00 1CDR3430
+ATOM 3216 CG ASN 46 -12.940 -0.693 -9.703 1.00 0.00 1CDR3431
+ATOM 3217 OD1 ASN 46 -13.762 -0.119 -9.017 1.00 0.00 1CDR3432
+ATOM 3218 ND2 ASN 46 -12.377 -1.787 -9.269 1.00 0.00 1CDR3433
+ATOM 3219 H ASN 46 -10.450 0.016 -9.055 1.00 0.00 1CDR3434
+ATOM 3220 HA ASN 46 -10.758 0.636 -11.952 1.00 0.00 1CDR3435
+ATOM 3221 1HB ASN 46 -13.324 0.528 -11.428 1.00 0.00 1CDR3436
+ATOM 3222 2HB ASN 46 -12.455 -0.967 -11.775 1.00 0.00 1CDR3437
+ATOM 3223 1HD2 ASN 46 -12.615 -2.145 -8.388 1.00 0.00 1CDR3438
+ATOM 3224 2HD2 ASN 46 -11.716 -2.251 -9.823 1.00 0.00 1CDR3439
+ATOM 3225 N PHE 47 -12.357 2.745 -11.148 1.00 0.00 1CDR3440
+ATOM 3226 CA PHE 47 -12.650 4.145 -10.727 1.00 0.00 1CDR3441
+ATOM 3227 C PHE 47 -13.730 4.137 -9.642 1.00 0.00 1CDR3442
+ATOM 3228 O PHE 47 -14.772 4.743 -9.790 1.00 0.00 1CDR3443
+ATOM 3229 CB PHE 47 -13.148 4.947 -11.933 1.00 0.00 1CDR3444
+ATOM 3230 CG PHE 47 -12.531 6.326 -11.924 1.00 0.00 1CDR3445
+ATOM 3231 CD1 PHE 47 -12.786 7.201 -10.860 1.00 0.00 1CDR3446
+ATOM 3232 CD2 PHE 47 -11.710 6.733 -12.983 1.00 0.00 1CDR3447
+ATOM 3233 CE1 PHE 47 -12.218 8.482 -10.855 1.00 0.00 1CDR3448
+ATOM 3234 CE2 PHE 47 -11.143 8.012 -12.978 1.00 0.00 1CDR3449
+ATOM 3235 CZ PHE 47 -11.397 8.887 -11.914 1.00 0.00 1CDR3450
+ATOM 3236 H PHE 47 -12.824 2.358 -11.920 1.00 0.00 1CDR3451
+ATOM 3237 HA PHE 47 -11.751 4.599 -10.338 1.00 0.00 1CDR3452
+ATOM 3238 1HB PHE 47 -12.870 4.435 -12.843 1.00 0.00 1CDR3453
+ATOM 3239 2HB PHE 47 -14.224 5.035 -11.885 1.00 0.00 1CDR3454
+ATOM 3240 HD1 PHE 47 -13.419 6.887 -10.043 1.00 0.00 1CDR3455
+ATOM 3241 HD2 PHE 47 -11.513 6.058 -13.803 1.00 0.00 1CDR3456
+ATOM 3242 HE1 PHE 47 -12.415 9.156 -10.035 1.00 0.00 1CDR3457
+ATOM 3243 HE2 PHE 47 -10.510 8.326 -13.795 1.00 0.00 1CDR3458
+ATOM 3244 HZ PHE 47 -10.961 9.875 -11.912 1.00 0.00 1CDR3459
+ATOM 3245 N ASN 48 -13.491 3.459 -8.553 1.00 0.00 1CDR3460
+ATOM 3246 CA ASN 48 -14.510 3.420 -7.466 1.00 0.00 1CDR3461
+ATOM 3247 C ASN 48 -14.012 2.537 -6.320 1.00 0.00 1CDR3462
+ATOM 3248 O ASN 48 -14.262 2.807 -5.163 1.00 0.00 1CDR3463
+ATOM 3249 CB ASN 48 -15.822 2.852 -8.013 1.00 0.00 1CDR3464
+ATOM 3250 CG ASN 48 -16.798 2.619 -6.858 1.00 0.00 1CDR3465
+ATOM 3251 OD1 ASN 48 -17.616 1.722 -6.907 1.00 0.00 1CDR3466
+ATOM 3252 ND2 ASN 48 -16.748 3.399 -5.812 1.00 0.00 1CDR3467
+ATOM 3253 H ASN 48 -12.644 2.976 -8.450 1.00 0.00 1CDR3468
+ATOM 3254 HA ASN 48 -14.680 4.422 -7.098 1.00 0.00 1CDR3469
+ATOM 3255 1HB ASN 48 -16.253 3.551 -8.716 1.00 0.00 1CDR3470
+ATOM 3256 2HB ASN 48 -15.628 1.914 -8.511 1.00 0.00 1CDR3471
+ATOM 3257 1HD2 ASN 48 -17.368 3.260 -5.067 1.00 0.00 1CDR3472
+ATOM 3258 2HD2 ASN 48 -16.089 4.123 -5.773 1.00 0.00 1CDR3473
+ATOM 3259 N ASP 49 -13.312 1.479 -6.628 1.00 0.00 1CDR3474
+ATOM 3260 CA ASP 49 -12.807 0.584 -5.549 1.00 0.00 1CDR3475
+ATOM 3261 C ASP 49 -11.583 1.220 -4.885 1.00 0.00 1CDR3476
+ATOM 3262 O ASP 49 -11.429 1.181 -3.680 1.00 0.00 1CDR3477
+ATOM 3263 CB ASP 49 -12.418 -0.768 -6.146 1.00 0.00 1CDR3478
+ATOM 3264 CG ASP 49 -13.674 -1.616 -6.351 1.00 0.00 1CDR3479
+ATOM 3265 OD1 ASP 49 -14.678 -1.062 -6.767 1.00 0.00 1CDR3480
+ATOM 3266 OD2 ASP 49 -13.610 -2.806 -6.087 1.00 0.00 1CDR3481
+ATOM 3267 H ASP 49 -13.119 1.270 -7.567 1.00 0.00 1CDR3482
+ATOM 3268 HA ASP 49 -13.582 0.441 -4.809 1.00 0.00 1CDR3483
+ATOM 3269 1HB ASP 49 -11.928 -0.613 -7.097 1.00 0.00 1CDR3484
+ATOM 3270 2HB ASP 49 -11.746 -1.279 -5.473 1.00 0.00 1CDR3485
+ATOM 3271 N VAL 50 -10.711 1.802 -5.661 1.00 0.00 1CDR3486
+ATOM 3272 CA VAL 50 -9.499 2.436 -5.071 1.00 0.00 1CDR3487
+ATOM 3273 C VAL 50 -9.822 3.876 -4.661 1.00 0.00 1CDR3488
+ATOM 3274 O VAL 50 -9.249 4.408 -3.731 1.00 0.00 1CDR3489
+ATOM 3275 CB VAL 50 -8.372 2.438 -6.108 1.00 0.00 1CDR3490
+ATOM 3276 CG1 VAL 50 -7.245 3.363 -5.643 1.00 0.00 1CDR3491
+ATOM 3277 CG2 VAL 50 -7.829 1.016 -6.266 1.00 0.00 1CDR3492
+ATOM 3278 H VAL 50 -10.853 1.822 -6.630 1.00 0.00 1CDR3493
+ATOM 3279 HA VAL 50 -9.187 1.875 -4.201 1.00 0.00 1CDR3494
+ATOM 3280 HB VAL 50 -8.755 2.786 -7.055 1.00 0.00 1CDR3495
+ATOM 3281 1HG1 VAL 50 -7.095 3.242 -4.580 1.00 0.00 1CDR3496
+ATOM 3282 2HG1 VAL 50 -6.334 3.112 -6.167 1.00 0.00 1CDR3497
+ATOM 3283 3HG1 VAL 50 -7.511 4.388 -5.854 1.00 0.00 1CDR3498
+ATOM 3284 1HG2 VAL 50 -8.618 0.306 -6.066 1.00 0.00 1CDR3499
+ATOM 3285 2HG2 VAL 50 -7.468 0.878 -7.274 1.00 0.00 1CDR3500
+ATOM 3286 3HG2 VAL 50 -7.020 0.859 -5.568 1.00 0.00 1CDR3501
+ATOM 3287 N THR 51 -10.736 4.510 -5.344 1.00 0.00 1CDR3502
+ATOM 3288 CA THR 51 -11.093 5.912 -4.986 1.00 0.00 1CDR3503
+ATOM 3289 C THR 51 -11.926 5.912 -3.701 1.00 0.00 1CDR3504
+ATOM 3290 O THR 51 -12.153 6.942 -3.097 1.00 0.00 1CDR3505
+ATOM 3291 CB THR 51 -11.907 6.542 -6.120 1.00 0.00 1CDR3506
+ATOM 3292 OG1 THR 51 -12.531 5.515 -6.879 1.00 0.00 1CDR3507
+ATOM 3293 CG2 THR 51 -10.982 7.359 -7.025 1.00 0.00 1CDR3508
+ATOM 3294 H THR 51 -11.190 4.063 -6.089 1.00 0.00 1CDR3509
+ATOM 3295 HA THR 51 -10.191 6.485 -4.830 1.00 0.00 1CDR3510
+ATOM 3296 HB THR 51 -12.661 7.191 -5.704 1.00 0.00 1CDR3511
+ATOM 3297 HG1 THR 51 -12.907 4.880 -6.266 1.00 0.00 1CDR3512
+ATOM 3298 1HG2 THR 51 -10.359 8.000 -6.419 1.00 0.00 1CDR3513
+ATOM 3299 2HG2 THR 51 -10.359 6.692 -7.603 1.00 0.00 1CDR3514
+ATOM 3300 3HG2 THR 51 -11.576 7.965 -7.694 1.00 0.00 1CDR3515
+ATOM 3301 N THR 52 -12.383 4.764 -3.281 1.00 0.00 1CDR3516
+ATOM 3302 CA THR 52 -13.204 4.698 -2.038 1.00 0.00 1CDR3517
+ATOM 3303 C THR 52 -12.356 4.138 -0.893 1.00 0.00 1CDR3518
+ATOM 3304 O THR 52 -12.417 4.610 0.224 1.00 0.00 1CDR3519
+ATOM 3305 CB THR 52 -14.403 3.782 -2.274 1.00 0.00 1CDR3520
+ATOM 3306 OG1 THR 52 -15.329 4.426 -3.139 1.00 0.00 1CDR3521
+ATOM 3307 CG2 THR 52 -15.081 3.468 -0.940 1.00 0.00 1CDR3522
+ATOM 3308 H THR 52 -12.191 3.945 -3.783 1.00 0.00 1CDR3523
+ATOM 3309 HA THR 52 -13.550 5.687 -1.782 1.00 0.00 1CDR3524
+ATOM 3310 HB THR 52 -14.066 2.863 -2.726 1.00 0.00 1CDR3525
+ATOM 3311 HG1 THR 52 -14.957 4.427 -4.024 1.00 0.00 1CDR3526
+ATOM 3312 1HG2 THR 52 -14.364 3.009 -0.273 1.00 0.00 1CDR3527
+ATOM 3313 2HG2 THR 52 -15.448 4.382 -0.500 1.00 0.00 1CDR3528
+ATOM 3314 3HG2 THR 52 -15.905 2.790 -1.106 1.00 0.00 1CDR3529
+ATOM 3315 N ARG 53 -11.565 3.134 -1.161 1.00 0.00 1CDR3530
+ATOM 3316 CA ARG 53 -10.717 2.552 -0.085 1.00 0.00 1CDR3531
+ATOM 3317 C ARG 53 -9.804 3.645 0.471 1.00 0.00 1CDR3532
+ATOM 3318 O ARG 53 -9.567 3.728 1.660 1.00 0.00 1CDR3533
+ATOM 3319 CB ARG 53 -9.868 1.418 -0.661 1.00 0.00 1CDR3534
+ATOM 3320 CG ARG 53 -10.734 0.167 -0.829 1.00 0.00 1CDR3535
+ATOM 3321 CD ARG 53 -10.999 -0.462 0.539 1.00 0.00 1CDR3536
+ATOM 3322 NE ARG 53 -12.222 -1.310 0.466 1.00 0.00 1CDR3537
+ATOM 3323 CZ ARG 53 -13.360 -0.851 0.908 1.00 0.00 1CDR3538
+ATOM 3324 NH1 ARG 53 -13.765 0.339 0.556 1.00 0.00 1CDR3539
+ATOM 3325 NH2 ARG 53 -14.094 -1.582 1.702 1.00 0.00 1CDR3540
+ATOM 3326 H ARG 53 -11.528 2.766 -2.068 1.00 0.00 1CDR3541
+ATOM 3327 HA ARG 53 -11.347 2.170 0.706 1.00 0.00 1CDR3542
+ATOM 3328 1HB ARG 53 -9.475 1.716 -1.622 1.00 0.00 1CDR3543
+ATOM 3329 2HB ARG 53 -9.052 1.201 0.011 1.00 0.00 1CDR3544
+ATOM 3330 1HG ARG 53 -11.673 0.440 -1.289 1.00 0.00 1CDR3545
+ATOM 3331 2HG ARG 53 -10.220 -0.544 -1.457 1.00 0.00 1CDR3546
+ATOM 3332 1HD ARG 53 -10.154 -1.072 0.826 1.00 0.00 1CDR3547
+ATOM 3333 2HD ARG 53 -11.145 0.317 1.272 1.00 0.00 1CDR3548
+ATOM 3334 HE ARG 53 -12.172 -2.211 0.083 1.00 0.00 1CDR3549
+ATOM 3335 1HH1 ARG 53 -13.201 0.899 -0.053 1.00 0.00 1CDR3550
+ATOM 3336 2HH1 ARG 53 -14.637 0.693 0.895 1.00 0.00 1CDR3551
+ATOM 3337 1HH2 ARG 53 -13.784 -2.494 1.971 1.00 0.00 1CDR3552
+ATOM 3338 2HH2 ARG 53 -14.967 -1.230 2.042 1.00 0.00 1CDR3553
+ATOM 3339 N LEU 54 -9.301 4.492 -0.384 1.00 0.00 1CDR3554
+ATOM 3340 CA LEU 54 -8.413 5.588 0.084 1.00 0.00 1CDR3555
+ATOM 3341 C LEU 54 -9.263 6.818 0.414 1.00 0.00 1CDR3556
+ATOM 3342 O LEU 54 -8.771 7.806 0.921 1.00 0.00 1CDR3557
+ATOM 3343 CB LEU 54 -7.418 5.938 -1.022 1.00 0.00 1CDR3558
+ATOM 3344 CG LEU 54 -6.815 4.653 -1.589 1.00 0.00 1CDR3559
+ATOM 3345 CD1 LEU 54 -6.350 4.897 -3.025 1.00 0.00 1CDR3560
+ATOM 3346 CD2 LEU 54 -5.621 4.229 -0.731 1.00 0.00 1CDR3561
+ATOM 3347 H LEU 54 -9.510 4.411 -1.336 1.00 0.00 1CDR3562
+ATOM 3348 HA LEU 54 -7.877 5.270 0.965 1.00 0.00 1CDR3563
+ATOM 3349 1HB LEU 54 -7.929 6.476 -1.809 1.00 0.00 1CDR3564
+ATOM 3350 2HB LEU 54 -6.634 6.553 -0.617 1.00 0.00 1CDR3565
+ATOM 3351 HG LEU 54 -7.562 3.873 -1.580 1.00 0.00 1CDR3566
+ATOM 3352 1HD1 LEU 54 -5.735 5.784 -3.059 1.00 0.00 1CDR3567
+ATOM 3353 2HD1 LEU 54 -5.776 4.048 -3.367 1.00 0.00 1CDR3568
+ATOM 3354 3HD1 LEU 54 -7.210 5.030 -3.665 1.00 0.00 1CDR3569
+ATOM 3355 1HD2 LEU 54 -4.888 5.021 -0.718 1.00 0.00 1CDR3570
+ATOM 3356 2HD2 LEU 54 -5.955 4.028 0.277 1.00 0.00 1CDR3571
+ATOM 3357 3HD2 LEU 54 -5.178 3.336 -1.148 1.00 0.00 1CDR3572
+ATOM 3358 N ARG 55 -10.537 6.766 0.125 1.00 0.00 1CDR3573
+ATOM 3359 CA ARG 55 -11.416 7.929 0.416 1.00 0.00 1CDR3574
+ATOM 3360 C ARG 55 -10.951 9.130 -0.406 1.00 0.00 1CDR3575
+ATOM 3361 O ARG 55 -11.073 10.267 0.005 1.00 0.00 1CDR3576
+ATOM 3362 CB ARG 55 -11.353 8.264 1.908 1.00 0.00 1CDR3577
+ATOM 3363 CG ARG 55 -12.302 7.342 2.675 1.00 0.00 1CDR3578
+ATOM 3364 CD ARG 55 -12.603 7.944 4.049 1.00 0.00 1CDR3579
+ATOM 3365 NE ARG 55 -12.343 6.927 5.105 1.00 0.00 1CDR3580
+ATOM 3366 CZ ARG 55 -12.278 7.288 6.358 1.00 0.00 1CDR3581
+ATOM 3367 NH1 ARG 55 -11.118 7.477 6.923 1.00 0.00 1CDR3582
+ATOM 3368 NH2 ARG 55 -13.375 7.462 7.042 1.00 0.00 1CDR3583
+ATOM 3369 H ARG 55 -10.915 5.962 -0.288 1.00 0.00 1CDR3584
+ATOM 3370 HA ARG 55 -12.432 7.683 0.145 1.00 0.00 1CDR3585
+ATOM 3371 1HB ARG 55 -10.344 8.123 2.267 1.00 0.00 1CDR3586
+ATOM 3372 2HB ARG 55 -11.650 9.291 2.061 1.00 0.00 1CDR3587
+ATOM 3373 1HG ARG 55 -13.223 7.231 2.120 1.00 0.00 1CDR3588
+ATOM 3374 2HG ARG 55 -11.841 6.375 2.803 1.00 0.00 1CDR3589
+ATOM 3375 1HD ARG 55 -11.970 8.803 4.212 1.00 0.00 1CDR3590
+ATOM 3376 2HD ARG 55 -13.639 8.249 4.089 1.00 0.00 1CDR3591
+ATOM 3377 HE ARG 55 -12.220 5.986 4.859 1.00 0.00 1CDR3592
+ATOM 3378 1HH1 ARG 55 -10.277 7.343 6.398 1.00 0.00 1CDR3593
+ATOM 3379 2HH1 ARG 55 -11.069 7.753 7.883 1.00 0.00 1CDR3594
+ATOM 3380 1HH2 ARG 55 -14.264 7.317 6.608 1.00 0.00 1CDR3595
+ATOM 3381 2HH2 ARG 55 -13.326 7.739 8.002 1.00 0.00 1CDR3596
+ATOM 3382 N GLU 56 -10.424 8.880 -1.572 1.00 0.00 1CDR3597
+ATOM 3383 CA GLU 56 -9.953 9.994 -2.439 1.00 0.00 1CDR3598
+ATOM 3384 C GLU 56 -10.585 9.843 -3.824 1.00 0.00 1CDR3599
+ATOM 3385 O GLU 56 -10.491 8.805 -4.449 1.00 0.00 1CDR3600
+ATOM 3386 CB GLU 56 -8.428 9.941 -2.560 1.00 0.00 1CDR3601
+ATOM 3387 CG GLU 56 -7.834 11.279 -2.117 1.00 0.00 1CDR3602
+ATOM 3388 CD GLU 56 -6.812 11.042 -1.004 1.00 0.00 1CDR3603
+ATOM 3389 OE1 GLU 56 -6.839 9.972 -0.418 1.00 0.00 1CDR3604
+ATOM 3390 OE2 GLU 56 -6.018 11.935 -0.754 1.00 0.00 1CDR3605
+ATOM 3391 H GLU 56 -10.344 7.953 -1.880 1.00 0.00 1CDR3606
+ATOM 3392 HA GLU 56 -10.250 10.939 -2.007 1.00 0.00 1CDR3607
+ATOM 3393 1HB GLU 56 -8.045 9.149 -1.933 1.00 0.00 1CDR3608
+ATOM 3394 2HB GLU 56 -8.155 9.750 -3.587 1.00 0.00 1CDR3609
+ATOM 3395 1HG GLU 56 -7.347 11.754 -2.958 1.00 0.00 1CDR3610
+ATOM 3396 2HG GLU 56 -8.621 11.919 -1.749 1.00 0.00 1CDR3611
+ATOM 3397 N ASN 57 -11.237 10.865 -4.307 1.00 0.00 1CDR3612
+ATOM 3398 CA ASN 57 -11.883 10.769 -5.646 1.00 0.00 1CDR3613
+ATOM 3399 C ASN 57 -10.875 11.121 -6.741 1.00 0.00 1CDR3614
+ATOM 3400 O ASN 57 -10.640 10.352 -7.651 1.00 0.00 1CDR3615
+ATOM 3401 CB ASN 57 -13.063 11.741 -5.710 1.00 0.00 1CDR3616
+ATOM 3402 CG ASN 57 -14.326 11.043 -5.199 1.00 0.00 1CDR3617
+ATOM 3403 OD1 ASN 57 -15.062 11.598 -4.406 1.00 0.00 1CDR3618
+ATOM 3404 ND2 ASN 57 -14.609 9.841 -5.621 1.00 0.00 1CDR3619
+ATOM 3405 H ASN 57 -11.309 11.691 -3.784 1.00 0.00 1CDR3620
+ATOM 3406 HA ASN 57 -12.242 9.763 -5.798 1.00 0.00 1CDR3621
+ATOM 3407 1HB ASN 57 -12.853 12.604 -5.096 1.00 0.00 1CDR3622
+ATOM 3408 2HB ASN 57 -13.216 12.054 -6.732 1.00 0.00 1CDR3623
+ATOM 3409 1HD2 ASN 57 -15.416 9.387 -5.300 1.00 0.00 1CDR3624
+ATOM 3410 2HD2 ASN 57 -14.015 9.393 -6.260 1.00 0.00 1CDR3625
+ATOM 3411 N GLU 58 -10.283 12.282 -6.668 1.00 0.00 1CDR3626
+ATOM 3412 CA GLU 58 -9.301 12.681 -7.713 1.00 0.00 1CDR3627
+ATOM 3413 C GLU 58 -7.956 11.996 -7.453 1.00 0.00 1CDR3628
+ATOM 3414 O GLU 58 -7.317 12.224 -6.445 1.00 0.00 1CDR3629
+ATOM 3415 CB GLU 58 -9.117 14.199 -7.685 1.00 0.00 1CDR3630
+ATOM 3416 CG GLU 58 -10.241 14.863 -8.483 1.00 0.00 1CDR3631
+ATOM 3417 CD GLU 58 -9.653 15.554 -9.715 1.00 0.00 1CDR3632
+ATOM 3418 OE1 GLU 58 -8.458 15.799 -9.718 1.00 0.00 1CDR3633
+ATOM 3419 OE2 GLU 58 -10.407 15.823 -10.635 1.00 0.00 1CDR3634
+ATOM 3420 H GLU 58 -10.491 12.892 -5.930 1.00 0.00 1CDR3635
+ATOM 3421 HA GLU 58 -9.671 12.384 -8.683 1.00 0.00 1CDR3636
+ATOM 3422 1HB GLU 58 -9.146 14.545 -6.662 1.00 0.00 1CDR3637
+ATOM 3423 2HB GLU 58 -8.165 14.455 -8.125 1.00 0.00 1CDR3638
+ATOM 3424 1HG GLU 58 -10.953 14.112 -8.795 1.00 0.00 1CDR3639
+ATOM 3425 2HG GLU 58 -10.738 15.596 -7.865 1.00 0.00 1CDR3640
+ATOM 3426 N LEU 59 -7.522 11.161 -8.359 1.00 0.00 1CDR3641
+ATOM 3427 CA LEU 59 -6.217 10.466 -8.167 1.00 0.00 1CDR3642
+ATOM 3428 C LEU 59 -5.940 9.553 -9.364 1.00 0.00 1CDR3643
+ATOM 3429 O LEU 59 -6.827 9.229 -10.128 1.00 0.00 1CDR3644
+ATOM 3430 CB LEU 59 -6.266 9.624 -6.889 1.00 0.00 1CDR3645
+ATOM 3431 CG LEU 59 -7.385 8.586 -7.001 1.00 0.00 1CDR3646
+ATOM 3432 CD1 LEU 59 -6.911 7.407 -7.854 1.00 0.00 1CDR3647
+ATOM 3433 CD2 LEU 59 -7.754 8.085 -5.604 1.00 0.00 1CDR3648
+ATOM 3434 H LEU 59 -8.051 10.995 -9.166 1.00 0.00 1CDR3649
+ATOM 3435 HA LEU 59 -5.429 11.199 -8.083 1.00 0.00 1CDR3650
+ATOM 3436 1HB LEU 59 -5.319 9.121 -6.755 1.00 0.00 1CDR3651
+ATOM 3437 2HB LEU 59 -6.456 10.265 -6.041 1.00 0.00 1CDR3652
+ATOM 3438 HG LEU 59 -8.250 9.040 -7.463 1.00 0.00 1CDR3653
+ATOM 3439 1HD1 LEU 59 -5.853 7.505 -8.049 1.00 0.00 1CDR3654
+ATOM 3440 2HD1 LEU 59 -7.096 6.484 -7.325 1.00 0.00 1CDR3655
+ATOM 3441 3HD1 LEU 59 -7.450 7.400 -8.790 1.00 0.00 1CDR3656
+ATOM 3442 1HD2 LEU 59 -6.881 8.110 -4.969 1.00 0.00 1CDR3657
+ATOM 3443 2HD2 LEU 59 -8.522 8.718 -5.184 1.00 0.00 1CDR3658
+ATOM 3444 3HD2 LEU 59 -8.122 7.071 -5.670 1.00 0.00 1CDR3659
+ATOM 3445 N THR 60 -4.716 9.132 -9.528 1.00 0.00 1CDR3660
+ATOM 3446 CA THR 60 -4.380 8.232 -10.668 1.00 0.00 1CDR3661
+ATOM 3447 C THR 60 -3.851 6.905 -10.121 1.00 0.00 1CDR3662
+ATOM 3448 O THR 60 -2.721 6.808 -9.687 1.00 0.00 1CDR3663
+ATOM 3449 CB THR 60 -3.310 8.890 -11.542 1.00 0.00 1CDR3664
+ATOM 3450 OG1 THR 60 -2.855 10.081 -10.915 1.00 0.00 1CDR3665
+ATOM 3451 CG2 THR 60 -3.903 9.226 -12.911 1.00 0.00 1CDR3666
+ATOM 3452 H THR 60 -4.017 9.401 -8.897 1.00 0.00 1CDR3667
+ATOM 3453 HA THR 60 -5.268 8.053 -11.258 1.00 0.00 1CDR3668
+ATOM 3454 HB THR 60 -2.481 8.211 -11.670 1.00 0.00 1CDR3669
+ATOM 3455 HG1 THR 60 -3.607 10.669 -10.811 1.00 0.00 1CDR3670
+ATOM 3456 1HG2 THR 60 -4.874 9.681 -12.781 1.00 0.00 1CDR3671
+ATOM 3457 2HG2 THR 60 -3.250 9.914 -13.427 1.00 0.00 1CDR3672
+ATOM 3458 3HG2 THR 60 -4.004 8.321 -13.491 1.00 0.00 1CDR3673
+ATOM 3459 N TYR 61 -4.662 5.882 -10.132 1.00 0.00 1CDR3674
+ATOM 3460 CA TYR 61 -4.206 4.567 -9.603 1.00 0.00 1CDR3675
+ATOM 3461 C TYR 61 -3.768 3.666 -10.760 1.00 0.00 1CDR3676
+ATOM 3462 O TYR 61 -4.504 3.444 -11.701 1.00 0.00 1CDR3677
+ATOM 3463 CB TYR 61 -5.357 3.901 -8.846 1.00 0.00 1CDR3678
+ATOM 3464 CG TYR 61 -6.470 3.569 -9.810 1.00 0.00 1CDR3679
+ATOM 3465 CD1 TYR 61 -7.453 4.523 -10.101 1.00 0.00 1CDR3680
+ATOM 3466 CD2 TYR 61 -6.520 2.306 -10.412 1.00 0.00 1CDR3681
+ATOM 3467 CE1 TYR 61 -8.485 4.214 -10.994 1.00 0.00 1CDR3682
+ATOM 3468 CE2 TYR 61 -7.552 1.997 -11.305 1.00 0.00 1CDR3683
+ATOM 3469 CZ TYR 61 -8.535 2.950 -11.597 1.00 0.00 1CDR3684
+ATOM 3470 OH TYR 61 -9.552 2.645 -12.478 1.00 0.00 1CDR3685
+ATOM 3471 H TYR 61 -5.572 5.983 -10.481 1.00 0.00 1CDR3686
+ATOM 3472 HA TYR 61 -3.375 4.718 -8.931 1.00 0.00 1CDR3687
+ATOM 3473 1HB TYR 61 -5.003 2.995 -8.379 1.00 0.00 1CDR3688
+ATOM 3474 2HB TYR 61 -5.727 4.576 -8.088 1.00 0.00 1CDR3689
+ATOM 3475 HD1 TYR 61 -7.415 5.497 -9.636 1.00 0.00 1CDR3690
+ATOM 3476 HD2 TYR 61 -5.761 1.571 -10.187 1.00 0.00 1CDR3691
+ATOM 3477 HE1 TYR 61 -9.245 4.949 -11.219 1.00 0.00 1CDR3692
+ATOM 3478 HE2 TYR 61 -7.589 1.022 -11.770 1.00 0.00 1CDR3693
+ATOM 3479 HH TYR 61 -10.240 3.306 -12.377 1.00 0.00 1CDR3694
+ATOM 3480 N TYR 62 -2.573 3.140 -10.696 1.00 0.00 1CDR3695
+ATOM 3481 CA TYR 62 -2.090 2.250 -11.789 1.00 0.00 1CDR3696
+ATOM 3482 C TYR 62 -1.695 0.890 -11.206 1.00 0.00 1CDR3697
+ATOM 3483 O TYR 62 -0.722 0.770 -10.489 1.00 0.00 1CDR3698
+ATOM 3484 CB TYR 62 -0.874 2.890 -12.462 1.00 0.00 1CDR3699
+ATOM 3485 CG TYR 62 -0.292 1.931 -13.473 1.00 0.00 1CDR3700
+ATOM 3486 CD1 TYR 62 -0.795 1.903 -14.778 1.00 0.00 1CDR3701
+ATOM 3487 CD2 TYR 62 0.752 1.074 -13.105 1.00 0.00 1CDR3702
+ATOM 3488 CE1 TYR 62 -0.255 1.018 -15.718 1.00 0.00 1CDR3703
+ATOM 3489 CE2 TYR 62 1.291 0.187 -14.046 1.00 0.00 1CDR3704
+ATOM 3490 CZ TYR 62 0.788 0.159 -15.352 1.00 0.00 1CDR3705
+ATOM 3491 OH TYR 62 1.320 -0.714 -16.278 1.00 0.00 1CDR3706
+ATOM 3492 H TYR 62 -1.995 3.331 -9.926 1.00 0.00 1CDR3707
+ATOM 3493 HA TYR 62 -2.875 2.115 -12.518 1.00 0.00 1CDR3708
+ATOM 3494 1HB TYR 62 -1.178 3.798 -12.962 1.00 0.00 1CDR3709
+ATOM 3495 2HB TYR 62 -0.129 3.120 -11.716 1.00 0.00 1CDR3710
+ATOM 3496 HD1 TYR 62 -1.601 2.565 -15.061 1.00 0.00 1CDR3711
+ATOM 3497 HD2 TYR 62 1.139 1.095 -12.098 1.00 0.00 1CDR3712
+ATOM 3498 HE1 TYR 62 -0.644 0.996 -16.724 1.00 0.00 1CDR3713
+ATOM 3499 HE2 TYR 62 2.097 -0.475 -13.763 1.00 0.00 1CDR3714
+ATOM 3500 HH TYR 62 0.593 -1.186 -16.691 1.00 0.00 1CDR3715
+ATOM 3501 N CYS 63 -2.444 -0.134 -11.509 1.00 0.00 1CDR3716
+ATOM 3502 CA CYS 63 -2.116 -1.487 -10.972 1.00 0.00 1CDR3717
+ATOM 3503 C CYS 63 -1.057 -2.146 -11.858 1.00 0.00 1CDR3718
+ATOM 3504 O CYS 63 -0.946 -1.854 -13.032 1.00 0.00 1CDR3719
+ATOM 3505 CB CYS 63 -3.378 -2.350 -10.959 1.00 0.00 1CDR3720
+ATOM 3506 SG CYS 63 -4.290 -2.063 -9.422 1.00 0.00 1CDR3721
+ATOM 3507 H CYS 63 -3.225 -0.015 -12.090 1.00 0.00 1CDR3722
+ATOM 3508 HA CYS 63 -1.733 -1.392 -9.968 1.00 0.00 1CDR3723
+ATOM 3509 1HB CYS 63 -4.003 -2.089 -11.801 1.00 0.00 1CDR3724
+ATOM 3510 2HB CYS 63 -3.103 -3.392 -11.024 1.00 0.00 1CDR3725
+ATOM 3511 N CYS 64 -0.277 -3.035 -11.304 1.00 0.00 1CDR3726
+ATOM 3512 CA CYS 64 0.774 -3.710 -12.117 1.00 0.00 1CDR3727
+ATOM 3513 C CYS 64 0.838 -5.193 -11.743 1.00 0.00 1CDR3728
+ATOM 3514 O CYS 64 0.214 -5.633 -10.798 1.00 0.00 1CDR3729
+ATOM 3515 CB CYS 64 2.130 -3.058 -11.843 1.00 0.00 1CDR3730
+ATOM 3516 SG CYS 64 3.199 -3.255 -13.291 1.00 0.00 1CDR3731
+ATOM 3517 H CYS 64 -0.382 -3.256 -10.353 1.00 0.00 1CDR3732
+ATOM 3518 HA CYS 64 0.534 -3.615 -13.166 1.00 0.00 1CDR3733
+ATOM 3519 1HB CYS 64 1.989 -2.006 -11.639 1.00 0.00 1CDR3734
+ATOM 3520 2HB CYS 64 2.589 -3.532 -10.989 1.00 0.00 1CDR3735
+ATOM 3521 N LYS 65 1.589 -5.966 -12.477 1.00 0.00 1CDR3736
+ATOM 3522 CA LYS 65 1.695 -7.420 -12.164 1.00 0.00 1CDR3737
+ATOM 3523 C LYS 65 3.166 -7.842 -12.197 1.00 0.00 1CDR3738
+ATOM 3524 O LYS 65 3.500 -8.933 -12.615 1.00 0.00 1CDR3739
+ATOM 3525 CB LYS 65 0.908 -8.225 -13.201 1.00 0.00 1CDR3740
+ATOM 3526 CG LYS 65 0.395 -9.519 -12.563 1.00 0.00 1CDR3741
+ATOM 3527 CD LYS 65 -1.039 -9.784 -13.027 1.00 0.00 1CDR3742
+ATOM 3528 CE LYS 65 -1.797 -10.542 -11.936 1.00 0.00 1CDR3743
+ATOM 3529 NZ LYS 65 -1.844 -11.992 -12.279 1.00 0.00 1CDR3744
+ATOM 3530 H LYS 65 2.085 -5.592 -13.234 1.00 0.00 1CDR3745
+ATOM 3531 HA LYS 65 1.290 -7.606 -11.180 1.00 0.00 1CDR3746
+ATOM 3532 1HB LYS 65 0.070 -7.638 -13.550 1.00 0.00 1CDR3747
+ATOM 3533 2HB LYS 65 1.552 -8.466 -14.033 1.00 0.00 1CDR3748
+ATOM 3534 1HG LYS 65 1.030 -10.341 -12.862 1.00 0.00 1CDR3749
+ATOM 3535 2HG LYS 65 0.412 -9.423 -11.488 1.00 0.00 1CDR3750
+ATOM 3536 1HD LYS 65 -1.532 -8.844 -13.223 1.00 0.00 1CDR3751
+ATOM 3537 2HD LYS 65 -1.021 -10.378 -13.929 1.00 0.00 1CDR3752
+ATOM 3538 1HE LYS 65 -1.294 -10.412 -10.990 1.00 0.00 1CDR3753
+ATOM 3539 2HE LYS 65 -2.804 -10.157 -11.864 1.00 0.00 1CDR3754
+ATOM 3540 1HZ LYS 65 -2.310 -12.116 -13.200 1.00 0.00 1CDR3755
+ATOM 3541 2HZ LYS 65 -0.875 -12.368 -12.327 1.00 0.00 1CDR3756
+ATOM 3542 3HZ LYS 65 -2.379 -12.505 -11.550 1.00 0.00 1CDR3757
+ATOM 3543 N LYS 66 4.048 -6.986 -11.757 1.00 0.00 1CDR3758
+ATOM 3544 CA LYS 66 5.497 -7.336 -11.763 1.00 0.00 1CDR3759
+ATOM 3545 C LYS 66 6.067 -7.159 -10.357 1.00 0.00 1CDR3760
+ATOM 3546 O LYS 66 5.776 -6.197 -9.674 1.00 0.00 1CDR3761
+ATOM 3547 CB LYS 66 6.242 -6.415 -12.727 1.00 0.00 1CDR3762
+ATOM 3548 CG LYS 66 7.258 -7.229 -13.530 1.00 0.00 1CDR3763
+ATOM 3549 CD LYS 66 7.679 -6.437 -14.770 1.00 0.00 1CDR3764
+ATOM 3550 CE LYS 66 8.357 -7.376 -15.768 1.00 0.00 1CDR3765
+ATOM 3551 NZ LYS 66 8.482 -6.692 -17.086 1.00 0.00 1CDR3766
+ATOM 3552 H LYS 66 3.757 -6.111 -11.423 1.00 0.00 1CDR3767
+ATOM 3553 HA LYS 66 5.619 -8.363 -12.076 1.00 0.00 1CDR3768
+ATOM 3554 1HB LYS 66 5.536 -5.953 -13.402 1.00 0.00 1CDR3769
+ATOM 3555 2HB LYS 66 6.758 -5.651 -12.167 1.00 0.00 1CDR3770
+ATOM 3556 1HG LYS 66 8.125 -7.427 -12.917 1.00 0.00 1CDR3771
+ATOM 3557 2HG LYS 66 6.812 -8.161 -13.837 1.00 0.00 1CDR3772
+ATOM 3558 1HD LYS 66 6.807 -5.993 -15.225 1.00 0.00 1CDR3773
+ATOM 3559 2HD LYS 66 8.371 -5.659 -14.482 1.00 0.00 1CDR3774
+ATOM 3560 1HE LYS 66 9.339 -7.639 -15.405 1.00 0.00 1CDR3775
+ATOM 3561 2HE LYS 66 7.763 -8.270 -15.880 1.00 0.00 1CDR3776
+ATOM 3562 1HZ LYS 66 9.022 -5.812 -16.969 1.00 0.00 1CDR3777
+ATOM 3563 2HZ LYS 66 8.975 -7.319 -17.754 1.00 0.00 1CDR3778
+ATOM 3564 3HZ LYS 66 7.535 -6.470 -17.452 1.00 0.00 1CDR3779
+ATOM 3565 N ASP 67 6.883 -8.078 -9.917 1.00 0.00 1CDR3780
+ATOM 3566 CA ASP 67 7.471 -7.952 -8.554 1.00 0.00 1CDR3781
+ATOM 3567 C ASP 67 8.050 -6.546 -8.387 1.00 0.00 1CDR3782
+ATOM 3568 O ASP 67 9.014 -6.178 -9.029 1.00 0.00 1CDR3783
+ATOM 3569 CB ASP 67 8.581 -8.992 -8.367 1.00 0.00 1CDR3784
+ATOM 3570 CG ASP 67 9.267 -9.264 -9.706 1.00 0.00 1CDR3785
+ATOM 3571 OD1 ASP 67 10.158 -8.509 -10.057 1.00 0.00 1CDR3786
+ATOM 3572 OD2 ASP 67 8.889 -10.223 -10.357 1.00 0.00 1CDR3787
+ATOM 3573 H ASP 67 7.107 -8.844 -10.483 1.00 0.00 1CDR3788
+ATOM 3574 HA ASP 67 6.700 -8.111 -7.815 1.00 0.00 1CDR3789
+ATOM 3575 1HB ASP 67 9.308 -8.618 -7.660 1.00 0.00 1CDR3790
+ATOM 3576 2HB ASP 67 8.153 -9.909 -7.992 1.00 0.00 1CDR3791
+ATOM 3577 N LEU 68 7.460 -5.755 -7.533 1.00 0.00 1CDR3792
+ATOM 3578 CA LEU 68 7.960 -4.369 -7.318 1.00 0.00 1CDR3793
+ATOM 3579 C LEU 68 7.718 -3.537 -8.580 1.00 0.00 1CDR3794
+ATOM 3580 O LEU 68 8.643 -3.075 -9.219 1.00 0.00 1CDR3795
+ATOM 3581 CB LEU 68 9.457 -4.398 -6.999 1.00 0.00 1CDR3796
+ATOM 3582 CG LEU 68 9.704 -5.320 -5.804 1.00 0.00 1CDR3797
+ATOM 3583 CD1 LEU 68 11.198 -5.637 -5.702 1.00 0.00 1CDR3798
+ATOM 3584 CD2 LEU 68 9.242 -4.623 -4.523 1.00 0.00 1CDR3799
+ATOM 3585 H LEU 68 6.682 -6.073 -7.033 1.00 0.00 1CDR3800
+ATOM 3586 HA LEU 68 7.426 -3.926 -6.492 1.00 0.00 1CDR3801
+ATOM 3587 1HB LEU 68 10.004 -4.761 -7.857 1.00 0.00 1CDR3802
+ATOM 3588 2HB LEU 68 9.791 -3.401 -6.754 1.00 0.00 1CDR3803
+ATOM 3589 HG LEU 68 9.150 -6.238 -5.938 1.00 0.00 1CDR3804
+ATOM 3590 1HD1 LEU 68 11.756 -4.716 -5.610 1.00 0.00 1CDR3805
+ATOM 3591 2HD1 LEU 68 11.377 -6.254 -4.834 1.00 0.00 1CDR3806
+ATOM 3592 3HD1 LEU 68 11.516 -6.163 -6.590 1.00 0.00 1CDR3807
+ATOM 3593 1HD2 LEU 68 9.127 -3.565 -4.709 1.00 0.00 1CDR3808
+ATOM 3594 2HD2 LEU 68 8.295 -5.038 -4.209 1.00 0.00 1CDR3809
+ATOM 3595 3HD2 LEU 68 9.976 -4.774 -3.745 1.00 0.00 1CDR3810
+ATOM 3596 N CYS 69 6.479 -3.342 -8.941 1.00 0.00 1CDR3811
+ATOM 3597 CA CYS 69 6.172 -2.537 -10.157 1.00 0.00 1CDR3812
+ATOM 3598 C CYS 69 6.044 -1.063 -9.767 1.00 0.00 1CDR3813
+ATOM 3599 O CYS 69 6.358 -0.177 -10.536 1.00 0.00 1CDR3814
+ATOM 3600 CB CYS 69 4.851 -3.018 -10.763 1.00 0.00 1CDR3815
+ATOM 3601 SG CYS 69 5.071 -3.332 -12.531 1.00 0.00 1CDR3816
+ATOM 3602 H CYS 69 5.750 -3.722 -8.409 1.00 0.00 1CDR3817
+ATOM 3603 HA CYS 69 6.965 -2.655 -10.879 1.00 0.00 1CDR3818
+ATOM 3604 1HB CYS 69 4.540 -3.929 -10.272 1.00 0.00 1CDR3819
+ATOM 3605 2HB CYS 69 4.095 -2.260 -10.623 1.00 0.00 1CDR3820
+ATOM 3606 N ASN 70 5.582 -0.795 -8.576 1.00 0.00 1CDR3821
+ATOM 3607 CA ASN 70 5.429 0.620 -8.134 1.00 0.00 1CDR3822
+ATOM 3608 C ASN 70 6.765 1.134 -7.591 1.00 0.00 1CDR3823
+ATOM 3609 O ASN 70 6.935 1.313 -6.401 1.00 0.00 1CDR3824
+ATOM 3610 CB ASN 70 4.368 0.697 -7.035 1.00 0.00 1CDR3825
+ATOM 3611 CG ASN 70 4.305 2.123 -6.484 1.00 0.00 1CDR3826
+ATOM 3612 OD1 ASN 70 5.014 2.997 -6.944 1.00 0.00 1CDR3827
+ATOM 3613 ND2 ASN 70 3.479 2.398 -5.512 1.00 0.00 1CDR3828
+ATOM 3614 H ASN 70 5.333 -1.526 -7.973 1.00 0.00 1CDR3829
+ATOM 3615 HA ASN 70 5.123 1.227 -8.972 1.00 0.00 1CDR3830
+ATOM 3616 1HB ASN 70 3.406 0.426 -7.444 1.00 0.00 1CDR3831
+ATOM 3617 2HB ASN 70 4.625 0.017 -6.237 1.00 0.00 1CDR3832
+ATOM 3618 1HD2 ASN 70 3.431 3.308 -5.152 1.00 0.00 1CDR3833
+ATOM 3619 2HD2 ASN 70 2.907 1.693 -5.141 1.00 0.00 1CDR3834
+ATOM 3620 N PHE 71 7.710 1.378 -8.456 1.00 0.00 1CDR3835
+ATOM 3621 CA PHE 71 9.033 1.885 -7.991 1.00 0.00 1CDR3836
+ATOM 3622 C PHE 71 9.077 3.401 -8.158 1.00 0.00 1CDR3837
+ATOM 3623 O PHE 71 10.125 3.990 -8.335 1.00 0.00 1CDR3838
+ATOM 3624 CB PHE 71 10.153 1.249 -8.820 1.00 0.00 1CDR3839
+ATOM 3625 CG PHE 71 9.699 1.093 -10.253 1.00 0.00 1CDR3840
+ATOM 3626 CD1 PHE 71 9.143 2.182 -10.938 1.00 0.00 1CDR3841
+ATOM 3627 CD2 PHE 71 9.830 -0.143 -10.897 1.00 0.00 1CDR3842
+ATOM 3628 CE1 PHE 71 8.721 2.036 -12.263 1.00 0.00 1CDR3843
+ATOM 3629 CE2 PHE 71 9.407 -0.289 -12.224 1.00 0.00 1CDR3844
+ATOM 3630 CZ PHE 71 8.852 0.801 -12.907 1.00 0.00 1CDR3845
+ATOM 3631 H PHE 71 7.548 1.230 -9.410 1.00 0.00 1CDR3846
+ATOM 3632 HA PHE 71 9.167 1.638 -6.950 1.00 0.00 1CDR3847
+ATOM 3633 1HB PHE 71 11.028 1.881 -8.786 1.00 0.00 1CDR3848
+ATOM 3634 2HB PHE 71 10.394 0.278 -8.412 1.00 0.00 1CDR3849
+ATOM 3635 HD1 PHE 71 9.041 3.136 -10.446 1.00 0.00 1CDR3850
+ATOM 3636 HD2 PHE 71 10.258 -0.983 -10.372 1.00 0.00 1CDR3851
+ATOM 3637 HE1 PHE 71 8.292 2.877 -12.789 1.00 0.00 1CDR3852
+ATOM 3638 HE2 PHE 71 9.509 -1.241 -12.720 1.00 0.00 1CDR3853
+ATOM 3639 HZ PHE 71 8.526 0.687 -13.930 1.00 0.00 1CDR3854
+ATOM 3640 N ASN 72 7.943 4.034 -8.110 1.00 0.00 1CDR3855
+ATOM 3641 CA ASN 72 7.905 5.513 -8.273 1.00 0.00 1CDR3856
+ATOM 3642 C ASN 72 8.524 5.897 -9.618 1.00 0.00 1CDR3857
+ATOM 3643 O ASN 72 9.509 6.606 -9.679 1.00 0.00 1CDR3858
+ATOM 3644 CB ASN 72 8.699 6.170 -7.143 1.00 0.00 1CDR3859
+ATOM 3645 CG ASN 72 7.753 6.981 -6.256 1.00 0.00 1CDR3860
+ATOM 3646 OD1 ASN 72 6.694 6.510 -5.888 1.00 0.00 1CDR3861
+ATOM 3647 ND2 ASN 72 8.092 8.188 -5.894 1.00 0.00 1CDR3862
+ATOM 3648 H ASN 72 7.113 3.534 -7.969 1.00 0.00 1CDR3863
+ATOM 3649 HA ASN 72 6.882 5.851 -8.240 1.00 0.00 1CDR3864
+ATOM 3650 1HB ASN 72 9.183 5.407 -6.552 1.00 0.00 1CDR3865
+ATOM 3651 2HB ASN 72 9.445 6.828 -7.562 1.00 0.00 1CDR3866
+ATOM 3652 1HD2 ASN 72 7.493 8.715 -5.325 1.00 0.00 1CDR3867
+ATOM 3653 2HD2 ASN 72 8.946 8.566 -6.191 1.00 0.00 1CDR3868
+ATOM 3654 N GLU 73 7.955 5.437 -10.698 1.00 0.00 1CDR3869
+ATOM 3655 CA GLU 73 8.513 5.780 -12.037 1.00 0.00 1CDR3870
+ATOM 3656 C GLU 73 7.662 5.123 -13.128 1.00 0.00 1CDR3871
+ATOM 3657 O GLU 73 8.162 4.717 -14.158 1.00 0.00 1CDR3872
+ATOM 3658 CB GLU 73 9.954 5.272 -12.136 1.00 0.00 1CDR3873
+ATOM 3659 CG GLU 73 10.922 6.445 -11.968 1.00 0.00 1CDR3874
+ATOM 3660 CD GLU 73 12.060 6.317 -12.981 1.00 0.00 1CDR3875
+ATOM 3661 OE1 GLU 73 11.770 6.060 -14.138 1.00 0.00 1CDR3876
+ATOM 3662 OE2 GLU 73 13.202 6.479 -12.584 1.00 0.00 1CDR3877
+ATOM 3663 H GLU 73 7.160 4.868 -10.629 1.00 0.00 1CDR3878
+ATOM 3664 HA GLU 73 8.499 6.852 -12.168 1.00 0.00 1CDR3879
+ATOM 3665 1HB GLU 73 10.131 4.542 -11.360 1.00 0.00 1CDR3880
+ATOM 3666 2HB GLU 73 10.109 4.816 -13.102 1.00 0.00 1CDR3881
+ATOM 3667 1HG GLU 73 10.395 7.374 -12.131 1.00 0.00 1CDR3882
+ATOM 3668 2HG GLU 73 11.331 6.434 -10.969 1.00 0.00 1CDR3883
+ATOM 3669 N GLN 74 6.380 5.021 -12.909 1.00 0.00 1CDR3884
+ATOM 3670 CA GLN 74 5.497 4.394 -13.934 1.00 0.00 1CDR3885
+ATOM 3671 C GLN 74 4.492 5.431 -14.437 1.00 0.00 1CDR3886
+ATOM 3672 O GLN 74 4.610 5.943 -15.532 1.00 0.00 1CDR3887
+ATOM 3673 CB GLN 74 4.743 3.217 -13.311 1.00 0.00 1CDR3888
+ATOM 3674 CG GLN 74 5.537 1.928 -13.532 1.00 0.00 1CDR3889
+ATOM 3675 CD GLN 74 4.635 0.721 -13.270 1.00 0.00 1CDR3890
+ATOM 3676 OE1 GLN 74 4.820 -0.329 -13.852 1.00 0.00 1CDR3891
+ATOM 3677 NE2 GLN 74 3.658 0.825 -12.411 1.00 0.00 1CDR3892
+ATOM 3678 H GLN 74 5.998 5.357 -12.072 1.00 0.00 1CDR3893
+ATOM 3679 HA GLN 74 6.096 4.042 -14.760 1.00 0.00 1CDR3894
+ATOM 3680 1HB GLN 74 4.622 3.389 -12.251 1.00 0.00 1CDR3895
+ATOM 3681 2HB GLN 74 3.773 3.125 -13.775 1.00 0.00 1CDR3896
+ATOM 3682 1HG GLN 74 5.894 1.897 -14.551 1.00 0.00 1CDR3897
+ATOM 3683 2HG GLN 74 6.377 1.901 -12.854 1.00 0.00 1CDR3898
+ATOM 3684 1HE2 GLN 74 3.074 0.057 -12.238 1.00 0.00 1CDR3899
+ATOM 3685 2HE2 GLN 74 3.508 1.671 -11.940 1.00 0.00 1CDR3900
+ATOM 3686 N LEU 75 3.504 5.747 -13.644 1.00 0.00 1CDR3901
+ATOM 3687 CA LEU 75 2.495 6.753 -14.078 1.00 0.00 1CDR3902
+ATOM 3688 C LEU 75 3.195 8.085 -14.356 1.00 0.00 1CDR3903
+ATOM 3689 O LEU 75 3.032 8.674 -15.407 1.00 0.00 1CDR3904
+ATOM 3690 CB LEU 75 1.456 6.944 -12.970 1.00 0.00 1CDR3905
+ATOM 3691 CG LEU 75 0.187 6.167 -13.321 1.00 0.00 1CDR3906
+ATOM 3692 CD1 LEU 75 -0.793 6.237 -12.148 1.00 0.00 1CDR3907
+ATOM 3693 CD2 LEU 75 -0.462 6.782 -14.563 1.00 0.00 1CDR3908
+ATOM 3694 H LEU 75 3.428 5.323 -12.764 1.00 0.00 1CDR3909
+ATOM 3695 HA LEU 75 2.005 6.409 -14.976 1.00 0.00 1CDR3910
+ATOM 3696 1HB LEU 75 1.856 6.580 -12.036 1.00 0.00 1CDR3911
+ATOM 3697 2HB LEU 75 1.220 7.994 -12.876 1.00 0.00 1CDR3912
+ATOM 3698 HG LEU 75 0.439 5.135 -13.517 1.00 0.00 1CDR3913
+ATOM 3699 1HD1 LEU 75 -0.358 6.822 -11.351 1.00 0.00 1CDR3914
+ATOM 3700 2HD1 LEU 75 -1.713 6.700 -12.474 1.00 0.00 1CDR3915
+ATOM 3701 3HD1 LEU 75 -1.000 5.239 -11.791 1.00 0.00 1CDR3916
+ATOM 3702 1HD2 LEU 75 0.274 7.353 -15.109 1.00 0.00 1CDR3917
+ATOM 3703 2HD2 LEU 75 -0.849 5.996 -15.194 1.00 0.00 1CDR3918
+ATOM 3704 3HD2 LEU 75 -1.271 7.434 -14.262 1.00 0.00 1CDR3919
+ATOM 3705 N GLU 76 3.974 8.564 -13.425 1.00 0.00 1CDR3920
+ATOM 3706 CA GLU 76 4.685 9.856 -13.639 1.00 0.00 1CDR3921
+ATOM 3707 C GLU 76 5.280 9.881 -15.049 1.00 0.00 1CDR3922
+ATOM 3708 O GLU 76 6.245 9.202 -15.338 1.00 0.00 1CDR3923
+ATOM 3709 CB GLU 76 5.807 9.998 -12.607 1.00 0.00 1CDR3924
+ATOM 3710 CG GLU 76 5.641 11.318 -11.852 1.00 0.00 1CDR3925
+ATOM 3711 CD GLU 76 6.377 12.431 -12.600 1.00 0.00 1CDR3926
+ATOM 3712 OE1 GLU 76 6.947 12.143 -13.640 1.00 0.00 1CDR3927
+ATOM 3713 OE2 GLU 76 6.358 13.552 -12.121 1.00 0.00 1CDR3928
+ATOM 3714 H GLU 76 4.093 8.072 -12.586 1.00 0.00 1CDR3929
+ATOM 3715 HA GLU 76 3.988 10.674 -13.527 1.00 0.00 1CDR3930
+ATOM 3716 1HB GLU 76 5.760 9.174 -11.909 1.00 0.00 1CDR3931
+ATOM 3717 2HB GLU 76 6.762 9.990 -13.110 1.00 0.00 1CDR3932
+ATOM 3718 1HG GLU 76 4.591 11.563 -11.782 1.00 0.00 1CDR3933
+ATOM 3719 2HG GLU 76 6.055 11.221 -10.859 1.00 0.00 1CDR3934
+ATOM 3720 N ASN 77 4.709 10.658 -15.930 1.00 0.00 1CDR3935
+ATOM 3721 CA ASN 77 5.239 10.724 -17.322 1.00 0.00 1CDR3936
+ATOM 3722 C ASN 77 5.256 9.320 -17.928 1.00 0.00 1CDR3937
+ATOM 3723 O ASN 77 6.257 8.640 -17.771 1.00 0.00 1CDR3938
+ATOM 3724 CB ASN 77 6.662 11.288 -17.303 1.00 0.00 1CDR3939
+ATOM 3725 CG ASN 77 6.792 12.381 -18.367 1.00 0.00 1CDR3940
+ATOM 3726 OD1 ASN 77 7.753 12.412 -19.110 1.00 0.00 1CDR3941
+ATOM 3727 ND2 ASN 77 5.858 13.288 -18.471 1.00 0.00 1CDR3942
+ATOM 3728 OXT ASN 77 4.267 8.948 -18.538 1.00 0.00 1CDR3943
+ATOM 3729 H ASN 77 3.932 11.196 -15.676 1.00 0.00 1CDR3944
+ATOM 3730 HA ASN 77 4.606 11.365 -17.917 1.00 0.00 1CDR3945
+ATOM 3731 1HB ASN 77 6.870 11.706 -16.329 1.00 0.00 1CDR3946
+ATOM 3732 2HB ASN 77 7.366 10.498 -17.514 1.00 0.00 1CDR3947
+ATOM 3733 1HD2 ASN 77 5.932 13.991 -19.149 1.00 0.00 1CDR3948
+ATOM 3734 2HD2 ASN 77 5.083 13.263 -17.871 1.00 0.00 1CDR3949
+TER 3735 ASN 77 1CDR3950
+HETATM 3736 C1 NAG 78 10.140 -10.920 0.671 1.00 0.00 1 1CDR3951
+HETATM 3737 C2 NAG 78 10.918 -9.625 0.466 1.00 0.00 1 1CDR3952
+HETATM 3738 C3 NAG 78 12.365 -9.860 0.857 1.00 0.00 1 1CDR3953
+HETATM 3739 C4 NAG 78 12.400 -10.302 2.310 1.00 0.00 1 1CDR3954
+HETATM 3740 C5 NAG 78 11.582 -11.580 2.458 1.00 0.00 1 1CDR3955
+HETATM 3741 C6 NAG 78 11.542 -12.097 3.883 1.00 0.00 1 1CDR3956
+HETATM 3742 C7 NAG 78 11.053 -7.959 -1.240 1.00 0.00 1 1CDR3957
+HETATM 3743 C8 NAG 78 10.960 -7.587 -2.711 1.00 0.00 1 1CDR3958
+HETATM 3744 N2 NAG 78 10.841 -9.207 -0.920 1.00 0.00 1 1CDR3959
+HETATM 3745 O3 NAG 78 13.117 -8.668 0.685 1.00 0.00 1 1CDR3960
+HETATM 3746 O4 NAG 78 13.759 -10.535 2.724 1.00 0.00 1 1CDR3961
+HETATM 3747 O5 NAG 78 10.217 -11.341 2.043 1.00 0.00 1 1CDR3962
+HETATM 3748 O6 NAG 78 10.556 -13.140 4.003 1.00 0.00 1 1CDR3963
+HETATM 3749 O7 NAG 78 11.316 -7.129 -0.391 1.00 0.00 1 1CDR3964
+HETATM 3750 H1 NAG 78 10.582 -11.722 0.058 1.00 0.00 1 1CDR3965
+HETATM 3751 H2 NAG 78 10.494 -8.846 1.114 1.00 0.00 1 1CDR3966
+HETATM 3752 H3 NAG 78 12.776 -10.662 0.228 1.00 0.00 1 1CDR3967
+HETATM 3753 H4 NAG 78 11.947 -9.516 2.930 1.00 0.00 1 1CDR3968
+HETATM 3754 H5 NAG 78 12.000 -12.356 1.803 1.00 0.00 1 1CDR3969
+HETATM 3755 1H6 NAG 78 11.303 -11.266 4.561 1.00 0.00 1 1CDR3970
+HETATM 3756 2H6 NAG 78 12.536 -12.482 4.151 1.00 0.00 1 1CDR3971
+HETATM 3757 1H8 NAG 78 11.957 -7.355 -3.109 1.00 0.00 1 1CDR3972
+HETATM 3758 2H8 NAG 78 10.317 -6.705 -2.841 1.00 0.00 1 1CDR3973
+HETATM 3759 3H8 NAG 78 10.536 -8.420 -3.289 1.00 0.00 1 1CDR3974
+HETATM 3760 HN2 NAG 78 10.637 -9.863 -1.618 1.00 0.00 1 1CDR3975
+HETATM 3761 HO3 NAG 78 13.657 -8.743 -0.106 1.00 0.00 1 1CDR3976
+HETATM 3762 C1 NAG 79 14.424 -11.568 2.084 1.00 0.00 1CDR3977
+HETATM 3763 C2 NAG 79 15.919 -11.465 2.351 1.00 0.00 1CDR3978
+HETATM 3764 C3 NAG 79 16.618 -12.624 1.664 1.00 0.00 1CDR3979
+HETATM 3765 C4 NAG 79 16.047 -13.917 2.221 1.00 0.00 1CDR3980
+HETATM 3766 C5 NAG 79 14.545 -13.950 1.953 1.00 0.00 1CDR3981
+HETATM 3767 C6 NAG 79 13.877 -15.202 2.487 1.00 0.00 1CDR3982
+HETATM 3768 C7 NAG 79 17.125 -9.425 2.639 1.00 0.00 1CDR3983
+HETATM 3769 C8 NAG 79 17.633 -8.117 2.057 1.00 0.00 1CDR3984
+HETATM 3770 N2 NAG 79 16.431 -10.203 1.854 1.00 0.00 1CDR3985
+HETATM 3771 O3 NAG 79 18.016 -12.559 1.899 1.00 0.00 1CDR3986
+HETATM 3772 O4 NAG 79 16.678 -15.031 1.604 1.00 0.00 1CDR3987
+HETATM 3773 O5 NAG 79 13.908 -12.813 2.582 1.00 0.00 1CDR3988
+HETATM 3774 O6 NAG 79 12.715 -15.524 1.738 1.00 0.00 1CDR3989
+HETATM 3775 O7 NAG 79 17.353 -9.738 3.791 1.00 0.00 1CDR3990
+HETATM 3776 H1 NAG 79 14.228 -11.531 1.002 1.00 0.00 1CDR3991
+HETATM 3777 H2 NAG 79 16.095 -11.534 3.433 1.00 0.00 1CDR3992
+HETATM 3778 H3 NAG 79 16.412 -12.577 0.585 1.00 0.00 1CDR3993
+HETATM 3779 H4 NAG 79 16.216 -13.942 3.306 1.00 0.00 1CDR3994
+HETATM 3780 H5 NAG 79 14.368 -13.877 0.872 1.00 0.00 1CDR3995
+HETATM 3781 1H6 NAG 79 13.613 -15.041 3.541 1.00 0.00 1CDR3996
+HETATM 3782 2H6 NAG 79 14.595 -16.033 2.441 1.00 0.00 1CDR3997
+HETATM 3783 1H8 NAG 79 18.443 -8.307 1.339 1.00 0.00 1CDR3998
+HETATM 3784 2H8 NAG 79 18.019 -7.469 2.857 1.00 0.00 1CDR3999
+HETATM 3785 3H8 NAG 79 16.821 -7.589 1.540 1.00 0.00 1CDR4000
+HETATM 3786 HN2 NAG 79 16.257 -9.933 0.927 1.00 0.00 1CDR4001
+HETATM 3787 HO4 NAG 79 16.072 -15.432 0.976 1.00 0.00 1CDR4002
+HETATM 3788 HO3 NAG 79 18.329 -11.670 1.713 1.00 0.00 1CDR4003
+HETATM 3789 HO6 NAG 79 12.944 -15.591 0.808 1.00 0.00 1CDR4004
+HETATM 3790 C1 FUC 80 10.322 -13.479 5.339 1.00 0.00 1CDR4005
+HETATM 3791 C2 FUC 80 8.821 -13.618 5.559 1.00 0.00 1CDR4006
+HETATM 3792 C3 FUC 80 8.305 -14.769 4.710 1.00 0.00 1CDR4007
+HETATM 3793 C4 FUC 80 9.039 -16.032 5.132 1.00 0.00 1CDR4008
+HETATM 3794 C5 FUC 80 10.536 -15.826 4.918 1.00 0.00 1CDR4009
+HETATM 3795 C6 FUC 80 11.366 -17.025 5.335 1.00 0.00 1CDR4010
+HETATM 3796 O2 FUC 80 8.165 -12.413 5.194 1.00 0.00 1CDR4011
+HETATM 3797 O3 FUC 80 6.906 -14.924 4.898 1.00 0.00 1CDR4012
+HETATM 3798 O4 FUC 80 8.774 -16.315 6.497 1.00 0.00 1CDR4013
+HETATM 3799 O5 FUC 80 10.982 -14.694 5.694 1.00 0.00 1CDR4014
+HETATM 3800 H1 FUC 80 10.725 -12.688 5.992 1.00 0.00 1CDR4015
+HETATM 3801 H2 FUC 80 8.635 -13.845 6.618 1.00 0.00 1CDR4016
+HETATM 3802 H3 FUC 80 8.526 -14.564 3.654 1.00 0.00 1CDR4017
+HETATM 3803 H4 FUC 80 8.701 -16.866 4.501 1.00 0.00 1CDR4018
+HETATM 3804 H5 FUC 80 10.725 -15.604 3.858 1.00 0.00 1CDR4019
+HETATM 3805 1H6 FUC 80 11.984 -17.364 4.492 1.00 0.00 1CDR4020
+HETATM 3806 2H6 FUC 80 10.706 -17.847 5.647 1.00 0.00 1CDR4021
+HETATM 3807 3H6 FUC 80 12.020 -16.754 6.175 1.00 0.00 1CDR4022
+HETATM 3808 HO2 FUC 80 8.598 -11.672 5.625 1.00 0.00 1CDR4023
+HETATM 3809 HO3 FUC 80 6.747 -15.456 5.681 1.00 0.00 1CDR4024
+HETATM 3810 HO4 FUC 80 8.525 -17.237 6.589 1.00 0.00 1CDR4025
+ENDMDL 1CDR4026
+MODEL 4 1CDR4027
+ATOM 3811 N LEU 1 5.366 -12.071 -5.818 1.00 0.00 1CDR4028
+ATOM 3812 CA LEU 1 5.087 -10.648 -6.161 1.00 0.00 1CDR4029
+ATOM 3813 C LEU 1 5.332 -9.769 -4.932 1.00 0.00 1CDR4030
+ATOM 3814 O LEU 1 4.727 -9.953 -3.895 1.00 0.00 1CDR4031
+ATOM 3815 CB LEU 1 3.631 -10.507 -6.607 1.00 0.00 1CDR4032
+ATOM 3816 CG LEU 1 3.425 -9.136 -7.252 1.00 0.00 1CDR4033
+ATOM 3817 CD1 LEU 1 3.487 -9.271 -8.775 1.00 0.00 1CDR4034
+ATOM 3818 CD2 LEU 1 2.058 -8.584 -6.846 1.00 0.00 1CDR4035
+ATOM 3819 1H LEU 1 6.000 -12.113 -4.996 1.00 0.00 1CDR4036
+ATOM 3820 2H LEU 1 4.472 -12.555 -5.593 1.00 0.00 1CDR4037
+ATOM 3821 3H LEU 1 5.820 -12.541 -6.627 1.00 0.00 1CDR4038
+ATOM 3822 HA LEU 1 5.741 -10.337 -6.963 1.00 0.00 1CDR4039
+ATOM 3823 1HB LEU 1 3.396 -11.283 -7.323 1.00 0.00 1CDR4040
+ATOM 3824 2HB LEU 1 2.981 -10.600 -5.750 1.00 0.00 1CDR4041
+ATOM 3825 HG LEU 1 4.201 -8.463 -6.919 1.00 0.00 1CDR4042
+ATOM 3826 1HD1 LEU 1 4.089 -10.129 -9.036 1.00 0.00 1CDR4043
+ATOM 3827 2HD1 LEU 1 2.488 -9.399 -9.165 1.00 0.00 1CDR4044
+ATOM 3828 3HD1 LEU 1 3.927 -8.380 -9.197 1.00 0.00 1CDR4045
+ATOM 3829 1HD2 LEU 1 1.473 -9.370 -6.391 1.00 0.00 1CDR4046
+ATOM 3830 2HD2 LEU 1 2.190 -7.779 -6.138 1.00 0.00 1CDR4047
+ATOM 3831 3HD2 LEU 1 1.544 -8.212 -7.720 1.00 0.00 1CDR4048
+ATOM 3832 N GLN 2 6.215 -8.815 -5.041 1.00 0.00 1CDR4049
+ATOM 3833 CA GLN 2 6.501 -7.924 -3.881 1.00 0.00 1CDR4050
+ATOM 3834 C GLN 2 5.943 -6.530 -4.162 1.00 0.00 1CDR4051
+ATOM 3835 O GLN 2 5.700 -6.161 -5.293 1.00 0.00 1CDR4052
+ATOM 3836 CB GLN 2 8.012 -7.836 -3.665 1.00 0.00 1CDR4053
+ATOM 3837 CG GLN 2 8.495 -9.097 -2.946 1.00 0.00 1CDR4054
+ATOM 3838 CD GLN 2 9.852 -9.520 -3.512 1.00 0.00 1CDR4055
+ATOM 3839 OE1 GLN 2 10.579 -8.709 -4.051 1.00 0.00 1CDR4056
+ATOM 3840 NE2 GLN 2 10.226 -10.765 -3.409 1.00 0.00 1CDR4057
+ATOM 3841 H GLN 2 6.692 -8.685 -5.888 1.00 0.00 1CDR4058
+ATOM 3842 HA GLN 2 6.033 -8.321 -2.993 1.00 0.00 1CDR4059
+ATOM 3843 1HB GLN 2 8.509 -7.752 -4.621 1.00 0.00 1CDR4060
+ATOM 3844 2HB GLN 2 8.240 -6.970 -3.062 1.00 0.00 1CDR4061
+ATOM 3845 1HG GLN 2 8.592 -8.893 -1.890 1.00 0.00 1CDR4062
+ATOM 3846 2HG GLN 2 7.782 -9.893 -3.097 1.00 0.00 1CDR4063
+ATOM 3847 1HE2 GLN 2 11.094 -11.048 -3.767 1.00 0.00 1CDR4064
+ATOM 3848 2HE2 GLN 2 9.640 -11.419 -2.974 1.00 0.00 1CDR4065
+ATOM 3849 N CYS 3 5.738 -5.755 -3.136 1.00 0.00 1CDR4066
+ATOM 3850 CA CYS 3 5.193 -4.382 -3.339 1.00 0.00 1CDR4067
+ATOM 3851 C CYS 3 5.801 -3.425 -2.313 1.00 0.00 1CDR4068
+ATOM 3852 O CYS 3 6.390 -3.841 -1.335 1.00 0.00 1CDR4069
+ATOM 3853 CB CYS 3 3.677 -4.406 -3.172 1.00 0.00 1CDR4070
+ATOM 3854 SG CYS 3 2.906 -4.916 -4.726 1.00 0.00 1CDR4071
+ATOM 3855 H CYS 3 5.938 -6.077 -2.232 1.00 0.00 1CDR4072
+ATOM 3856 HA CYS 3 5.435 -4.044 -4.332 1.00 0.00 1CDR4073
+ATOM 3857 1HB CYS 3 3.419 -5.105 -2.396 1.00 0.00 1CDR4074
+ATOM 3858 2HB CYS 3 3.329 -3.421 -2.902 1.00 0.00 1CDR4075
+ATOM 3859 N TYR 4 5.658 -2.145 -2.525 1.00 0.00 1CDR4076
+ATOM 3860 CA TYR 4 6.225 -1.161 -1.560 1.00 0.00 1CDR4077
+ATOM 3861 C TYR 4 5.180 -0.840 -0.489 1.00 0.00 1CDR4078
+ATOM 3862 O TYR 4 4.162 -0.233 -0.762 1.00 0.00 1CDR4079
+ATOM 3863 CB TYR 4 6.608 0.122 -2.300 1.00 0.00 1CDR4080
+ATOM 3864 CG TYR 4 7.788 -0.151 -3.202 1.00 0.00 1CDR4081
+ATOM 3865 CD1 TYR 4 9.083 -0.171 -2.673 1.00 0.00 1CDR4082
+ATOM 3866 CD2 TYR 4 7.586 -0.387 -4.568 1.00 0.00 1CDR4083
+ATOM 3867 CE1 TYR 4 10.177 -0.425 -3.508 1.00 0.00 1CDR4084
+ATOM 3868 CE2 TYR 4 8.680 -0.640 -5.404 1.00 0.00 1CDR4085
+ATOM 3869 CZ TYR 4 9.976 -0.661 -4.873 1.00 0.00 1CDR4086
+ATOM 3870 OH TYR 4 11.055 -0.911 -5.697 1.00 0.00 1CDR4087
+ATOM 3871 H TYR 4 5.178 -1.831 -3.319 1.00 0.00 1CDR4088
+ATOM 3872 HA TYR 4 7.102 -1.582 -1.090 1.00 0.00 1CDR4089
+ATOM 3873 1HB TYR 4 5.771 0.459 -2.892 1.00 0.00 1CDR4090
+ATOM 3874 2HB TYR 4 6.874 0.885 -1.584 1.00 0.00 1CDR4091
+ATOM 3875 HD1 TYR 4 9.238 0.011 -1.620 1.00 0.00 1CDR4092
+ATOM 3876 HD2 TYR 4 6.587 -0.372 -4.977 1.00 0.00 1CDR4093
+ATOM 3877 HE1 TYR 4 11.176 -0.440 -3.099 1.00 0.00 1CDR4094
+ATOM 3878 HE2 TYR 4 8.525 -0.822 -6.457 1.00 0.00 1CDR4095
+ATOM 3879 HH TYR 4 10.804 -0.680 -6.594 1.00 0.00 1CDR4096
+ATOM 3880 N ASN 5 5.422 -1.244 0.728 1.00 0.00 1CDR4097
+ATOM 3881 CA ASN 5 4.445 -0.966 1.816 1.00 0.00 1CDR4098
+ATOM 3882 C ASN 5 5.148 -0.229 2.960 1.00 0.00 1CDR4099
+ATOM 3883 O ASN 5 6.279 -0.520 3.295 1.00 0.00 1CDR4100
+ATOM 3884 CB ASN 5 3.872 -2.285 2.337 1.00 0.00 1CDR4101
+ATOM 3885 CG ASN 5 2.352 -2.168 2.464 1.00 0.00 1CDR4102
+ATOM 3886 OD1 ASN 5 1.702 -1.606 1.607 1.00 0.00 1CDR4103
+ATOM 3887 ND2 ASN 5 1.755 -2.681 3.506 1.00 0.00 1CDR4104
+ATOM 3888 H ASN 5 6.248 -1.733 0.926 1.00 0.00 1CDR4105
+ATOM 3889 HA ASN 5 3.644 -0.352 1.433 1.00 0.00 1CDR4106
+ATOM 3890 1HB ASN 5 4.116 -3.081 1.647 1.00 0.00 1CDR4107
+ATOM 3891 2HB ASN 5 4.296 -2.505 3.305 1.00 0.00 1CDR4108
+ATOM 3892 1HD2 ASN 5 0.782 -2.610 3.596 1.00 0.00 1CDR4109
+ATOM 3893 2HD2 ASN 5 2.279 -3.135 4.197 1.00 0.00 1CDR4110
+ATOM 3894 N CYS 6 4.486 0.721 3.561 1.00 0.00 1CDR4111
+ATOM 3895 CA CYS 6 5.116 1.476 4.684 1.00 0.00 1CDR4112
+ATOM 3896 C CYS 6 4.030 1.894 5.680 1.00 0.00 1CDR4113
+ATOM 3897 O CYS 6 2.855 1.793 5.391 1.00 0.00 1CDR4114
+ATOM 3898 CB CYS 6 5.844 2.732 4.167 1.00 0.00 1CDR4115
+ATOM 3899 SG CYS 6 5.533 2.986 2.397 1.00 0.00 1CDR4116
+ATOM 3900 H CYS 6 3.575 0.939 3.276 1.00 0.00 1CDR4117
+ATOM 3901 HA CYS 6 5.826 0.834 5.185 1.00 0.00 1CDR4118
+ATOM 3902 1HB CYS 6 5.495 3.594 4.713 1.00 0.00 1CDR4119
+ATOM 3903 2HB CYS 6 6.906 2.617 4.329 1.00 0.00 1CDR4120
+ATOM 3904 N PRO 7 4.461 2.348 6.830 1.00 0.00 1CDR4121
+ATOM 3905 CA PRO 7 3.550 2.786 7.904 1.00 0.00 1CDR4122
+ATOM 3906 C PRO 7 2.987 4.180 7.607 1.00 0.00 1CDR4123
+ATOM 3907 O PRO 7 2.075 4.642 8.262 1.00 0.00 1CDR4124
+ATOM 3908 CB PRO 7 4.448 2.818 9.144 1.00 0.00 1CDR4125
+ATOM 3909 CG PRO 7 5.900 2.954 8.627 1.00 0.00 1CDR4126
+ATOM 3910 CD PRO 7 5.895 2.464 7.167 1.00 0.00 1CDR4127
+ATOM 3911 HA PRO 7 2.754 2.074 8.045 1.00 0.00 1CDR4128
+ATOM 3912 1HB PRO 7 4.190 3.665 9.765 1.00 0.00 1CDR4129
+ATOM 3913 2HB PRO 7 4.346 1.900 9.702 1.00 0.00 1CDR4130
+ATOM 3914 1HG PRO 7 6.213 3.989 8.672 1.00 0.00 1CDR4131
+ATOM 3915 2HG PRO 7 6.564 2.339 9.215 1.00 0.00 1CDR4132
+ATOM 3916 1HD PRO 7 6.379 3.186 6.524 1.00 0.00 1CDR4133
+ATOM 3917 2HD PRO 7 6.375 1.501 7.088 1.00 0.00 1CDR4134
+ATOM 3918 N ASN 8 3.525 4.856 6.628 1.00 0.00 1CDR4135
+ATOM 3919 CA ASN 8 3.014 6.219 6.303 1.00 0.00 1CDR4136
+ATOM 3920 C ASN 8 2.936 6.393 4.784 1.00 0.00 1CDR4137
+ATOM 3921 O ASN 8 3.656 5.748 4.049 1.00 0.00 1CDR4138
+ATOM 3922 CB ASN 8 3.959 7.270 6.890 1.00 0.00 1CDR4139
+ATOM 3923 CG ASN 8 5.396 6.751 6.836 1.00 0.00 1CDR4140
+ATOM 3924 OD1 ASN 8 5.744 5.977 5.966 1.00 0.00 1CDR4141
+ATOM 3925 ND2 ASN 8 6.254 7.149 7.736 1.00 0.00 1CDR4142
+ATOM 3926 H ASN 8 4.262 4.471 6.110 1.00 0.00 1CDR4143
+ATOM 3927 HA ASN 8 2.031 6.344 6.727 1.00 0.00 1CDR4144
+ATOM 3928 1HB ASN 8 3.882 8.182 6.317 1.00 0.00 1CDR4145
+ATOM 3929 2HB ASN 8 3.687 7.464 7.917 1.00 0.00 1CDR4146
+ATOM 3930 1HD2 ASN 8 7.179 6.823 7.709 1.00 0.00 1CDR4147
+ATOM 3931 2HD2 ASN 8 5.975 7.772 8.437 1.00 0.00 1CDR4148
+ATOM 3932 N PRO 9 2.059 7.268 4.363 1.00 0.00 1CDR4149
+ATOM 3933 CA PRO 9 1.855 7.561 2.936 1.00 0.00 1CDR4150
+ATOM 3934 C PRO 9 2.971 8.464 2.418 1.00 0.00 1CDR4151
+ATOM 3935 O PRO 9 2.820 9.665 2.307 1.00 0.00 1CDR4152
+ATOM 3936 CB PRO 9 0.505 8.281 2.903 1.00 0.00 1CDR4153
+ATOM 3937 CG PRO 9 0.286 8.857 4.323 1.00 0.00 1CDR4154
+ATOM 3938 CD PRO 9 1.190 8.046 5.271 1.00 0.00 1CDR4155
+ATOM 3939 HA PRO 9 1.808 6.651 2.362 1.00 0.00 1CDR4156
+ATOM 3940 1HB PRO 9 0.529 9.079 2.173 1.00 0.00 1CDR4157
+ATOM 3941 2HB PRO 9 -0.283 7.584 2.668 1.00 0.00 1CDR4158
+ATOM 3942 1HG PRO 9 0.565 9.902 4.345 1.00 0.00 1CDR4159
+ATOM 3943 2HG PRO 9 -0.745 8.742 4.616 1.00 0.00 1CDR4160
+ATOM 3944 1HD PRO 9 1.780 8.708 5.889 1.00 0.00 1CDR4161
+ATOM 3945 2HD PRO 9 0.600 7.381 5.881 1.00 0.00 1CDR4162
+ATOM 3946 N THR 10 4.092 7.887 2.103 1.00 0.00 1CDR4163
+ATOM 3947 CA THR 10 5.232 8.697 1.589 1.00 0.00 1CDR4164
+ATOM 3948 C THR 10 5.213 8.695 0.060 1.00 0.00 1CDR4165
+ATOM 3949 O THR 10 4.403 8.034 -0.559 1.00 0.00 1CDR4166
+ATOM 3950 CB THR 10 6.548 8.090 2.084 1.00 0.00 1CDR4167
+ATOM 3951 OG1 THR 10 7.635 8.708 1.409 1.00 0.00 1CDR4168
+ATOM 3952 CG2 THR 10 6.554 6.588 1.800 1.00 0.00 1CDR4169
+ATOM 3953 H THR 10 4.182 6.915 2.205 1.00 0.00 1CDR4170
+ATOM 3954 HA THR 10 5.145 9.711 1.951 1.00 0.00 1CDR4171
+ATOM 3955 HB THR 10 6.644 8.252 3.145 1.00 0.00 1CDR4172
+ATOM 3956 HG1 THR 10 7.630 9.641 1.633 1.00 0.00 1CDR4173
+ATOM 3957 1HG2 THR 10 5.794 6.358 1.069 1.00 0.00 1CDR4174
+ATOM 3958 2HG2 THR 10 7.522 6.299 1.417 1.00 0.00 1CDR4175
+ATOM 3959 3HG2 THR 10 6.351 6.048 2.713 1.00 0.00 1CDR4176
+ATOM 3960 N ALA 11 6.100 9.428 -0.555 1.00 0.00 1CDR4177
+ATOM 3961 CA ALA 11 6.134 9.466 -2.043 1.00 0.00 1CDR4178
+ATOM 3962 C ALA 11 7.442 8.846 -2.537 1.00 0.00 1CDR4179
+ATOM 3963 O ALA 11 8.021 9.286 -3.511 1.00 0.00 1CDR4180
+ATOM 3964 CB ALA 11 6.044 10.916 -2.522 1.00 0.00 1CDR4181
+ATOM 3965 H ALA 11 6.747 9.953 -0.037 1.00 0.00 1CDR4182
+ATOM 3966 HA ALA 11 5.299 8.904 -2.436 1.00 0.00 1CDR4183
+ATOM 3967 1HB ALA 11 6.345 11.578 -1.723 1.00 0.00 1CDR4184
+ATOM 3968 2HB ALA 11 6.696 11.056 -3.371 1.00 0.00 1CDR4185
+ATOM 3969 3HB ALA 11 5.027 11.139 -2.809 1.00 0.00 1CDR4186
+ATOM 3970 N ASP 12 7.915 7.828 -1.871 1.00 0.00 1CDR4187
+ATOM 3971 CA ASP 12 9.188 7.183 -2.306 1.00 0.00 1CDR4188
+ATOM 3972 C ASP 12 9.444 5.931 -1.465 1.00 0.00 1CDR4189
+ATOM 3973 O ASP 12 10.569 5.606 -1.147 1.00 0.00 1CDR4190
+ATOM 3974 CB ASP 12 10.346 8.166 -2.122 1.00 0.00 1CDR4191
+ATOM 3975 CG ASP 12 11.138 8.272 -3.427 1.00 0.00 1CDR4192
+ATOM 3976 OD1 ASP 12 10.605 7.887 -4.454 1.00 0.00 1CDR4193
+ATOM 3977 OD2 ASP 12 12.265 8.736 -3.377 1.00 0.00 1CDR4194
+ATOM 3978 H ASP 12 7.435 7.487 -1.088 1.00 0.00 1CDR4195
+ATOM 3979 HA ASP 12 9.112 6.908 -3.347 1.00 0.00 1CDR4196
+ATOM 3980 1HB ASP 12 9.956 9.137 -1.857 1.00 0.00 1CDR4197
+ATOM 3981 2HB ASP 12 10.998 7.812 -1.336 1.00 0.00 1CDR4198
+ATOM 3982 N CYS 13 8.409 5.223 -1.105 1.00 0.00 1CDR4199
+ATOM 3983 CA CYS 13 8.600 3.990 -0.291 1.00 0.00 1CDR4200
+ATOM 3984 C CYS 13 9.538 3.039 -1.035 1.00 0.00 1CDR4201
+ATOM 3985 O CYS 13 9.318 2.708 -2.182 1.00 0.00 1CDR4202
+ATOM 3986 CB CYS 13 7.248 3.308 -0.073 1.00 0.00 1CDR4203
+ATOM 3987 SG CYS 13 7.262 2.433 1.510 1.00 0.00 1CDR4204
+ATOM 3988 H CYS 13 7.508 5.499 -1.375 1.00 0.00 1CDR4205
+ATOM 3989 HA CYS 13 9.032 4.252 0.663 1.00 0.00 1CDR4206
+ATOM 3990 1HB CYS 13 6.468 4.053 -0.064 1.00 0.00 1CDR4207
+ATOM 3991 2HB CYS 13 7.067 2.606 -0.873 1.00 0.00 1CDR4208
+ATOM 3992 N LYS 14 10.586 2.598 -0.394 1.00 0.00 1CDR4209
+ATOM 3993 CA LYS 14 11.536 1.673 -1.073 1.00 0.00 1CDR4210
+ATOM 3994 C LYS 14 11.798 0.456 -0.184 1.00 0.00 1CDR4211
+ATOM 3995 O LYS 14 12.774 -0.248 -0.355 1.00 0.00 1CDR4212
+ATOM 3996 CB LYS 14 12.855 2.403 -1.338 1.00 0.00 1CDR4213
+ATOM 3997 CG LYS 14 13.376 3.008 -0.033 1.00 0.00 1CDR4214
+ATOM 3998 CD LYS 14 13.540 4.520 -0.199 1.00 0.00 1CDR4215
+ATOM 3999 CE LYS 14 14.333 5.082 0.982 1.00 0.00 1CDR4216
+ATOM 4000 NZ LYS 14 14.110 6.553 1.075 1.00 0.00 1CDR4217
+ATOM 4001 H LYS 14 10.749 2.879 0.531 1.00 0.00 1CDR4218
+ATOM 4002 HA LYS 14 11.111 1.347 -2.010 1.00 0.00 1CDR4219
+ATOM 4003 1HB LYS 14 13.581 1.704 -1.727 1.00 0.00 1CDR4220
+ATOM 4004 2HB LYS 14 12.691 3.191 -2.057 1.00 0.00 1CDR4221
+ATOM 4005 1HG LYS 14 12.673 2.806 0.763 1.00 0.00 1CDR4222
+ATOM 4006 2HG LYS 14 14.332 2.568 0.211 1.00 0.00 1CDR4223
+ATOM 4007 1HD LYS 14 14.068 4.724 -1.119 1.00 0.00 1CDR4224
+ATOM 4008 2HD LYS 14 12.567 4.986 -0.231 1.00 0.00 1CDR4225
+ATOM 4009 1HE LYS 14 14.004 4.609 1.895 1.00 0.00 1CDR4226
+ATOM 4010 2HE LYS 14 15.385 4.888 0.835 1.00 0.00 1CDR4227
+ATOM 4011 1HZ LYS 14 13.182 6.789 0.669 1.00 0.00 1CDR4228
+ATOM 4012 2HZ LYS 14 14.132 6.845 2.073 1.00 0.00 1CDR4229
+ATOM 4013 3HZ LYS 14 14.856 7.051 0.549 1.00 0.00 1CDR4230
+ATOM 4014 N THR 15 10.938 0.200 0.762 1.00 0.00 1CDR4231
+ATOM 4015 CA THR 15 11.148 -0.977 1.653 1.00 0.00 1CDR4232
+ATOM 4016 C THR 15 10.881 -2.264 0.869 1.00 0.00 1CDR4233
+ATOM 4017 O THR 15 11.405 -3.313 1.185 1.00 0.00 1CDR4234
+ATOM 4018 CB THR 15 10.192 -0.895 2.844 1.00 0.00 1CDR4235
+ATOM 4019 OG1 THR 15 10.384 -2.028 3.680 1.00 0.00 1CDR4236
+ATOM 4020 CG2 THR 15 8.748 -0.868 2.343 1.00 0.00 1CDR4237
+ATOM 4021 H THR 15 10.156 0.778 0.886 1.00 0.00 1CDR4238
+ATOM 4022 HA THR 15 12.168 -0.979 2.011 1.00 0.00 1CDR4239
+ATOM 4023 HB THR 15 10.390 0.004 3.406 1.00 0.00 1CDR4240
+ATOM 4024 HG1 THR 15 9.968 -1.848 4.526 1.00 0.00 1CDR4241
+ATOM 4025 1HG2 THR 15 8.742 -0.820 1.264 1.00 0.00 1CDR4242
+ATOM 4026 2HG2 THR 15 8.238 -1.763 2.666 1.00 0.00 1CDR4243
+ATOM 4027 3HG2 THR 15 8.244 -0.002 2.745 1.00 0.00 1CDR4244
+ATOM 4028 N ALA 16 10.072 -2.186 -0.156 1.00 0.00 1CDR4245
+ATOM 4029 CA ALA 16 9.767 -3.397 -0.970 1.00 0.00 1CDR4246
+ATOM 4030 C ALA 16 9.580 -4.604 -0.049 1.00 0.00 1CDR4247
+ATOM 4031 O ALA 16 10.493 -5.372 0.178 1.00 0.00 1CDR4248
+ATOM 4032 CB ALA 16 10.920 -3.660 -1.937 1.00 0.00 1CDR4249
+ATOM 4033 H ALA 16 9.668 -1.327 -0.393 1.00 0.00 1CDR4250
+ATOM 4034 HA ALA 16 8.858 -3.231 -1.531 1.00 0.00 1CDR4251
+ATOM 4035 1HB ALA 16 11.849 -3.689 -1.390 1.00 0.00 1CDR4252
+ATOM 4036 2HB ALA 16 10.764 -4.605 -2.435 1.00 0.00 1CDR4253
+ATOM 4037 3HB ALA 16 10.958 -2.869 -2.672 1.00 0.00 1CDR4254
+ATOM 4038 N VAL 17 8.403 -4.776 0.486 1.00 0.00 1CDR4255
+ATOM 4039 CA VAL 17 8.159 -5.929 1.396 1.00 0.00 1CDR4256
+ATOM 4040 C VAL 17 7.198 -6.918 0.730 1.00 0.00 1CDR4257
+ATOM 4041 O VAL 17 6.305 -6.532 0.000 1.00 0.00 1CDR4258
+ATOM 4042 CB VAL 17 7.546 -5.421 2.700 1.00 0.00 1CDR4259
+ATOM 4043 CG1 VAL 17 6.315 -4.569 2.387 1.00 0.00 1CDR4260
+ATOM 4044 CG2 VAL 17 7.134 -6.611 3.569 1.00 0.00 1CDR4261
+ATOM 4045 H VAL 17 7.681 -4.142 0.294 1.00 0.00 1CDR4262
+ATOM 4046 HA VAL 17 9.095 -6.424 1.608 1.00 0.00 1CDR4263
+ATOM 4047 HB VAL 17 8.272 -4.820 3.229 1.00 0.00 1CDR4264
+ATOM 4048 1HG1 VAL 17 6.082 -4.646 1.335 1.00 0.00 1CDR4265
+ATOM 4049 2HG1 VAL 17 5.474 -4.921 2.967 1.00 0.00 1CDR4266
+ATOM 4050 3HG1 VAL 17 6.517 -3.538 2.636 1.00 0.00 1CDR4267
+ATOM 4051 1HG2 VAL 17 7.672 -7.491 3.252 1.00 0.00 1CDR4268
+ATOM 4052 2HG2 VAL 17 7.368 -6.400 4.602 1.00 0.00 1CDR4269
+ATOM 4053 3HG2 VAL 17 6.072 -6.782 3.467 1.00 0.00 1CDR4270
+ATOM 4054 N ASN 18 7.372 -8.188 0.977 1.00 0.00 1 1CDR4271
+ATOM 4055 CA ASN 18 6.465 -9.199 0.361 1.00 0.00 1 1CDR4272
+ATOM 4056 C ASN 18 5.016 -8.867 0.728 1.00 0.00 1 1CDR4273
+ATOM 4057 O ASN 18 4.738 -8.366 1.800 1.00 0.00 1 1CDR4274
+ATOM 4058 CB ASN 18 6.817 -10.592 0.894 1.00 0.00 1 1CDR4275
+ATOM 4059 CG ASN 18 7.960 -11.190 0.070 1.00 0.00 1 1CDR4276
+ATOM 4060 OD1 ASN 18 7.934 -11.180 -1.145 1.00 0.00 1 1CDR4277
+ATOM 4061 ND2 ASN 18 8.963 -11.713 0.725 1.00 0.00 1 1CDR4278
+ATOM 4062 H ASN 18 8.096 -8.477 1.569 1.00 0.00 1 1CDR4279
+ATOM 4063 HA ASN 18 6.580 -9.183 -0.713 1.00 0.00 1 1CDR4280
+ATOM 4064 1HB ASN 18 7.120 -10.513 1.928 1.00 0.00 1 1CDR4281
+ATOM 4065 2HB ASN 18 5.950 -11.232 0.822 1.00 0.00 1 1CDR4282
+ATOM 4066 HD2 ASN 18 8.961 -11.706 1.705 1.00 0.00 1 1CDR4283
+ATOM 4067 N CYS 19 4.091 -9.143 -0.151 1.00 0.00 1CDR4284
+ATOM 4068 CA CYS 19 2.663 -8.841 0.153 1.00 0.00 1CDR4285
+ATOM 4069 C CYS 19 1.977 -10.097 0.695 1.00 0.00 1CDR4286
+ATOM 4070 O CYS 19 2.602 -11.121 0.885 1.00 0.00 1CDR4287
+ATOM 4071 CB CYS 19 1.952 -8.381 -1.122 1.00 0.00 1CDR4288
+ATOM 4072 SG CYS 19 1.837 -6.575 -1.126 1.00 0.00 1CDR4289
+ATOM 4073 H CYS 19 4.334 -9.547 -1.010 1.00 0.00 1CDR4290
+ATOM 4074 HA CYS 19 2.612 -8.056 0.895 1.00 0.00 1CDR4291
+ATOM 4075 1HB CYS 19 2.512 -8.710 -1.986 1.00 0.00 1CDR4292
+ATOM 4076 2HB CYS 19 0.960 -8.805 -1.154 1.00 0.00 1CDR4293
+ATOM 4077 N SER 20 0.699 -10.026 0.944 1.00 0.00 1CDR4294
+ATOM 4078 CA SER 20 -0.025 -11.216 1.474 1.00 0.00 1CDR4295
+ATOM 4079 C SER 20 -0.411 -12.137 0.315 1.00 0.00 1CDR4296
+ATOM 4080 O SER 20 -0.023 -11.923 -0.816 1.00 0.00 1CDR4297
+ATOM 4081 CB SER 20 -1.287 -10.762 2.208 1.00 0.00 1CDR4298
+ATOM 4082 OG SER 20 -0.924 -9.877 3.260 1.00 0.00 1CDR4299
+ATOM 4083 H SER 20 0.213 -9.189 0.784 1.00 0.00 1CDR4300
+ATOM 4084 HA SER 20 0.617 -11.751 2.159 1.00 0.00 1CDR4301
+ATOM 4085 1HB SER 20 -1.940 -10.249 1.522 1.00 0.00 1CDR4302
+ATOM 4086 2HB SER 20 -1.799 -11.626 2.611 1.00 0.00 1CDR4303
+ATOM 4087 HG SER 20 -1.133 -10.304 4.094 1.00 0.00 1CDR4304
+ATOM 4088 N SER 21 -1.173 -13.161 0.587 1.00 0.00 1CDR4305
+ATOM 4089 CA SER 21 -1.584 -14.093 -0.499 1.00 0.00 1CDR4306
+ATOM 4090 C SER 21 -2.849 -13.564 -1.175 1.00 0.00 1CDR4307
+ATOM 4091 O SER 21 -3.277 -14.069 -2.195 1.00 0.00 1CDR4308
+ATOM 4092 CB SER 21 -1.861 -15.475 0.094 1.00 0.00 1CDR4309
+ATOM 4093 OG SER 21 -3.210 -15.534 0.537 1.00 0.00 1CDR4310
+ATOM 4094 H SER 21 -1.475 -13.316 1.506 1.00 0.00 1CDR4311
+ATOM 4095 HA SER 21 -0.790 -14.168 -1.228 1.00 0.00 1CDR4312
+ATOM 4096 1HB SER 21 -1.699 -16.230 -0.656 1.00 0.00 1CDR4313
+ATOM 4097 2HB SER 21 -1.190 -15.649 0.927 1.00 0.00 1CDR4314
+ATOM 4098 HG SER 21 -3.377 -16.422 0.860 1.00 0.00 1CDR4315
+ATOM 4099 N ASP 22 -3.451 -12.549 -0.620 1.00 0.00 1CDR4316
+ATOM 4100 CA ASP 22 -4.685 -11.987 -1.236 1.00 0.00 1CDR4317
+ATOM 4101 C ASP 22 -4.343 -10.682 -1.955 1.00 0.00 1CDR4318
+ATOM 4102 O ASP 22 -5.109 -9.738 -1.946 1.00 0.00 1CDR4319
+ATOM 4103 CB ASP 22 -5.722 -11.713 -0.145 1.00 0.00 1CDR4320
+ATOM 4104 CG ASP 22 -5.183 -10.653 0.818 1.00 0.00 1CDR4321
+ATOM 4105 OD1 ASP 22 -4.337 -10.993 1.628 1.00 0.00 1CDR4322
+ATOM 4106 OD2 ASP 22 -5.625 -9.520 0.728 1.00 0.00 1CDR4323
+ATOM 4107 H ASP 22 -3.089 -12.153 0.201 1.00 0.00 1CDR4324
+ATOM 4108 HA ASP 22 -5.087 -12.695 -1.946 1.00 0.00 1CDR4325
+ATOM 4109 1HB ASP 22 -6.635 -11.356 -0.600 1.00 0.00 1CDR4326
+ATOM 4110 2HB ASP 22 -5.922 -12.623 0.399 1.00 0.00 1CDR4327
+ATOM 4111 N PHE 23 -3.196 -10.619 -2.574 1.00 0.00 1CDR4328
+ATOM 4112 CA PHE 23 -2.804 -9.373 -3.291 1.00 0.00 1CDR4329
+ATOM 4113 C PHE 23 -1.963 -9.732 -4.516 1.00 0.00 1CDR4330
+ATOM 4114 O PHE 23 -0.842 -10.189 -4.399 1.00 0.00 1CDR4331
+ATOM 4115 CB PHE 23 -1.984 -8.486 -2.353 1.00 0.00 1CDR4332
+ATOM 4116 CG PHE 23 -2.875 -7.964 -1.251 1.00 0.00 1CDR4333
+ATOM 4117 CD1 PHE 23 -4.030 -7.241 -1.571 1.00 0.00 1CDR4334
+ATOM 4118 CD2 PHE 23 -2.546 -8.204 0.088 1.00 0.00 1CDR4335
+ATOM 4119 CE1 PHE 23 -4.856 -6.757 -0.549 1.00 0.00 1CDR4336
+ATOM 4120 CE2 PHE 23 -3.373 -7.720 1.109 1.00 0.00 1CDR4337
+ATOM 4121 CZ PHE 23 -4.528 -6.996 0.790 1.00 0.00 1CDR4338
+ATOM 4122 H PHE 23 -2.592 -11.391 -2.567 1.00 0.00 1CDR4339
+ATOM 4123 HA PHE 23 -3.691 -8.843 -3.606 1.00 0.00 1CDR4340
+ATOM 4124 1HB PHE 23 -1.180 -9.065 -1.922 1.00 0.00 1CDR4341
+ATOM 4125 2HB PHE 23 -1.575 -7.656 -2.908 1.00 0.00 1CDR4342
+ATOM 4126 HD1 PHE 23 -4.283 -7.057 -2.604 1.00 0.00 1CDR4343
+ATOM 4127 HD2 PHE 23 -1.655 -8.763 0.334 1.00 0.00 1CDR4344
+ATOM 4128 HE1 PHE 23 -5.747 -6.198 -0.796 1.00 0.00 1CDR4345
+ATOM 4129 HE2 PHE 23 -3.119 -7.905 2.143 1.00 0.00 1CDR4346
+ATOM 4130 HZ PHE 23 -5.166 -6.622 1.577 1.00 0.00 1CDR4347
+ATOM 4131 N ASP 24 -2.491 -9.535 -5.692 1.00 0.00 1CDR4348
+ATOM 4132 CA ASP 24 -1.716 -9.872 -6.919 1.00 0.00 1CDR4349
+ATOM 4133 C ASP 24 -1.558 -8.627 -7.794 1.00 0.00 1CDR4350
+ATOM 4134 O ASP 24 -0.804 -8.621 -8.747 1.00 0.00 1CDR4351
+ATOM 4135 CB ASP 24 -2.455 -10.956 -7.705 1.00 0.00 1CDR4352
+ATOM 4136 CG ASP 24 -3.960 -10.688 -7.655 1.00 0.00 1CDR4353
+ATOM 4137 OD1 ASP 24 -4.590 -11.133 -6.709 1.00 0.00 1CDR4354
+ATOM 4138 OD2 ASP 24 -4.458 -10.043 -8.563 1.00 0.00 1CDR4355
+ATOM 4139 H ASP 24 -3.396 -9.168 -5.768 1.00 0.00 1CDR4356
+ATOM 4140 HA ASP 24 -0.740 -10.237 -6.636 1.00 0.00 1CDR4357
+ATOM 4141 1HB ASP 24 -2.121 -10.946 -8.733 1.00 0.00 1CDR4358
+ATOM 4142 2HB ASP 24 -2.248 -11.921 -7.269 1.00 0.00 1CDR4359
+ATOM 4143 N ALA 25 -2.259 -7.570 -7.485 1.00 0.00 1CDR4360
+ATOM 4144 CA ALA 25 -2.137 -6.336 -8.310 1.00 0.00 1CDR4361
+ATOM 4145 C ALA 25 -1.544 -5.209 -7.463 1.00 0.00 1CDR4362
+ATOM 4146 O ALA 25 -2.225 -4.592 -6.670 1.00 0.00 1CDR4363
+ATOM 4147 CB ALA 25 -3.521 -5.917 -8.815 1.00 0.00 1CDR4364
+ATOM 4148 H ALA 25 -2.864 -7.587 -6.713 1.00 0.00 1CDR4365
+ATOM 4149 HA ALA 25 -1.491 -6.530 -9.153 1.00 0.00 1CDR4366
+ATOM 4150 1HB ALA 25 -4.261 -6.139 -8.062 1.00 0.00 1CDR4367
+ATOM 4151 2HB ALA 25 -3.524 -4.857 -9.022 1.00 0.00 1CDR4368
+ATOM 4152 3HB ALA 25 -3.754 -6.460 -9.720 1.00 0.00 1CDR4369
+ATOM 4153 N CYS 26 -0.281 -4.924 -7.634 1.00 0.00 1CDR4370
+ATOM 4154 CA CYS 26 0.340 -3.826 -6.845 1.00 0.00 1CDR4371
+ATOM 4155 C CYS 26 -0.417 -2.540 -7.136 1.00 0.00 1CDR4372
+ATOM 4156 O CYS 26 -1.095 -2.429 -8.136 1.00 0.00 1CDR4373
+ATOM 4157 CB CYS 26 1.807 -3.668 -7.251 1.00 0.00 1CDR4374
+ATOM 4158 SG CYS 26 2.788 -3.210 -5.800 1.00 0.00 1CDR4375
+ATOM 4159 H CYS 26 0.252 -5.423 -8.288 1.00 0.00 1CDR4376
+ATOM 4160 HA CYS 26 0.274 -4.049 -5.790 1.00 0.00 1CDR4377
+ATOM 4161 1HB CYS 26 2.172 -4.602 -7.652 1.00 0.00 1CDR4378
+ATOM 4162 2HB CYS 26 1.892 -2.896 -8.001 1.00 0.00 1CDR4379
+ATOM 4163 N LEU 27 -0.333 -1.575 -6.271 1.00 0.00 1CDR4380
+ATOM 4164 CA LEU 27 -1.080 -0.313 -6.517 1.00 0.00 1CDR4381
+ATOM 4165 C LEU 27 -0.165 0.901 -6.364 1.00 0.00 1CDR4382
+ATOM 4166 O LEU 27 0.584 1.019 -5.414 1.00 0.00 1CDR4383
+ATOM 4167 CB LEU 27 -2.229 -0.210 -5.521 1.00 0.00 1CDR4384
+ATOM 4168 CG LEU 27 -2.970 1.109 -5.729 1.00 0.00 1CDR4385
+ATOM 4169 CD1 LEU 27 -4.155 0.882 -6.670 1.00 0.00 1CDR4386
+ATOM 4170 CD2 LEU 27 -3.477 1.619 -4.379 1.00 0.00 1CDR4387
+ATOM 4171 H LEU 27 0.204 -1.687 -5.457 1.00 0.00 1CDR4388
+ATOM 4172 HA LEU 27 -1.482 -0.329 -7.519 1.00 0.00 1CDR4389
+ATOM 4173 1HB LEU 27 -2.909 -1.032 -5.676 1.00 0.00 1CDR4390
+ATOM 4174 2HB LEU 27 -1.839 -0.246 -4.515 1.00 0.00 1CDR4391
+ATOM 4175 HG LEU 27 -2.299 1.836 -6.164 1.00 0.00 1CDR4392
+ATOM 4176 1HD1 LEU 27 -3.829 0.306 -7.525 1.00 0.00 1CDR4393
+ATOM 4177 2HD1 LEU 27 -4.930 0.343 -6.148 1.00 0.00 1CDR4394
+ATOM 4178 3HD1 LEU 27 -4.538 1.834 -7.003 1.00 0.00 1CDR4395
+ATOM 4179 1HD2 LEU 27 -3.340 0.853 -3.630 1.00 0.00 1CDR4396
+ATOM 4180 2HD2 LEU 27 -2.919 2.500 -4.096 1.00 0.00 1CDR4397
+ATOM 4181 3HD2 LEU 27 -4.525 1.864 -4.456 1.00 0.00 1CDR4398
+ATOM 4182 N ILE 28 -0.244 1.815 -7.291 1.00 0.00 1CDR4399
+ATOM 4183 CA ILE 28 0.590 3.045 -7.215 1.00 0.00 1CDR4400
+ATOM 4184 C ILE 28 -0.322 4.255 -7.418 1.00 0.00 1CDR4401
+ATOM 4185 O ILE 28 -0.581 4.671 -8.530 1.00 0.00 1CDR4402
+ATOM 4186 CB ILE 28 1.661 3.015 -8.306 1.00 0.00 1CDR4403
+ATOM 4187 CG1 ILE 28 2.445 4.329 -8.283 1.00 0.00 1CDR4404
+ATOM 4188 CG2 ILE 28 0.997 2.843 -9.673 1.00 0.00 1CDR4405
+ATOM 4189 CD1 ILE 28 3.563 4.276 -9.326 1.00 0.00 1CDR4406
+ATOM 4190 H ILE 28 -0.869 1.697 -8.035 1.00 0.00 1CDR4407
+ATOM 4191 HA ILE 28 1.059 3.105 -6.244 1.00 0.00 1CDR4408
+ATOM 4192 HB ILE 28 2.333 2.189 -8.127 1.00 0.00 1CDR4409
+ATOM 4193 1HG1 ILE 28 1.779 5.150 -8.507 1.00 0.00 1CDR4410
+ATOM 4194 2HG1 ILE 28 2.877 4.473 -7.304 1.00 0.00 1CDR4411
+ATOM 4195 1HG2 ILE 28 -0.075 2.868 -9.558 1.00 0.00 1CDR4412
+ATOM 4196 2HG2 ILE 28 1.309 3.644 -10.328 1.00 0.00 1CDR4413
+ATOM 4197 3HG2 ILE 28 1.292 1.895 -10.099 1.00 0.00 1CDR4414
+ATOM 4198 1HD1 ILE 28 3.215 3.742 -10.198 1.00 0.00 1CDR4415
+ATOM 4199 2HD1 ILE 28 3.841 5.282 -9.607 1.00 0.00 1CDR4416
+ATOM 4200 3HD1 ILE 28 4.420 3.769 -8.911 1.00 0.00 1CDR4417
+ATOM 4201 N THR 29 -0.825 4.811 -6.350 1.00 0.00 1CDR4418
+ATOM 4202 CA THR 29 -1.736 5.981 -6.477 1.00 0.00 1CDR4419
+ATOM 4203 C THR 29 -0.954 7.277 -6.241 1.00 0.00 1CDR4420
+ATOM 4204 O THR 29 0.002 7.312 -5.491 1.00 0.00 1CDR4421
+ATOM 4205 CB THR 29 -2.858 5.854 -5.440 1.00 0.00 1CDR4422
+ATOM 4206 OG1 THR 29 -3.804 4.894 -5.889 1.00 0.00 1CDR4423
+ATOM 4207 CG2 THR 29 -3.552 7.203 -5.247 1.00 0.00 1CDR4424
+ATOM 4208 H THR 29 -0.613 4.449 -5.465 1.00 0.00 1CDR4425
+ATOM 4209 HA THR 29 -2.165 5.997 -7.468 1.00 0.00 1CDR4426
+ATOM 4210 HB THR 29 -2.440 5.531 -4.499 1.00 0.00 1CDR4427
+ATOM 4211 HG1 THR 29 -4.394 4.692 -5.158 1.00 0.00 1CDR4428
+ATOM 4212 1HG2 THR 29 -3.932 7.550 -6.195 1.00 0.00 1CDR4429
+ATOM 4213 2HG2 THR 29 -4.369 7.092 -4.549 1.00 0.00 1CDR4430
+ATOM 4214 3HG2 THR 29 -2.843 7.920 -4.860 1.00 0.00 1CDR4431
+ATOM 4215 N LYS 30 -1.360 8.343 -6.877 1.00 0.00 1CDR4432
+ATOM 4216 CA LYS 30 -0.650 9.639 -6.694 1.00 0.00 1CDR4433
+ATOM 4217 C LYS 30 -1.680 10.762 -6.560 1.00 0.00 1CDR4434
+ATOM 4218 O LYS 30 -2.037 11.411 -7.522 1.00 0.00 1CDR4435
+ATOM 4219 CB LYS 30 0.244 9.910 -7.906 1.00 0.00 1CDR4436
+ATOM 4220 CG LYS 30 1.456 10.736 -7.473 1.00 0.00 1CDR4437
+ATOM 4221 CD LYS 30 1.978 11.543 -8.664 1.00 0.00 1CDR4438
+ATOM 4222 CE LYS 30 2.831 10.642 -9.557 1.00 0.00 1CDR4439
+ATOM 4223 NZ LYS 30 3.096 11.333 -10.851 1.00 0.00 1CDR4440
+ATOM 4224 H LYS 30 -2.135 8.289 -7.474 1.00 0.00 1CDR4441
+ATOM 4225 HA LYS 30 -0.047 9.598 -5.800 1.00 0.00 1CDR4442
+ATOM 4226 1HB LYS 30 0.578 8.969 -8.322 1.00 0.00 1CDR4443
+ATOM 4227 2HB LYS 30 -0.314 10.455 -8.652 1.00 0.00 1CDR4444
+ATOM 4228 1HG LYS 30 1.168 11.410 -6.680 1.00 0.00 1CDR4445
+ATOM 4229 2HG LYS 30 2.235 10.076 -7.121 1.00 0.00 1CDR4446
+ATOM 4230 1HD LYS 30 1.142 11.929 -9.232 1.00 0.00 1CDR4447
+ATOM 4231 2HD LYS 30 2.579 12.366 -8.307 1.00 0.00 1CDR4448
+ATOM 4232 1HE LYS 30 3.768 10.429 -9.064 1.00 0.00 1CDR4449
+ATOM 4233 2HE LYS 30 2.304 9.719 -9.744 1.00 0.00 1CDR4450
+ATOM 4234 1HZ LYS 30 2.264 11.898 -11.118 1.00 0.00 1CDR4451
+ATOM 4235 2HZ LYS 30 3.921 11.956 -10.748 1.00 0.00 1CDR4452
+ATOM 4236 3HZ LYS 30 3.288 10.627 -11.589 1.00 0.00 1CDR4453
+ATOM 4237 N ALA 31 -2.162 10.991 -5.371 1.00 0.00 1CDR4454
+ATOM 4238 CA ALA 31 -3.169 12.069 -5.172 1.00 0.00 1CDR4455
+ATOM 4239 C ALA 31 -2.528 13.229 -4.410 1.00 0.00 1CDR4456
+ATOM 4240 O ALA 31 -2.555 13.279 -3.197 1.00 0.00 1CDR4457
+ATOM 4241 CB ALA 31 -4.351 11.520 -4.369 1.00 0.00 1CDR4458
+ATOM 4242 H ALA 31 -1.859 10.454 -4.609 1.00 0.00 1CDR4459
+ATOM 4243 HA ALA 31 -3.520 12.418 -6.132 1.00 0.00 1CDR4460
+ATOM 4244 1HB ALA 31 -4.462 10.465 -4.571 1.00 0.00 1CDR4461
+ATOM 4245 2HB ALA 31 -4.169 11.667 -3.315 1.00 0.00 1CDR4462
+ATOM 4246 3HB ALA 31 -5.253 12.039 -4.656 1.00 0.00 1CDR4463
+ATOM 4247 N GLY 32 -1.947 14.162 -5.114 1.00 0.00 1CDR4464
+ATOM 4248 CA GLY 32 -1.299 15.316 -4.433 1.00 0.00 1CDR4465
+ATOM 4249 C GLY 32 0.212 15.246 -4.652 1.00 0.00 1CDR4466
+ATOM 4250 O GLY 32 0.679 14.980 -5.741 1.00 0.00 1CDR4467
+ATOM 4251 H GLY 32 -1.935 14.100 -6.092 1.00 0.00 1CDR4468
+ATOM 4252 1HA GLY 32 -1.682 16.240 -4.844 1.00 0.00 1CDR4469
+ATOM 4253 2HA GLY 32 -1.508 15.275 -3.375 1.00 0.00 1CDR4470
+ATOM 4254 N LEU 33 0.983 15.475 -3.626 1.00 0.00 1CDR4471
+ATOM 4255 CA LEU 33 2.464 15.413 -3.780 1.00 0.00 1CDR4472
+ATOM 4256 C LEU 33 2.990 14.143 -3.108 1.00 0.00 1CDR4473
+ATOM 4257 O LEU 33 4.182 13.918 -3.033 1.00 0.00 1CDR4474
+ATOM 4258 CB LEU 33 3.099 16.641 -3.126 1.00 0.00 1CDR4475
+ATOM 4259 CG LEU 33 4.342 17.052 -3.917 1.00 0.00 1CDR4476
+ATOM 4260 CD1 LEU 33 4.335 18.568 -4.129 1.00 0.00 1CDR4477
+ATOM 4261 CD2 LEU 33 5.597 16.653 -3.138 1.00 0.00 1CDR4478
+ATOM 4262 H LEU 33 0.589 15.684 -2.753 1.00 0.00 1CDR4479
+ATOM 4263 HA LEU 33 2.714 15.394 -4.830 1.00 0.00 1CDR4480
+ATOM 4264 1HB LEU 33 2.389 17.455 -3.121 1.00 0.00 1CDR4481
+ATOM 4265 2HB LEU 33 3.383 16.403 -2.112 1.00 0.00 1CDR4482
+ATOM 4266 HG LEU 33 4.338 16.556 -4.876 1.00 0.00 1CDR4483
+ATOM 4267 1HD1 LEU 33 4.158 19.062 -3.186 1.00 0.00 1CDR4484
+ATOM 4268 2HD1 LEU 33 5.289 18.879 -4.526 1.00 0.00 1CDR4485
+ATOM 4269 3HD1 LEU 33 3.552 18.829 -4.825 1.00 0.00 1CDR4486
+ATOM 4270 1HD2 LEU 33 5.370 15.818 -2.493 1.00 0.00 1CDR4487
+ATOM 4271 2HD2 LEU 33 6.376 16.370 -3.832 1.00 0.00 1CDR4488
+ATOM 4272 3HD2 LEU 33 5.933 17.489 -2.543 1.00 0.00 1CDR4489
+ATOM 4273 N GLN 34 2.112 13.311 -2.617 1.00 0.00 1CDR4490
+ATOM 4274 CA GLN 34 2.563 12.057 -1.952 1.00 0.00 1CDR4491
+ATOM 4275 C GLN 34 2.098 10.853 -2.773 1.00 0.00 1CDR4492
+ATOM 4276 O GLN 34 1.407 10.993 -3.763 1.00 0.00 1CDR4493
+ATOM 4277 CB GLN 34 1.960 11.981 -0.550 1.00 0.00 1CDR4494
+ATOM 4278 CG GLN 34 0.445 12.178 -0.636 1.00 0.00 1CDR4495
+ATOM 4279 CD GLN 34 0.047 13.430 0.147 1.00 0.00 1CDR4496
+ATOM 4280 OE1 GLN 34 -0.686 13.349 1.113 1.00 0.00 1CDR4497
+ATOM 4281 NE2 GLN 34 0.501 14.594 -0.232 1.00 0.00 1CDR4498
+ATOM 4282 H GLN 34 1.155 13.509 -2.688 1.00 0.00 1CDR4499
+ATOM 4283 HA GLN 34 3.641 12.053 -1.884 1.00 0.00 1CDR4500
+ATOM 4284 1HB GLN 34 2.175 11.015 -0.117 1.00 0.00 1CDR4501
+ATOM 4285 2HB GLN 34 2.387 12.756 0.069 1.00 0.00 1CDR4502
+ATOM 4286 1HG GLN 34 0.155 12.291 -1.671 1.00 0.00 1CDR4503
+ATOM 4287 2HG GLN 34 -0.055 11.318 -0.214 1.00 0.00 1CDR4504
+ATOM 4288 1HE2 GLN 34 0.251 15.402 0.263 1.00 0.00 1CDR4505
+ATOM 4289 2HE2 GLN 34 1.091 14.659 -1.011 1.00 0.00 1CDR4506
+ATOM 4290 N VAL 35 2.469 9.670 -2.369 1.00 0.00 1CDR4507
+ATOM 4291 CA VAL 35 2.045 8.459 -3.127 1.00 0.00 1CDR4508
+ATOM 4292 C VAL 35 1.515 7.409 -2.151 1.00 0.00 1CDR4509
+ATOM 4293 O VAL 35 1.956 7.315 -1.024 1.00 0.00 1CDR4510
+ATOM 4294 CB VAL 35 3.241 7.886 -3.889 1.00 0.00 1CDR4511
+ATOM 4295 CG1 VAL 35 2.853 6.545 -4.512 1.00 0.00 1CDR4512
+ATOM 4296 CG2 VAL 35 3.656 8.861 -4.994 1.00 0.00 1CDR4513
+ATOM 4297 H VAL 35 3.025 9.576 -1.567 1.00 0.00 1CDR4514
+ATOM 4298 HA VAL 35 1.267 8.727 -3.827 1.00 0.00 1CDR4515
+ATOM 4299 HB VAL 35 4.065 7.740 -3.206 1.00 0.00 1CDR4516
+ATOM 4300 1HG1 VAL 35 1.787 6.526 -4.690 1.00 0.00 1CDR4517
+ATOM 4301 2HG1 VAL 35 3.376 6.416 -5.447 1.00 0.00 1CDR4518
+ATOM 4302 3HG1 VAL 35 3.118 5.743 -3.837 1.00 0.00 1CDR4519
+ATOM 4303 1HG2 VAL 35 3.215 9.828 -4.804 1.00 0.00 1CDR4520
+ATOM 4304 2HG2 VAL 35 4.731 8.951 -5.010 1.00 0.00 1CDR4521
+ATOM 4305 3HG2 VAL 35 3.312 8.491 -5.948 1.00 0.00 1CDR4522
+ATOM 4306 N TYR 36 0.569 6.618 -2.575 1.00 0.00 1CDR4523
+ATOM 4307 CA TYR 36 0.012 5.574 -1.671 1.00 0.00 1CDR4524
+ATOM 4308 C TYR 36 0.509 4.198 -2.117 1.00 0.00 1CDR4525
+ATOM 4309 O TYR 36 -0.143 3.503 -2.869 1.00 0.00 1CDR4526
+ATOM 4310 CB TYR 36 -1.517 5.613 -1.731 1.00 0.00 1CDR4527
+ATOM 4311 CG TYR 36 -2.023 6.770 -0.905 1.00 0.00 1CDR4528
+ATOM 4312 CD1 TYR 36 -2.009 8.066 -1.435 1.00 0.00 1CDR4529
+ATOM 4313 CD2 TYR 36 -2.504 6.549 0.390 1.00 0.00 1CDR4530
+ATOM 4314 CE1 TYR 36 -2.477 9.140 -0.669 1.00 0.00 1CDR4531
+ATOM 4315 CE2 TYR 36 -2.972 7.623 1.157 1.00 0.00 1CDR4532
+ATOM 4316 CZ TYR 36 -2.959 8.918 0.627 1.00 0.00 1CDR4533
+ATOM 4317 OH TYR 36 -3.420 9.977 1.382 1.00 0.00 1CDR4534
+ATOM 4318 H TYR 36 0.225 6.708 -3.489 1.00 0.00 1CDR4535
+ATOM 4319 HA TYR 36 0.339 5.763 -0.659 1.00 0.00 1CDR4536
+ATOM 4320 1HB TYR 36 -1.834 5.737 -2.755 1.00 0.00 1CDR4537
+ATOM 4321 2HB TYR 36 -1.917 4.690 -1.339 1.00 0.00 1CDR4538
+ATOM 4322 HD1 TYR 36 -1.637 8.237 -2.434 1.00 0.00 1CDR4539
+ATOM 4323 HD2 TYR 36 -2.515 5.549 0.799 1.00 0.00 1CDR4540
+ATOM 4324 HE1 TYR 36 -2.467 10.140 -1.079 1.00 0.00 1CDR4541
+ATOM 4325 HE2 TYR 36 -3.344 7.453 2.155 1.00 0.00 1CDR4542
+ATOM 4326 HH TYR 36 -3.390 9.718 2.306 1.00 0.00 1CDR4543
+ATOM 4327 N ASN 37 1.663 3.802 -1.656 1.00 0.00 1CDR4544
+ATOM 4328 CA ASN 37 2.207 2.472 -2.051 1.00 0.00 1CDR4545
+ATOM 4329 C ASN 37 1.518 1.377 -1.234 1.00 0.00 1CDR4546
+ATOM 4330 O ASN 37 1.739 1.242 -0.048 1.00 0.00 1CDR4547
+ATOM 4331 CB ASN 37 3.713 2.439 -1.781 1.00 0.00 1CDR4548
+ATOM 4332 CG ASN 37 4.399 3.548 -2.583 1.00 0.00 1CDR4549
+ATOM 4333 OD1 ASN 37 4.690 3.376 -3.750 1.00 0.00 1CDR4550
+ATOM 4334 ND2 ASN 37 4.671 4.684 -2.002 1.00 0.00 1CDR4551
+ATOM 4335 H ASN 37 2.172 4.380 -1.050 1.00 0.00 1CDR4552
+ATOM 4336 HA ASN 37 2.026 2.306 -3.102 1.00 0.00 1CDR4553
+ATOM 4337 1HB ASN 37 3.893 2.592 -0.726 1.00 0.00 1CDR4554
+ATOM 4338 2HB ASN 37 4.111 1.482 -2.080 1.00 0.00 1CDR4555
+ATOM 4339 1HD2 ASN 37 5.109 5.400 -2.509 1.00 0.00 1CDR4556
+ATOM 4340 2HD2 ASN 37 4.437 4.823 -1.061 1.00 0.00 1CDR4557
+ATOM 4341 N LYS 38 0.681 0.594 -1.860 1.00 0.00 1CDR4558
+ATOM 4342 CA LYS 38 -0.022 -0.488 -1.115 1.00 0.00 1CDR4559
+ATOM 4343 C LYS 38 -0.434 -1.600 -2.080 1.00 0.00 1CDR4560
+ATOM 4344 O LYS 38 -0.556 -1.397 -3.273 1.00 0.00 1CDR4561
+ATOM 4345 CB LYS 38 -1.270 0.085 -0.439 1.00 0.00 1CDR4562
+ATOM 4346 CG LYS 38 -0.946 0.439 1.013 1.00 0.00 1CDR4563
+ATOM 4347 CD LYS 38 -2.245 0.651 1.794 1.00 0.00 1CDR4564
+ATOM 4348 CE LYS 38 -2.516 2.150 1.931 1.00 0.00 1CDR4565
+ATOM 4349 NZ LYS 38 -3.638 2.369 2.886 1.00 0.00 1CDR4566
+ATOM 4350 H LYS 38 0.514 0.719 -2.817 1.00 0.00 1CDR4567
+ATOM 4351 HA LYS 38 0.637 -0.896 -0.362 1.00 0.00 1CDR4568
+ATOM 4352 1HB LYS 38 -1.587 0.975 -0.965 1.00 0.00 1CDR4569
+ATOM 4353 2HB LYS 38 -2.062 -0.648 -0.460 1.00 0.00 1CDR4570
+ATOM 4354 1HG LYS 38 -0.384 -0.366 1.462 1.00 0.00 1CDR4571
+ATOM 4355 2HG LYS 38 -0.362 1.346 1.040 1.00 0.00 1CDR4572
+ATOM 4356 1HD LYS 38 -3.064 0.182 1.266 1.00 0.00 1CDR4573
+ATOM 4357 2HD LYS 38 -2.150 0.213 2.776 1.00 0.00 1CDR4574
+ATOM 4358 1HE LYS 38 -1.628 2.644 2.300 1.00 0.00 1CDR4575
+ATOM 4359 2HE LYS 38 -2.779 2.559 0.966 1.00 0.00 1CDR4576
+ATOM 4360 1HZ LYS 38 -3.551 1.706 3.682 1.00 0.00 1CDR4577
+ATOM 4361 2HZ LYS 38 -3.604 3.346 3.242 1.00 0.00 1CDR4578
+ATOM 4362 3HZ LYS 38 -4.543 2.208 2.400 1.00 0.00 1CDR4579
+ATOM 4363 N CYS 39 -0.655 -2.776 -1.562 1.00 0.00 1CDR4580
+ATOM 4364 CA CYS 39 -1.070 -3.913 -2.430 1.00 0.00 1CDR4581
+ATOM 4365 C CYS 39 -2.564 -3.783 -2.725 1.00 0.00 1CDR4582
+ATOM 4366 O CYS 39 -3.328 -3.340 -1.891 1.00 0.00 1CDR4583
+ATOM 4367 CB CYS 39 -0.810 -5.235 -1.702 1.00 0.00 1CDR4584
+ATOM 4368 SG CYS 39 0.483 -6.160 -2.567 1.00 0.00 1CDR4585
+ATOM 4369 H CYS 39 -0.555 -2.908 -0.598 1.00 0.00 1CDR4586
+ATOM 4370 HA CYS 39 -0.513 -3.890 -3.355 1.00 0.00 1CDR4587
+ATOM 4371 1HB CYS 39 -0.490 -5.031 -0.692 1.00 0.00 1CDR4588
+ATOM 4372 2HB CYS 39 -1.719 -5.818 -1.681 1.00 0.00 1CDR4589
+ATOM 4373 N TRP 40 -2.992 -4.146 -3.902 1.00 0.00 1CDR4590
+ATOM 4374 CA TRP 40 -4.433 -4.017 -4.225 1.00 0.00 1CDR4591
+ATOM 4375 C TRP 40 -4.856 -5.139 -5.177 1.00 0.00 1CDR4592
+ATOM 4376 O TRP 40 -4.036 -5.784 -5.802 1.00 0.00 1CDR4593
+ATOM 4377 CB TRP 40 -4.657 -2.661 -4.885 1.00 0.00 1CDR4594
+ATOM 4378 CG TRP 40 -6.034 -2.182 -4.591 1.00 0.00 1CDR4595
+ATOM 4379 CD1 TRP 40 -7.146 -2.591 -5.234 1.00 0.00 1CDR4596
+ATOM 4380 CD2 TRP 40 -6.463 -1.213 -3.594 1.00 0.00 1CDR4597
+ATOM 4381 NE1 TRP 40 -8.238 -1.927 -4.700 1.00 0.00 1CDR4598
+ATOM 4382 CE2 TRP 40 -7.866 -1.066 -3.684 1.00 0.00 1CDR4599
+ATOM 4383 CE3 TRP 40 -5.775 -0.453 -2.632 1.00 0.00 1CDR4600
+ATOM 4384 CZ2 TRP 40 -8.563 -0.194 -2.847 1.00 0.00 1CDR4601
+ATOM 4385 CZ3 TRP 40 -6.471 0.425 -1.786 1.00 0.00 1CDR4602
+ATOM 4386 CH2 TRP 40 -7.865 0.555 -1.894 1.00 0.00 1CDR4603
+ATOM 4387 H TRP 40 -2.370 -4.489 -4.573 1.00 0.00 1CDR4604
+ATOM 4388 HA TRP 40 -5.013 -4.075 -3.317 1.00 0.00 1CDR4605
+ATOM 4389 1HB TRP 40 -3.943 -1.954 -4.494 1.00 0.00 1CDR4606
+ATOM 4390 2HB TRP 40 -4.526 -2.753 -5.954 1.00 0.00 1CDR4607
+ATOM 4391 HD1 TRP 40 -7.173 -3.317 -6.033 1.00 0.00 1CDR4608
+ATOM 4392 HE1 TRP 40 -9.167 -2.041 -4.991 1.00 0.00 1CDR4609
+ATOM 4393 HE3 TRP 40 -4.702 -0.546 -2.542 1.00 0.00 1CDR4610
+ATOM 4394 HZ2 TRP 40 -9.636 -0.095 -2.935 1.00 0.00 1CDR4611
+ATOM 4395 HZ3 TRP 40 -5.931 1.002 -1.049 1.00 0.00 1CDR4612
+ATOM 4396 HH2 TRP 40 -8.397 1.231 -1.242 1.00 0.00 1CDR4613
+ATOM 4397 N LYS 41 -6.134 -5.381 -5.285 1.00 0.00 1CDR4614
+ATOM 4398 CA LYS 41 -6.618 -6.462 -6.189 1.00 0.00 1CDR4615
+ATOM 4399 C LYS 41 -6.823 -5.899 -7.596 1.00 0.00 1CDR4616
+ATOM 4400 O LYS 41 -7.039 -4.717 -7.778 1.00 0.00 1CDR4617
+ATOM 4401 CB LYS 41 -7.945 -7.009 -5.657 1.00 0.00 1CDR4618
+ATOM 4402 CG LYS 41 -7.833 -7.245 -4.149 1.00 0.00 1CDR4619
+ATOM 4403 CD LYS 41 -8.634 -8.491 -3.764 1.00 0.00 1CDR4620
+ATOM 4404 CE LYS 41 -7.713 -9.496 -3.069 1.00 0.00 1CDR4621
+ATOM 4405 NZ LYS 41 -8.157 -10.882 -3.392 1.00 0.00 1CDR4622
+ATOM 4406 H LYS 41 -6.777 -4.853 -4.769 1.00 0.00 1CDR4623
+ATOM 4407 HA LYS 41 -5.887 -7.257 -6.221 1.00 0.00 1CDR4624
+ATOM 4408 1HB LYS 41 -8.732 -6.295 -5.854 1.00 0.00 1CDR4625
+ATOM 4409 2HB LYS 41 -8.174 -7.941 -6.149 1.00 0.00 1CDR4626
+ATOM 4410 1HG LYS 41 -6.795 -7.387 -3.885 1.00 0.00 1CDR4627
+ATOM 4411 2HG LYS 41 -8.225 -6.390 -3.620 1.00 0.00 1CDR4628
+ATOM 4412 1HD LYS 41 -9.434 -8.211 -3.093 1.00 0.00 1CDR4629
+ATOM 4413 2HD LYS 41 -9.049 -8.941 -4.652 1.00 0.00 1CDR4630
+ATOM 4414 1HE LYS 41 -6.699 -9.354 -3.413 1.00 0.00 1CDR4631
+ATOM 4415 2HE LYS 41 -7.756 -9.345 -2.001 1.00 0.00 1CDR4632
+ATOM 4416 1HZ LYS 41 -9.177 -10.883 -3.589 1.00 0.00 1CDR4633
+ATOM 4417 2HZ LYS 41 -7.645 -11.224 -4.229 1.00 0.00 1CDR4634
+ATOM 4418 3HZ LYS 41 -7.957 -11.507 -2.584 1.00 0.00 1CDR4635
+ATOM 4419 N PHE 42 -6.765 -6.738 -8.595 1.00 0.00 1CDR4636
+ATOM 4420 CA PHE 42 -6.962 -6.254 -9.990 1.00 0.00 1CDR4637
+ATOM 4421 C PHE 42 -8.455 -6.069 -10.243 1.00 0.00 1CDR4638
+ATOM 4422 O PHE 42 -8.866 -5.286 -11.077 1.00 0.00 1CDR4639
+ATOM 4423 CB PHE 42 -6.401 -7.285 -10.971 1.00 0.00 1CDR4640
+ATOM 4424 CG PHE 42 -5.411 -6.618 -11.896 1.00 0.00 1CDR4641
+ATOM 4425 CD1 PHE 42 -5.736 -5.404 -12.513 1.00 0.00 1CDR4642
+ATOM 4426 CD2 PHE 42 -4.166 -7.213 -12.136 1.00 0.00 1CDR4643
+ATOM 4427 CE1 PHE 42 -4.818 -4.786 -13.371 1.00 0.00 1CDR4644
+ATOM 4428 CE2 PHE 42 -3.248 -6.595 -12.993 1.00 0.00 1CDR4645
+ATOM 4429 CZ PHE 42 -3.573 -5.382 -13.611 1.00 0.00 1CDR4646
+ATOM 4430 H PHE 42 -6.598 -7.686 -8.428 1.00 0.00 1CDR4647
+ATOM 4431 HA PHE 42 -6.452 -5.311 -10.123 1.00 0.00 1CDR4648
+ATOM 4432 1HB PHE 42 -5.906 -8.071 -10.421 1.00 0.00 1CDR4649
+ATOM 4433 2HB PHE 42 -7.208 -7.706 -11.552 1.00 0.00 1CDR4650
+ATOM 4434 HD1 PHE 42 -6.696 -4.945 -12.329 1.00 0.00 1CDR4651
+ATOM 4435 HD2 PHE 42 -3.914 -8.149 -11.659 1.00 0.00 1CDR4652
+ATOM 4436 HE1 PHE 42 -5.069 -3.850 -13.846 1.00 0.00 1CDR4653
+ATOM 4437 HE2 PHE 42 -2.287 -7.055 -13.178 1.00 0.00 1CDR4654
+ATOM 4438 HZ PHE 42 -2.865 -4.906 -14.272 1.00 0.00 1CDR4655
+ATOM 4439 N GLU 43 -9.272 -6.784 -9.522 1.00 0.00 1CDR4656
+ATOM 4440 CA GLU 43 -10.741 -6.652 -9.711 1.00 0.00 1CDR4657
+ATOM 4441 C GLU 43 -11.208 -5.334 -9.095 1.00 0.00 1CDR4658
+ATOM 4442 O GLU 43 -12.183 -4.747 -9.522 1.00 0.00 1CDR4659
+ATOM 4443 CB GLU 43 -11.454 -7.822 -9.027 1.00 0.00 1CDR4660
+ATOM 4444 CG GLU 43 -10.807 -8.089 -7.666 1.00 0.00 1CDR4661
+ATOM 4445 CD GLU 43 -11.745 -8.942 -6.813 1.00 0.00 1CDR4662
+ATOM 4446 OE1 GLU 43 -12.868 -9.160 -7.238 1.00 0.00 1CDR4663
+ATOM 4447 OE2 GLU 43 -11.326 -9.365 -5.748 1.00 0.00 1CDR4664
+ATOM 4448 H GLU 43 -8.916 -7.407 -8.854 1.00 0.00 1CDR4665
+ATOM 4449 HA GLU 43 -10.965 -6.657 -10.764 1.00 0.00 1CDR4666
+ATOM 4450 1HB GLU 43 -12.497 -7.575 -8.890 1.00 0.00 1CDR4667
+ATOM 4451 2HB GLU 43 -11.370 -8.704 -9.644 1.00 0.00 1CDR4668
+ATOM 4452 1HG GLU 43 -9.873 -8.614 -7.809 1.00 0.00 1CDR4669
+ATOM 4453 2HG GLU 43 -10.620 -7.151 -7.166 1.00 0.00 1CDR4670
+ATOM 4454 N HIS 44 -10.512 -4.860 -8.099 1.00 0.00 1CDR4671
+ATOM 4455 CA HIS 44 -10.905 -3.576 -7.460 1.00 0.00 1CDR4672
+ATOM 4456 C HIS 44 -10.010 -2.458 -7.995 1.00 0.00 1CDR4673
+ATOM 4457 O HIS 44 -9.862 -1.418 -7.386 1.00 0.00 1CDR4674
+ATOM 4458 CB HIS 44 -10.742 -3.688 -5.942 1.00 0.00 1CDR4675
+ATOM 4459 CG HIS 44 -11.631 -4.787 -5.425 1.00 0.00 1CDR4676
+ATOM 4460 ND1 HIS 44 -11.750 -5.066 -4.072 1.00 0.00 1CDR4677
+ATOM 4461 CD2 HIS 44 -12.453 -5.680 -6.065 1.00 0.00 1CDR4678
+ATOM 4462 CE1 HIS 44 -12.616 -6.089 -3.944 1.00 0.00 1CDR4679
+ATOM 4463 NE2 HIS 44 -13.075 -6.501 -5.129 1.00 0.00 1CDR4680
+ATOM 4464 H HIS 44 -9.726 -5.348 -7.777 1.00 0.00 1CDR4681
+ATOM 4465 HA HIS 44 -11.934 -3.355 -7.697 1.00 0.00 1CDR4682
+ATOM 4466 1HB HIS 44 -9.713 -3.916 -5.706 1.00 0.00 1CDR4683
+ATOM 4467 2HB HIS 44 -11.020 -2.754 -5.479 1.00 0.00 1CDR4684
+ATOM 4468 HD1 HIS 44 -11.286 -4.607 -3.342 1.00 0.00 1CDR4685
+ATOM 4469 HD2 HIS 44 -12.596 -5.737 -7.134 1.00 0.00 1CDR4686
+ATOM 4470 HE1 HIS 44 -12.907 -6.521 -2.999 1.00 0.00 1CDR4687
+ATOM 4471 N CYS 45 -9.409 -2.671 -9.135 1.00 0.00 1CDR4688
+ATOM 4472 CA CYS 45 -8.520 -1.629 -9.721 1.00 0.00 1CDR4689
+ATOM 4473 C CYS 45 -9.305 -0.808 -10.746 1.00 0.00 1CDR4690
+ATOM 4474 O CYS 45 -9.117 -0.948 -11.939 1.00 0.00 1CDR4691
+ATOM 4475 CB CYS 45 -7.334 -2.303 -10.416 1.00 0.00 1CDR4692
+ATOM 4476 SG CYS 45 -6.023 -2.616 -9.210 1.00 0.00 1CDR4693
+ATOM 4477 H CYS 45 -9.544 -3.522 -9.608 1.00 0.00 1CDR4694
+ATOM 4478 HA CYS 45 -8.159 -0.979 -8.938 1.00 0.00 1CDR4695
+ATOM 4479 1HB CYS 45 -7.657 -3.238 -10.849 1.00 0.00 1CDR4696
+ATOM 4480 2HB CYS 45 -6.960 -1.656 -11.196 1.00 0.00 1CDR4697
+ATOM 4481 N ASN 46 -10.182 0.045 -10.296 1.00 0.00 1CDR4698
+ATOM 4482 CA ASN 46 -10.974 0.868 -11.253 1.00 0.00 1CDR4699
+ATOM 4483 C ASN 46 -11.182 2.270 -10.677 1.00 0.00 1CDR4700
+ATOM 4484 O ASN 46 -10.670 2.602 -9.625 1.00 0.00 1CDR4701
+ATOM 4485 CB ASN 46 -12.334 0.206 -11.490 1.00 0.00 1CDR4702
+ATOM 4486 CG ASN 46 -12.844 -0.398 -10.179 1.00 0.00 1CDR4703
+ATOM 4487 OD1 ASN 46 -13.799 0.086 -9.605 1.00 0.00 1CDR4704
+ATOM 4488 ND2 ASN 46 -12.244 -1.446 -9.682 1.00 0.00 1CDR4705
+ATOM 4489 H ASN 46 -10.321 0.144 -9.332 1.00 0.00 1CDR4706
+ATOM 4490 HA ASN 46 -10.443 0.941 -12.190 1.00 0.00 1CDR4707
+ATOM 4491 1HB ASN 46 -13.038 0.946 -11.843 1.00 0.00 1CDR4708
+ATOM 4492 2HB ASN 46 -12.231 -0.575 -12.228 1.00 0.00 1CDR4709
+ATOM 4493 1HD2 ASN 46 -12.564 -1.840 -8.843 1.00 0.00 1CDR4710
+ATOM 4494 2HD2 ASN 46 -11.475 -1.838 -10.145 1.00 0.00 1CDR4711
+ATOM 4495 N PHE 47 -11.930 3.096 -11.358 1.00 0.00 1CDR4712
+ATOM 4496 CA PHE 47 -12.173 4.478 -10.854 1.00 0.00 1CDR4713
+ATOM 4497 C PHE 47 -13.350 4.464 -9.876 1.00 0.00 1CDR4714
+ATOM 4498 O PHE 47 -14.348 5.125 -10.083 1.00 0.00 1CDR4715
+ATOM 4499 CB PHE 47 -12.503 5.398 -12.032 1.00 0.00 1CDR4716
+ATOM 4500 CG PHE 47 -11.320 6.288 -12.326 1.00 0.00 1CDR4717
+ATOM 4501 CD1 PHE 47 -10.686 6.974 -11.284 1.00 0.00 1CDR4718
+ATOM 4502 CD2 PHE 47 -10.857 6.425 -13.639 1.00 0.00 1CDR4719
+ATOM 4503 CE1 PHE 47 -9.588 7.798 -11.555 1.00 0.00 1CDR4720
+ATOM 4504 CE2 PHE 47 -9.760 7.251 -13.911 1.00 0.00 1CDR4721
+ATOM 4505 CZ PHE 47 -9.124 7.937 -12.869 1.00 0.00 1CDR4722
+ATOM 4506 H PHE 47 -12.331 2.807 -12.203 1.00 0.00 1CDR4723
+ATOM 4507 HA PHE 47 -11.289 4.840 -10.351 1.00 0.00 1CDR4724
+ATOM 4508 1HB PHE 47 -12.728 4.799 -12.903 1.00 0.00 1CDR4725
+ATOM 4509 2HB PHE 47 -13.359 6.007 -11.783 1.00 0.00 1CDR4726
+ATOM 4510 HD1 PHE 47 -11.042 6.867 -10.270 1.00 0.00 1CDR4727
+ATOM 4511 HD2 PHE 47 -11.348 5.896 -14.444 1.00 0.00 1CDR4728
+ATOM 4512 HE1 PHE 47 -9.098 8.327 -10.752 1.00 0.00 1CDR4729
+ATOM 4513 HE2 PHE 47 -9.403 7.357 -14.925 1.00 0.00 1CDR4730
+ATOM 4514 HZ PHE 47 -8.278 8.573 -13.079 1.00 0.00 1CDR4731
+ATOM 4515 N ASN 48 -13.242 3.718 -8.811 1.00 0.00 1CDR4732
+ATOM 4516 CA ASN 48 -14.357 3.664 -7.825 1.00 0.00 1CDR4733
+ATOM 4517 C ASN 48 -13.992 2.701 -6.693 1.00 0.00 1CDR4734
+ATOM 4518 O ASN 48 -14.355 2.905 -5.550 1.00 0.00 1CDR4735
+ATOM 4519 CB ASN 48 -15.630 3.178 -8.521 1.00 0.00 1CDR4736
+ATOM 4520 CG ASN 48 -16.853 3.665 -7.744 1.00 0.00 1CDR4737
+ATOM 4521 OD1 ASN 48 -17.542 4.567 -8.177 1.00 0.00 1CDR4738
+ATOM 4522 ND2 ASN 48 -17.154 3.103 -6.606 1.00 0.00 1CDR4739
+ATOM 4523 H ASN 48 -12.430 3.193 -8.662 1.00 0.00 1CDR4740
+ATOM 4524 HA ASN 48 -14.524 4.650 -7.417 1.00 0.00 1CDR4741
+ATOM 4525 1HB ASN 48 -15.661 3.568 -9.527 1.00 0.00 1CDR4742
+ATOM 4526 2HB ASN 48 -15.632 2.098 -8.553 1.00 0.00 1CDR4743
+ATOM 4527 1HD2 ASN 48 -17.936 3.409 -6.100 1.00 0.00 1CDR4744
+ATOM 4528 2HD2 ASN 48 -16.598 2.376 -6.258 1.00 0.00 1CDR4745
+ATOM 4529 N ASP 49 -13.274 1.655 -6.998 1.00 0.00 1CDR4746
+ATOM 4530 CA ASP 49 -12.884 0.684 -5.937 1.00 0.00 1CDR4747
+ATOM 4531 C ASP 49 -11.715 1.254 -5.134 1.00 0.00 1CDR4748
+ATOM 4532 O ASP 49 -11.664 1.142 -3.925 1.00 0.00 1CDR4749
+ATOM 4533 CB ASP 49 -12.463 -0.637 -6.584 1.00 0.00 1CDR4750
+ATOM 4534 CG ASP 49 -13.644 -1.609 -6.578 1.00 0.00 1CDR4751
+ATOM 4535 OD1 ASP 49 -13.822 -2.288 -5.580 1.00 0.00 1CDR4752
+ATOM 4536 OD2 ASP 49 -14.351 -1.656 -7.570 1.00 0.00 1CDR4753
+ATOM 4537 H ASP 49 -12.989 1.510 -7.924 1.00 0.00 1CDR4754
+ATOM 4538 HA ASP 49 -13.724 0.512 -5.280 1.00 0.00 1CDR4755
+ATOM 4539 1HB ASP 49 -12.149 -0.456 -7.603 1.00 0.00 1CDR4756
+ATOM 4540 2HB ASP 49 -11.643 -1.066 -6.026 1.00 0.00 1CDR4757
+ATOM 4541 N VAL 50 -10.773 1.867 -5.799 1.00 0.00 1CDR4758
+ATOM 4542 CA VAL 50 -9.605 2.446 -5.079 1.00 0.00 1CDR4759
+ATOM 4543 C VAL 50 -9.952 3.858 -4.596 1.00 0.00 1CDR4760
+ATOM 4544 O VAL 50 -9.590 4.259 -3.508 1.00 0.00 1CDR4761
+ATOM 4545 CB VAL 50 -8.406 2.515 -6.030 1.00 0.00 1CDR4762
+ATOM 4546 CG1 VAL 50 -7.320 3.410 -5.431 1.00 0.00 1CDR4763
+ATOM 4547 CG2 VAL 50 -7.842 1.110 -6.242 1.00 0.00 1CDR4764
+ATOM 4548 H VAL 50 -10.835 1.945 -6.774 1.00 0.00 1CDR4765
+ATOM 4549 HA VAL 50 -9.358 1.823 -4.231 1.00 0.00 1CDR4766
+ATOM 4550 HB VAL 50 -8.725 2.924 -6.979 1.00 0.00 1CDR4767
+ATOM 4551 1HG1 VAL 50 -7.517 3.560 -4.379 1.00 0.00 1CDR4768
+ATOM 4552 2HG1 VAL 50 -6.357 2.936 -5.553 1.00 0.00 1CDR4769
+ATOM 4553 3HG1 VAL 50 -7.318 4.364 -5.938 1.00 0.00 1CDR4770
+ATOM 4554 1HG2 VAL 50 -8.619 0.464 -6.624 1.00 0.00 1CDR4771
+ATOM 4555 2HG2 VAL 50 -7.028 1.152 -6.951 1.00 0.00 1CDR4772
+ATOM 4556 3HG2 VAL 50 -7.480 0.722 -5.302 1.00 0.00 1CDR4773
+ATOM 4557 N THR 51 -10.647 4.614 -5.401 1.00 0.00 1CDR4774
+ATOM 4558 CA THR 51 -11.010 6.002 -4.995 1.00 0.00 1CDR4775
+ATOM 4559 C THR 51 -12.037 5.960 -3.860 1.00 0.00 1CDR4776
+ATOM 4560 O THR 51 -12.281 6.950 -3.200 1.00 0.00 1CDR4777
+ATOM 4561 CB THR 51 -11.605 6.744 -6.195 1.00 0.00 1CDR4778
+ATOM 4562 OG1 THR 51 -12.339 5.831 -6.998 1.00 0.00 1CDR4779
+ATOM 4563 CG2 THR 51 -10.479 7.366 -7.022 1.00 0.00 1CDR4780
+ATOM 4564 H THR 51 -10.925 4.272 -6.276 1.00 0.00 1CDR4781
+ATOM 4565 HA THR 51 -10.125 6.520 -4.658 1.00 0.00 1CDR4782
+ATOM 4566 HB THR 51 -12.262 7.526 -5.845 1.00 0.00 1CDR4783
+ATOM 4567 HG1 THR 51 -12.756 6.328 -7.706 1.00 0.00 1CDR4784
+ATOM 4568 1HG2 THR 51 -9.540 6.900 -6.761 1.00 0.00 1CDR4785
+ATOM 4569 2HG2 THR 51 -10.677 7.213 -8.073 1.00 0.00 1CDR4786
+ATOM 4570 3HG2 THR 51 -10.425 8.426 -6.818 1.00 0.00 1CDR4787
+ATOM 4571 N THR 52 -12.642 4.828 -3.628 1.00 0.00 1CDR4788
+ATOM 4572 CA THR 52 -13.650 4.738 -2.537 1.00 0.00 1CDR4789
+ATOM 4573 C THR 52 -13.015 4.101 -1.301 1.00 0.00 1CDR4790
+ATOM 4574 O THR 52 -13.228 4.539 -0.188 1.00 0.00 1CDR4791
+ATOM 4575 CB THR 52 -14.826 3.882 -3.002 1.00 0.00 1CDR4792
+ATOM 4576 OG1 THR 52 -15.451 4.500 -4.119 1.00 0.00 1CDR4793
+ATOM 4577 CG2 THR 52 -15.835 3.746 -1.864 1.00 0.00 1CDR4794
+ATOM 4578 H THR 52 -12.438 4.040 -4.170 1.00 0.00 1CDR4795
+ATOM 4579 HA THR 52 -14.002 5.729 -2.290 1.00 0.00 1CDR4796
+ATOM 4580 HB THR 52 -14.472 2.903 -3.281 1.00 0.00 1CDR4797
+ATOM 4581 HG1 THR 52 -15.637 5.413 -3.888 1.00 0.00 1CDR4798
+ATOM 4582 1HG2 THR 52 -15.429 4.196 -0.970 1.00 0.00 1CDR4799
+ATOM 4583 2HG2 THR 52 -16.751 4.247 -2.135 1.00 0.00 1CDR4800
+ATOM 4584 3HG2 THR 52 -16.033 2.700 -1.682 1.00 0.00 1CDR4801
+ATOM 4585 N ARG 53 -12.229 3.073 -1.482 1.00 0.00 1CDR4802
+ATOM 4586 CA ARG 53 -11.583 2.423 -0.309 1.00 0.00 1CDR4803
+ATOM 4587 C ARG 53 -10.658 3.436 0.360 1.00 0.00 1CDR4804
+ATOM 4588 O ARG 53 -10.501 3.452 1.564 1.00 0.00 1CDR4805
+ATOM 4589 CB ARG 53 -10.774 1.209 -0.773 1.00 0.00 1CDR4806
+ATOM 4590 CG ARG 53 -11.696 -0.009 -0.873 1.00 0.00 1CDR4807
+ATOM 4591 CD ARG 53 -10.853 -1.286 -0.940 1.00 0.00 1CDR4808
+ATOM 4592 NE ARG 53 -11.087 -2.103 0.284 1.00 0.00 1CDR4809
+ATOM 4593 CZ ARG 53 -10.677 -3.341 0.330 1.00 0.00 1CDR4810
+ATOM 4594 NH1 ARG 53 -10.860 -4.126 -0.695 1.00 0.00 1CDR4811
+ATOM 4595 NH2 ARG 53 -10.084 -3.794 1.401 1.00 0.00 1CDR4812
+ATOM 4596 H ARG 53 -12.060 2.735 -2.385 1.00 0.00 1CDR4813
+ATOM 4597 HA ARG 53 -12.342 2.108 0.393 1.00 0.00 1CDR4814
+ATOM 4598 1HB ARG 53 -10.340 1.414 -1.740 1.00 0.00 1CDR4815
+ATOM 4599 2HB ARG 53 -9.989 1.006 -0.060 1.00 0.00 1CDR4816
+ATOM 4600 1HG ARG 53 -12.339 -0.046 -0.006 1.00 0.00 1CDR4817
+ATOM 4601 2HG ARG 53 -12.299 0.069 -1.766 1.00 0.00 1CDR4818
+ATOM 4602 1HD ARG 53 -11.135 -1.856 -1.812 1.00 0.00 1CDR4819
+ATOM 4603 2HD ARG 53 -9.807 -1.023 -1.004 1.00 0.00 1CDR4820
+ATOM 4604 HE ARG 53 -11.548 -1.711 1.055 1.00 0.00 1CDR4821
+ATOM 4605 1HH1 ARG 53 -11.314 -3.780 -1.516 1.00 0.00 1CDR4822
+ATOM 4606 2HH1 ARG 53 -10.546 -5.076 -0.661 1.00 0.00 1CDR4823
+ATOM 4607 1HH2 ARG 53 -9.945 -3.192 2.187 1.00 0.00 1CDR4824
+ATOM 4608 2HH2 ARG 53 -9.772 -4.743 1.435 1.00 0.00 1CDR4825
+ATOM 4609 N LEU 54 -10.052 4.291 -0.417 1.00 0.00 1CDR4826
+ATOM 4610 CA LEU 54 -9.146 5.316 0.163 1.00 0.00 1CDR4827
+ATOM 4611 C LEU 54 -9.938 6.602 0.417 1.00 0.00 1CDR4828
+ATOM 4612 O LEU 54 -9.432 7.553 0.978 1.00 0.00 1CDR4829
+ATOM 4613 CB LEU 54 -8.013 5.597 -0.821 1.00 0.00 1CDR4830
+ATOM 4614 CG LEU 54 -7.179 4.331 -1.002 1.00 0.00 1CDR4831
+ATOM 4615 CD1 LEU 54 -6.097 4.577 -2.054 1.00 0.00 1CDR4832
+ATOM 4616 CD2 LEU 54 -6.524 3.962 0.329 1.00 0.00 1CDR4833
+ATOM 4617 H LEU 54 -10.200 4.265 -1.385 1.00 0.00 1CDR4834
+ATOM 4618 HA LEU 54 -8.735 4.950 1.091 1.00 0.00 1CDR4835
+ATOM 4619 1HB LEU 54 -8.428 5.898 -1.772 1.00 0.00 1CDR4836
+ATOM 4620 2HB LEU 54 -7.389 6.386 -0.435 1.00 0.00 1CDR4837
+ATOM 4621 HG LEU 54 -7.821 3.524 -1.325 1.00 0.00 1CDR4838
+ATOM 4622 1HD1 LEU 54 -6.559 4.851 -2.990 1.00 0.00 1CDR4839
+ATOM 4623 2HD1 LEU 54 -5.449 5.375 -1.725 1.00 0.00 1CDR4840
+ATOM 4624 3HD1 LEU 54 -5.515 3.676 -2.191 1.00 0.00 1CDR4841
+ATOM 4625 1HD2 LEU 54 -6.528 4.823 0.981 1.00 0.00 1CDR4842
+ATOM 4626 2HD2 LEU 54 -7.077 3.158 0.790 1.00 0.00 1CDR4843
+ATOM 4627 3HD2 LEU 54 -5.506 3.647 0.154 1.00 0.00 1CDR4844
+ATOM 4628 N ARG 55 -11.178 6.636 0.004 1.00 0.00 1CDR4845
+ATOM 4629 CA ARG 55 -12.004 7.857 0.215 1.00 0.00 1CDR4846
+ATOM 4630 C ARG 55 -11.358 9.040 -0.508 1.00 0.00 1CDR4847
+ATOM 4631 O ARG 55 -11.395 10.162 -0.041 1.00 0.00 1CDR4848
+ATOM 4632 CB ARG 55 -12.104 8.160 1.711 1.00 0.00 1CDR4849
+ATOM 4633 CG ARG 55 -13.551 7.965 2.171 1.00 0.00 1CDR4850
+ATOM 4634 CD ARG 55 -13.614 8.015 3.699 1.00 0.00 1CDR4851
+ATOM 4635 NE ARG 55 -13.661 9.435 4.146 1.00 0.00 1CDR4852
+ATOM 4636 CZ ARG 55 -13.245 9.756 5.341 1.00 0.00 1CDR4853
+ATOM 4637 NH1 ARG 55 -12.158 9.215 5.820 1.00 0.00 1CDR4854
+ATOM 4638 NH2 ARG 55 -13.916 10.618 6.057 1.00 0.00 1CDR4855
+ATOM 4639 H ARG 55 -11.566 5.860 -0.449 1.00 0.00 1CDR4856
+ATOM 4640 HA ARG 55 -12.992 7.689 -0.185 1.00 0.00 1CDR4857
+ATOM 4641 1HB ARG 55 -11.457 7.491 2.259 1.00 0.00 1CDR4858
+ATOM 4642 2HB ARG 55 -11.806 9.181 1.893 1.00 0.00 1CDR4859
+ATOM 4643 1HG ARG 55 -14.168 8.748 1.757 1.00 0.00 1CDR4860
+ATOM 4644 2HG ARG 55 -13.910 7.005 1.830 1.00 0.00 1CDR4861
+ATOM 4645 1HD ARG 55 -14.501 7.502 4.039 1.00 0.00 1CDR4862
+ATOM 4646 2HD ARG 55 -12.738 7.536 4.111 1.00 0.00 1CDR4863
+ATOM 4647 HE ARG 55 -14.005 10.127 3.545 1.00 0.00 1CDR4864
+ATOM 4648 1HH1 ARG 55 -11.645 8.555 5.272 1.00 0.00 1CDR4865
+ATOM 4649 2HH1 ARG 55 -11.841 9.461 6.737 1.00 0.00 1CDR4866
+ATOM 4650 1HH2 ARG 55 -14.749 11.031 5.690 1.00 0.00 1CDR4867
+ATOM 4651 2HH2 ARG 55 -13.597 10.863 6.972 1.00 0.00 1CDR4868
+ATOM 4652 N GLU 56 -10.770 8.799 -1.646 1.00 0.00 1CDR4869
+ATOM 4653 CA GLU 56 -10.125 9.908 -2.404 1.00 0.00 1CDR4870
+ATOM 4654 C GLU 56 -10.599 9.868 -3.858 1.00 0.00 1CDR4871
+ATOM 4655 O GLU 56 -11.007 8.838 -4.358 1.00 0.00 1CDR4872
+ATOM 4656 CB GLU 56 -8.604 9.743 -2.355 1.00 0.00 1CDR4873
+ATOM 4657 CG GLU 56 -8.124 9.863 -0.908 1.00 0.00 1CDR4874
+ATOM 4658 CD GLU 56 -6.984 10.881 -0.831 1.00 0.00 1CDR4875
+ATOM 4659 OE1 GLU 56 -6.066 10.773 -1.627 1.00 0.00 1CDR4876
+ATOM 4660 OE2 GLU 56 -7.050 11.750 0.023 1.00 0.00 1CDR4877
+ATOM 4661 H GLU 56 -10.755 7.888 -2.007 1.00 0.00 1CDR4878
+ATOM 4662 HA GLU 56 -10.399 10.855 -1.962 1.00 0.00 1CDR4879
+ATOM 4663 1HB GLU 56 -8.335 8.771 -2.745 1.00 0.00 1CDR4880
+ATOM 4664 2HB GLU 56 -8.139 10.512 -2.952 1.00 0.00 1CDR4881
+ATOM 4665 1HG GLU 56 -8.944 10.191 -0.284 1.00 0.00 1CDR4882
+ATOM 4666 2HG GLU 56 -7.771 8.903 -0.563 1.00 0.00 1CDR4883
+ATOM 4667 N ASN 57 -10.553 10.977 -4.542 1.00 0.00 1CDR4884
+ATOM 4668 CA ASN 57 -11.006 10.993 -5.960 1.00 0.00 1CDR4885
+ATOM 4669 C ASN 57 -9.863 11.466 -6.859 1.00 0.00 1CDR4886
+ATOM 4670 O ASN 57 -9.325 10.710 -7.644 1.00 0.00 1CDR4887
+ATOM 4671 CB ASN 57 -12.199 11.942 -6.102 1.00 0.00 1CDR4888
+ATOM 4672 CG ASN 57 -13.388 11.184 -6.695 1.00 0.00 1CDR4889
+ATOM 4673 OD1 ASN 57 -14.117 11.715 -7.509 1.00 0.00 1CDR4890
+ATOM 4674 ND2 ASN 57 -13.618 9.955 -6.319 1.00 0.00 1CDR4891
+ATOM 4675 H ASN 57 -10.223 11.800 -4.123 1.00 0.00 1CDR4892
+ATOM 4676 HA ASN 57 -11.304 9.996 -6.252 1.00 0.00 1CDR4893
+ATOM 4677 1HB ASN 57 -12.466 12.329 -5.130 1.00 0.00 1CDR4894
+ATOM 4678 2HB ASN 57 -11.932 12.758 -6.755 1.00 0.00 1CDR4895
+ATOM 4679 1HD2 ASN 57 -14.378 9.462 -6.692 1.00 0.00 1CDR4896
+ATOM 4680 2HD2 ASN 57 -13.030 9.525 -5.662 1.00 0.00 1CDR4897
+ATOM 4681 N GLU 58 -9.485 12.711 -6.754 1.00 0.00 1CDR4898
+ATOM 4682 CA GLU 58 -8.376 13.225 -7.606 1.00 0.00 1CDR4899
+ATOM 4683 C GLU 58 -7.113 12.407 -7.339 1.00 0.00 1CDR4900
+ATOM 4684 O GLU 58 -6.325 12.727 -6.471 1.00 0.00 1CDR4901
+ATOM 4685 CB GLU 58 -8.111 14.694 -7.269 1.00 0.00 1CDR4902
+ATOM 4686 CG GLU 58 -8.618 15.575 -8.410 1.00 0.00 1CDR4903
+ATOM 4687 CD GLU 58 -7.757 16.835 -8.506 1.00 0.00 1CDR4904
+ATOM 4688 OE1 GLU 58 -6.971 17.062 -7.601 1.00 0.00 1CDR4905
+ATOM 4689 OE2 GLU 58 -7.897 17.553 -9.484 1.00 0.00 1CDR4906
+ATOM 4690 H GLU 58 -9.931 13.307 -6.115 1.00 0.00 1CDR4907
+ATOM 4691 HA GLU 58 -8.650 13.138 -8.646 1.00 0.00 1CDR4908
+ATOM 4692 1HB GLU 58 -8.624 14.953 -6.355 1.00 0.00 1CDR4909
+ATOM 4693 2HB GLU 58 -7.049 14.848 -7.142 1.00 0.00 1CDR4910
+ATOM 4694 1HG GLU 58 -8.560 15.027 -9.340 1.00 0.00 1CDR4911
+ATOM 4695 2HG GLU 58 -9.643 15.855 -8.220 1.00 0.00 1CDR4912
+ATOM 4696 N LEU 59 -6.914 11.347 -8.075 1.00 0.00 1CDR4913
+ATOM 4697 CA LEU 59 -5.705 10.509 -7.853 1.00 0.00 1CDR4914
+ATOM 4698 C LEU 59 -5.482 9.589 -9.056 1.00 0.00 1CDR4915
+ATOM 4699 O LEU 59 -6.411 9.033 -9.606 1.00 0.00 1CDR4916
+ATOM 4700 CB LEU 59 -5.907 9.660 -6.596 1.00 0.00 1CDR4917
+ATOM 4701 CG LEU 59 -7.166 8.805 -6.756 1.00 0.00 1CDR4918
+ATOM 4702 CD1 LEU 59 -6.765 7.352 -7.013 1.00 0.00 1CDR4919
+ATOM 4703 CD2 LEU 59 -8.006 8.884 -5.478 1.00 0.00 1CDR4920
+ATOM 4704 H LEU 59 -7.562 11.101 -8.767 1.00 0.00 1CDR4921
+ATOM 4705 HA LEU 59 -4.843 11.146 -7.721 1.00 0.00 1CDR4922
+ATOM 4706 1HB LEU 59 -5.050 9.020 -6.452 1.00 0.00 1CDR4923
+ATOM 4707 2HB LEU 59 -6.021 10.307 -5.739 1.00 0.00 1CDR4924
+ATOM 4708 HG LEU 59 -7.745 9.171 -7.593 1.00 0.00 1CDR4925
+ATOM 4709 1HD1 LEU 59 -5.836 7.140 -6.505 1.00 0.00 1CDR4926
+ATOM 4710 2HD1 LEU 59 -7.537 6.694 -6.642 1.00 0.00 1CDR4927
+ATOM 4711 3HD1 LEU 59 -6.639 7.195 -8.075 1.00 0.00 1CDR4928
+ATOM 4712 1HD2 LEU 59 -7.368 9.123 -4.641 1.00 0.00 1CDR4929
+ATOM 4713 2HD2 LEU 59 -8.758 9.651 -5.588 1.00 0.00 1CDR4930
+ATOM 4714 3HD2 LEU 59 -8.486 7.931 -5.304 1.00 0.00 1CDR4931
+ATOM 4715 N THR 60 -4.253 9.419 -9.463 1.00 0.00 1CDR4932
+ATOM 4716 CA THR 60 -3.967 8.528 -10.623 1.00 0.00 1CDR4933
+ATOM 4717 C THR 60 -3.566 7.148 -10.099 1.00 0.00 1CDR4934
+ATOM 4718 O THR 60 -2.415 6.896 -9.800 1.00 0.00 1CDR4935
+ATOM 4719 CB THR 60 -2.826 9.120 -11.455 1.00 0.00 1CDR4936
+ATOM 4720 OG1 THR 60 -2.437 8.189 -12.454 1.00 0.00 1CDR4937
+ATOM 4721 CG2 THR 60 -1.634 9.428 -10.548 1.00 0.00 1CDR4938
+ATOM 4722 H THR 60 -3.517 9.873 -9.001 1.00 0.00 1CDR4939
+ATOM 4723 HA THR 60 -4.853 8.438 -11.236 1.00 0.00 1CDR4940
+ATOM 4724 HB THR 60 -3.158 10.034 -11.925 1.00 0.00 1CDR4941
+ATOM 4725 HG1 THR 60 -2.116 8.683 -13.212 1.00 0.00 1CDR4942
+ATOM 4726 1HG2 THR 60 -1.814 9.019 -9.565 1.00 0.00 1CDR4943
+ATOM 4727 2HG2 THR 60 -0.740 8.985 -10.965 1.00 0.00 1CDR4944
+ATOM 4728 3HG2 THR 60 -1.503 10.497 -10.474 1.00 0.00 1CDR4945
+ATOM 4729 N TYR 61 -4.511 6.257 -9.967 1.00 0.00 1CDR4946
+ATOM 4730 CA TYR 61 -4.192 4.898 -9.442 1.00 0.00 1CDR4947
+ATOM 4731 C TYR 61 -3.822 3.957 -10.593 1.00 0.00 1CDR4948
+ATOM 4732 O TYR 61 -4.541 3.834 -11.565 1.00 0.00 1CDR4949
+ATOM 4733 CB TYR 61 -5.413 4.343 -8.704 1.00 0.00 1CDR4950
+ATOM 4734 CG TYR 61 -6.470 3.930 -9.705 1.00 0.00 1CDR4951
+ATOM 4735 CD1 TYR 61 -6.420 2.658 -10.288 1.00 0.00 1CDR4952
+ATOM 4736 CD2 TYR 61 -7.495 4.819 -10.049 1.00 0.00 1CDR4953
+ATOM 4737 CE1 TYR 61 -7.396 2.276 -11.217 1.00 0.00 1CDR4954
+ATOM 4738 CE2 TYR 61 -8.471 4.436 -10.977 1.00 0.00 1CDR4955
+ATOM 4739 CZ TYR 61 -8.421 3.164 -11.562 1.00 0.00 1CDR4956
+ATOM 4740 OH TYR 61 -9.383 2.786 -12.477 1.00 0.00 1CDR4957
+ATOM 4741 H TYR 61 -5.434 6.486 -10.201 1.00 0.00 1CDR4958
+ATOM 4742 HA TYR 61 -3.362 4.965 -8.755 1.00 0.00 1CDR4959
+ATOM 4743 1HB TYR 61 -5.120 3.485 -8.117 1.00 0.00 1CDR4960
+ATOM 4744 2HB TYR 61 -5.815 5.104 -8.052 1.00 0.00 1CDR4961
+ATOM 4745 HD1 TYR 61 -5.630 1.973 -10.023 1.00 0.00 1CDR4962
+ATOM 4746 HD2 TYR 61 -7.534 5.800 -9.600 1.00 0.00 1CDR4963
+ATOM 4747 HE1 TYR 61 -7.357 1.295 -11.667 1.00 0.00 1CDR4964
+ATOM 4748 HE2 TYR 61 -9.262 5.121 -11.243 1.00 0.00 1CDR4965
+ATOM 4749 HH TYR 61 -9.703 3.578 -12.916 1.00 0.00 1CDR4966
+ATOM 4750 N TYR 62 -2.710 3.283 -10.483 1.00 0.00 1CDR4967
+ATOM 4751 CA TYR 62 -2.300 2.337 -11.558 1.00 0.00 1CDR4968
+ATOM 4752 C TYR 62 -1.831 1.028 -10.920 1.00 0.00 1CDR4969
+ATOM 4753 O TYR 62 -0.912 1.010 -10.125 1.00 0.00 1CDR4970
+ATOM 4754 CB TYR 62 -1.159 2.941 -12.376 1.00 0.00 1CDR4971
+ATOM 4755 CG TYR 62 -0.739 1.959 -13.442 1.00 0.00 1CDR4972
+ATOM 4756 CD1 TYR 62 -1.354 1.984 -14.699 1.00 0.00 1CDR4973
+ATOM 4757 CD2 TYR 62 0.263 1.020 -13.172 1.00 0.00 1CDR4974
+ATOM 4758 CE1 TYR 62 -0.967 1.070 -15.686 1.00 0.00 1CDR4975
+ATOM 4759 CE2 TYR 62 0.649 0.106 -14.159 1.00 0.00 1CDR4976
+ATOM 4760 CZ TYR 62 0.035 0.131 -15.416 1.00 0.00 1CDR4977
+ATOM 4761 OH TYR 62 0.417 -0.771 -16.388 1.00 0.00 1CDR4978
+ATOM 4762 H TYR 62 -2.148 3.392 -9.686 1.00 0.00 1CDR4979
+ATOM 4763 HA TYR 62 -3.144 2.140 -12.205 1.00 0.00 1CDR4980
+ATOM 4764 1HB TYR 62 -1.493 3.858 -12.840 1.00 0.00 1CDR4981
+ATOM 4765 2HB TYR 62 -0.322 3.149 -11.728 1.00 0.00 1CDR4982
+ATOM 4766 HD1 TYR 62 -2.127 2.710 -14.908 1.00 0.00 1CDR4983
+ATOM 4767 HD2 TYR 62 0.738 0.999 -12.201 1.00 0.00 1CDR4984
+ATOM 4768 HE1 TYR 62 -1.441 1.091 -16.657 1.00 0.00 1CDR4985
+ATOM 4769 HE2 TYR 62 1.422 -0.620 -13.951 1.00 0.00 1CDR4986
+ATOM 4770 HH TYR 62 0.905 -1.477 -15.961 1.00 0.00 1CDR4987
+ATOM 4771 N CYS 63 -2.459 -0.068 -11.251 1.00 0.00 1CDR4988
+ATOM 4772 CA CYS 63 -2.050 -1.368 -10.649 1.00 0.00 1CDR4989
+ATOM 4773 C CYS 63 -1.049 -2.078 -11.560 1.00 0.00 1CDR4990
+ATOM 4774 O CYS 63 -0.996 -1.842 -12.751 1.00 0.00 1CDR4991
+ATOM 4775 CB CYS 63 -3.287 -2.245 -10.454 1.00 0.00 1CDR4992
+ATOM 4776 SG CYS 63 -4.594 -1.267 -9.673 1.00 0.00 1CDR4993
+ATOM 4777 H CYS 63 -3.203 -0.035 -11.887 1.00 0.00 1CDR4994
+ATOM 4778 HA CYS 63 -1.589 -1.184 -9.693 1.00 0.00 1CDR4995
+ATOM 4779 1HB CYS 63 -3.628 -2.607 -11.413 1.00 0.00 1CDR4996
+ATOM 4780 2HB CYS 63 -3.037 -3.085 -9.821 1.00 0.00 1CDR4997
+ATOM 4781 N CYS 64 -0.249 -2.946 -11.002 1.00 0.00 1CDR4998
+ATOM 4782 CA CYS 64 0.760 -3.672 -11.826 1.00 0.00 1CDR4999
+ATOM 4783 C CYS 64 0.803 -5.141 -11.400 1.00 0.00 1CDR5000
+ATOM 4784 O CYS 64 0.033 -5.579 -10.567 1.00 0.00 1CDR5001
+ATOM 4785 CB CYS 64 2.134 -3.035 -11.605 1.00 0.00 1CDR5002
+ATOM 4786 SG CYS 64 3.147 -3.220 -13.094 1.00 0.00 1CDR5003
+ATOM 4787 H CYS 64 -0.308 -3.116 -10.037 1.00 0.00 1CDR5004
+ATOM 4788 HA CYS 64 0.494 -3.604 -12.871 1.00 0.00 1CDR5005
+ATOM 4789 1HB CYS 64 2.010 -1.987 -11.384 1.00 0.00 1CDR5006
+ATOM 4790 2HB CYS 64 2.624 -3.522 -10.774 1.00 0.00 1CDR5007
+ATOM 4791 N LYS 65 1.700 -5.908 -11.961 1.00 0.00 1CDR5008
+ATOM 4792 CA LYS 65 1.792 -7.347 -11.582 1.00 0.00 1CDR5009
+ATOM 4793 C LYS 65 3.251 -7.804 -11.649 1.00 0.00 1CDR5010
+ATOM 4794 O LYS 65 3.545 -8.911 -12.051 1.00 0.00 1CDR5011
+ATOM 4795 CB LYS 65 0.954 -8.186 -12.549 1.00 0.00 1CDR5012
+ATOM 4796 CG LYS 65 1.586 -8.149 -13.942 1.00 0.00 1CDR5013
+ATOM 4797 CD LYS 65 0.522 -8.471 -14.993 1.00 0.00 1CDR5014
+ATOM 4798 CE LYS 65 0.195 -9.965 -14.948 1.00 0.00 1CDR5015
+ATOM 4799 NZ LYS 65 0.625 -10.607 -16.223 1.00 0.00 1CDR5016
+ATOM 4800 H LYS 65 2.313 -5.537 -12.628 1.00 0.00 1CDR5017
+ATOM 4801 HA LYS 65 1.420 -7.480 -10.577 1.00 0.00 1CDR5018
+ATOM 4802 1HB LYS 65 0.917 -9.208 -12.198 1.00 0.00 1CDR5019
+ATOM 4803 2HB LYS 65 -0.047 -7.786 -12.600 1.00 0.00 1CDR5020
+ATOM 4804 1HG LYS 65 1.991 -7.164 -14.127 1.00 0.00 1CDR5021
+ATOM 4805 2HG LYS 65 2.378 -8.880 -13.999 1.00 0.00 1CDR5022
+ATOM 4806 1HD LYS 65 -0.371 -7.900 -14.785 1.00 0.00 1CDR5023
+ATOM 4807 2HD LYS 65 0.893 -8.214 -15.973 1.00 0.00 1CDR5024
+ATOM 4808 1HE LYS 65 0.715 -10.423 -14.121 1.00 0.00 1CDR5025
+ATOM 4809 2HE LYS 65 -0.870 -10.096 -14.821 1.00 0.00 1CDR5026
+ATOM 4810 1HZ LYS 65 1.507 -10.168 -16.552 1.00 0.00 1CDR5027
+ATOM 4811 2HZ LYS 65 0.781 -11.624 -16.062 1.00 0.00 1CDR5028
+ATOM 4812 3HZ LYS 65 -0.113 -10.479 -16.943 1.00 0.00 1CDR5029
+ATOM 4813 N LYS 66 4.167 -6.962 -11.257 1.00 0.00 1CDR5030
+ATOM 4814 CA LYS 66 5.603 -7.356 -11.299 1.00 0.00 1CDR5031
+ATOM 4815 C LYS 66 6.241 -7.113 -9.931 1.00 0.00 1CDR5032
+ATOM 4816 O LYS 66 5.754 -6.331 -9.138 1.00 0.00 1CDR5033
+ATOM 4817 CB LYS 66 6.332 -6.528 -12.360 1.00 0.00 1CDR5034
+ATOM 4818 CG LYS 66 6.862 -7.457 -13.455 1.00 0.00 1CDR5035
+ATOM 4819 CD LYS 66 8.018 -6.775 -14.188 1.00 0.00 1CDR5036
+ATOM 4820 CE LYS 66 7.523 -6.238 -15.533 1.00 0.00 1CDR5037
+ATOM 4821 NZ LYS 66 7.543 -7.335 -16.542 1.00 0.00 1CDR5038
+ATOM 4822 H LYS 66 3.911 -6.073 -10.933 1.00 0.00 1CDR5039
+ATOM 4823 HA LYS 66 5.680 -8.404 -11.549 1.00 0.00 1CDR5040
+ATOM 4824 1HB LYS 66 5.647 -5.813 -12.794 1.00 0.00 1CDR5041
+ATOM 4825 2HB LYS 66 7.159 -6.004 -11.904 1.00 0.00 1CDR5042
+ATOM 4826 1HG LYS 66 7.210 -8.377 -13.008 1.00 0.00 1CDR5043
+ATOM 4827 2HG LYS 66 6.072 -7.674 -14.157 1.00 0.00 1CDR5044
+ATOM 4828 1HD LYS 66 8.392 -5.957 -13.588 1.00 0.00 1CDR5045
+ATOM 4829 2HD LYS 66 8.810 -7.488 -14.357 1.00 0.00 1CDR5046
+ATOM 4830 1HE LYS 66 6.515 -5.868 -15.423 1.00 0.00 1CDR5047
+ATOM 4831 2HE LYS 66 8.168 -5.436 -15.859 1.00 0.00 1CDR5048
+ATOM 4832 1HZ LYS 66 8.368 -7.944 -16.376 1.00 0.00 1CDR5049
+ATOM 4833 2HZ LYS 66 6.671 -7.898 -16.457 1.00 0.00 1CDR5050
+ATOM 4834 3HZ LYS 66 7.602 -6.926 -17.496 1.00 0.00 1CDR5051
+ATOM 4835 N ASP 67 7.325 -7.780 -9.646 1.00 0.00 1CDR5052
+ATOM 4836 CA ASP 67 7.993 -7.594 -8.326 1.00 0.00 1CDR5053
+ATOM 4837 C ASP 67 8.413 -6.131 -8.161 1.00 0.00 1CDR5054
+ATOM 4838 O ASP 67 9.407 -5.696 -8.707 1.00 0.00 1CDR5055
+ATOM 4839 CB ASP 67 9.230 -8.491 -8.252 1.00 0.00 1CDR5056
+ATOM 4840 CG ASP 67 9.936 -8.501 -9.609 1.00 0.00 1CDR5057
+ATOM 4841 OD1 ASP 67 9.650 -7.626 -10.410 1.00 0.00 1CDR5058
+ATOM 4842 OD2 ASP 67 10.751 -9.384 -9.825 1.00 0.00 1CDR5059
+ATOM 4843 H ASP 67 7.698 -8.409 -10.298 1.00 0.00 1CDR5060
+ATOM 4844 HA ASP 67 7.307 -7.863 -7.536 1.00 0.00 1CDR5061
+ATOM 4845 1HB ASP 67 9.904 -8.113 -7.498 1.00 0.00 1CDR5062
+ATOM 4846 2HB ASP 67 8.931 -9.497 -7.996 1.00 0.00 1CDR5063
+ATOM 4847 N LEU 68 7.665 -5.371 -7.406 1.00 0.00 1CDR5064
+ATOM 4848 CA LEU 68 8.016 -3.940 -7.195 1.00 0.00 1CDR5065
+ATOM 4849 C LEU 68 7.725 -3.144 -8.468 1.00 0.00 1CDR5066
+ATOM 4850 O LEU 68 8.624 -2.686 -9.145 1.00 0.00 1CDR5067
+ATOM 4851 CB LEU 68 9.500 -3.822 -6.840 1.00 0.00 1CDR5068
+ATOM 4852 CG LEU 68 9.855 -4.863 -5.778 1.00 0.00 1CDR5069
+ATOM 4853 CD1 LEU 68 11.344 -4.771 -5.447 1.00 0.00 1CDR5070
+ATOM 4854 CD2 LEU 68 9.035 -4.596 -4.512 1.00 0.00 1CDR5071
+ATOM 4855 H LEU 68 6.870 -5.744 -6.974 1.00 0.00 1CDR5072
+ATOM 4856 HA LEU 68 7.422 -3.546 -6.384 1.00 0.00 1CDR5073
+ATOM 4857 1HB LEU 68 10.097 -3.989 -7.725 1.00 0.00 1CDR5074
+ATOM 4858 2HB LEU 68 9.699 -2.834 -6.453 1.00 0.00 1CDR5075
+ATOM 4859 HG LEU 68 9.629 -5.851 -6.153 1.00 0.00 1CDR5076
+ATOM 4860 1HD1 LEU 68 11.741 -3.840 -5.825 1.00 0.00 1CDR5077
+ATOM 4861 2HD1 LEU 68 11.479 -4.810 -4.377 1.00 0.00 1CDR5078
+ATOM 4862 3HD1 LEU 68 11.867 -5.597 -5.906 1.00 0.00 1CDR5079
+ATOM 4863 1HD2 LEU 68 7.997 -4.465 -4.777 1.00 0.00 1CDR5080
+ATOM 4864 2HD2 LEU 68 9.132 -5.434 -3.838 1.00 0.00 1CDR5081
+ATOM 4865 3HD2 LEU 68 9.400 -3.702 -4.030 1.00 0.00 1CDR5082
+ATOM 4866 N CYS 69 6.475 -2.976 -8.798 1.00 0.00 1CDR5083
+ATOM 4867 CA CYS 69 6.123 -2.209 -10.027 1.00 0.00 1CDR5084
+ATOM 4868 C CYS 69 5.897 -0.740 -9.663 1.00 0.00 1CDR5085
+ATOM 4869 O CYS 69 6.080 0.146 -10.475 1.00 0.00 1CDR5086
+ATOM 4870 CB CYS 69 4.844 -2.786 -10.636 1.00 0.00 1CDR5087
+ATOM 4871 SG CYS 69 5.031 -2.916 -12.432 1.00 0.00 1CDR5088
+ATOM 4872 H CYS 69 5.766 -3.354 -8.237 1.00 0.00 1CDR5089
+ATOM 4873 HA CYS 69 6.929 -2.284 -10.741 1.00 0.00 1CDR5090
+ATOM 4874 1HB CYS 69 4.660 -3.766 -10.222 1.00 0.00 1CDR5091
+ATOM 4875 2HB CYS 69 4.012 -2.137 -10.407 1.00 0.00 1CDR5092
+ATOM 4876 N ASN 70 5.501 -0.472 -8.448 1.00 0.00 1CDR5093
+ATOM 4877 CA ASN 70 5.265 0.939 -8.033 1.00 0.00 1CDR5094
+ATOM 4878 C ASN 70 6.570 1.543 -7.510 1.00 0.00 1CDR5095
+ATOM 4879 O ASN 70 6.830 1.550 -6.325 1.00 0.00 1CDR5096
+ATOM 4880 CB ASN 70 4.208 0.977 -6.926 1.00 0.00 1CDR5097
+ATOM 4881 CG ASN 70 4.053 2.411 -6.415 1.00 0.00 1CDR5098
+ATOM 4882 OD1 ASN 70 4.762 3.300 -6.842 1.00 0.00 1CDR5099
+ATOM 4883 ND2 ASN 70 3.148 2.676 -5.513 1.00 0.00 1CDR5100
+ATOM 4884 H ASN 70 5.360 -1.201 -7.808 1.00 0.00 1CDR5101
+ATOM 4885 HA ASN 70 4.916 1.512 -8.881 1.00 0.00 1CDR5102
+ATOM 4886 1HB ASN 70 3.263 0.630 -7.317 1.00 0.00 1CDR5103
+ATOM 4887 2HB ASN 70 4.517 0.340 -6.111 1.00 0.00 1CDR5104
+ATOM 4888 1HD2 ASN 70 3.042 3.591 -5.178 1.00 0.00 1CDR5105
+ATOM 4889 2HD2 ASN 70 2.575 1.958 -5.170 1.00 0.00 1CDR5106
+ATOM 4890 N PHE 71 7.394 2.049 -8.386 1.00 0.00 1CDR5107
+ATOM 4891 CA PHE 71 8.680 2.651 -7.937 1.00 0.00 1CDR5108
+ATOM 4892 C PHE 71 8.870 4.010 -8.614 1.00 0.00 1CDR5109
+ATOM 4893 O PHE 71 9.962 4.375 -9.001 1.00 0.00 1CDR5110
+ATOM 4894 CB PHE 71 9.839 1.725 -8.318 1.00 0.00 1CDR5111
+ATOM 4895 CG PHE 71 9.780 1.428 -9.798 1.00 0.00 1CDR5112
+ATOM 4896 CD1 PHE 71 8.798 0.565 -10.300 1.00 0.00 1CDR5113
+ATOM 4897 CD2 PHE 71 10.709 2.013 -10.667 1.00 0.00 1CDR5114
+ATOM 4898 CE1 PHE 71 8.744 0.290 -11.671 1.00 0.00 1CDR5115
+ATOM 4899 CE2 PHE 71 10.655 1.738 -12.038 1.00 0.00 1CDR5116
+ATOM 4900 CZ PHE 71 9.672 0.876 -12.540 1.00 0.00 1CDR5117
+ATOM 4901 H PHE 71 7.167 2.034 -9.339 1.00 0.00 1CDR5118
+ATOM 4902 HA PHE 71 8.663 2.782 -6.865 1.00 0.00 1CDR5119
+ATOM 4903 1HB PHE 71 10.776 2.207 -8.084 1.00 0.00 1CDR5120
+ATOM 4904 2HB PHE 71 9.760 0.802 -7.762 1.00 0.00 1CDR5121
+ATOM 4905 HD1 PHE 71 8.083 0.113 -9.630 1.00 0.00 1CDR5122
+ATOM 4906 HD2 PHE 71 11.466 2.678 -10.279 1.00 0.00 1CDR5123
+ATOM 4907 HE1 PHE 71 7.986 -0.375 -12.059 1.00 0.00 1CDR5124
+ATOM 4908 HE2 PHE 71 11.370 2.191 -12.708 1.00 0.00 1CDR5125
+ATOM 4909 HZ PHE 71 9.629 0.664 -13.598 1.00 0.00 1CDR5126
+ATOM 4910 N ASN 72 7.813 4.761 -8.762 1.00 0.00 1CDR5127
+ATOM 4911 CA ASN 72 7.930 6.094 -9.416 1.00 0.00 1CDR5128
+ATOM 4912 C ASN 72 8.534 5.922 -10.811 1.00 0.00 1CDR5129
+ATOM 4913 O ASN 72 9.569 6.477 -11.123 1.00 0.00 1CDR5130
+ATOM 4914 CB ASN 72 8.834 6.998 -8.576 1.00 0.00 1CDR5131
+ATOM 4915 CG ASN 72 8.195 7.226 -7.205 1.00 0.00 1CDR5132
+ATOM 4916 OD1 ASN 72 7.537 8.224 -6.988 1.00 0.00 1CDR5133
+ATOM 4917 ND2 ASN 72 8.359 6.336 -6.265 1.00 0.00 1CDR5134
+ATOM 4918 H ASN 72 6.940 4.447 -8.444 1.00 0.00 1CDR5135
+ATOM 4919 HA ASN 72 6.951 6.542 -9.500 1.00 0.00 1CDR5136
+ATOM 4920 1HB ASN 72 9.800 6.527 -8.451 1.00 0.00 1CDR5137
+ATOM 4921 2HB ASN 72 8.958 7.947 -9.076 1.00 0.00 1CDR5138
+ATOM 4922 1HD2 ASN 72 7.955 6.474 -5.382 1.00 0.00 1CDR5139
+ATOM 4923 2HD2 ASN 72 8.888 5.530 -6.440 1.00 0.00 1CDR5140
+ATOM 4924 N GLU 73 7.898 5.154 -11.653 1.00 0.00 1CDR5141
+ATOM 4925 CA GLU 73 8.438 4.947 -13.026 1.00 0.00 1CDR5142
+ATOM 4926 C GLU 73 7.550 3.956 -13.780 1.00 0.00 1CDR5143
+ATOM 4927 O GLU 73 8.027 3.121 -14.524 1.00 0.00 1CDR5144
+ATOM 4928 CB GLU 73 9.861 4.390 -12.933 1.00 0.00 1CDR5145
+ATOM 4929 CG GLU 73 10.851 5.433 -13.455 1.00 0.00 1CDR5146
+ATOM 4930 CD GLU 73 11.798 4.780 -14.464 1.00 0.00 1CDR5147
+ATOM 4931 OE1 GLU 73 11.417 4.670 -15.617 1.00 0.00 1CDR5148
+ATOM 4932 OE2 GLU 73 12.888 4.403 -14.066 1.00 0.00 1CDR5149
+ATOM 4933 H GLU 73 7.066 4.713 -11.382 1.00 0.00 1CDR5150
+ATOM 4934 HA GLU 73 8.455 5.889 -13.553 1.00 0.00 1CDR5151
+ATOM 4935 1HB GLU 73 10.088 4.158 -11.902 1.00 0.00 1CDR5152
+ATOM 4936 2HB GLU 73 9.936 3.493 -13.529 1.00 0.00 1CDR5153
+ATOM 4937 1HG GLU 73 10.309 6.235 -13.935 1.00 0.00 1CDR5154
+ATOM 4938 2HG GLU 73 11.424 5.829 -12.630 1.00 0.00 1CDR5155
+ATOM 4939 N GLN 74 6.263 4.042 -13.595 1.00 0.00 1CDR5156
+ATOM 4940 CA GLN 74 5.346 3.105 -14.304 1.00 0.00 1CDR5157
+ATOM 4941 C GLN 74 4.038 3.827 -14.632 1.00 0.00 1CDR5158
+ATOM 4942 O GLN 74 3.032 3.208 -14.917 1.00 0.00 1CDR5159
+ATOM 4943 CB GLN 74 5.051 1.903 -13.405 1.00 0.00 1CDR5160
+ATOM 4944 CG GLN 74 4.591 0.723 -14.263 1.00 0.00 1CDR5161
+ATOM 4945 CD GLN 74 5.808 -0.087 -14.714 1.00 0.00 1CDR5162
+ATOM 4946 OE1 GLN 74 6.918 0.183 -14.300 1.00 0.00 1CDR5163
+ATOM 4947 NE2 GLN 74 5.647 -1.075 -15.551 1.00 0.00 1CDR5164
+ATOM 4948 H GLN 74 5.899 4.722 -12.992 1.00 0.00 1CDR5165
+ATOM 4949 HA GLN 74 5.811 2.767 -15.218 1.00 0.00 1CDR5166
+ATOM 4950 1HB GLN 74 5.947 1.629 -12.866 1.00 0.00 1CDR5167
+ATOM 4951 2HB GLN 74 4.272 2.159 -12.703 1.00 0.00 1CDR5168
+ATOM 4952 1HG GLN 74 3.933 0.091 -13.684 1.00 0.00 1CDR5169
+ATOM 4953 2HG GLN 74 4.064 1.092 -15.131 1.00 0.00 1CDR5170
+ATOM 4954 1HE2 GLN 74 6.420 -1.600 -15.845 1.00 0.00 1CDR5171
+ATOM 4955 2HE2 GLN 74 4.751 -1.293 -15.885 1.00 0.00 1CDR5172
+ATOM 4956 N LEU 75 4.042 5.130 -14.595 1.00 0.00 1CDR5173
+ATOM 4957 CA LEU 75 2.798 5.889 -14.904 1.00 0.00 1CDR5174
+ATOM 4958 C LEU 75 3.109 7.002 -15.905 1.00 0.00 1CDR5175
+ATOM 4959 O LEU 75 2.415 7.177 -16.888 1.00 0.00 1CDR5176
+ATOM 4960 CB LEU 75 2.243 6.502 -13.618 1.00 0.00 1CDR5177
+ATOM 4961 CG LEU 75 0.785 6.076 -13.436 1.00 0.00 1CDR5178
+ATOM 4962 CD1 LEU 75 0.408 6.166 -11.956 1.00 0.00 1CDR5179
+ATOM 4963 CD2 LEU 75 -0.121 7.001 -14.250 1.00 0.00 1CDR5180
+ATOM 4964 H LEU 75 4.865 5.611 -14.361 1.00 0.00 1CDR5181
+ATOM 4965 HA LEU 75 2.065 5.218 -15.328 1.00 0.00 1CDR5182
+ATOM 4966 1HB LEU 75 2.828 6.161 -12.776 1.00 0.00 1CDR5183
+ATOM 4967 2HB LEU 75 2.296 7.579 -13.680 1.00 0.00 1CDR5184
+ATOM 4968 HG LEU 75 0.664 5.058 -13.776 1.00 0.00 1CDR5185
+ATOM 4969 1HD1 LEU 75 0.706 7.128 -11.565 1.00 0.00 1CDR5186
+ATOM 4970 2HD1 LEU 75 -0.662 6.052 -11.850 1.00 0.00 1CDR5187
+ATOM 4971 3HD1 LEU 75 0.909 5.383 -11.407 1.00 0.00 1CDR5188
+ATOM 4972 1HD2 LEU 75 0.419 7.901 -14.507 1.00 0.00 1CDR5189
+ATOM 4973 2HD2 LEU 75 -0.431 6.497 -15.153 1.00 0.00 1CDR5190
+ATOM 4974 3HD2 LEU 75 -0.991 7.258 -13.666 1.00 0.00 1CDR5191
+ATOM 4975 N GLU 76 4.145 7.758 -15.667 1.00 0.00 1CDR5192
+ATOM 4976 CA GLU 76 4.494 8.859 -16.608 1.00 0.00 1CDR5193
+ATOM 4977 C GLU 76 4.469 8.331 -18.043 1.00 0.00 1CDR5194
+ATOM 4978 O GLU 76 4.369 7.143 -18.276 1.00 0.00 1CDR5195
+ATOM 4979 CB GLU 76 5.893 9.388 -16.282 1.00 0.00 1CDR5196
+ATOM 4980 CG GLU 76 5.922 9.902 -14.841 1.00 0.00 1CDR5197
+ATOM 4981 CD GLU 76 7.004 9.160 -14.055 1.00 0.00 1CDR5198
+ATOM 4982 OE1 GLU 76 6.843 7.970 -13.842 1.00 0.00 1CDR5199
+ATOM 4983 OE2 GLU 76 7.977 9.794 -13.683 1.00 0.00 1CDR5200
+ATOM 4984 H GLU 76 4.692 7.603 -14.869 1.00 0.00 1CDR5201
+ATOM 4985 HA GLU 76 3.775 9.659 -16.507 1.00 0.00 1CDR5202
+ATOM 4986 1HB GLU 76 6.614 8.592 -16.397 1.00 0.00 1CDR5203
+ATOM 4987 2HB GLU 76 6.137 10.196 -16.956 1.00 0.00 1CDR5204
+ATOM 4988 1HG GLU 76 6.139 10.961 -14.840 1.00 0.00 1CDR5205
+ATOM 4989 2HG GLU 76 4.962 9.730 -14.378 1.00 0.00 1CDR5206
+ATOM 4990 N ASN 77 4.557 9.206 -19.007 1.00 0.00 1CDR5207
+ATOM 4991 CA ASN 77 4.538 8.754 -20.427 1.00 0.00 1CDR5208
+ATOM 4992 C ASN 77 5.616 9.500 -21.216 1.00 0.00 1CDR5209
+ATOM 4993 O ASN 77 5.487 10.703 -21.366 1.00 0.00 1CDR5210
+ATOM 4994 CB ASN 77 3.165 9.046 -21.037 1.00 0.00 1CDR5211
+ATOM 4995 CG ASN 77 2.932 8.125 -22.237 1.00 0.00 1CDR5212
+ATOM 4996 OD1 ASN 77 3.130 6.930 -22.147 1.00 0.00 1CDR5213
+ATOM 4997 ND2 ASN 77 2.516 8.635 -23.363 1.00 0.00 1CDR5214
+ATOM 4998 OXT ASN 77 6.551 8.853 -21.659 1.00 0.00 1CDR5215
+ATOM 4999 H ASN 77 4.636 10.160 -18.799 1.00 0.00 1CDR5216
+ATOM 5000 HA ASN 77 4.731 7.692 -20.470 1.00 0.00 1CDR5217
+ATOM 5001 1HB ASN 77 2.398 8.873 -20.295 1.00 0.00 1CDR5218
+ATOM 5002 2HB ASN 77 3.126 10.075 -21.362 1.00 0.00 1CDR5219
+ATOM 5003 1HD2 ASN 77 2.365 8.053 -24.138 1.00 0.00 1CDR5220
+ATOM 5004 2HD2 ASN 77 2.355 9.598 -23.436 1.00 0.00 1CDR5221
+TER 5005 ASN 77 1CDR5222
+HETATM 5006 C1 NAG 78 10.077 -12.302 0.005 1.00 0.00 1 1CDR5223
+HETATM 5007 C2 NAG 78 11.265 -11.347 0.027 1.00 0.00 1 1CDR5224
+HETATM 5008 C3 NAG 78 12.412 -11.975 -0.743 1.00 0.00 1 1CDR5225
+HETATM 5009 C4 NAG 78 12.759 -13.297 -0.082 1.00 0.00 1 1CDR5226
+HETATM 5010 C5 NAG 78 11.528 -14.199 -0.106 1.00 0.00 1 1CDR5227
+HETATM 5011 C6 NAG 78 11.767 -15.547 0.544 1.00 0.00 1 1CDR5228
+HETATM 5012 C7 NAG 78 11.574 -9.002 -0.275 1.00 0.00 1 1CDR5229
+HETATM 5013 C8 NAG 78 11.143 -7.703 -0.936 1.00 0.00 1 1CDR5230
+HETATM 5014 N2 NAG 78 10.900 -10.080 -0.570 1.00 0.00 1 1CDR5231
+HETATM 5015 O3 NAG 78 13.537 -11.110 -0.737 1.00 0.00 1 1CDR5232
+HETATM 5016 O4 NAG 78 13.852 -13.928 -0.777 1.00 0.00 1 1CDR5233
+HETATM 5017 O5 NAG 78 10.437 -13.561 0.597 1.00 0.00 1 1CDR5234
+HETATM 5018 O6 NAG 78 11.318 -15.525 1.912 1.00 0.00 1 1CDR5235
+HETATM 5019 O7 NAG 78 12.512 -9.039 0.496 1.00 0.00 1 1CDR5236
+HETATM 5020 H1 NAG 78 9.773 -12.502 -1.034 1.00 0.00 1 1CDR5237
+HETATM 5021 H2 NAG 78 11.579 -11.191 1.069 1.00 0.00 1 1CDR5238
+HETATM 5022 H3 NAG 78 12.085 -12.165 -1.775 1.00 0.00 1 1CDR5239
+HETATM 5023 H4 NAG 78 13.039 -13.107 0.964 1.00 0.00 1 1CDR5240
+HETATM 5024 H5 NAG 78 11.210 -14.350 -1.147 1.00 0.00 1 1CDR5241
+HETATM 5025 1H6 NAG 78 12.841 -15.780 0.501 1.00 0.00 1 1CDR5242
+HETATM 5026 2H6 NAG 78 11.226 -16.319 -0.021 1.00 0.00 1 1CDR5243
+HETATM 5027 1H8 NAG 78 10.167 -7.383 -0.545 1.00 0.00 1 1CDR5244
+HETATM 5028 2H8 NAG 78 11.059 -7.838 -2.023 1.00 0.00 1 1CDR5245
+HETATM 5029 3H8 NAG 78 11.878 -6.911 -0.736 1.00 0.00 1 1CDR5246
+HETATM 5030 HN2 NAG 78 10.151 -10.032 -1.198 1.00 0.00 1 1CDR5247
+HETATM 5031 HO3 NAG 78 14.295 -11.571 -1.104 1.00 0.00 1 1CDR5248
+HETATM 5032 C1 NAG 79 15.031 -14.055 -0.060 1.00 0.00 1CDR5249
+HETATM 5033 C2 NAG 79 15.926 -15.105 -0.706 1.00 0.00 1CDR5250
+HETATM 5034 C3 NAG 79 17.220 -15.196 0.084 1.00 0.00 1CDR5251
+HETATM 5035 C4 NAG 79 17.878 -13.827 0.075 1.00 0.00 1CDR5252
+HETATM 5036 C5 NAG 79 16.923 -12.815 0.705 1.00 0.00 1CDR5253
+HETATM 5037 C6 NAG 79 17.483 -11.407 0.729 1.00 0.00 1CDR5254
+HETATM 5038 C7 NAG 79 14.253 -16.589 -1.537 1.00 0.00 1CDR5255
+HETATM 5039 C8 NAG 79 13.591 -17.957 -1.509 1.00 0.00 1CDR5256
+HETATM 5040 N2 NAG 79 15.256 -16.390 -0.726 1.00 0.00 1CDR5257
+HETATM 5041 O3 NAG 79 18.081 -16.163 -0.499 1.00 0.00 1CDR5258
+HETATM 5042 O4 NAG 79 19.095 -13.870 0.808 1.00 0.00 1CDR5259
+HETATM 5043 O5 NAG 79 15.684 -12.776 -0.041 1.00 0.00 1CDR5260
+HETATM 5044 O6 NAG 79 17.687 -10.912 -0.586 1.00 0.00 1CDR5261
+HETATM 5045 O7 NAG 79 13.866 -15.714 -2.286 1.00 0.00 1CDR5262
+HETATM 5046 H1 NAG 79 14.811 -14.335 0.982 1.00 0.00 1CDR5263
+HETATM 5047 H2 NAG 79 16.159 -14.792 -1.735 1.00 0.00 1CDR5264
+HETATM 5048 H3 NAG 79 16.986 -15.474 1.122 1.00 0.00 1CDR5265
+HETATM 5049 H4 NAG 79 18.075 -13.532 -0.965 1.00 0.00 1CDR5266
+HETATM 5050 H5 NAG 79 16.687 -13.129 1.731 1.00 0.00 1CDR5267
+HETATM 5051 1H6 NAG 79 18.433 -11.413 1.280 1.00 0.00 1CDR5268
+HETATM 5052 2H6 NAG 79 16.782 -10.756 1.270 1.00 0.00 1CDR5269
+HETATM 5053 1H8 NAG 79 12.966 -18.060 -0.610 1.00 0.00 1CDR5270
+HETATM 5054 2H8 NAG 79 14.352 -18.750 -1.501 1.00 0.00 1CDR5271
+HETATM 5055 3H8 NAG 79 12.954 -18.090 -2.395 1.00 0.00 1CDR5272
+HETATM 5056 HN2 NAG 79 15.556 -17.109 -0.131 1.00 0.00 1CDR5273
+HETATM 5057 HO4 NAG 79 19.783 -14.254 0.259 1.00 0.00 1CDR5274
+HETATM 5058 HO3 NAG 79 18.963 -15.792 -0.588 1.00 0.00 1CDR5275
+HETATM 5059 HO6 NAG 79 18.577 -11.130 -0.873 1.00 0.00 1CDR5276
+HETATM 5060 C1 FUC 80 11.613 -16.724 2.570 1.00 0.00 1CDR5277
+HETATM 5061 C2 FUC 80 11.085 -16.649 3.996 1.00 0.00 1CDR5278
+HETATM 5062 C3 FUC 80 9.570 -16.527 3.954 1.00 0.00 1CDR5279
+HETATM 5063 C4 FUC 80 9.019 -17.744 3.229 1.00 0.00 1CDR5280
+HETATM 5064 C5 FUC 80 9.601 -17.784 1.820 1.00 0.00 1CDR5281
+HETATM 5065 C6 FUC 80 9.130 -18.982 1.018 1.00 0.00 1CDR5282
+HETATM 5066 O2 FUC 80 11.647 -15.529 4.663 1.00 0.00 1CDR5283
+HETATM 5067 O3 FUC 80 9.048 -16.457 5.274 1.00 0.00 1CDR5284
+HETATM 5068 O4 FUC 80 9.364 -18.926 3.935 1.00 0.00 1CDR5285
+HETATM 5069 O5 FUC 80 11.043 -17.845 1.895 1.00 0.00 1CDR5286
+HETATM 5070 H1 FUC 80 12.704 -16.874 2.581 1.00 0.00 1CDR5287
+HETATM 5071 H2 FUC 80 11.352 -17.576 4.524 1.00 0.00 1CDR5288
+HETATM 5072 H3 FUC 80 9.300 -15.622 3.391 1.00 0.00 1CDR5289
+HETATM 5073 H4 FUC 80 7.925 -17.652 3.160 1.00 0.00 1CDR5290
+HETATM 5074 H5 FUC 80 9.331 -16.862 1.288 1.00 0.00 1CDR5291
+HETATM 5075 1H6 FUC 80 9.978 -19.645 0.800 1.00 0.00 1CDR5292
+HETATM 5076 2H6 FUC 80 8.686 -18.647 0.070 1.00 0.00 1CDR5293
+HETATM 5077 3H6 FUC 80 8.376 -19.542 1.589 1.00 0.00 1CDR5294
+HETATM 5078 HO2 FUC 80 12.602 -15.628 4.705 1.00 0.00 1CDR5295
+HETATM 5079 HO3 FUC 80 8.101 -16.609 5.250 1.00 0.00 1CDR5296
+HETATM 5080 HO4 FUC 80 8.563 -19.398 4.177 1.00 0.00 1CDR5297
+ENDMDL 1CDR5298
+MODEL 5 1CDR5299
+ATOM 5081 N LEU 1 3.423 -11.974 -5.007 1.00 0.00 1CDR5300
+ATOM 5082 CA LEU 1 3.807 -10.676 -5.629 1.00 0.00 1CDR5301
+ATOM 5083 C LEU 1 4.377 -9.746 -4.556 1.00 0.00 1CDR5302
+ATOM 5084 O LEU 1 3.818 -9.600 -3.487 1.00 0.00 1CDR5303
+ATOM 5085 CB LEU 1 2.577 -10.027 -6.266 1.00 0.00 1CDR5304
+ATOM 5086 CG LEU 1 3.006 -9.194 -7.475 1.00 0.00 1CDR5305
+ATOM 5087 CD1 LEU 1 2.921 -10.046 -8.743 1.00 0.00 1CDR5306
+ATOM 5088 CD2 LEU 1 2.078 -7.986 -7.612 1.00 0.00 1CDR5307
+ATOM 5089 1H LEU 1 2.961 -11.795 -4.091 1.00 0.00 1CDR5308
+ATOM 5090 2H LEU 1 2.766 -12.479 -5.634 1.00 0.00 1CDR5309
+ATOM 5091 3H LEU 1 4.272 -12.554 -4.859 1.00 0.00 1CDR5310
+ATOM 5092 HA LEU 1 4.556 -10.850 -6.387 1.00 0.00 1CDR5311
+ATOM 5093 1HB LEU 1 1.888 -10.797 -6.585 1.00 0.00 1CDR5312
+ATOM 5094 2HB LEU 1 2.093 -9.388 -5.544 1.00 0.00 1CDR5313
+ATOM 5095 HG LEU 1 4.023 -8.855 -7.337 1.00 0.00 1CDR5314
+ATOM 5096 1HD1 LEU 1 2.600 -11.044 -8.484 1.00 0.00 1CDR5315
+ATOM 5097 2HD1 LEU 1 2.211 -9.606 -9.427 1.00 0.00 1CDR5316
+ATOM 5098 3HD1 LEU 1 3.893 -10.091 -9.212 1.00 0.00 1CDR5317
+ATOM 5099 1HD2 LEU 1 1.130 -8.206 -7.145 1.00 0.00 1CDR5318
+ATOM 5100 2HD2 LEU 1 2.527 -7.130 -7.130 1.00 0.00 1CDR5319
+ATOM 5101 3HD2 LEU 1 1.923 -7.768 -8.659 1.00 0.00 1CDR5320
+ATOM 5102 N GLN 2 5.486 -9.119 -4.832 1.00 0.00 1CDR5321
+ATOM 5103 CA GLN 2 6.094 -8.203 -3.828 1.00 0.00 1CDR5322
+ATOM 5104 C GLN 2 5.781 -6.752 -4.201 1.00 0.00 1CDR5323
+ATOM 5105 O GLN 2 5.549 -6.432 -5.349 1.00 0.00 1CDR5324
+ATOM 5106 CB GLN 2 7.610 -8.409 -3.805 1.00 0.00 1CDR5325
+ATOM 5107 CG GLN 2 7.937 -9.732 -3.108 1.00 0.00 1CDR5326
+ATOM 5108 CD GLN 2 9.225 -10.315 -3.692 1.00 0.00 1CDR5327
+ATOM 5109 OE1 GLN 2 9.503 -10.152 -4.864 1.00 0.00 1CDR5328
+ATOM 5110 NE2 GLN 2 10.030 -10.993 -2.920 1.00 0.00 1CDR5329
+ATOM 5111 H GLN 2 5.922 -9.252 -5.700 1.00 0.00 1CDR5330
+ATOM 5112 HA GLN 2 5.686 -8.415 -2.851 1.00 0.00 1CDR5331
+ATOM 5113 1HB GLN 2 7.984 -8.434 -4.818 1.00 0.00 1CDR5332
+ATOM 5114 2HB GLN 2 8.077 -7.598 -3.268 1.00 0.00 1CDR5333
+ATOM 5115 1HG GLN 2 8.067 -9.559 -2.050 1.00 0.00 1CDR5334
+ATOM 5116 2HG GLN 2 7.127 -10.430 -3.262 1.00 0.00 1CDR5335
+ATOM 5117 1HE2 GLN 2 10.858 -11.369 -3.285 1.00 0.00 1CDR5336
+ATOM 5118 2HE2 GLN 2 9.807 -11.125 -1.975 1.00 0.00 1CDR5337
+ATOM 5119 N CYS 3 5.768 -5.874 -3.237 1.00 0.00 1CDR5338
+ATOM 5120 CA CYS 3 5.467 -4.446 -3.536 1.00 0.00 1CDR5339
+ATOM 5121 C CYS 3 6.075 -3.551 -2.454 1.00 0.00 1CDR5340
+ATOM 5122 O CYS 3 6.406 -4.002 -1.376 1.00 0.00 1CDR5341
+ATOM 5123 CB CYS 3 3.954 -4.243 -3.570 1.00 0.00 1CDR5342
+ATOM 5124 SG CYS 3 3.290 -4.896 -5.122 1.00 0.00 1CDR5343
+ATOM 5125 H CYS 3 5.955 -6.155 -2.317 1.00 0.00 1CDR5344
+ATOM 5126 HA CYS 3 5.882 -4.185 -4.494 1.00 0.00 1CDR5345
+ATOM 5127 1HB CYS 3 3.510 -4.766 -2.742 1.00 0.00 1CDR5346
+ATOM 5128 2HB CYS 3 3.729 -3.190 -3.496 1.00 0.00 1CDR5347
+ATOM 5129 N TYR 4 6.223 -2.285 -2.733 1.00 0.00 1CDR5348
+ATOM 5130 CA TYR 4 6.806 -1.363 -1.718 1.00 0.00 1CDR5349
+ATOM 5131 C TYR 4 5.691 -0.832 -0.816 1.00 0.00 1CDR5350
+ATOM 5132 O TYR 4 4.997 0.106 -1.156 1.00 0.00 1CDR5351
+ATOM 5133 CB TYR 4 7.491 -0.190 -2.424 1.00 0.00 1CDR5352
+ATOM 5134 CG TYR 4 8.607 -0.710 -3.297 1.00 0.00 1CDR5353
+ATOM 5135 CD1 TYR 4 8.341 -1.102 -4.615 1.00 0.00 1CDR5354
+ATOM 5136 CD2 TYR 4 9.910 -0.798 -2.790 1.00 0.00 1CDR5355
+ATOM 5137 CE1 TYR 4 9.377 -1.582 -5.424 1.00 0.00 1CDR5356
+ATOM 5138 CE2 TYR 4 10.945 -1.278 -3.600 1.00 0.00 1CDR5357
+ATOM 5139 CZ TYR 4 10.679 -1.670 -4.917 1.00 0.00 1CDR5358
+ATOM 5140 OH TYR 4 11.700 -2.142 -5.714 1.00 0.00 1CDR5359
+ATOM 5141 H TYR 4 5.947 -1.939 -3.608 1.00 0.00 1CDR5360
+ATOM 5142 HA TYR 4 7.529 -1.897 -1.120 1.00 0.00 1CDR5361
+ATOM 5143 1HB TYR 4 6.770 0.334 -3.034 1.00 0.00 1CDR5362
+ATOM 5144 2HB TYR 4 7.897 0.486 -1.686 1.00 0.00 1CDR5363
+ATOM 5145 HD1 TYR 4 7.337 -1.034 -5.005 1.00 0.00 1CDR5364
+ATOM 5146 HD2 TYR 4 10.115 -0.496 -1.774 1.00 0.00 1CDR5365
+ATOM 5147 HE1 TYR 4 9.172 -1.885 -6.441 1.00 0.00 1CDR5366
+ATOM 5148 HE2 TYR 4 11.949 -1.346 -3.209 1.00 0.00 1CDR5367
+ATOM 5149 HH TYR 4 12.370 -1.458 -5.772 1.00 0.00 1CDR5368
+ATOM 5150 N ASN 5 5.510 -1.425 0.332 1.00 0.00 1CDR5369
+ATOM 5151 CA ASN 5 4.437 -0.952 1.252 1.00 0.00 1CDR5370
+ATOM 5152 C ASN 5 5.059 -0.138 2.388 1.00 0.00 1CDR5371
+ATOM 5153 O ASN 5 6.051 -0.527 2.973 1.00 0.00 1CDR5372
+ATOM 5154 CB ASN 5 3.695 -2.158 1.832 1.00 0.00 1CDR5373
+ATOM 5155 CG ASN 5 2.605 -1.678 2.790 1.00 0.00 1CDR5374
+ATOM 5156 OD1 ASN 5 2.791 -1.677 3.991 1.00 0.00 1CDR5375
+ATOM 5157 ND2 ASN 5 1.462 -1.267 2.308 1.00 0.00 1CDR5376
+ATOM 5158 H ASN 5 6.077 -2.181 0.589 1.00 0.00 1CDR5377
+ATOM 5159 HA ASN 5 3.742 -0.331 0.704 1.00 0.00 1CDR5378
+ATOM 5160 1HB ASN 5 3.246 -2.723 1.028 1.00 0.00 1CDR5379
+ATOM 5161 2HB ASN 5 4.392 -2.785 2.367 1.00 0.00 1CDR5380
+ATOM 5162 1HD2 ASN 5 0.757 -0.957 2.913 1.00 0.00 1CDR5381
+ATOM 5163 2HD2 ASN 5 1.311 -1.268 1.339 1.00 0.00 1CDR5382
+ATOM 5164 N CYS 6 4.488 0.991 2.702 1.00 0.00 1CDR5383
+ATOM 5165 CA CYS 6 5.047 1.829 3.799 1.00 0.00 1CDR5384
+ATOM 5166 C CYS 6 3.923 2.222 4.761 1.00 0.00 1CDR5385
+ATOM 5167 O CYS 6 2.762 2.024 4.469 1.00 0.00 1CDR5386
+ATOM 5168 CB CYS 6 5.675 3.092 3.205 1.00 0.00 1CDR5387
+ATOM 5169 SG CYS 6 7.477 2.920 3.185 1.00 0.00 1CDR5388
+ATOM 5170 H CYS 6 3.690 1.288 2.218 1.00 0.00 1CDR5389
+ATOM 5171 HA CYS 6 5.800 1.269 4.334 1.00 0.00 1CDR5390
+ATOM 5172 1HB CYS 6 5.314 3.232 2.197 1.00 0.00 1CDR5391
+ATOM 5173 2HB CYS 6 5.401 3.946 3.807 1.00 0.00 1CDR5392
+ATOM 5174 N PRO 7 4.308 2.772 5.885 1.00 0.00 1CDR5393
+ATOM 5175 CA PRO 7 3.357 3.210 6.918 1.00 0.00 1CDR5394
+ATOM 5176 C PRO 7 2.734 4.552 6.526 1.00 0.00 1CDR5395
+ATOM 5177 O PRO 7 1.716 4.956 7.054 1.00 0.00 1CDR5396
+ATOM 5178 CB PRO 7 4.228 3.357 8.168 1.00 0.00 1CDR5397
+ATOM 5179 CG PRO 7 5.680 3.551 7.668 1.00 0.00 1CDR5398
+ATOM 5180 CD PRO 7 5.726 3.005 6.229 1.00 0.00 1CDR5399
+ATOM 5181 HA PRO 7 2.596 2.466 7.082 1.00 0.00 1CDR5400
+ATOM 5182 1HB PRO 7 3.911 4.219 8.741 1.00 0.00 1CDR5401
+ATOM 5183 2HB PRO 7 4.167 2.466 8.772 1.00 0.00 1CDR5402
+ATOM 5184 1HG PRO 7 5.937 4.602 7.679 1.00 0.00 1CDR5403
+ATOM 5185 2HG PRO 7 6.363 2.994 8.290 1.00 0.00 1CDR5404
+ATOM 5186 1HD PRO 7 6.165 3.735 5.562 1.00 0.00 1CDR5405
+ATOM 5187 2HD PRO 7 6.275 2.077 6.193 1.00 0.00 1CDR5406
+ATOM 5188 N ASN 8 3.340 5.246 5.602 1.00 0.00 1CDR5407
+ATOM 5189 CA ASN 8 2.789 6.560 5.172 1.00 0.00 1CDR5408
+ATOM 5190 C ASN 8 2.881 6.674 3.649 1.00 0.00 1CDR5409
+ATOM 5191 O ASN 8 3.659 5.982 3.024 1.00 0.00 1CDR5410
+ATOM 5192 CB ASN 8 3.595 7.690 5.819 1.00 0.00 1CDR5411
+ATOM 5193 CG ASN 8 4.106 7.237 7.189 1.00 0.00 1CDR5412
+ATOM 5194 OD1 ASN 8 3.361 7.205 8.149 1.00 0.00 1CDR5413
+ATOM 5195 ND2 ASN 8 5.355 6.883 7.321 1.00 0.00 1CDR5414
+ATOM 5196 H ASN 8 4.160 4.900 5.190 1.00 0.00 1CDR5415
+ATOM 5197 HA ASN 8 1.756 6.635 5.475 1.00 0.00 1CDR5416
+ATOM 5198 1HB ASN 8 4.434 7.940 5.186 1.00 0.00 1CDR5417
+ATOM 5199 2HB ASN 8 2.964 8.558 5.941 1.00 0.00 1CDR5418
+ATOM 5200 1HD2 ASN 8 5.693 6.594 8.194 1.00 0.00 1CDR5419
+ATOM 5201 2HD2 ASN 8 5.956 6.908 6.547 1.00 0.00 1CDR5420
+ATOM 5202 N PRO 9 2.078 7.546 3.097 1.00 0.00 1CDR5421
+ATOM 5203 CA PRO 9 2.041 7.778 1.644 1.00 0.00 1CDR5422
+ATOM 5204 C PRO 9 3.239 8.619 1.207 1.00 0.00 1CDR5423
+ATOM 5205 O PRO 9 3.143 9.814 1.013 1.00 0.00 1CDR5424
+ATOM 5206 CB PRO 9 0.724 8.530 1.431 1.00 0.00 1CDR5425
+ATOM 5207 CG PRO 9 0.364 9.172 2.793 1.00 0.00 1CDR5426
+ATOM 5208 CD PRO 9 1.136 8.383 3.869 1.00 0.00 1CDR5427
+ATOM 5209 HA PRO 9 2.026 6.842 1.111 1.00 0.00 1CDR5428
+ATOM 5210 1HB PRO 9 0.852 9.295 0.677 1.00 0.00 1CDR5429
+ATOM 5211 2HB PRO 9 -0.055 7.843 1.138 1.00 0.00 1CDR5430
+ATOM 5212 1HG PRO 9 0.666 10.211 2.802 1.00 0.00 1CDR5431
+ATOM 5213 2HG PRO 9 -0.696 9.091 2.972 1.00 0.00 1CDR5432
+ATOM 5214 1HD PRO 9 1.671 9.058 4.521 1.00 0.00 1CDR5433
+ATOM 5215 2HD PRO 9 0.463 7.758 4.436 1.00 0.00 1CDR5434
+ATOM 5216 N THR 10 4.370 7.992 1.052 1.00 0.00 1CDR5435
+ATOM 5217 CA THR 10 5.589 8.736 0.624 1.00 0.00 1CDR5436
+ATOM 5218 C THR 10 5.865 8.455 -0.856 1.00 0.00 1CDR5437
+ATOM 5219 O THR 10 5.375 7.494 -1.416 1.00 0.00 1CDR5438
+ATOM 5220 CB THR 10 6.787 8.283 1.463 1.00 0.00 1CDR5439
+ATOM 5221 OG1 THR 10 7.983 8.801 0.896 1.00 0.00 1CDR5440
+ATOM 5222 CG2 THR 10 6.849 6.755 1.487 1.00 0.00 1CDR5441
+ATOM 5223 H THR 10 4.413 7.026 1.215 1.00 0.00 1CDR5442
+ATOM 5224 HA THR 10 5.430 9.795 0.764 1.00 0.00 1CDR5443
+ATOM 5225 HB THR 10 6.678 8.650 2.471 1.00 0.00 1CDR5444
+ATOM 5226 HG1 THR 10 8.378 8.112 0.356 1.00 0.00 1CDR5445
+ATOM 5227 1HG2 THR 10 6.322 6.359 0.631 1.00 0.00 1CDR5446
+ATOM 5228 2HG2 THR 10 7.881 6.436 1.453 1.00 0.00 1CDR5447
+ATOM 5229 3HG2 THR 10 6.388 6.389 2.393 1.00 0.00 1CDR5448
+ATOM 5230 N ALA 11 6.642 9.288 -1.494 1.00 0.00 1CDR5449
+ATOM 5231 CA ALA 11 6.945 9.069 -2.938 1.00 0.00 1CDR5450
+ATOM 5232 C ALA 11 8.359 8.503 -3.086 1.00 0.00 1CDR5451
+ATOM 5233 O ALA 11 9.071 8.817 -4.020 1.00 0.00 1CDR5452
+ATOM 5234 CB ALA 11 6.848 10.400 -3.686 1.00 0.00 1CDR5453
+ATOM 5235 H ALA 11 7.026 10.057 -1.025 1.00 0.00 1CDR5454
+ATOM 5236 HA ALA 11 6.233 8.371 -3.353 1.00 0.00 1CDR5455
+ATOM 5237 1HB ALA 11 6.327 11.121 -3.074 1.00 0.00 1CDR5456
+ATOM 5238 2HB ALA 11 7.841 10.765 -3.904 1.00 0.00 1CDR5457
+ATOM 5239 3HB ALA 11 6.307 10.256 -4.610 1.00 0.00 1CDR5458
+ATOM 5240 N ASP 12 8.772 7.669 -2.173 1.00 0.00 1CDR5459
+ATOM 5241 CA ASP 12 10.138 7.083 -2.262 1.00 0.00 1CDR5460
+ATOM 5242 C ASP 12 10.270 5.964 -1.228 1.00 0.00 1CDR5461
+ATOM 5243 O ASP 12 11.323 5.744 -0.664 1.00 0.00 1CDR5462
+ATOM 5244 CB ASP 12 11.179 8.167 -1.982 1.00 0.00 1CDR5463
+ATOM 5245 CG ASP 12 12.422 7.914 -2.837 1.00 0.00 1CDR5464
+ATOM 5246 OD1 ASP 12 12.323 8.045 -4.047 1.00 0.00 1CDR5465
+ATOM 5247 OD2 ASP 12 13.453 7.595 -2.268 1.00 0.00 1CDR5466
+ATOM 5248 H ASP 12 8.183 7.428 -1.428 1.00 0.00 1CDR5467
+ATOM 5249 HA ASP 12 10.292 6.678 -3.251 1.00 0.00 1CDR5468
+ATOM 5250 1HB ASP 12 10.765 9.135 -2.227 1.00 0.00 1CDR5469
+ATOM 5251 2HB ASP 12 11.452 8.145 -0.939 1.00 0.00 1CDR5470
+ATOM 5252 N CYS 13 9.202 5.259 -0.975 1.00 0.00 1CDR5471
+ATOM 5253 CA CYS 13 9.250 4.155 0.023 1.00 0.00 1CDR5472
+ATOM 5254 C CYS 13 10.125 3.018 -0.510 1.00 0.00 1CDR5473
+ATOM 5255 O CYS 13 9.883 2.481 -1.571 1.00 0.00 1CDR5474
+ATOM 5256 CB CYS 13 7.829 3.637 0.265 1.00 0.00 1CDR5475
+ATOM 5257 SG CYS 13 7.884 2.187 1.347 1.00 0.00 1CDR5476
+ATOM 5258 H CYS 13 8.364 5.459 -1.442 1.00 0.00 1CDR5477
+ATOM 5259 HA CYS 13 9.661 4.524 0.950 1.00 0.00 1CDR5478
+ATOM 5260 1HB CYS 13 7.238 4.411 0.732 1.00 0.00 1CDR5479
+ATOM 5261 2HB CYS 13 7.382 3.363 -0.680 1.00 0.00 1CDR5480
+ATOM 5262 N LYS 14 11.144 2.648 0.219 1.00 0.00 1CDR5481
+ATOM 5263 CA LYS 14 12.033 1.546 -0.247 1.00 0.00 1CDR5482
+ATOM 5264 C LYS 14 11.837 0.316 0.644 1.00 0.00 1CDR5483
+ATOM 5265 O LYS 14 12.721 -0.504 0.791 1.00 0.00 1CDR5484
+ATOM 5266 CB LYS 14 13.493 2.000 -0.177 1.00 0.00 1CDR5485
+ATOM 5267 CG LYS 14 13.708 2.844 1.080 1.00 0.00 1CDR5486
+ATOM 5268 CD LYS 14 15.205 3.093 1.279 1.00 0.00 1CDR5487
+ATOM 5269 CE LYS 14 15.938 1.754 1.376 1.00 0.00 1CDR5488
+ATOM 5270 NZ LYS 14 17.017 1.848 2.400 1.00 0.00 1CDR5489
+ATOM 5271 H LYS 14 11.323 3.094 1.074 1.00 0.00 1CDR5490
+ATOM 5272 HA LYS 14 11.784 1.292 -1.267 1.00 0.00 1CDR5491
+ATOM 5273 1HB LYS 14 14.138 1.133 -0.143 1.00 0.00 1CDR5492
+ATOM 5274 2HB LYS 14 13.730 2.590 -1.049 1.00 0.00 1CDR5493
+ATOM 5275 1HG LYS 14 13.197 3.789 0.971 1.00 0.00 1CDR5494
+ATOM 5276 2HG LYS 14 13.316 2.319 1.939 1.00 0.00 1CDR5495
+ATOM 5277 1HD LYS 14 15.590 3.655 0.440 1.00 0.00 1CDR5496
+ATOM 5278 2HD LYS 14 15.360 3.652 2.190 1.00 0.00 1CDR5497
+ATOM 5279 1HE LYS 14 15.239 0.980 1.659 1.00 0.00 1CDR5498
+ATOM 5280 2HE LYS 14 16.373 1.510 0.416 1.00 0.00 1CDR5499
+ATOM 5281 1HZ LYS 14 17.595 2.693 2.217 1.00 0.00 1CDR5500
+ATOM 5282 2HZ LYS 14 16.590 1.917 3.346 1.00 0.00 1CDR5501
+ATOM 5283 3HZ LYS 14 17.616 1.000 2.353 1.00 0.00 1CDR5502
+ATOM 5284 N THR 15 10.684 0.179 1.238 1.00 0.00 1CDR5503
+ATOM 5285 CA THR 15 10.432 -0.998 2.115 1.00 0.00 1CDR5504
+ATOM 5286 C THR 15 9.956 -2.176 1.264 1.00 0.00 1CDR5505
+ATOM 5287 O THR 15 8.834 -2.627 1.382 1.00 0.00 1CDR5506
+ATOM 5288 CB THR 15 9.358 -0.649 3.148 1.00 0.00 1CDR5507
+ATOM 5289 OG1 THR 15 9.896 0.256 4.103 1.00 0.00 1CDR5508
+ATOM 5290 CG2 THR 15 8.894 -1.924 3.856 1.00 0.00 1CDR5509
+ATOM 5291 H THR 15 9.983 0.850 1.105 1.00 0.00 1CDR5510
+ATOM 5292 HA THR 15 11.346 -1.269 2.624 1.00 0.00 1CDR5511
+ATOM 5293 HB THR 15 8.517 -0.192 2.651 1.00 0.00 1CDR5512
+ATOM 5294 HG1 THR 15 10.611 -0.189 4.564 1.00 0.00 1CDR5513
+ATOM 5295 1HG2 THR 15 9.469 -2.766 3.496 1.00 0.00 1CDR5514
+ATOM 5296 2HG2 THR 15 9.038 -1.818 4.920 1.00 0.00 1CDR5515
+ATOM 5297 3HG2 THR 15 7.847 -2.090 3.648 1.00 0.00 1CDR5516
+ATOM 5298 N ALA 16 10.799 -2.679 0.405 1.00 0.00 1CDR5517
+ATOM 5299 CA ALA 16 10.393 -3.828 -0.452 1.00 0.00 1CDR5518
+ATOM 5300 C ALA 16 9.964 -4.997 0.437 1.00 0.00 1CDR5519
+ATOM 5301 O ALA 16 10.728 -5.489 1.241 1.00 0.00 1CDR5520
+ATOM 5302 CB ALA 16 11.573 -4.258 -1.324 1.00 0.00 1CDR5521
+ATOM 5303 H ALA 16 11.701 -2.303 0.325 1.00 0.00 1CDR5522
+ATOM 5304 HA ALA 16 9.567 -3.533 -1.083 1.00 0.00 1CDR5523
+ATOM 5305 1HB ALA 16 12.481 -4.235 -0.736 1.00 0.00 1CDR5524
+ATOM 5306 2HB ALA 16 11.405 -5.261 -1.687 1.00 0.00 1CDR5525
+ATOM 5307 3HB ALA 16 11.668 -3.583 -2.160 1.00 0.00 1CDR5526
+ATOM 5308 N VAL 17 8.748 -5.446 0.297 1.00 0.00 1CDR5527
+ATOM 5309 CA VAL 17 8.272 -6.583 1.133 1.00 0.00 1CDR5528
+ATOM 5310 C VAL 17 7.142 -7.308 0.402 1.00 0.00 1CDR5529
+ATOM 5311 O VAL 17 6.351 -6.701 -0.293 1.00 0.00 1CDR5530
+ATOM 5312 CB VAL 17 7.756 -6.052 2.472 1.00 0.00 1CDR5531
+ATOM 5313 CG1 VAL 17 6.793 -4.890 2.226 1.00 0.00 1CDR5532
+ATOM 5314 CG2 VAL 17 7.022 -7.173 3.214 1.00 0.00 1CDR5533
+ATOM 5315 H VAL 17 8.146 -5.034 -0.359 1.00 0.00 1CDR5534
+ATOM 5316 HA VAL 17 9.088 -7.269 1.306 1.00 0.00 1CDR5535
+ATOM 5317 HB VAL 17 8.589 -5.709 3.068 1.00 0.00 1CDR5536
+ATOM 5318 1HG1 VAL 17 6.805 -4.627 1.178 1.00 0.00 1CDR5537
+ATOM 5319 2HG1 VAL 17 5.794 -5.183 2.512 1.00 0.00 1CDR5538
+ATOM 5320 3HG1 VAL 17 7.100 -4.037 2.814 1.00 0.00 1CDR5539
+ATOM 5321 1HG2 VAL 17 7.391 -8.130 2.876 1.00 0.00 1CDR5540
+ATOM 5322 2HG2 VAL 17 7.193 -7.075 4.275 1.00 0.00 1CDR5541
+ATOM 5323 3HG2 VAL 17 5.963 -7.103 3.011 1.00 0.00 1CDR5542
+ATOM 5324 N ASN 18 7.055 -8.600 0.552 1.00 0.00 1 1CDR5543
+ATOM 5325 CA ASN 18 5.966 -9.347 -0.139 1.00 0.00 1 1CDR5544
+ATOM 5326 C ASN 18 4.707 -9.310 0.725 1.00 0.00 1 1CDR5545
+ATOM 5327 O ASN 18 4.736 -9.624 1.898 1.00 0.00 1 1CDR5546
+ATOM 5328 CB ASN 18 6.379 -10.804 -0.393 1.00 0.00 1 1CDR5547
+ATOM 5329 CG ASN 18 7.337 -11.286 0.698 1.00 0.00 1 1CDR5548
+ATOM 5330 OD1 ASN 18 6.935 -11.926 1.649 1.00 0.00 1 1CDR5549
+ATOM 5331 ND2 ASN 18 8.602 -10.982 0.559 1.00 0.00 1 1CDR5550
+ATOM 5332 H ASN 18 7.699 -9.069 1.120 1.00 0.00 1 1CDR5551
+ATOM 5333 HA ASN 18 5.757 -8.868 -1.082 1.00 0.00 1 1CDR5552
+ATOM 5334 1HB ASN 18 5.498 -11.430 -0.396 1.00 0.00 1 1CDR5553
+ATOM 5335 2HB ASN 18 6.869 -10.873 -1.353 1.00 0.00 1 1CDR5554
+ATOM 5336 HD2 ASN 18 8.894 -10.465 -0.222 1.00 0.00 1 1CDR5555
+ATOM 5337 N CYS 19 3.601 -8.923 0.152 1.00 0.00 1CDR5556
+ATOM 5338 CA CYS 19 2.338 -8.861 0.945 1.00 0.00 1CDR5557
+ATOM 5339 C CYS 19 1.453 -10.062 0.599 1.00 0.00 1CDR5558
+ATOM 5340 O CYS 19 1.124 -10.863 1.451 1.00 0.00 1CDR5559
+ATOM 5341 CB CYS 19 1.582 -7.554 0.652 1.00 0.00 1CDR5560
+ATOM 5342 SG CYS 19 1.759 -7.092 -1.092 1.00 0.00 1CDR5561
+ATOM 5343 H CYS 19 3.606 -8.676 -0.795 1.00 0.00 1CDR5562
+ATOM 5344 HA CYS 19 2.584 -8.899 1.996 1.00 0.00 1CDR5563
+ATOM 5345 1HB CYS 19 0.535 -7.690 0.879 1.00 0.00 1CDR5564
+ATOM 5346 2HB CYS 19 1.980 -6.765 1.274 1.00 0.00 1CDR5565
+ATOM 5347 N SER 20 1.068 -10.197 -0.642 1.00 0.00 1CDR5566
+ATOM 5348 CA SER 20 0.206 -11.347 -1.040 1.00 0.00 1CDR5567
+ATOM 5349 C SER 20 -0.875 -11.571 0.020 1.00 0.00 1CDR5568
+ATOM 5350 O SER 20 -1.123 -10.726 0.857 1.00 0.00 1CDR5569
+ATOM 5351 CB SER 20 1.064 -12.606 -1.170 1.00 0.00 1CDR5570
+ATOM 5352 OG SER 20 0.838 -13.196 -2.443 1.00 0.00 1CDR5571
+ATOM 5353 H SER 20 1.348 -9.542 -1.314 1.00 0.00 1CDR5572
+ATOM 5354 HA SER 20 -0.262 -11.132 -1.988 1.00 0.00 1CDR5573
+ATOM 5355 1HB SER 20 2.106 -12.346 -1.079 1.00 0.00 1CDR5574
+ATOM 5356 2HB SER 20 0.800 -13.304 -0.386 1.00 0.00 1CDR5575
+ATOM 5357 HG SER 20 1.684 -13.496 -2.785 1.00 0.00 1CDR5576
+ATOM 5358 N SER 21 -1.522 -12.704 -0.010 1.00 0.00 1CDR5577
+ATOM 5359 CA SER 21 -2.587 -12.985 0.997 1.00 0.00 1CDR5578
+ATOM 5360 C SER 21 -3.860 -12.212 0.636 1.00 0.00 1CDR5579
+ATOM 5361 O SER 21 -4.875 -12.338 1.291 1.00 0.00 1CDR5580
+ATOM 5362 CB SER 21 -2.107 -12.553 2.382 1.00 0.00 1CDR5581
+ATOM 5363 OG SER 21 -2.815 -13.287 3.372 1.00 0.00 1CDR5582
+ATOM 5364 H SER 21 -1.307 -13.373 -0.693 1.00 0.00 1CDR5583
+ATOM 5365 HA SER 21 -2.801 -14.043 1.005 1.00 0.00 1CDR5584
+ATOM 5366 1HB SER 21 -1.053 -12.752 2.478 1.00 0.00 1CDR5585
+ATOM 5367 2HB SER 21 -2.286 -11.492 2.510 1.00 0.00 1CDR5586
+ATOM 5368 HG SER 21 -2.281 -13.302 4.169 1.00 0.00 1CDR5587
+ATOM 5369 N ASP 22 -3.814 -11.416 -0.398 1.00 0.00 1CDR5588
+ATOM 5370 CA ASP 22 -5.021 -10.637 -0.797 1.00 0.00 1CDR5589
+ATOM 5371 C ASP 22 -4.605 -9.495 -1.725 1.00 0.00 1CDR5590
+ATOM 5372 O ASP 22 -5.139 -8.405 -1.663 1.00 0.00 1CDR5591
+ATOM 5373 CB ASP 22 -5.694 -10.060 0.450 1.00 0.00 1CDR5592
+ATOM 5374 CG ASP 22 -6.955 -10.865 0.770 1.00 0.00 1CDR5593
+ATOM 5375 OD1 ASP 22 -7.055 -11.983 0.294 1.00 0.00 1CDR5594
+ATOM 5376 OD2 ASP 22 -7.797 -10.351 1.487 1.00 0.00 1CDR5595
+ATOM 5377 H ASP 22 -2.986 -11.330 -0.913 1.00 0.00 1CDR5596
+ATOM 5378 HA ASP 22 -5.715 -11.285 -1.312 1.00 0.00 1CDR5597
+ATOM 5379 1HB ASP 22 -5.009 -10.113 1.285 1.00 0.00 1CDR5598
+ATOM 5380 2HB ASP 22 -5.963 -9.030 0.271 1.00 0.00 1CDR5599
+ATOM 5381 N PHE 23 -3.653 -9.734 -2.584 1.00 0.00 1CDR5600
+ATOM 5382 CA PHE 23 -3.199 -8.662 -3.514 1.00 0.00 1CDR5601
+ATOM 5383 C PHE 23 -2.619 -9.297 -4.778 1.00 0.00 1CDR5602
+ATOM 5384 O PHE 23 -1.597 -9.954 -4.741 1.00 0.00 1CDR5603
+ATOM 5385 CB PHE 23 -2.125 -7.816 -2.828 1.00 0.00 1CDR5604
+ATOM 5386 CG PHE 23 -2.499 -7.605 -1.380 1.00 0.00 1CDR5605
+ATOM 5387 CD1 PHE 23 -3.372 -6.569 -1.026 1.00 0.00 1CDR5606
+ATOM 5388 CD2 PHE 23 -1.974 -8.445 -0.391 1.00 0.00 1CDR5607
+ATOM 5389 CE1 PHE 23 -3.719 -6.374 0.316 1.00 0.00 1CDR5608
+ATOM 5390 CE2 PHE 23 -2.320 -8.250 0.951 1.00 0.00 1CDR5609
+ATOM 5391 CZ PHE 23 -3.194 -7.214 1.304 1.00 0.00 1CDR5610
+ATOM 5392 H PHE 23 -3.234 -10.620 -2.618 1.00 0.00 1CDR5611
+ATOM 5393 HA PHE 23 -4.038 -8.035 -3.777 1.00 0.00 1CDR5612
+ATOM 5394 1HB PHE 23 -1.175 -8.326 -2.884 1.00 0.00 1CDR5613
+ATOM 5395 2HB PHE 23 -2.050 -6.859 -3.323 1.00 0.00 1CDR5614
+ATOM 5396 HD1 PHE 23 -3.779 -5.921 -1.789 1.00 0.00 1CDR5615
+ATOM 5397 HD2 PHE 23 -1.300 -9.245 -0.664 1.00 0.00 1CDR5616
+ATOM 5398 HE1 PHE 23 -4.393 -5.574 0.588 1.00 0.00 1CDR5617
+ATOM 5399 HE2 PHE 23 -1.916 -8.897 1.714 1.00 0.00 1CDR5618
+ATOM 5400 HZ PHE 23 -3.462 -7.063 2.340 1.00 0.00 1CDR5619
+ATOM 5401 N ASP 24 -3.261 -9.107 -5.897 1.00 0.00 1CDR5620
+ATOM 5402 CA ASP 24 -2.744 -9.701 -7.162 1.00 0.00 1CDR5621
+ATOM 5403 C ASP 24 -2.412 -8.581 -8.151 1.00 0.00 1CDR5622
+ATOM 5404 O ASP 24 -2.222 -8.815 -9.327 1.00 0.00 1CDR5623
+ATOM 5405 CB ASP 24 -3.809 -10.617 -7.769 1.00 0.00 1CDR5624
+ATOM 5406 CG ASP 24 -3.823 -11.950 -7.020 1.00 0.00 1CDR5625
+ATOM 5407 OD1 ASP 24 -3.682 -11.927 -5.808 1.00 0.00 1CDR5626
+ATOM 5408 OD2 ASP 24 -3.975 -12.970 -7.670 1.00 0.00 1CDR5627
+ATOM 5409 H ASP 24 -4.083 -8.574 -5.906 1.00 0.00 1CDR5628
+ATOM 5410 HA ASP 24 -1.852 -10.273 -6.954 1.00 0.00 1CDR5629
+ATOM 5411 1HB ASP 24 -4.778 -10.146 -7.686 1.00 0.00 1CDR5630
+ATOM 5412 2HB ASP 24 -3.582 -10.793 -8.809 1.00 0.00 1CDR5631
+ATOM 5413 N ALA 25 -2.343 -7.366 -7.681 1.00 0.00 1CDR5632
+ATOM 5414 CA ALA 25 -2.026 -6.233 -8.594 1.00 0.00 1CDR5633
+ATOM 5415 C ALA 25 -1.327 -5.122 -7.809 1.00 0.00 1CDR5634
+ATOM 5416 O ALA 25 -1.950 -4.390 -7.065 1.00 0.00 1CDR5635
+ATOM 5417 CB ALA 25 -3.325 -5.687 -9.194 1.00 0.00 1CDR5636
+ATOM 5418 H ALA 25 -2.502 -7.198 -6.729 1.00 0.00 1CDR5637
+ATOM 5419 HA ALA 25 -1.379 -6.576 -9.387 1.00 0.00 1CDR5638
+ATOM 5420 1HB ALA 25 -4.167 -6.055 -8.626 1.00 0.00 1CDR5639
+ATOM 5421 2HB ALA 25 -3.313 -4.608 -9.159 1.00 0.00 1CDR5640
+ATOM 5422 3HB ALA 25 -3.413 -6.013 -10.219 1.00 0.00 1CDR5641
+ATOM 5423 N CYS 26 -0.039 -4.976 -7.973 1.00 0.00 1CDR5642
+ATOM 5424 CA CYS 26 0.676 -3.897 -7.238 1.00 0.00 1CDR5643
+ATOM 5425 C CYS 26 -0.025 -2.576 -7.537 1.00 0.00 1CDR5644
+ATOM 5426 O CYS 26 -0.512 -2.362 -8.628 1.00 0.00 1CDR5645
+ATOM 5427 CB CYS 26 2.133 -3.830 -7.703 1.00 0.00 1CDR5646
+ATOM 5428 SG CYS 26 3.180 -3.283 -6.332 1.00 0.00 1CDR5647
+ATOM 5429 H CYS 26 0.450 -5.565 -8.585 1.00 0.00 1CDR5648
+ATOM 5430 HA CYS 26 0.638 -4.095 -6.176 1.00 0.00 1CDR5649
+ATOM 5431 1HB CYS 26 2.452 -4.809 -8.030 1.00 0.00 1CDR5650
+ATOM 5432 2HB CYS 26 2.218 -3.131 -8.523 1.00 0.00 1CDR5651
+ATOM 5433 N LEU 27 -0.115 -1.692 -6.585 1.00 0.00 1CDR5652
+ATOM 5434 CA LEU 27 -0.825 -0.415 -6.859 1.00 0.00 1CDR5653
+ATOM 5435 C LEU 27 0.086 0.785 -6.612 1.00 0.00 1CDR5654
+ATOM 5436 O LEU 27 0.686 0.929 -5.566 1.00 0.00 1CDR5655
+ATOM 5437 CB LEU 27 -2.053 -0.330 -5.957 1.00 0.00 1CDR5656
+ATOM 5438 CG LEU 27 -2.717 1.036 -6.103 1.00 0.00 1CDR5657
+ATOM 5439 CD1 LEU 27 -3.953 0.901 -6.994 1.00 0.00 1CDR5658
+ATOM 5440 CD2 LEU 27 -3.136 1.541 -4.721 1.00 0.00 1CDR5659
+ATOM 5441 H LEU 27 0.261 -1.873 -5.694 1.00 0.00 1CDR5660
+ATOM 5442 HA LEU 27 -1.147 -0.406 -7.890 1.00 0.00 1CDR5661
+ATOM 5443 1HB LEU 27 -2.752 -1.098 -6.248 1.00 0.00 1CDR5662
+ATOM 5444 2HB LEU 27 -1.757 -0.479 -4.929 1.00 0.00 1CDR5663
+ATOM 5445 HG LEU 27 -2.024 1.735 -6.550 1.00 0.00 1CDR5664
+ATOM 5446 1HD1 LEU 27 -4.532 0.045 -6.679 1.00 0.00 1CDR5665
+ATOM 5447 2HD1 LEU 27 -4.556 1.792 -6.915 1.00 0.00 1CDR5666
+ATOM 5448 3HD1 LEU 27 -3.643 0.765 -8.021 1.00 0.00 1CDR5667
+ATOM 5449 1HD2 LEU 27 -2.595 0.995 -3.959 1.00 0.00 1CDR5668
+ATOM 5450 2HD2 LEU 27 -2.911 2.594 -4.637 1.00 0.00 1CDR5669
+ATOM 5451 3HD2 LEU 27 -4.196 1.388 -4.587 1.00 0.00 1CDR5670
+ATOM 5452 N ILE 28 0.166 1.658 -7.576 1.00 0.00 1CDR5671
+ATOM 5453 CA ILE 28 1.004 2.875 -7.428 1.00 0.00 1CDR5672
+ATOM 5454 C ILE 28 0.121 4.095 -7.685 1.00 0.00 1CDR5673
+ATOM 5455 O ILE 28 -0.002 4.566 -8.800 1.00 0.00 1CDR5674
+ATOM 5456 CB ILE 28 2.149 2.840 -8.442 1.00 0.00 1CDR5675
+ATOM 5457 CG1 ILE 28 2.789 4.227 -8.538 1.00 0.00 1CDR5676
+ATOM 5458 CG2 ILE 28 1.608 2.437 -9.814 1.00 0.00 1CDR5677
+ATOM 5459 CD1 ILE 28 4.272 4.082 -8.882 1.00 0.00 1CDR5678
+ATOM 5460 H ILE 28 -0.345 1.519 -8.400 1.00 0.00 1CDR5679
+ATOM 5461 HA ILE 28 1.402 2.920 -6.426 1.00 0.00 1CDR5680
+ATOM 5462 HB ILE 28 2.891 2.121 -8.123 1.00 0.00 1CDR5681
+ATOM 5463 1HG1 ILE 28 2.293 4.799 -9.309 1.00 0.00 1CDR5682
+ATOM 5464 2HG1 ILE 28 2.689 4.736 -7.591 1.00 0.00 1CDR5683
+ATOM 5465 1HG2 ILE 28 0.543 2.614 -9.848 1.00 0.00 1CDR5684
+ATOM 5466 2HG2 ILE 28 2.095 3.022 -10.580 1.00 0.00 1CDR5685
+ATOM 5467 3HG2 ILE 28 1.803 1.388 -9.985 1.00 0.00 1CDR5686
+ATOM 5468 1HD1 ILE 28 4.444 3.117 -9.334 1.00 0.00 1CDR5687
+ATOM 5469 2HD1 ILE 28 4.558 4.860 -9.574 1.00 0.00 1CDR5688
+ATOM 5470 3HD1 ILE 28 4.861 4.169 -7.980 1.00 0.00 1CDR5689
+ATOM 5471 N THR 29 -0.515 4.596 -6.663 1.00 0.00 1CDR5690
+ATOM 5472 CA THR 29 -1.408 5.773 -6.841 1.00 0.00 1CDR5691
+ATOM 5473 C THR 29 -0.633 7.055 -6.543 1.00 0.00 1CDR5692
+ATOM 5474 O THR 29 0.304 7.062 -5.770 1.00 0.00 1CDR5693
+ATOM 5475 CB THR 29 -2.597 5.648 -5.883 1.00 0.00 1CDR5694
+ATOM 5476 OG1 THR 29 -3.494 4.660 -6.373 1.00 0.00 1CDR5695
+ATOM 5477 CG2 THR 29 -3.325 6.990 -5.777 1.00 0.00 1CDR5696
+ATOM 5478 H THR 29 -0.413 4.188 -5.777 1.00 0.00 1CDR5697
+ATOM 5479 HA THR 29 -1.768 5.800 -7.859 1.00 0.00 1CDR5698
+ATOM 5480 HB THR 29 -2.242 5.358 -4.906 1.00 0.00 1CDR5699
+ATOM 5481 HG1 THR 29 -2.984 4.017 -6.871 1.00 0.00 1CDR5700
+ATOM 5482 1HG2 THR 29 -3.177 7.554 -6.686 1.00 0.00 1CDR5701
+ATOM 5483 2HG2 THR 29 -4.380 6.817 -5.630 1.00 0.00 1CDR5702
+ATOM 5484 3HG2 THR 29 -2.931 7.547 -4.940 1.00 0.00 1CDR5703
+ATOM 5485 N LYS 30 -1.015 8.141 -7.155 1.00 0.00 1CDR5704
+ATOM 5486 CA LYS 30 -0.301 9.425 -6.910 1.00 0.00 1CDR5705
+ATOM 5487 C LYS 30 -1.305 10.577 -6.949 1.00 0.00 1CDR5706
+ATOM 5488 O LYS 30 -1.522 11.192 -7.975 1.00 0.00 1CDR5707
+ATOM 5489 CB LYS 30 0.758 9.632 -7.994 1.00 0.00 1CDR5708
+ATOM 5490 CG LYS 30 2.101 9.960 -7.338 1.00 0.00 1CDR5709
+ATOM 5491 CD LYS 30 2.959 10.768 -8.314 1.00 0.00 1CDR5710
+ATOM 5492 CE LYS 30 4.438 10.590 -7.965 1.00 0.00 1CDR5711
+ATOM 5493 NZ LYS 30 5.125 9.860 -9.068 1.00 0.00 1CDR5712
+ATOM 5494 H LYS 30 -1.771 8.112 -7.777 1.00 0.00 1CDR5713
+ATOM 5495 HA LYS 30 0.174 9.395 -5.941 1.00 0.00 1CDR5714
+ATOM 5496 1HB LYS 30 0.854 8.729 -8.579 1.00 0.00 1CDR5715
+ATOM 5497 2HB LYS 30 0.463 10.448 -8.635 1.00 0.00 1CDR5716
+ATOM 5498 1HG LYS 30 1.931 10.538 -6.442 1.00 0.00 1CDR5717
+ATOM 5499 2HG LYS 30 2.612 9.043 -7.085 1.00 0.00 1CDR5718
+ATOM 5500 1HD LYS 30 2.781 10.421 -9.321 1.00 0.00 1CDR5719
+ATOM 5501 2HD LYS 30 2.698 11.813 -8.242 1.00 0.00 1CDR5720
+ATOM 5502 1HE LYS 30 4.896 11.560 -7.835 1.00 0.00 1CDR5721
+ATOM 5503 2HE LYS 30 4.526 10.024 -7.049 1.00 0.00 1CDR5722
+ATOM 5504 1HZ LYS 30 4.415 9.421 -9.688 1.00 0.00 1CDR5723
+ATOM 5505 2HZ LYS 30 5.699 10.527 -9.620 1.00 0.00 1CDR5724
+ATOM 5506 3HZ LYS 30 5.739 9.123 -8.665 1.00 0.00 1CDR5725
+ATOM 5507 N ALA 31 -1.919 10.874 -5.838 1.00 0.00 1CDR5726
+ATOM 5508 CA ALA 31 -2.910 11.987 -5.810 1.00 0.00 1CDR5727
+ATOM 5509 C ALA 31 -2.177 13.321 -5.961 1.00 0.00 1CDR5728
+ATOM 5510 O ALA 31 -1.017 13.366 -6.320 1.00 0.00 1CDR5729
+ATOM 5511 CB ALA 31 -3.664 11.962 -4.479 1.00 0.00 1CDR5730
+ATOM 5512 H ALA 31 -1.729 10.365 -5.024 1.00 0.00 1CDR5731
+ATOM 5513 HA ALA 31 -3.610 11.866 -6.623 1.00 0.00 1CDR5732
+ATOM 5514 1HB ALA 31 -3.976 10.951 -4.260 1.00 0.00 1CDR5733
+ATOM 5515 2HB ALA 31 -3.016 12.317 -3.691 1.00 0.00 1CDR5734
+ATOM 5516 3HB ALA 31 -4.532 12.601 -4.545 1.00 0.00 1CDR5735
+ATOM 5517 N GLY 32 -2.842 14.411 -5.690 1.00 0.00 1CDR5736
+ATOM 5518 CA GLY 32 -2.179 15.740 -5.822 1.00 0.00 1CDR5737
+ATOM 5519 C GLY 32 -1.649 16.185 -4.459 1.00 0.00 1CDR5738
+ATOM 5520 O GLY 32 -1.683 17.352 -4.121 1.00 0.00 1CDR5739
+ATOM 5521 H GLY 32 -3.778 14.355 -5.403 1.00 0.00 1CDR5740
+ATOM 5522 1HA GLY 32 -1.359 15.663 -6.521 1.00 0.00 1CDR5741
+ATOM 5523 2HA GLY 32 -2.893 16.464 -6.181 1.00 0.00 1CDR5742
+ATOM 5524 N LEU 33 -1.159 15.269 -3.670 1.00 0.00 1CDR5743
+ATOM 5525 CA LEU 33 -0.628 15.648 -2.330 1.00 0.00 1CDR5744
+ATOM 5526 C LEU 33 0.463 14.660 -1.913 1.00 0.00 1CDR5745
+ATOM 5527 O LEU 33 1.594 15.034 -1.676 1.00 0.00 1CDR5746
+ATOM 5528 CB LEU 33 -1.763 15.616 -1.305 1.00 0.00 1CDR5747
+ATOM 5529 CG LEU 33 -1.609 16.788 -0.335 1.00 0.00 1CDR5748
+ATOM 5530 CD1 LEU 33 -1.943 18.094 -1.057 1.00 0.00 1CDR5749
+ATOM 5531 CD2 LEU 33 -2.562 16.602 0.848 1.00 0.00 1CDR5750
+ATOM 5532 H LEU 33 -1.140 14.332 -3.959 1.00 0.00 1CDR5751
+ATOM 5533 HA LEU 33 -0.214 16.644 -2.376 1.00 0.00 1CDR5752
+ATOM 5534 1HB LEU 33 -2.712 15.692 -1.815 1.00 0.00 1CDR5753
+ATOM 5535 2HB LEU 33 -1.724 14.688 -0.754 1.00 0.00 1CDR5754
+ATOM 5536 HG LEU 33 -0.590 16.827 0.023 1.00 0.00 1CDR5755
+ATOM 5537 1HD1 LEU 33 -1.418 18.127 -2.001 1.00 0.00 1CDR5756
+ATOM 5538 2HD1 LEU 33 -3.007 18.145 -1.235 1.00 0.00 1CDR5757
+ATOM 5539 3HD1 LEU 33 -1.637 18.931 -0.446 1.00 0.00 1CDR5758
+ATOM 5540 1HD2 LEU 33 -2.553 15.567 1.158 1.00 0.00 1CDR5759
+ATOM 5541 2HD2 LEU 33 -2.243 17.226 1.670 1.00 0.00 1CDR5760
+ATOM 5542 3HD2 LEU 33 -3.563 16.880 0.552 1.00 0.00 1CDR5761
+ATOM 5543 N GLN 34 0.133 13.401 -1.818 1.00 0.00 1CDR5762
+ATOM 5544 CA GLN 34 1.152 12.392 -1.411 1.00 0.00 1CDR5763
+ATOM 5545 C GLN 34 1.052 11.164 -2.319 1.00 0.00 1CDR5764
+ATOM 5546 O GLN 34 0.208 11.091 -3.192 1.00 0.00 1CDR5765
+ATOM 5547 CB GLN 34 0.898 11.975 0.040 1.00 0.00 1CDR5766
+ATOM 5548 CG GLN 34 1.284 13.122 0.977 1.00 0.00 1CDR5767
+ATOM 5549 CD GLN 34 0.019 13.831 1.465 1.00 0.00 1CDR5768
+ATOM 5550 OE1 GLN 34 -0.398 14.818 0.893 1.00 0.00 1CDR5769
+ATOM 5551 NE2 GLN 34 -0.615 13.366 2.507 1.00 0.00 1CDR5770
+ATOM 5552 H GLN 34 -0.786 13.120 -2.011 1.00 0.00 1CDR5771
+ATOM 5553 HA GLN 34 2.139 12.821 -1.495 1.00 0.00 1CDR5772
+ATOM 5554 1HB GLN 34 -0.149 11.742 0.169 1.00 0.00 1CDR5773
+ATOM 5555 2HB GLN 34 1.493 11.105 0.274 1.00 0.00 1CDR5774
+ATOM 5556 1HG GLN 34 1.826 12.727 1.823 1.00 0.00 1CDR5775
+ATOM 5557 2HG GLN 34 1.907 13.827 0.445 1.00 0.00 1CDR5776
+ATOM 5558 1HE2 GLN 34 -1.426 13.813 2.828 1.00 0.00 1CDR5777
+ATOM 5559 2HE2 GLN 34 -0.279 12.569 2.970 1.00 0.00 1CDR5778
+ATOM 5560 N VAL 35 1.907 10.196 -2.120 1.00 0.00 1CDR5779
+ATOM 5561 CA VAL 35 1.864 8.971 -2.969 1.00 0.00 1CDR5780
+ATOM 5562 C VAL 35 1.378 7.786 -2.130 1.00 0.00 1CDR5781
+ATOM 5563 O VAL 35 1.655 7.694 -0.951 1.00 0.00 1CDR5782
+ATOM 5564 CB VAL 35 3.268 8.675 -3.506 1.00 0.00 1CDR5783
+ATOM 5565 CG1 VAL 35 3.236 7.403 -4.356 1.00 0.00 1CDR5784
+ATOM 5566 CG2 VAL 35 3.744 9.848 -4.366 1.00 0.00 1CDR5785
+ATOM 5567 H VAL 35 2.578 10.277 -1.411 1.00 0.00 1CDR5786
+ATOM 5568 HA VAL 35 1.188 9.130 -3.797 1.00 0.00 1CDR5787
+ATOM 5569 HB VAL 35 3.946 8.536 -2.676 1.00 0.00 1CDR5788
+ATOM 5570 1HG1 VAL 35 2.335 6.848 -4.143 1.00 0.00 1CDR5789
+ATOM 5571 2HG1 VAL 35 3.256 7.669 -5.403 1.00 0.00 1CDR5790
+ATOM 5572 3HG1 VAL 35 4.097 6.794 -4.124 1.00 0.00 1CDR5791
+ATOM 5573 1HG2 VAL 35 2.911 10.499 -4.582 1.00 0.00 1CDR5792
+ATOM 5574 2HG2 VAL 35 4.504 10.399 -3.832 1.00 0.00 1CDR5793
+ATOM 5575 3HG2 VAL 35 4.155 9.472 -5.292 1.00 0.00 1CDR5794
+ATOM 5576 N TYR 36 0.656 6.878 -2.729 1.00 0.00 1CDR5795
+ATOM 5577 CA TYR 36 0.153 5.699 -1.967 1.00 0.00 1CDR5796
+ATOM 5578 C TYR 36 0.796 4.423 -2.521 1.00 0.00 1CDR5797
+ATOM 5579 O TYR 36 0.516 4.007 -3.628 1.00 0.00 1CDR5798
+ATOM 5580 CB TYR 36 -1.367 5.611 -2.112 1.00 0.00 1CDR5799
+ATOM 5581 CG TYR 36 -2.020 6.665 -1.248 1.00 0.00 1CDR5800
+ATOM 5582 CD1 TYR 36 -1.866 8.022 -1.560 1.00 0.00 1CDR5801
+ATOM 5583 CD2 TYR 36 -2.780 6.286 -0.134 1.00 0.00 1CDR5802
+ATOM 5584 CE1 TYR 36 -2.472 8.998 -0.759 1.00 0.00 1CDR5803
+ATOM 5585 CE2 TYR 36 -3.385 7.262 0.667 1.00 0.00 1CDR5804
+ATOM 5586 CZ TYR 36 -3.231 8.618 0.355 1.00 0.00 1CDR5805
+ATOM 5587 OH TYR 36 -3.828 9.581 1.143 1.00 0.00 1CDR5806
+ATOM 5588 H TYR 36 0.445 6.971 -3.681 1.00 0.00 1CDR5807
+ATOM 5589 HA TYR 36 0.410 5.808 -0.925 1.00 0.00 1CDR5808
+ATOM 5590 1HB TYR 36 -1.640 5.774 -3.145 1.00 0.00 1CDR5809
+ATOM 5591 2HB TYR 36 -1.702 4.634 -1.801 1.00 0.00 1CDR5810
+ATOM 5592 HD1 TYR 36 -1.280 8.316 -2.419 1.00 0.00 1CDR5811
+ATOM 5593 HD2 TYR 36 -2.899 5.240 0.109 1.00 0.00 1CDR5812
+ATOM 5594 HE1 TYR 36 -2.353 10.044 -1.000 1.00 0.00 1CDR5813
+ATOM 5595 HE2 TYR 36 -3.970 6.970 1.526 1.00 0.00 1CDR5814
+ATOM 5596 HH TYR 36 -3.448 9.520 2.023 1.00 0.00 1CDR5815
+ATOM 5597 N ASN 37 1.656 3.799 -1.762 1.00 0.00 1CDR5816
+ATOM 5598 CA ASN 37 2.315 2.553 -2.249 1.00 0.00 1CDR5817
+ATOM 5599 C ASN 37 1.778 1.350 -1.469 1.00 0.00 1CDR5818
+ATOM 5600 O ASN 37 2.261 1.028 -0.401 1.00 0.00 1CDR5819
+ATOM 5601 CB ASN 37 3.827 2.659 -2.040 1.00 0.00 1CDR5820
+ATOM 5602 CG ASN 37 4.293 4.074 -2.388 1.00 0.00 1CDR5821
+ATOM 5603 OD1 ASN 37 3.841 5.036 -1.801 1.00 0.00 1CDR5822
+ATOM 5604 ND2 ASN 37 5.186 4.240 -3.326 1.00 0.00 1CDR5823
+ATOM 5605 H ASN 37 1.869 4.151 -0.872 1.00 0.00 1CDR5824
+ATOM 5606 HA ASN 37 2.105 2.422 -3.300 1.00 0.00 1CDR5825
+ATOM 5607 1HB ASN 37 4.064 2.445 -1.008 1.00 0.00 1CDR5826
+ATOM 5608 2HB ASN 37 4.330 1.950 -2.679 1.00 0.00 1CDR5827
+ATOM 5609 1HD2 ASN 37 5.490 5.142 -3.558 1.00 0.00 1CDR5828
+ATOM 5610 2HD2 ASN 37 5.550 3.463 -3.799 1.00 0.00 1CDR5829
+ATOM 5611 N LYS 38 0.785 0.684 -1.993 1.00 0.00 1CDR5830
+ATOM 5612 CA LYS 38 0.219 -0.495 -1.278 1.00 0.00 1CDR5831
+ATOM 5613 C LYS 38 -0.161 -1.583 -2.284 1.00 0.00 1CDR5832
+ATOM 5614 O LYS 38 -0.311 -1.337 -3.465 1.00 0.00 1CDR5833
+ATOM 5615 CB LYS 38 -1.036 -0.071 -0.508 1.00 0.00 1CDR5834
+ATOM 5616 CG LYS 38 -0.673 0.988 0.534 1.00 0.00 1CDR5835
+ATOM 5617 CD LYS 38 -1.428 2.284 0.228 1.00 0.00 1CDR5836
+ATOM 5618 CE LYS 38 -2.159 2.757 1.485 1.00 0.00 1CDR5837
+ATOM 5619 NZ LYS 38 -1.407 3.885 2.102 1.00 0.00 1CDR5838
+ATOM 5620 H LYS 38 0.411 0.961 -2.855 1.00 0.00 1CDR5839
+ATOM 5621 HA LYS 38 0.947 -0.889 -0.586 1.00 0.00 1CDR5840
+ATOM 5622 1HB LYS 38 -1.759 0.337 -1.199 1.00 0.00 1CDR5841
+ATOM 5623 2HB LYS 38 -1.461 -0.931 -0.012 1.00 0.00 1CDR5842
+ATOM 5624 1HG LYS 38 -0.950 0.634 1.517 1.00 0.00 1CDR5843
+ATOM 5625 2HG LYS 38 0.388 1.176 0.504 1.00 0.00 1CDR5844
+ATOM 5626 1HD LYS 38 -0.727 3.041 -0.089 1.00 0.00 1CDR5845
+ATOM 5627 2HD LYS 38 -2.146 2.105 -0.559 1.00 0.00 1CDR5846
+ATOM 5628 1HE LYS 38 -3.152 3.089 1.220 1.00 0.00 1CDR5847
+ATOM 5629 2HE LYS 38 -2.229 1.942 2.189 1.00 0.00 1CDR5848
+ATOM 5630 1HZ LYS 38 -0.401 3.810 1.851 1.00 0.00 1CDR5849
+ATOM 5631 2HZ LYS 38 -1.787 4.788 1.752 1.00 0.00 1CDR5850
+ATOM 5632 3HZ LYS 38 -1.507 3.844 3.136 1.00 0.00 1CDR5851
+ATOM 5633 N CYS 39 -0.333 -2.785 -1.811 1.00 0.00 1CDR5852
+ATOM 5634 CA CYS 39 -0.727 -3.897 -2.720 1.00 0.00 1CDR5853
+ATOM 5635 C CYS 39 -2.227 -3.787 -2.979 1.00 0.00 1CDR5854
+ATOM 5636 O CYS 39 -3.002 -3.561 -2.071 1.00 0.00 1CDR5855
+ATOM 5637 CB CYS 39 -0.429 -5.247 -2.062 1.00 0.00 1CDR5856
+ATOM 5638 SG CYS 39 1.145 -5.168 -1.170 1.00 0.00 1CDR5857
+ATOM 5639 H CYS 39 -0.217 -2.950 -0.854 1.00 0.00 1CDR5858
+ATOM 5640 HA CYS 39 -0.187 -3.816 -3.652 1.00 0.00 1CDR5859
+ATOM 5641 1HB CYS 39 -1.221 -5.489 -1.368 1.00 0.00 1CDR5860
+ATOM 5642 2HB CYS 39 -0.373 -6.012 -2.823 1.00 0.00 1CDR5861
+ATOM 5643 N TRP 40 -2.652 -3.929 -4.201 1.00 0.00 1CDR5862
+ATOM 5644 CA TRP 40 -4.103 -3.813 -4.481 1.00 0.00 1CDR5863
+ATOM 5645 C TRP 40 -4.557 -4.985 -5.352 1.00 0.00 1CDR5864
+ATOM 5646 O TRP 40 -3.791 -5.541 -6.114 1.00 0.00 1CDR5865
+ATOM 5647 CB TRP 40 -4.361 -2.491 -5.198 1.00 0.00 1CDR5866
+ATOM 5648 CG TRP 40 -5.733 -2.013 -4.876 1.00 0.00 1CDR5867
+ATOM 5649 CD1 TRP 40 -6.869 -2.532 -5.381 1.00 0.00 1CDR5868
+ATOM 5650 CD2 TRP 40 -6.131 -0.933 -3.985 1.00 0.00 1CDR5869
+ATOM 5651 NE1 TRP 40 -7.948 -1.841 -4.855 1.00 0.00 1CDR5870
+ATOM 5652 CE2 TRP 40 -7.542 -0.843 -3.988 1.00 0.00 1CDR5871
+ATOM 5653 CE3 TRP 40 -5.410 -0.032 -3.183 1.00 0.00 1CDR5872
+ATOM 5654 CZ2 TRP 40 -8.215 0.108 -3.220 1.00 0.00 1CDR5873
+ATOM 5655 CZ3 TRP 40 -6.083 0.928 -2.411 1.00 0.00 1CDR5874
+ATOM 5656 CH2 TRP 40 -7.483 0.997 -2.430 1.00 0.00 1CDR5875
+ATOM 5657 H TRP 40 -2.021 -4.101 -4.930 1.00 0.00 1CDR5876
+ATOM 5658 HA TRP 40 -4.650 -3.827 -3.550 1.00 0.00 1CDR5877
+ATOM 5659 1HB TRP 40 -3.644 -1.761 -4.860 1.00 0.00 1CDR5878
+ATOM 5660 2HB TRP 40 -4.265 -2.630 -6.265 1.00 0.00 1CDR5879
+ATOM 5661 HD1 TRP 40 -6.924 -3.353 -6.081 1.00 0.00 1CDR5880
+ATOM 5662 HE1 TRP 40 -8.888 -2.018 -5.059 1.00 0.00 1CDR5881
+ATOM 5663 HE3 TRP 40 -4.331 -0.077 -3.163 1.00 0.00 1CDR5882
+ATOM 5664 HZ2 TRP 40 -9.294 0.158 -3.236 1.00 0.00 1CDR5883
+ATOM 5665 HZ3 TRP 40 -5.519 1.616 -1.799 1.00 0.00 1CDR5884
+ATOM 5666 HH2 TRP 40 -7.995 1.738 -1.834 1.00 0.00 1CDR5885
+ATOM 5667 N LYS 41 -5.798 -5.370 -5.236 1.00 0.00 1CDR5886
+ATOM 5668 CA LYS 41 -6.304 -6.513 -6.047 1.00 0.00 1CDR5887
+ATOM 5669 C LYS 41 -6.623 -6.036 -7.464 1.00 0.00 1CDR5888
+ATOM 5670 O LYS 41 -6.889 -4.872 -7.695 1.00 0.00 1CDR5889
+ATOM 5671 CB LYS 41 -7.573 -7.072 -5.401 1.00 0.00 1CDR5890
+ATOM 5672 CG LYS 41 -7.778 -8.524 -5.841 1.00 0.00 1CDR5891
+ATOM 5673 CD LYS 41 -6.901 -9.443 -4.988 1.00 0.00 1CDR5892
+ATOM 5674 CE LYS 41 -7.387 -9.408 -3.537 1.00 0.00 1CDR5893
+ATOM 5675 NZ LYS 41 -8.853 -9.677 -3.497 1.00 0.00 1CDR5894
+ATOM 5676 H LYS 41 -6.397 -4.912 -4.610 1.00 0.00 1CDR5895
+ATOM 5677 HA LYS 41 -5.551 -7.286 -6.089 1.00 0.00 1CDR5896
+ATOM 5678 1HB LYS 41 -7.477 -7.030 -4.326 1.00 0.00 1CDR5897
+ATOM 5679 2HB LYS 41 -8.423 -6.482 -5.710 1.00 0.00 1CDR5898
+ATOM 5680 1HG LYS 41 -8.815 -8.794 -5.715 1.00 0.00 1CDR5899
+ATOM 5681 2HG LYS 41 -7.501 -8.629 -6.879 1.00 0.00 1CDR5900
+ATOM 5682 1HD LYS 41 -6.967 -10.454 -5.366 1.00 0.00 1CDR5901
+ATOM 5683 2HD LYS 41 -5.877 -9.108 -5.031 1.00 0.00 1CDR5902
+ATOM 5684 1HE LYS 41 -6.867 -10.164 -2.965 1.00 0.00 1CDR5903
+ATOM 5685 2HE LYS 41 -7.187 -8.435 -3.114 1.00 0.00 1CDR5904
+ATOM 5686 1HZ LYS 41 -9.099 -10.373 -4.228 1.00 0.00 1CDR5905
+ATOM 5687 2HZ LYS 41 -9.112 -10.052 -2.563 1.00 0.00 1CDR5906
+ATOM 5688 3HZ LYS 41 -9.371 -8.791 -3.671 1.00 0.00 1CDR5907
+ATOM 5689 N PHE 42 -6.606 -6.929 -8.413 1.00 0.00 1CDR5908
+ATOM 5690 CA PHE 42 -6.917 -6.533 -9.812 1.00 0.00 1CDR5909
+ATOM 5691 C PHE 42 -8.430 -6.392 -9.958 1.00 0.00 1CDR5910
+ATOM 5692 O PHE 42 -8.921 -5.711 -10.836 1.00 0.00 1CDR5911
+ATOM 5693 CB PHE 42 -6.405 -7.607 -10.773 1.00 0.00 1CDR5912
+ATOM 5694 CG PHE 42 -6.382 -7.053 -12.177 1.00 0.00 1CDR5913
+ATOM 5695 CD1 PHE 42 -5.616 -5.917 -12.467 1.00 0.00 1CDR5914
+ATOM 5696 CD2 PHE 42 -7.124 -7.675 -13.187 1.00 0.00 1CDR5915
+ATOM 5697 CE1 PHE 42 -5.595 -5.401 -13.770 1.00 0.00 1CDR5916
+ATOM 5698 CE2 PHE 42 -7.103 -7.159 -14.490 1.00 0.00 1CDR5917
+ATOM 5699 CZ PHE 42 -6.338 -6.024 -14.780 1.00 0.00 1CDR5918
+ATOM 5700 H PHE 42 -6.397 -7.863 -8.205 1.00 0.00 1CDR5919
+ATOM 5701 HA PHE 42 -6.442 -5.589 -10.036 1.00 0.00 1CDR5920
+ATOM 5702 1HB PHE 42 -5.407 -7.902 -10.485 1.00 0.00 1CDR5921
+ATOM 5703 2HB PHE 42 -7.059 -8.466 -10.737 1.00 0.00 1CDR5922
+ATOM 5704 HD1 PHE 42 -5.043 -5.438 -11.687 1.00 0.00 1CDR5923
+ATOM 5705 HD2 PHE 42 -7.715 -8.550 -12.963 1.00 0.00 1CDR5924
+ATOM 5706 HE1 PHE 42 -5.005 -4.526 -13.994 1.00 0.00 1CDR5925
+ATOM 5707 HE2 PHE 42 -7.676 -7.638 -15.269 1.00 0.00 1CDR5926
+ATOM 5708 HZ PHE 42 -6.321 -5.625 -15.784 1.00 0.00 1CDR5927
+ATOM 5709 N GLU 43 -9.172 -7.031 -9.096 1.00 0.00 1CDR5928
+ATOM 5710 CA GLU 43 -10.654 -6.932 -9.172 1.00 0.00 1CDR5929
+ATOM 5711 C GLU 43 -11.081 -5.541 -8.712 1.00 0.00 1CDR5930
+ATOM 5712 O GLU 43 -12.057 -4.990 -9.182 1.00 0.00 1CDR5931
+ATOM 5713 CB GLU 43 -11.283 -7.993 -8.266 1.00 0.00 1CDR5932
+ATOM 5714 CG GLU 43 -12.801 -7.800 -8.219 1.00 0.00 1CDR5933
+ATOM 5715 CD GLU 43 -13.446 -8.531 -9.399 1.00 0.00 1CDR5934
+ATOM 5716 OE1 GLU 43 -12.870 -8.502 -10.474 1.00 0.00 1CDR5935
+ATOM 5717 OE2 GLU 43 -14.504 -9.106 -9.207 1.00 0.00 1CDR5936
+ATOM 5718 H GLU 43 -8.752 -7.570 -8.393 1.00 0.00 1CDR5937
+ATOM 5719 HA GLU 43 -10.970 -7.088 -10.191 1.00 0.00 1CDR5938
+ATOM 5720 1HB GLU 43 -11.057 -8.976 -8.654 1.00 0.00 1CDR5939
+ATOM 5721 2HB GLU 43 -10.880 -7.900 -7.269 1.00 0.00 1CDR5940
+ATOM 5722 1HG GLU 43 -13.186 -8.202 -7.293 1.00 0.00 1CDR5941
+ATOM 5723 2HG GLU 43 -13.033 -6.748 -8.280 1.00 0.00 1CDR5942
+ATOM 5724 N HIS 44 -10.349 -4.966 -7.802 1.00 0.00 1CDR5943
+ATOM 5725 CA HIS 44 -10.697 -3.605 -7.314 1.00 0.00 1CDR5944
+ATOM 5726 C HIS 44 -9.795 -2.591 -8.017 1.00 0.00 1CDR5945
+ATOM 5727 O HIS 44 -9.620 -1.478 -7.564 1.00 0.00 1CDR5946
+ATOM 5728 CB HIS 44 -10.475 -3.534 -5.802 1.00 0.00 1CDR5947
+ATOM 5729 CG HIS 44 -11.432 -4.465 -5.111 1.00 0.00 1CDR5948
+ATOM 5730 ND1 HIS 44 -11.787 -4.307 -3.781 1.00 0.00 1CDR5949
+ATOM 5731 CD2 HIS 44 -12.120 -5.567 -5.554 1.00 0.00 1CDR5950
+ATOM 5732 CE1 HIS 44 -12.653 -5.290 -3.473 1.00 0.00 1CDR5951
+ATOM 5733 NE2 HIS 44 -12.890 -6.086 -4.519 1.00 0.00 1CDR5952
+ATOM 5734 H HIS 44 -9.561 -5.427 -7.445 1.00 0.00 1CDR5953
+ATOM 5735 HA HIS 44 -11.730 -3.390 -7.540 1.00 0.00 1CDR5954
+ATOM 5736 1HB HIS 44 -9.460 -3.825 -5.573 1.00 0.00 1CDR5955
+ATOM 5737 2HB HIS 44 -10.646 -2.523 -5.460 1.00 0.00 1CDR5956
+ATOM 5738 HD1 HIS 44 -11.463 -3.609 -3.174 1.00 0.00 1CDR5957
+ATOM 5739 HD2 HIS 44 -12.069 -5.971 -6.555 1.00 0.00 1CDR5958
+ATOM 5740 HE1 HIS 44 -13.104 -5.418 -2.500 1.00 0.00 1CDR5959
+ATOM 5741 N CYS 45 -9.218 -2.976 -9.124 1.00 0.00 1CDR5960
+ATOM 5742 CA CYS 45 -8.319 -2.044 -9.861 1.00 0.00 1CDR5961
+ATOM 5743 C CYS 45 -9.141 -1.178 -10.816 1.00 0.00 1CDR5962
+ATOM 5744 O CYS 45 -9.086 -1.338 -12.019 1.00 0.00 1CDR5963
+ATOM 5745 CB CYS 45 -7.295 -2.852 -10.660 1.00 0.00 1CDR5964
+ATOM 5746 SG CYS 45 -5.749 -2.958 -9.726 1.00 0.00 1CDR5965
+ATOM 5747 H CYS 45 -9.372 -3.884 -9.467 1.00 0.00 1CDR5966
+ATOM 5748 HA CYS 45 -7.802 -1.409 -9.156 1.00 0.00 1CDR5967
+ATOM 5749 1HB CYS 45 -7.680 -3.846 -10.835 1.00 0.00 1CDR5968
+ATOM 5750 2HB CYS 45 -7.111 -2.365 -11.605 1.00 0.00 1CDR5969
+ATOM 5751 N ASN 46 -9.900 -0.258 -10.288 1.00 0.00 1CDR5970
+ATOM 5752 CA ASN 46 -10.722 0.625 -11.162 1.00 0.00 1CDR5971
+ATOM 5753 C ASN 46 -10.730 2.038 -10.578 1.00 0.00 1CDR5972
+ATOM 5754 O ASN 46 -10.228 2.273 -9.496 1.00 0.00 1CDR5973
+ATOM 5755 CB ASN 46 -12.155 0.091 -11.228 1.00 0.00 1CDR5974
+ATOM 5756 CG ASN 46 -12.134 -1.437 -11.168 1.00 0.00 1CDR5975
+ATOM 5757 OD1 ASN 46 -11.840 -2.090 -12.149 1.00 0.00 1CDR5976
+ATOM 5758 ND2 ASN 46 -12.435 -2.039 -10.050 1.00 0.00 1CDR5977
+ATOM 5759 H ASN 46 -9.924 -0.144 -9.315 1.00 0.00 1CDR5978
+ATOM 5760 HA ASN 46 -10.299 0.646 -12.154 1.00 0.00 1CDR5979
+ATOM 5761 1HB ASN 46 -12.721 0.477 -10.392 1.00 0.00 1CDR5980
+ATOM 5762 2HB ASN 46 -12.615 0.407 -12.151 1.00 0.00 1CDR5981
+ATOM 5763 1HD2 ASN 46 -12.425 -3.018 -10.003 1.00 0.00 1CDR5982
+ATOM 5764 2HD2 ASN 46 -12.671 -1.512 -9.259 1.00 0.00 1CDR5983
+ATOM 5765 N PHE 47 -11.300 2.985 -11.274 1.00 0.00 1CDR5984
+ATOM 5766 CA PHE 47 -11.336 4.375 -10.739 1.00 0.00 1CDR5985
+ATOM 5767 C PHE 47 -12.560 4.534 -9.836 1.00 0.00 1CDR5986
+ATOM 5768 O PHE 47 -13.281 5.510 -9.909 1.00 0.00 1CDR5987
+ATOM 5769 CB PHE 47 -11.418 5.373 -11.894 1.00 0.00 1CDR5988
+ATOM 5770 CG PHE 47 -10.657 6.626 -11.529 1.00 0.00 1CDR5989
+ATOM 5771 CD1 PHE 47 -11.134 7.464 -10.513 1.00 0.00 1CDR5990
+ATOM 5772 CD2 PHE 47 -9.475 6.950 -12.205 1.00 0.00 1CDR5991
+ATOM 5773 CE1 PHE 47 -10.429 8.625 -10.175 1.00 0.00 1CDR5992
+ATOM 5774 CE2 PHE 47 -8.771 8.112 -11.867 1.00 0.00 1CDR5993
+ATOM 5775 CZ PHE 47 -9.247 8.950 -10.851 1.00 0.00 1CDR5994
+ATOM 5776 H PHE 47 -11.705 2.779 -12.143 1.00 0.00 1CDR5995
+ATOM 5777 HA PHE 47 -10.441 4.562 -10.165 1.00 0.00 1CDR5996
+ATOM 5778 1HB PHE 47 -10.985 4.933 -12.782 1.00 0.00 1CDR5997
+ATOM 5779 2HB PHE 47 -12.452 5.623 -12.084 1.00 0.00 1CDR5998
+ATOM 5780 HD1 PHE 47 -12.046 7.214 -9.990 1.00 0.00 1CDR5999
+ATOM 5781 HD2 PHE 47 -9.107 6.304 -12.988 1.00 0.00 1CDR6000
+ATOM 5782 HE1 PHE 47 -10.797 9.271 -9.391 1.00 0.00 1CDR6001
+ATOM 5783 HE2 PHE 47 -7.859 8.362 -12.388 1.00 0.00 1CDR6002
+ATOM 5784 HZ PHE 47 -8.704 9.846 -10.591 1.00 0.00 1CDR6003
+ATOM 5785 N ASN 48 -12.797 3.577 -8.984 1.00 0.00 1CDR6004
+ATOM 5786 CA ASN 48 -13.966 3.656 -8.069 1.00 0.00 1CDR6005
+ATOM 5787 C ASN 48 -13.704 2.753 -6.864 1.00 0.00 1CDR6006
+ATOM 5788 O ASN 48 -13.955 3.118 -5.735 1.00 0.00 1CDR6007
+ATOM 5789 CB ASN 48 -15.225 3.186 -8.802 1.00 0.00 1CDR6008
+ATOM 5790 CG ASN 48 -16.374 3.042 -7.805 1.00 0.00 1CDR6009
+ATOM 5791 OD1 ASN 48 -17.271 3.862 -7.770 1.00 0.00 1CDR6010
+ATOM 5792 ND2 ASN 48 -16.388 2.026 -6.986 1.00 0.00 1CDR6011
+ATOM 5793 H ASN 48 -12.201 2.802 -8.944 1.00 0.00 1CDR6012
+ATOM 5794 HA ASN 48 -14.098 4.675 -7.736 1.00 0.00 1CDR6013
+ATOM 5795 1HB ASN 48 -15.490 3.911 -9.559 1.00 0.00 1CDR6014
+ATOM 5796 2HB ASN 48 -15.033 2.232 -9.269 1.00 0.00 1CDR6015
+ATOM 5797 1HD2 ASN 48 -17.121 1.925 -6.342 1.00 0.00 1CDR6016
+ATOM 5798 2HD2 ASN 48 -15.666 1.365 -7.015 1.00 0.00 1CDR6017
+ATOM 5799 N ASP 49 -13.187 1.578 -7.101 1.00 0.00 1CDR6018
+ATOM 5800 CA ASP 49 -12.893 0.651 -5.975 1.00 0.00 1CDR6019
+ATOM 5801 C ASP 49 -11.654 1.149 -5.228 1.00 0.00 1CDR6020
+ATOM 5802 O ASP 49 -11.434 0.822 -4.079 1.00 0.00 1CDR6021
+ATOM 5803 CB ASP 49 -12.629 -0.752 -6.524 1.00 0.00 1CDR6022
+ATOM 5804 CG ASP 49 -13.959 -1.480 -6.720 1.00 0.00 1CDR6023
+ATOM 5805 OD1 ASP 49 -14.532 -1.904 -5.729 1.00 0.00 1CDR6024
+ATOM 5806 OD2 ASP 49 -14.383 -1.600 -7.857 1.00 0.00 1CDR6025
+ATOM 5807 H ASP 49 -12.985 1.309 -8.021 1.00 0.00 1CDR6026
+ATOM 5808 HA ASP 49 -13.734 0.622 -5.298 1.00 0.00 1CDR6027
+ATOM 5809 1HB ASP 49 -12.114 -0.676 -7.471 1.00 0.00 1CDR6028
+ATOM 5810 2HB ASP 49 -12.018 -1.304 -5.825 1.00 0.00 1CDR6029
+ATOM 5811 N VAL 50 -10.843 1.942 -5.875 1.00 0.00 1CDR6030
+ATOM 5812 CA VAL 50 -9.621 2.465 -5.205 1.00 0.00 1CDR6031
+ATOM 5813 C VAL 50 -9.962 3.763 -4.470 1.00 0.00 1CDR6032
+ATOM 5814 O VAL 50 -9.528 3.988 -3.358 1.00 0.00 1CDR6033
+ATOM 5815 CB VAL 50 -8.538 2.736 -6.250 1.00 0.00 1CDR6034
+ATOM 5816 CG1 VAL 50 -7.404 3.544 -5.617 1.00 0.00 1CDR6035
+ATOM 5817 CG2 VAL 50 -7.987 1.404 -6.764 1.00 0.00 1CDR6036
+ATOM 5818 H VAL 50 -11.040 2.195 -6.802 1.00 0.00 1CDR6037
+ATOM 5819 HA VAL 50 -9.263 1.736 -4.497 1.00 0.00 1CDR6038
+ATOM 5820 HB VAL 50 -8.962 3.294 -7.073 1.00 0.00 1CDR6039
+ATOM 5821 1HG1 VAL 50 -7.182 3.146 -4.638 1.00 0.00 1CDR6040
+ATOM 5822 2HG1 VAL 50 -6.524 3.478 -6.241 1.00 0.00 1CDR6041
+ATOM 5823 3HG1 VAL 50 -7.705 4.577 -5.527 1.00 0.00 1CDR6042
+ATOM 5824 1HG2 VAL 50 -7.708 0.783 -5.926 1.00 0.00 1CDR6043
+ATOM 5825 2HG2 VAL 50 -8.745 0.903 -7.347 1.00 0.00 1CDR6044
+ATOM 5826 3HG2 VAL 50 -7.120 1.589 -7.381 1.00 0.00 1CDR6045
+ATOM 5827 N THR 51 -10.741 4.613 -5.079 1.00 0.00 1CDR6046
+ATOM 5828 CA THR 51 -11.112 5.890 -4.407 1.00 0.00 1CDR6047
+ATOM 5829 C THR 51 -12.077 5.595 -3.255 1.00 0.00 1CDR6048
+ATOM 5830 O THR 51 -12.442 6.472 -2.498 1.00 0.00 1CDR6049
+ATOM 5831 CB THR 51 -11.786 6.823 -5.417 1.00 0.00 1CDR6050
+ATOM 5832 OG1 THR 51 -12.560 6.054 -6.327 1.00 0.00 1CDR6051
+ATOM 5833 CG2 THR 51 -10.717 7.603 -6.185 1.00 0.00 1CDR6052
+ATOM 5834 H THR 51 -11.086 4.412 -5.974 1.00 0.00 1CDR6053
+ATOM 5835 HA THR 51 -10.222 6.363 -4.019 1.00 0.00 1CDR6054
+ATOM 5836 HB THR 51 -12.427 7.517 -4.896 1.00 0.00 1CDR6055
+ATOM 5837 HG1 THR 51 -13.441 5.958 -5.960 1.00 0.00 1CDR6056
+ATOM 5838 1HG2 THR 51 -10.014 6.912 -6.625 1.00 0.00 1CDR6057
+ATOM 5839 2HG2 THR 51 -11.186 8.184 -6.965 1.00 0.00 1CDR6058
+ATOM 5840 3HG2 THR 51 -10.197 8.264 -5.507 1.00 0.00 1CDR6059
+ATOM 5841 N THR 52 -12.490 4.363 -3.116 1.00 0.00 1CDR6060
+ATOM 5842 CA THR 52 -13.425 4.007 -2.015 1.00 0.00 1CDR6061
+ATOM 5843 C THR 52 -12.624 3.536 -0.801 1.00 0.00 1CDR6062
+ATOM 5844 O THR 52 -12.829 3.995 0.305 1.00 0.00 1CDR6063
+ATOM 5845 CB THR 52 -14.342 2.877 -2.482 1.00 0.00 1CDR6064
+ATOM 5846 OG1 THR 52 -15.018 3.267 -3.671 1.00 0.00 1CDR6065
+ATOM 5847 CG2 THR 52 -15.363 2.565 -1.391 1.00 0.00 1CDR6066
+ATOM 5848 H THR 52 -12.183 3.671 -3.735 1.00 0.00 1CDR6067
+ATOM 5849 HA THR 52 -14.019 4.868 -1.749 1.00 0.00 1CDR6068
+ATOM 5850 HB THR 52 -13.750 1.997 -2.675 1.00 0.00 1CDR6069
+ATOM 5851 HG1 THR 52 -14.873 4.206 -3.805 1.00 0.00 1CDR6070
+ATOM 5852 1HG2 THR 52 -15.572 3.462 -0.829 1.00 0.00 1CDR6071
+ATOM 5853 2HG2 THR 52 -16.273 2.202 -1.844 1.00 0.00 1CDR6072
+ATOM 5854 3HG2 THR 52 -14.963 1.809 -0.730 1.00 0.00 1CDR6073
+ATOM 5855 N ARG 53 -11.707 2.627 -0.999 1.00 0.00 1CDR6074
+ATOM 5856 CA ARG 53 -10.894 2.134 0.136 1.00 0.00 1CDR6075
+ATOM 5857 C ARG 53 -9.999 3.280 0.615 1.00 0.00 1CDR6076
+ATOM 5858 O ARG 53 -9.822 3.494 1.799 1.00 0.00 1CDR6077
+ATOM 5859 CB ARG 53 -10.070 0.928 -0.348 1.00 0.00 1CDR6078
+ATOM 5860 CG ARG 53 -8.665 0.938 0.253 1.00 0.00 1CDR6079
+ATOM 5861 CD ARG 53 -8.747 0.663 1.756 1.00 0.00 1CDR6080
+ATOM 5862 NE ARG 53 -7.372 0.530 2.314 1.00 0.00 1CDR6081
+ATOM 5863 CZ ARG 53 -7.167 0.711 3.591 1.00 0.00 1CDR6082
+ATOM 5864 NH1 ARG 53 -7.982 0.182 4.463 1.00 0.00 1CDR6083
+ATOM 5865 NH2 ARG 53 -6.148 1.420 3.994 1.00 0.00 1CDR6084
+ATOM 5866 H ARG 53 -11.547 2.272 -1.897 1.00 0.00 1CDR6085
+ATOM 5867 HA ARG 53 -11.547 1.827 0.939 1.00 0.00 1CDR6086
+ATOM 5868 1HB ARG 53 -10.572 0.017 -0.058 1.00 0.00 1CDR6087
+ATOM 5869 2HB ARG 53 -9.995 0.962 -1.425 1.00 0.00 1CDR6088
+ATOM 5870 1HG ARG 53 -8.071 0.175 -0.224 1.00 0.00 1CDR6089
+ATOM 5871 2HG ARG 53 -8.212 1.904 0.087 1.00 0.00 1CDR6090
+ATOM 5872 1HD ARG 53 -9.256 1.481 2.245 1.00 0.00 1CDR6091
+ATOM 5873 2HD ARG 53 -9.294 -0.253 1.924 1.00 0.00 1CDR6092
+ATOM 5874 HE ARG 53 -6.622 0.306 1.724 1.00 0.00 1CDR6093
+ATOM 5875 1HH1 ARG 53 -8.762 -0.361 4.154 1.00 0.00 1CDR6094
+ATOM 5876 2HH1 ARG 53 -7.826 0.321 5.440 1.00 0.00 1CDR6095
+ATOM 5877 1HH2 ARG 53 -5.525 1.824 3.324 1.00 0.00 1CDR6096
+ATOM 5878 2HH2 ARG 53 -5.992 1.559 4.972 1.00 0.00 1CDR6097
+ATOM 5879 N LEU 54 -9.444 4.026 -0.300 1.00 0.00 1CDR6098
+ATOM 5880 CA LEU 54 -8.575 5.166 0.094 1.00 0.00 1CDR6099
+ATOM 5881 C LEU 54 -9.453 6.316 0.586 1.00 0.00 1CDR6100
+ATOM 5882 O LEU 54 -8.971 7.287 1.136 1.00 0.00 1CDR6101
+ATOM 5883 CB LEU 54 -7.763 5.626 -1.116 1.00 0.00 1CDR6102
+ATOM 5884 CG LEU 54 -6.964 4.448 -1.672 1.00 0.00 1CDR6103
+ATOM 5885 CD1 LEU 54 -6.505 4.771 -3.094 1.00 0.00 1CDR6104
+ATOM 5886 CD2 LEU 54 -5.742 4.203 -0.787 1.00 0.00 1CDR6105
+ATOM 5887 H LEU 54 -9.608 3.842 -1.249 1.00 0.00 1CDR6106
+ATOM 5888 HA LEU 54 -7.906 4.856 0.884 1.00 0.00 1CDR6107
+ATOM 5889 1HB LEU 54 -8.434 5.999 -1.878 1.00 0.00 1CDR6108
+ATOM 5890 2HB LEU 54 -7.086 6.409 -0.818 1.00 0.00 1CDR6109
+ATOM 5891 HG LEU 54 -7.586 3.564 -1.686 1.00 0.00 1CDR6110
+ATOM 5892 1HD1 LEU 54 -5.899 5.665 -3.082 1.00 0.00 1CDR6111
+ATOM 5893 2HD1 LEU 54 -5.923 3.947 -3.481 1.00 0.00 1CDR6112
+ATOM 5894 3HD1 LEU 54 -7.369 4.929 -3.723 1.00 0.00 1CDR6113
+ATOM 5895 1HD2 LEU 54 -5.732 4.920 0.021 1.00 0.00 1CDR6114
+ATOM 5896 2HD2 LEU 54 -5.786 3.203 -0.380 1.00 0.00 1CDR6115
+ATOM 5897 3HD2 LEU 54 -4.844 4.312 -1.375 1.00 0.00 1CDR6116
+ATOM 5898 N ARG 55 -10.742 6.217 0.391 1.00 0.00 1CDR6117
+ATOM 5899 CA ARG 55 -11.648 7.306 0.848 1.00 0.00 1CDR6118
+ATOM 5900 C ARG 55 -11.278 8.611 0.142 1.00 0.00 1CDR6119
+ATOM 5901 O ARG 55 -11.265 9.669 0.740 1.00 0.00 1CDR6120
+ATOM 5902 CB ARG 55 -11.505 7.488 2.360 1.00 0.00 1CDR6121
+ATOM 5903 CG ARG 55 -12.524 6.604 3.081 1.00 0.00 1CDR6122
+ATOM 5904 CD ARG 55 -12.440 6.852 4.587 1.00 0.00 1CDR6123
+ATOM 5905 NE ARG 55 -13.231 8.066 4.936 1.00 0.00 1CDR6124
+ATOM 5906 CZ ARG 55 -14.410 7.944 5.480 1.00 0.00 1CDR6125
+ATOM 5907 NH1 ARG 55 -15.476 7.905 4.727 1.00 0.00 1CDR6126
+ATOM 5908 NH2 ARG 55 -14.527 7.858 6.777 1.00 0.00 1CDR6127
+ATOM 5909 H ARG 55 -11.114 5.427 -0.056 1.00 0.00 1CDR6128
+ATOM 5910 HA ARG 55 -12.668 7.043 0.611 1.00 0.00 1CDR6129
+ATOM 5911 1HB ARG 55 -10.506 7.209 2.662 1.00 0.00 1CDR6130
+ATOM 5912 2HB ARG 55 -11.683 8.521 2.616 1.00 0.00 1CDR6131
+ATOM 5913 1HG ARG 55 -13.518 6.841 2.730 1.00 0.00 1CDR6132
+ATOM 5914 2HG ARG 55 -12.308 5.565 2.876 1.00 0.00 1CDR6133
+ATOM 5915 1HD ARG 55 -12.837 5.999 5.117 1.00 0.00 1CDR6134
+ATOM 5916 2HD ARG 55 -11.407 7.002 4.869 1.00 0.00 1CDR6135
+ATOM 5917 HE ARG 55 -12.865 8.958 4.757 1.00 0.00 1CDR6136
+ATOM 5918 1HH1 ARG 55 -15.388 7.969 3.733 1.00 0.00 1CDR6137
+ATOM 5919 2HH1 ARG 55 -16.380 7.811 5.144 1.00 0.00 1CDR6138
+ATOM 5920 1HH2 ARG 55 -13.711 7.886 7.355 1.00 0.00 1CDR6139
+ATOM 5921 2HH2 ARG 55 -15.431 7.764 7.193 1.00 0.00 1CDR6140
+ATOM 5922 N GLU 56 -10.976 8.548 -1.124 1.00 0.00 1CDR6141
+ATOM 5923 CA GLU 56 -10.606 9.788 -1.862 1.00 0.00 1CDR6142
+ATOM 5924 C GLU 56 -11.415 9.876 -3.157 1.00 0.00 1CDR6143
+ATOM 5925 O GLU 56 -12.343 9.122 -3.375 1.00 0.00 1CDR6144
+ATOM 5926 CB GLU 56 -9.115 9.754 -2.199 1.00 0.00 1CDR6145
+ATOM 5927 CG GLU 56 -8.300 9.696 -0.906 1.00 0.00 1CDR6146
+ATOM 5928 CD GLU 56 -7.135 10.682 -0.992 1.00 0.00 1CDR6147
+ATOM 5929 OE1 GLU 56 -7.382 11.871 -0.888 1.00 0.00 1CDR6148
+ATOM 5930 OE2 GLU 56 -6.013 10.231 -1.161 1.00 0.00 1CDR6149
+ATOM 5931 H GLU 56 -10.990 7.686 -1.590 1.00 0.00 1CDR6150
+ATOM 5932 HA GLU 56 -10.817 10.650 -1.246 1.00 0.00 1CDR6151
+ATOM 5933 1HB GLU 56 -8.902 8.882 -2.801 1.00 0.00 1CDR6152
+ATOM 5934 2HB GLU 56 -8.850 10.644 -2.749 1.00 0.00 1CDR6153
+ATOM 5935 1HG GLU 56 -8.933 9.956 -0.070 1.00 0.00 1CDR6154
+ATOM 5936 2HG GLU 56 -7.914 8.696 -0.768 1.00 0.00 1CDR6155
+ATOM 5937 N ASN 57 -11.066 10.791 -4.016 1.00 0.00 1CDR6156
+ATOM 5938 CA ASN 57 -11.805 10.935 -5.300 1.00 0.00 1CDR6157
+ATOM 5939 C ASN 57 -11.055 11.916 -6.200 1.00 0.00 1CDR6158
+ATOM 5940 O ASN 57 -11.625 12.840 -6.746 1.00 0.00 1CDR6159
+ATOM 5941 CB ASN 57 -13.213 11.464 -5.026 1.00 0.00 1CDR6160
+ATOM 5942 CG ASN 57 -14.218 10.710 -5.899 1.00 0.00 1CDR6161
+ATOM 5943 OD1 ASN 57 -14.872 11.297 -6.738 1.00 0.00 1CDR6162
+ATOM 5944 ND2 ASN 57 -14.367 9.425 -5.738 1.00 0.00 1CDR6163
+ATOM 5945 H ASN 57 -10.312 11.386 -3.818 1.00 0.00 1CDR6164
+ATOM 5946 HA ASN 57 -11.869 9.974 -5.789 1.00 0.00 1CDR6165
+ATOM 5947 1HB ASN 57 -13.456 11.315 -3.983 1.00 0.00 1CDR6166
+ATOM 5948 2HB ASN 57 -13.256 12.517 -5.259 1.00 0.00 1CDR6167
+ATOM 5949 1HD2 ASN 57 -15.008 8.932 -6.292 1.00 0.00 1CDR6168
+ATOM 5950 2HD2 ASN 57 -13.839 8.951 -5.062 1.00 0.00 1CDR6169
+ATOM 5951 N GLU 58 -9.775 11.723 -6.355 1.00 0.00 1CDR6170
+ATOM 5952 CA GLU 58 -8.976 12.640 -7.212 1.00 0.00 1CDR6171
+ATOM 5953 C GLU 58 -7.526 12.157 -7.241 1.00 0.00 1CDR6172
+ATOM 5954 O GLU 58 -6.631 12.824 -6.764 1.00 0.00 1CDR6173
+ATOM 5955 CB GLU 58 -9.029 14.055 -6.633 1.00 0.00 1CDR6174
+ATOM 5956 CG GLU 58 -9.418 15.045 -7.732 1.00 0.00 1CDR6175
+ATOM 5957 CD GLU 58 -10.636 15.854 -7.283 1.00 0.00 1CDR6176
+ATOM 5958 OE1 GLU 58 -10.534 16.525 -6.269 1.00 0.00 1CDR6177
+ATOM 5959 OE2 GLU 58 -11.649 15.788 -7.960 1.00 0.00 1CDR6178
+ATOM 5960 H GLU 58 -9.336 10.973 -5.902 1.00 0.00 1CDR6179
+ATOM 5961 HA GLU 58 -9.378 12.642 -8.215 1.00 0.00 1CDR6180
+ATOM 5962 1HB GLU 58 -9.760 14.091 -5.839 1.00 0.00 1CDR6181
+ATOM 5963 2HB GLU 58 -8.058 14.319 -6.241 1.00 0.00 1CDR6182
+ATOM 5964 1HG GLU 58 -8.590 15.714 -7.923 1.00 0.00 1CDR6183
+ATOM 5965 2HG GLU 58 -9.660 14.504 -8.634 1.00 0.00 1CDR6184
+ATOM 5966 N LEU 59 -7.288 10.996 -7.790 1.00 0.00 1CDR6185
+ATOM 5967 CA LEU 59 -5.896 10.473 -7.835 1.00 0.00 1CDR6186
+ATOM 5968 C LEU 59 -5.785 9.379 -8.900 1.00 0.00 1CDR6187
+ATOM 5969 O LEU 59 -6.703 8.610 -9.111 1.00 0.00 1CDR6188
+ATOM 5970 CB LEU 59 -5.535 9.889 -6.470 1.00 0.00 1CDR6189
+ATOM 5971 CG LEU 59 -6.715 9.071 -5.941 1.00 0.00 1CDR6190
+ATOM 5972 CD1 LEU 59 -6.784 7.734 -6.683 1.00 0.00 1CDR6191
+ATOM 5973 CD2 LEU 59 -6.524 8.812 -4.444 1.00 0.00 1CDR6192
+ATOM 5974 H LEU 59 -8.025 10.469 -8.163 1.00 0.00 1CDR6193
+ATOM 5975 HA LEU 59 -5.217 11.277 -8.072 1.00 0.00 1CDR6194
+ATOM 5976 1HB LEU 59 -4.668 9.252 -6.568 1.00 0.00 1CDR6195
+ATOM 5977 2HB LEU 59 -5.318 10.690 -5.780 1.00 0.00 1CDR6196
+ATOM 5978 HG LEU 59 -7.633 9.619 -6.100 1.00 0.00 1CDR6197
+ATOM 5979 1HD1 LEU 59 -5.849 7.559 -7.195 1.00 0.00 1CDR6198
+ATOM 5980 2HD1 LEU 59 -6.962 6.938 -5.976 1.00 0.00 1CDR6199
+ATOM 5981 3HD1 LEU 59 -7.589 7.763 -7.402 1.00 0.00 1CDR6200
+ATOM 5982 1HD2 LEU 59 -5.575 9.216 -4.127 1.00 0.00 1CDR6201
+ATOM 5983 2HD2 LEU 59 -7.320 9.290 -3.892 1.00 0.00 1CDR6202
+ATOM 5984 3HD2 LEU 59 -6.545 7.748 -4.257 1.00 0.00 1CDR6203
+ATOM 5985 N THR 60 -4.665 9.297 -9.565 1.00 0.00 1CDR6204
+ATOM 5986 CA THR 60 -4.492 8.247 -10.607 1.00 0.00 1CDR6205
+ATOM 5987 C THR 60 -3.914 6.988 -9.957 1.00 0.00 1CDR6206
+ATOM 5988 O THR 60 -3.084 7.060 -9.073 1.00 0.00 1CDR6207
+ATOM 5989 CB THR 60 -3.535 8.751 -11.691 1.00 0.00 1CDR6208
+ATOM 5990 OG1 THR 60 -2.413 9.372 -11.080 1.00 0.00 1CDR6209
+ATOM 5991 CG2 THR 60 -4.256 9.763 -12.584 1.00 0.00 1CDR6210
+ATOM 5992 H THR 60 -3.935 9.923 -9.373 1.00 0.00 1CDR6211
+ATOM 5993 HA THR 60 -5.450 8.018 -11.050 1.00 0.00 1CDR6212
+ATOM 5994 HB THR 60 -3.203 7.919 -12.294 1.00 0.00 1CDR6213
+ATOM 5995 HG1 THR 60 -1.902 9.804 -11.769 1.00 0.00 1CDR6214
+ATOM 5996 1HG2 THR 60 -5.168 10.083 -12.101 1.00 0.00 1CDR6215
+ATOM 5997 2HG2 THR 60 -3.617 10.618 -12.749 1.00 0.00 1CDR6216
+ATOM 5998 3HG2 THR 60 -4.492 9.302 -13.531 1.00 0.00 1CDR6217
+ATOM 5999 N TYR 61 -4.351 5.835 -10.383 1.00 0.00 1CDR6218
+ATOM 6000 CA TYR 61 -3.832 4.573 -9.782 1.00 0.00 1CDR6219
+ATOM 6001 C TYR 61 -3.383 3.622 -10.892 1.00 0.00 1CDR6220
+ATOM 6002 O TYR 61 -4.135 3.311 -11.793 1.00 0.00 1CDR6221
+ATOM 6003 CB TYR 61 -4.944 3.903 -8.977 1.00 0.00 1CDR6222
+ATOM 6004 CG TYR 61 -6.043 3.473 -9.919 1.00 0.00 1CDR6223
+ATOM 6005 CD1 TYR 61 -6.886 4.433 -10.494 1.00 0.00 1CDR6224
+ATOM 6006 CD2 TYR 61 -6.214 2.118 -10.225 1.00 0.00 1CDR6225
+ATOM 6007 CE1 TYR 61 -7.899 4.037 -11.374 1.00 0.00 1CDR6226
+ATOM 6008 CE2 TYR 61 -7.230 1.723 -11.104 1.00 0.00 1CDR6227
+ATOM 6009 CZ TYR 61 -8.072 2.682 -11.679 1.00 0.00 1CDR6228
+ATOM 6010 OH TYR 61 -9.071 2.293 -12.547 1.00 0.00 1CDR6229
+ATOM 6011 H TYR 61 -5.025 5.797 -11.094 1.00 0.00 1CDR6230
+ATOM 6012 HA TYR 61 -2.998 4.795 -9.133 1.00 0.00 1CDR6231
+ATOM 6013 1HB TYR 61 -4.548 3.038 -8.464 1.00 0.00 1CDR6232
+ATOM 6014 2HB TYR 61 -5.340 4.602 -8.257 1.00 0.00 1CDR6233
+ATOM 6015 HD1 TYR 61 -6.754 5.479 -10.258 1.00 0.00 1CDR6234
+ATOM 6016 HD2 TYR 61 -5.564 1.379 -9.782 1.00 0.00 1CDR6235
+ATOM 6017 HE1 TYR 61 -8.550 4.777 -11.817 1.00 0.00 1CDR6236
+ATOM 6018 HE2 TYR 61 -7.363 0.677 -11.340 1.00 0.00 1CDR6237
+ATOM 6019 HH TYR 61 -8.941 2.759 -13.377 1.00 0.00 1CDR6238
+ATOM 6020 N TYR 62 -2.168 3.150 -10.832 1.00 0.00 1CDR6239
+ATOM 6021 CA TYR 62 -1.691 2.211 -11.885 1.00 0.00 1CDR6240
+ATOM 6022 C TYR 62 -1.457 0.831 -11.266 1.00 0.00 1CDR6241
+ATOM 6023 O TYR 62 -0.657 0.673 -10.365 1.00 0.00 1CDR6242
+ATOM 6024 CB TYR 62 -0.383 2.729 -12.487 1.00 0.00 1CDR6243
+ATOM 6025 CG TYR 62 0.209 1.665 -13.380 1.00 0.00 1CDR6244
+ATOM 6026 CD1 TYR 62 -0.184 1.577 -14.721 1.00 0.00 1CDR6245
+ATOM 6027 CD2 TYR 62 1.151 0.765 -12.866 1.00 0.00 1CDR6246
+ATOM 6028 CE1 TYR 62 0.364 0.590 -15.548 1.00 0.00 1CDR6247
+ATOM 6029 CE2 TYR 62 1.699 -0.222 -13.694 1.00 0.00 1CDR6248
+ATOM 6030 CZ TYR 62 1.305 -0.311 -15.034 1.00 0.00 1CDR6249
+ATOM 6031 OH TYR 62 1.844 -1.285 -15.850 1.00 0.00 1CDR6250
+ATOM 6032 H TYR 62 -1.575 3.406 -10.093 1.00 0.00 1CDR6251
+ATOM 6033 HA TYR 62 -2.439 2.133 -12.661 1.00 0.00 1CDR6252
+ATOM 6034 1HB TYR 62 -0.583 3.618 -13.068 1.00 0.00 1CDR6253
+ATOM 6035 2HB TYR 62 0.311 2.963 -11.695 1.00 0.00 1CDR6254
+ATOM 6036 HD1 TYR 62 -0.910 2.271 -15.117 1.00 0.00 1CDR6255
+ATOM 6037 HD2 TYR 62 1.455 0.833 -11.831 1.00 0.00 1CDR6256
+ATOM 6038 HE1 TYR 62 0.060 0.521 -16.582 1.00 0.00 1CDR6257
+ATOM 6039 HE2 TYR 62 2.425 -0.918 -13.297 1.00 0.00 1CDR6258
+ATOM 6040 HH TYR 62 2.399 -1.851 -15.309 1.00 0.00 1CDR6259
+ATOM 6041 N CYS 63 -2.151 -0.168 -11.740 1.00 0.00 1CDR6260
+ATOM 6042 CA CYS 63 -1.969 -1.536 -11.178 1.00 0.00 1CDR6261
+ATOM 6043 C CYS 63 -0.841 -2.245 -11.924 1.00 0.00 1CDR6262
+ATOM 6044 O CYS 63 -0.521 -1.913 -13.048 1.00 0.00 1CDR6263
+ATOM 6045 CB CYS 63 -3.266 -2.332 -11.339 1.00 0.00 1CDR6264
+ATOM 6046 SG CYS 63 -4.610 -1.471 -10.484 1.00 0.00 1CDR6265
+ATOM 6047 H CYS 63 -2.791 -0.018 -12.466 1.00 0.00 1CDR6266
+ATOM 6048 HA CYS 63 -1.716 -1.468 -10.130 1.00 0.00 1CDR6267
+ATOM 6049 1HB CYS 63 -3.506 -2.421 -12.388 1.00 0.00 1CDR6268
+ATOM 6050 2HB CYS 63 -3.141 -3.316 -10.912 1.00 0.00 1CDR6269
+ATOM 6051 N CYS 64 -0.231 -3.216 -11.305 1.00 0.00 1CDR6270
+ATOM 6052 CA CYS 64 0.880 -3.945 -11.979 1.00 0.00 1CDR6271
+ATOM 6053 C CYS 64 0.864 -5.416 -11.563 1.00 0.00 1CDR6272
+ATOM 6054 O CYS 64 0.110 -5.822 -10.701 1.00 0.00 1CDR6273
+ATOM 6055 CB CYS 64 2.216 -3.318 -11.579 1.00 0.00 1CDR6274
+ATOM 6056 SG CYS 64 3.374 -3.435 -12.965 1.00 0.00 1CDR6275
+ATOM 6057 H CYS 64 -0.505 -3.465 -10.396 1.00 0.00 1CDR6276
+ATOM 6058 HA CYS 64 0.758 -3.875 -13.051 1.00 0.00 1CDR6277
+ATOM 6059 1HB CYS 64 2.064 -2.280 -11.323 1.00 0.00 1CDR6278
+ATOM 6060 2HB CYS 64 2.620 -3.845 -10.726 1.00 0.00 1CDR6279
+ATOM 6061 N LYS 65 1.696 -6.218 -12.170 1.00 0.00 1CDR6280
+ATOM 6062 CA LYS 65 1.737 -7.664 -11.812 1.00 0.00 1CDR6281
+ATOM 6063 C LYS 65 3.185 -8.156 -11.865 1.00 0.00 1CDR6282
+ATOM 6064 O LYS 65 3.449 -9.312 -12.130 1.00 0.00 1CDR6283
+ATOM 6065 CB LYS 65 0.889 -8.461 -12.807 1.00 0.00 1CDR6284
+ATOM 6066 CG LYS 65 -0.573 -8.457 -12.354 1.00 0.00 1CDR6285
+ATOM 6067 CD LYS 65 -1.151 -9.869 -12.473 1.00 0.00 1CDR6286
+ATOM 6068 CE LYS 65 -2.307 -9.866 -13.474 1.00 0.00 1CDR6287
+ATOM 6069 NZ LYS 65 -2.238 -11.095 -14.315 1.00 0.00 1CDR6288
+ATOM 6070 H LYS 65 2.297 -5.868 -12.860 1.00 0.00 1CDR6289
+ATOM 6071 HA LYS 65 1.345 -7.799 -10.815 1.00 0.00 1CDR6290
+ATOM 6072 1HB LYS 65 0.964 -8.009 -13.785 1.00 0.00 1CDR6291
+ATOM 6073 2HB LYS 65 1.247 -9.478 -12.851 1.00 0.00 1CDR6292
+ATOM 6074 1HG LYS 65 -0.630 -8.128 -11.327 1.00 0.00 1CDR6293
+ATOM 6075 2HG LYS 65 -1.141 -7.785 -12.979 1.00 0.00 1CDR6294
+ATOM 6076 1HD LYS 65 -0.380 -10.545 -12.813 1.00 0.00 1CDR6295
+ATOM 6077 2HD LYS 65 -1.513 -10.193 -11.508 1.00 0.00 1CDR6296
+ATOM 6078 1HE LYS 65 -3.246 -9.847 -12.941 1.00 0.00 1CDR6297
+ATOM 6079 2HE LYS 65 -2.233 -8.993 -14.106 1.00 0.00 1CDR6298
+ATOM 6080 1HZ LYS 65 -1.285 -11.506 -14.249 1.00 0.00 1CDR6299
+ATOM 6081 2HZ LYS 65 -2.940 -11.784 -13.979 1.00 0.00 1CDR6300
+ATOM 6082 3HZ LYS 65 -2.444 -10.850 -15.305 1.00 0.00 1CDR6301
+ATOM 6083 N LYS 66 4.126 -7.286 -11.617 1.00 0.00 1CDR6302
+ATOM 6084 CA LYS 66 5.556 -7.702 -11.653 1.00 0.00 1CDR6303
+ATOM 6085 C LYS 66 6.177 -7.523 -10.264 1.00 0.00 1CDR6304
+ATOM 6086 O LYS 66 5.834 -6.616 -9.532 1.00 0.00 1CDR6305
+ATOM 6087 CB LYS 66 6.312 -6.841 -12.669 1.00 0.00 1CDR6306
+ATOM 6088 CG LYS 66 5.400 -6.537 -13.861 1.00 0.00 1CDR6307
+ATOM 6089 CD LYS 66 6.241 -6.038 -15.037 1.00 0.00 1CDR6308
+ATOM 6090 CE LYS 66 6.441 -7.174 -16.043 1.00 0.00 1CDR6309
+ATOM 6091 NZ LYS 66 7.598 -6.858 -16.928 1.00 0.00 1CDR6310
+ATOM 6092 H LYS 66 3.891 -6.358 -11.407 1.00 0.00 1CDR6311
+ATOM 6093 HA LYS 66 5.620 -8.741 -11.944 1.00 0.00 1CDR6312
+ATOM 6094 1HB LYS 66 6.616 -5.916 -12.202 1.00 0.00 1CDR6313
+ATOM 6095 2HB LYS 66 7.185 -7.375 -13.014 1.00 0.00 1CDR6314
+ATOM 6096 1HG LYS 66 4.874 -7.436 -14.149 1.00 0.00 1CDR6315
+ATOM 6097 2HG LYS 66 4.687 -5.776 -13.582 1.00 0.00 1CDR6316
+ATOM 6098 1HD LYS 66 5.732 -5.216 -15.520 1.00 0.00 1CDR6317
+ATOM 6099 2HD LYS 66 7.203 -5.704 -14.678 1.00 0.00 1CDR6318
+ATOM 6100 1HE LYS 66 6.635 -8.094 -15.512 1.00 0.00 1CDR6319
+ATOM 6101 2HE LYS 66 5.550 -7.286 -16.642 1.00 0.00 1CDR6320
+ATOM 6102 1HZ LYS 66 8.451 -6.718 -16.350 1.00 0.00 1CDR6321
+ATOM 6103 2HZ LYS 66 7.755 -7.645 -17.588 1.00 0.00 1CDR6322
+ATOM 6104 3HZ LYS 66 7.395 -5.990 -17.465 1.00 0.00 1CDR6323
+ATOM 6105 N ASP 67 7.083 -8.386 -9.895 1.00 0.00 1CDR6324
+ATOM 6106 CA ASP 67 7.723 -8.273 -8.553 1.00 0.00 1CDR6325
+ATOM 6107 C ASP 67 8.209 -6.840 -8.322 1.00 0.00 1CDR6326
+ATOM 6108 O ASP 67 8.965 -6.295 -9.101 1.00 0.00 1CDR6327
+ATOM 6109 CB ASP 67 8.914 -9.229 -8.477 1.00 0.00 1CDR6328
+ATOM 6110 CG ASP 67 8.443 -10.658 -8.746 1.00 0.00 1CDR6329
+ATOM 6111 OD1 ASP 67 7.250 -10.844 -8.921 1.00 0.00 1CDR6330
+ATOM 6112 OD2 ASP 67 9.282 -11.544 -8.771 1.00 0.00 1CDR6331
+ATOM 6113 H ASP 67 7.342 -9.113 -10.499 1.00 0.00 1CDR6332
+ATOM 6114 HA ASP 67 7.006 -8.536 -7.789 1.00 0.00 1CDR6333
+ATOM 6115 1HB ASP 67 9.650 -8.945 -9.217 1.00 0.00 1CDR6334
+ATOM 6116 2HB ASP 67 9.356 -9.176 -7.493 1.00 0.00 1CDR6335
+ATOM 6117 N LEU 68 7.784 -6.232 -7.247 1.00 0.00 1CDR6336
+ATOM 6118 CA LEU 68 8.218 -4.841 -6.947 1.00 0.00 1CDR6337
+ATOM 6119 C LEU 68 8.040 -3.967 -8.188 1.00 0.00 1CDR6338
+ATOM 6120 O LEU 68 8.927 -3.234 -8.579 1.00 0.00 1CDR6339
+ATOM 6121 CB LEU 68 9.689 -4.847 -6.524 1.00 0.00 1CDR6340
+ATOM 6122 CG LEU 68 9.847 -5.681 -5.251 1.00 0.00 1CDR6341
+ATOM 6123 CD1 LEU 68 11.303 -6.123 -5.104 1.00 0.00 1CDR6342
+ATOM 6124 CD2 LEU 68 9.447 -4.840 -4.037 1.00 0.00 1CDR6343
+ATOM 6125 H LEU 68 7.180 -6.693 -6.633 1.00 0.00 1CDR6344
+ATOM 6126 HA LEU 68 7.617 -4.448 -6.142 1.00 0.00 1CDR6345
+ATOM 6127 1HB LEU 68 10.289 -5.275 -7.314 1.00 0.00 1CDR6346
+ATOM 6128 2HB LEU 68 10.013 -3.835 -6.332 1.00 0.00 1CDR6347
+ATOM 6129 HG LEU 68 9.211 -6.553 -5.312 1.00 0.00 1CDR6348
+ATOM 6130 1HD1 LEU 68 11.842 -5.894 -6.011 1.00 0.00 1CDR6349
+ATOM 6131 2HD1 LEU 68 11.755 -5.600 -4.274 1.00 0.00 1CDR6350
+ATOM 6132 3HD1 LEU 68 11.340 -7.187 -4.922 1.00 0.00 1CDR6351
+ATOM 6133 1HD2 LEU 68 8.533 -4.306 -4.254 1.00 0.00 1CDR6352
+ATOM 6134 2HD2 LEU 68 9.292 -5.486 -3.186 1.00 0.00 1CDR6353
+ATOM 6135 3HD2 LEU 68 10.233 -4.133 -3.814 1.00 0.00 1CDR6354
+ATOM 6136 N CYS 69 6.894 -4.037 -8.807 1.00 0.00 1CDR6355
+ATOM 6137 CA CYS 69 6.651 -3.210 -10.023 1.00 0.00 1CDR6356
+ATOM 6138 C CYS 69 6.381 -1.762 -9.609 1.00 0.00 1CDR6357
+ATOM 6139 O CYS 69 6.775 -0.830 -10.282 1.00 0.00 1CDR6358
+ATOM 6140 CB CYS 69 5.437 -3.757 -10.776 1.00 0.00 1CDR6359
+ATOM 6141 SG CYS 69 5.108 -2.717 -12.220 1.00 0.00 1CDR6360
+ATOM 6142 H CYS 69 6.192 -4.634 -8.471 1.00 0.00 1CDR6361
+ATOM 6143 HA CYS 69 7.519 -3.246 -10.664 1.00 0.00 1CDR6362
+ATOM 6144 1HB CYS 69 5.637 -4.768 -11.097 1.00 0.00 1CDR6363
+ATOM 6145 2HB CYS 69 4.575 -3.749 -10.124 1.00 0.00 1CDR6364
+ATOM 6146 N ASN 70 5.709 -1.564 -8.508 1.00 0.00 1CDR6365
+ATOM 6147 CA ASN 70 5.414 -0.175 -8.056 1.00 0.00 1CDR6366
+ATOM 6148 C ASN 70 6.716 0.527 -7.665 1.00 0.00 1CDR6367
+ATOM 6149 O ASN 70 7.427 0.094 -6.780 1.00 0.00 1CDR6368
+ATOM 6150 CB ASN 70 4.474 -0.220 -6.849 1.00 0.00 1CDR6369
+ATOM 6151 CG ASN 70 4.405 1.165 -6.205 1.00 0.00 1CDR6370
+ATOM 6152 OD1 ASN 70 4.606 2.165 -6.864 1.00 0.00 1CDR6371
+ATOM 6153 ND2 ASN 70 4.125 1.268 -4.936 1.00 0.00 1CDR6372
+ATOM 6154 H ASN 70 5.397 -2.328 -7.979 1.00 0.00 1CDR6373
+ATOM 6155 HA ASN 70 4.939 0.370 -8.859 1.00 0.00 1CDR6374
+ATOM 6156 1HB ASN 70 3.487 -0.518 -7.173 1.00 0.00 1CDR6375
+ATOM 6157 2HB ASN 70 4.847 -0.933 -6.128 1.00 0.00 1CDR6376
+ATOM 6158 1HD2 ASN 70 4.080 2.151 -4.513 1.00 0.00 1CDR6377
+ATOM 6159 2HD2 ASN 70 3.962 0.461 -4.402 1.00 0.00 1CDR6378
+ATOM 6160 N PHE 71 7.031 1.611 -8.319 1.00 0.00 1CDR6379
+ATOM 6161 CA PHE 71 8.285 2.347 -7.988 1.00 0.00 1CDR6380
+ATOM 6162 C PHE 71 8.144 3.804 -8.434 1.00 0.00 1CDR6381
+ATOM 6163 O PHE 71 7.068 4.255 -8.772 1.00 0.00 1CDR6382
+ATOM 6164 CB PHE 71 9.468 1.700 -8.712 1.00 0.00 1CDR6383
+ATOM 6165 CG PHE 71 9.029 1.201 -10.070 1.00 0.00 1CDR6384
+ATOM 6166 CD1 PHE 71 8.278 2.028 -10.917 1.00 0.00 1CDR6385
+ATOM 6167 CD2 PHE 71 9.375 -0.091 -10.484 1.00 0.00 1CDR6386
+ATOM 6168 CE1 PHE 71 7.874 1.563 -12.173 1.00 0.00 1CDR6387
+ATOM 6169 CE2 PHE 71 8.971 -0.556 -11.741 1.00 0.00 1CDR6388
+ATOM 6170 CZ PHE 71 8.221 0.270 -12.585 1.00 0.00 1CDR6389
+ATOM 6171 H PHE 71 6.443 1.944 -9.028 1.00 0.00 1CDR6390
+ATOM 6172 HA PHE 71 8.451 2.314 -6.921 1.00 0.00 1CDR6391
+ATOM 6173 1HB PHE 71 10.257 2.427 -8.834 1.00 0.00 1CDR6392
+ATOM 6174 2HB PHE 71 9.834 0.869 -8.127 1.00 0.00 1CDR6393
+ATOM 6175 HD1 PHE 71 8.012 3.024 -10.603 1.00 0.00 1CDR6394
+ATOM 6176 HD2 PHE 71 9.954 -0.730 -9.833 1.00 0.00 1CDR6395
+ATOM 6177 HE1 PHE 71 7.295 2.201 -12.825 1.00 0.00 1CDR6396
+ATOM 6178 HE2 PHE 71 9.237 -1.552 -12.059 1.00 0.00 1CDR6397
+ATOM 6179 HZ PHE 71 7.909 -0.089 -13.555 1.00 0.00 1CDR6398
+ATOM 6180 N ASN 72 9.219 4.542 -8.447 1.00 0.00 1CDR6399
+ATOM 6181 CA ASN 72 9.129 5.964 -8.880 1.00 0.00 1CDR6400
+ATOM 6182 C ASN 72 9.523 6.071 -10.353 1.00 0.00 1CDR6401
+ATOM 6183 O ASN 72 10.470 6.747 -10.706 1.00 0.00 1CDR6402
+ATOM 6184 CB ASN 72 10.074 6.820 -8.034 1.00 0.00 1CDR6403
+ATOM 6185 CG ASN 72 9.253 7.719 -7.107 1.00 0.00 1CDR6404
+ATOM 6186 OD1 ASN 72 9.432 8.921 -7.093 1.00 0.00 1CDR6405
+ATOM 6187 ND2 ASN 72 8.356 7.184 -6.326 1.00 0.00 1CDR6406
+ATOM 6188 H ASN 72 10.080 4.163 -8.175 1.00 0.00 1CDR6407
+ATOM 6189 HA ASN 72 8.116 6.312 -8.755 1.00 0.00 1CDR6408
+ATOM 6190 1HB ASN 72 10.712 6.179 -7.445 1.00 0.00 1CDR6409
+ATOM 6191 2HB ASN 72 10.680 7.435 -8.683 1.00 0.00 1CDR6410
+ATOM 6192 1HD2 ASN 72 7.825 7.752 -5.729 1.00 0.00 1CDR6411
+ATOM 6193 2HD2 ASN 72 8.212 6.215 -6.336 1.00 0.00 1CDR6412
+ATOM 6194 N GLU 73 8.804 5.410 -11.216 1.00 0.00 1CDR6413
+ATOM 6195 CA GLU 73 9.134 5.472 -12.668 1.00 0.00 1CDR6414
+ATOM 6196 C GLU 73 7.966 4.905 -13.477 1.00 0.00 1CDR6415
+ATOM 6197 O GLU 73 8.154 4.266 -14.493 1.00 0.00 1CDR6416
+ATOM 6198 CB GLU 73 10.395 4.648 -12.940 1.00 0.00 1CDR6417
+ATOM 6199 CG GLU 73 11.023 5.095 -14.262 1.00 0.00 1CDR6418
+ATOM 6200 CD GLU 73 12.134 6.109 -13.983 1.00 0.00 1CDR6419
+ATOM 6201 OE1 GLU 73 12.105 6.712 -12.922 1.00 0.00 1CDR6420
+ATOM 6202 OE2 GLU 73 12.993 6.266 -14.834 1.00 0.00 1CDR6421
+ATOM 6203 H GLU 73 8.044 4.871 -10.910 1.00 0.00 1CDR6422
+ATOM 6204 HA GLU 73 9.305 6.499 -12.953 1.00 0.00 1CDR6423
+ATOM 6205 1HB GLU 73 11.102 4.798 -12.136 1.00 0.00 1CDR6424
+ATOM 6206 2HB GLU 73 10.136 3.602 -13.002 1.00 0.00 1CDR6425
+ATOM 6207 1HG GLU 73 11.438 4.237 -14.770 1.00 0.00 1CDR6426
+ATOM 6208 2HG GLU 73 10.268 5.552 -14.884 1.00 0.00 1CDR6427
+ATOM 6209 N GLN 74 6.760 5.135 -13.034 1.00 0.00 1CDR6428
+ATOM 6210 CA GLN 74 5.579 4.612 -13.775 1.00 0.00 1CDR6429
+ATOM 6211 C GLN 74 4.669 5.776 -14.168 1.00 0.00 1CDR6430
+ATOM 6212 O GLN 74 4.565 6.132 -15.326 1.00 0.00 1CDR6431
+ATOM 6213 CB GLN 74 4.804 3.644 -12.879 1.00 0.00 1CDR6432
+ATOM 6214 CG GLN 74 4.094 2.602 -13.744 1.00 0.00 1CDR6433
+ATOM 6215 CD GLN 74 5.114 1.589 -14.265 1.00 0.00 1CDR6434
+ATOM 6216 OE1 GLN 74 5.638 1.740 -15.350 1.00 0.00 1CDR6435
+ATOM 6217 NE2 GLN 74 5.421 0.556 -13.530 1.00 0.00 1CDR6436
+ATOM 6218 H GLN 74 6.632 5.654 -12.213 1.00 0.00 1CDR6437
+ATOM 6219 HA GLN 74 5.910 4.095 -14.664 1.00 0.00 1CDR6438
+ATOM 6220 1HB GLN 74 5.491 3.148 -12.208 1.00 0.00 1CDR6439
+ATOM 6221 2HB GLN 74 4.073 4.192 -12.306 1.00 0.00 1CDR6440
+ATOM 6222 1HG GLN 74 3.348 2.091 -13.151 1.00 0.00 1CDR6441
+ATOM 6223 2HG GLN 74 3.615 3.091 -14.580 1.00 0.00 1CDR6442
+ATOM 6224 1HE2 GLN 74 6.071 -0.100 -13.855 1.00 0.00 1CDR6443
+ATOM 6225 2HE2 GLN 74 4.999 0.436 -12.653 1.00 0.00 1CDR6444
+ATOM 6226 N LEU 75 4.010 6.372 -13.213 1.00 0.00 1CDR6445
+ATOM 6227 CA LEU 75 3.106 7.513 -13.529 1.00 0.00 1CDR6446
+ATOM 6228 C LEU 75 3.850 8.831 -13.309 1.00 0.00 1CDR6447
+ATOM 6229 O LEU 75 3.252 9.856 -13.047 1.00 0.00 1CDR6448
+ATOM 6230 CB LEU 75 1.881 7.462 -12.612 1.00 0.00 1CDR6449
+ATOM 6231 CG LEU 75 0.611 7.375 -13.460 1.00 0.00 1CDR6450
+ATOM 6232 CD1 LEU 75 -0.442 6.549 -12.719 1.00 0.00 1CDR6451
+ATOM 6233 CD2 LEU 75 0.069 8.783 -13.711 1.00 0.00 1CDR6452
+ATOM 6234 H LEU 75 4.110 6.068 -12.287 1.00 0.00 1CDR6453
+ATOM 6235 HA LEU 75 2.788 7.446 -14.558 1.00 0.00 1CDR6454
+ATOM 6236 1HB LEU 75 1.947 6.595 -11.971 1.00 0.00 1CDR6455
+ATOM 6237 2HB LEU 75 1.847 8.356 -12.008 1.00 0.00 1CDR6456
+ATOM 6238 HG LEU 75 0.841 6.901 -14.404 1.00 0.00 1CDR6457
+ATOM 6239 1HD1 LEU 75 -0.488 6.866 -11.688 1.00 0.00 1CDR6458
+ATOM 6240 2HD1 LEU 75 -1.406 6.696 -13.184 1.00 0.00 1CDR6459
+ATOM 6241 3HD1 LEU 75 -0.177 5.503 -12.764 1.00 0.00 1CDR6460
+ATOM 6242 1HD2 LEU 75 0.065 9.338 -12.784 1.00 0.00 1CDR6461
+ATOM 6243 2HD2 LEU 75 0.697 9.288 -14.430 1.00 0.00 1CDR6462
+ATOM 6244 3HD2 LEU 75 -0.938 8.718 -14.095 1.00 0.00 1CDR6463
+ATOM 6245 N GLU 76 5.150 8.815 -13.413 1.00 0.00 1CDR6464
+ATOM 6246 CA GLU 76 5.926 10.071 -13.211 1.00 0.00 1CDR6465
+ATOM 6247 C GLU 76 5.319 11.184 -14.067 1.00 0.00 1CDR6466
+ATOM 6248 O GLU 76 4.533 10.933 -14.960 1.00 0.00 1CDR6467
+ATOM 6249 CB GLU 76 7.382 9.844 -13.623 1.00 0.00 1CDR6468
+ATOM 6250 CG GLU 76 7.426 9.253 -15.033 1.00 0.00 1CDR6469
+ATOM 6251 CD GLU 76 7.793 10.348 -16.036 1.00 0.00 1CDR6470
+ATOM 6252 OE1 GLU 76 6.990 11.247 -16.222 1.00 0.00 1CDR6471
+ATOM 6253 OE2 GLU 76 8.871 10.270 -16.599 1.00 0.00 1CDR6472
+ATOM 6254 H GLU 76 5.616 7.980 -13.626 1.00 0.00 1CDR6473
+ATOM 6255 HA GLU 76 5.886 10.355 -12.170 1.00 0.00 1CDR6474
+ATOM 6256 1HB GLU 76 7.909 10.787 -13.611 1.00 0.00 1CDR6475
+ATOM 6257 2HB GLU 76 7.850 9.160 -12.933 1.00 0.00 1CDR6476
+ATOM 6258 1HG GLU 76 8.166 8.467 -15.069 1.00 0.00 1CDR6477
+ATOM 6259 2HG GLU 76 6.457 8.848 -15.284 1.00 0.00 1CDR6478
+ATOM 6260 N ASN 77 5.673 12.412 -13.804 1.00 0.00 1CDR6479
+ATOM 6261 CA ASN 77 5.111 13.534 -14.607 1.00 0.00 1CDR6480
+ATOM 6262 C ASN 77 6.201 14.114 -15.511 1.00 0.00 1CDR6481
+ATOM 6263 O ASN 77 7.324 14.233 -15.050 1.00 0.00 1CDR6482
+ATOM 6264 CB ASN 77 4.596 14.627 -13.667 1.00 0.00 1CDR6483
+ATOM 6265 CG ASN 77 3.397 15.328 -14.309 1.00 0.00 1CDR6484
+ATOM 6266 OD1 ASN 77 3.376 16.538 -14.423 1.00 0.00 1CDR6485
+ATOM 6267 ND2 ASN 77 2.392 14.615 -14.738 1.00 0.00 1CDR6486
+ATOM 6268 OXT ASN 77 5.894 14.425 -16.649 1.00 0.00 1CDR6487
+ATOM 6269 H ASN 77 6.307 12.595 -13.079 1.00 0.00 1CDR6488
+ATOM 6270 HA ASN 77 4.296 13.169 -15.215 1.00 0.00 1CDR6489
+ATOM 6271 1HB ASN 77 4.294 14.181 -12.730 1.00 0.00 1CDR6490
+ATOM 6272 2HB ASN 77 5.379 15.347 -13.488 1.00 0.00 1CDR6491
+ATOM 6273 1HD2 ASN 77 1.620 15.055 -15.150 1.00 0.00 1CDR6492
+ATOM 6274 2HD2 ASN 77 2.409 13.639 -14.645 1.00 0.00 1CDR6493
+TER 6275 ASN 77 1CDR6494
+HETATM 6276 C1 NAG 78 9.579 -11.402 1.548 1.00 0.00 1 1CDR6495
+HETATM 6277 C2 NAG 78 10.545 -10.257 1.825 1.00 0.00 1 1CDR6496
+HETATM 6278 C3 NAG 78 11.582 -10.724 2.830 1.00 0.00 1 1CDR6497
+HETATM 6279 C4 NAG 78 10.858 -11.150 4.093 1.00 0.00 1 1CDR6498
+HETATM 6280 C5 NAG 78 9.886 -12.274 3.751 1.00 0.00 1 1CDR6499
+HETATM 6281 C6 NAG 78 9.101 -12.768 4.950 1.00 0.00 1 1CDR6500
+HETATM 6282 C7 NAG 78 11.514 -8.585 0.425 1.00 0.00 1 1CDR6501
+HETATM 6283 C8 NAG 78 12.190 -8.209 -0.884 1.00 0.00 1 1CDR6502
+HETATM 6284 N2 NAG 78 11.191 -9.837 0.597 1.00 0.00 1 1CDR6503
+HETATM 6285 O3 NAG 78 12.495 -9.673 3.111 1.00 0.00 1 1CDR6504
+HETATM 6286 O4 NAG 78 11.807 -11.600 5.079 1.00 0.00 1 1CDR6505
+HETATM 6287 O5 NAG 78 8.933 -11.817 2.763 1.00 0.00 1 1CDR6506
+HETATM 6288 O6 NAG 78 7.886 -12.011 5.093 1.00 0.00 1 1CDR6507
+HETATM 6289 O7 NAG 78 11.284 -7.754 1.281 1.00 0.00 1 1CDR6508
+HETATM 6290 H1 NAG 78 10.132 -12.272 1.159 1.00 0.00 1 1CDR6509
+HETATM 6291 H2 NAG 78 9.986 -9.415 2.255 1.00 0.00 1 1CDR6510
+HETATM 6292 H3 NAG 78 12.117 -11.589 2.414 1.00 0.00 1 1CDR6511
+HETATM 6293 H4 NAG 78 10.289 -10.293 4.483 1.00 0.00 1 1CDR6512
+HETATM 6294 H5 NAG 78 10.443 -13.114 3.313 1.00 0.00 1 1CDR6513
+HETATM 6295 1H6 NAG 78 9.721 -12.664 5.853 1.00 0.00 1 1CDR6514
+HETATM 6296 2H6 NAG 78 8.870 -13.834 4.814 1.00 0.00 1 1CDR6515
+HETATM 6297 1H8 NAG 78 11.785 -8.812 -1.708 1.00 0.00 1 1CDR6516
+HETATM 6298 2H8 NAG 78 13.272 -8.385 -0.819 1.00 0.00 1 1CDR6517
+HETATM 6299 3H8 NAG 78 12.019 -7.147 -1.110 1.00 0.00 1 1CDR6518
+HETATM 6300 HN2 NAG 78 11.386 -10.495 -0.104 1.00 0.00 1 1CDR6519
+HETATM 6301 HO3 NAG 78 12.963 -9.867 3.926 1.00 0.00 1 1CDR6520
+HETATM 6302 C1 NAG 79 11.730 -10.985 6.317 1.00 0.00 1CDR6521
+HETATM 6303 C2 NAG 79 12.193 -11.947 7.403 1.00 0.00 1CDR6522
+HETATM 6304 C3 NAG 79 12.127 -11.233 8.741 1.00 0.00 1CDR6523
+HETATM 6305 C4 NAG 79 13.020 -10.007 8.671 1.00 0.00 1CDR6524
+HETATM 6306 C5 NAG 79 12.526 -9.102 7.546 1.00 0.00 1CDR6525
+HETATM 6307 C6 NAG 79 13.360 -7.847 7.382 1.00 0.00 1CDR6526
+HETATM 6308 C7 NAG 79 11.720 -14.200 6.778 1.00 0.00 1CDR6527
+HETATM 6309 C8 NAG 79 10.790 -15.400 6.831 1.00 0.00 1CDR6528
+HETATM 6310 N2 NAG 79 11.350 -13.126 7.419 1.00 0.00 1CDR6529
+HETATM 6311 O3 NAG 79 12.557 -12.100 9.782 1.00 0.00 1CDR6530
+HETATM 6312 O4 NAG 79 12.987 -9.315 9.910 1.00 0.00 1CDR6531
+HETATM 6313 O5 NAG 79 12.561 -9.814 6.289 1.00 0.00 1CDR6532
+HETATM 6314 O6 NAG 79 14.675 -8.030 7.889 1.00 0.00 1CDR6533
+HETATM 6315 O7 NAG 79 12.770 -14.238 6.167 1.00 0.00 1CDR6534
+HETATM 6316 H1 NAG 79 10.697 -10.659 6.513 1.00 0.00 1CDR6535
+HETATM 6317 H2 NAG 79 13.235 -12.237 7.204 1.00 0.00 1CDR6536
+HETATM 6318 H3 NAG 79 11.092 -10.910 8.923 1.00 0.00 1CDR6537
+HETATM 6319 H4 NAG 79 14.047 -10.328 8.446 1.00 0.00 1CDR6538
+HETATM 6320 H5 NAG 79 11.483 -8.818 7.742 1.00 0.00 1CDR6539
+HETATM 6321 1H6 NAG 79 12.865 -7.021 7.911 1.00 0.00 1CDR6540
+HETATM 6322 2H6 NAG 79 13.403 -7.588 6.315 1.00 0.00 1CDR6541
+HETATM 6323 1H8 NAG 79 10.817 -15.861 7.828 1.00 0.00 1CDR6542
+HETATM 6324 2H8 NAG 79 11.092 -16.151 6.087 1.00 0.00 1CDR6543
+HETATM 6325 3H8 NAG 79 9.756 -15.089 6.616 1.00 0.00 1CDR6544
+HETATM 6326 HN2 NAG 79 10.503 -13.115 7.911 1.00 0.00 1CDR6545
+HETATM 6327 HO4 NAG 79 13.251 -8.402 9.771 1.00 0.00 1CDR6546
+HETATM 6328 HO3 NAG 79 12.589 -13.002 9.451 1.00 0.00 1CDR6547
+HETATM 6329 HO6 NAG 79 14.845 -7.378 8.572 1.00 0.00 1CDR6548
+HETATM 6330 C1 FUC 80 7.900 -11.229 6.252 1.00 0.00 1CDR6549
+HETATM 6331 C2 FUC 80 6.502 -10.673 6.492 1.00 0.00 1CDR6550
+HETATM 6332 C3 FUC 80 5.550 -11.830 6.748 1.00 0.00 1CDR6551
+HETATM 6333 C4 FUC 80 6.051 -12.595 7.964 1.00 0.00 1CDR6552
+HETATM 6334 C5 FUC 80 7.462 -13.101 7.680 1.00 0.00 1CDR6553
+HETATM 6335 C6 FUC 80 8.067 -13.856 8.847 1.00 0.00 1CDR6554
+HETATM 6336 O2 FUC 80 6.076 -9.931 5.359 1.00 0.00 1CDR6555
+HETATM 6337 O3 FUC 80 4.236 -11.340 6.976 1.00 0.00 1CDR6556
+HETATM 6338 O4 FUC 80 6.056 -11.746 9.102 1.00 0.00 1CDR6557
+HETATM 6339 O5 FUC 80 8.327 -11.982 7.385 1.00 0.00 1CDR6558
+HETATM 6340 H1 FUC 80 8.616 -10.402 6.124 1.00 0.00 1CDR6559
+HETATM 6341 H2 FUC 80 6.525 -10.026 7.381 1.00 0.00 1CDR6560
+HETATM 6342 H3 FUC 80 5.559 -12.501 5.877 1.00 0.00 1CDR6561
+HETATM 6343 H4 FUC 80 5.392 -13.456 8.139 1.00 0.00 1CDR6562
+HETATM 6344 H5 FUC 80 7.443 -13.752 6.796 1.00 0.00 1CDR6563
+HETATM 6345 1H6 FUC 80 8.828 -14.560 8.483 1.00 0.00 1CDR6564
+HETATM 6346 2H6 FUC 80 7.283 -14.417 9.375 1.00 0.00 1CDR6565
+HETATM 6347 3H6 FUC 80 8.536 -13.150 9.546 1.00 0.00 1CDR6566
+HETATM 6348 HO2 FUC 80 6.525 -10.258 4.576 1.00 0.00 1CDR6567
+HETATM 6349 HO3 FUC 80 3.929 -11.632 7.838 1.00 0.00 1CDR6568
+HETATM 6350 HO4 FUC 80 6.784 -11.124 9.034 1.00 0.00 1CDR6569
+ENDMDL 1CDR6570
+MODEL 6 1CDR6571
+ATOM 6351 N LEU 1 4.277 -12.206 -6.435 1.00 0.00 1CDR6572
+ATOM 6352 CA LEU 1 3.934 -10.780 -6.695 1.00 0.00 1CDR6573
+ATOM 6353 C LEU 1 4.334 -9.933 -5.486 1.00 0.00 1CDR6574
+ATOM 6354 O LEU 1 3.623 -9.864 -4.504 1.00 0.00 1CDR6575
+ATOM 6355 CB LEU 1 2.427 -10.650 -6.932 1.00 0.00 1CDR6576
+ATOM 6356 CG LEU 1 2.169 -9.609 -8.023 1.00 0.00 1CDR6577
+ATOM 6357 CD1 LEU 1 2.636 -8.234 -7.540 1.00 0.00 1CDR6578
+ATOM 6358 CD2 LEU 1 2.943 -9.991 -9.286 1.00 0.00 1CDR6579
+ATOM 6359 1H LEU 1 4.164 -12.411 -5.422 1.00 0.00 1CDR6580
+ATOM 6360 2H LEU 1 3.644 -12.821 -6.987 1.00 0.00 1CDR6581
+ATOM 6361 3H LEU 1 5.263 -12.382 -6.713 1.00 0.00 1CDR6582
+ATOM 6362 HA LEU 1 4.468 -10.434 -7.569 1.00 0.00 1CDR6583
+ATOM 6363 1HB LEU 1 2.028 -11.605 -7.242 1.00 0.00 1CDR6584
+ATOM 6364 2HB LEU 1 1.945 -10.338 -6.018 1.00 0.00 1CDR6585
+ATOM 6365 HG LEU 1 1.112 -9.573 -8.243 1.00 0.00 1CDR6586
+ATOM 6366 1HD1 LEU 1 2.505 -8.165 -6.470 1.00 0.00 1CDR6587
+ATOM 6367 2HD1 LEU 1 3.680 -8.104 -7.784 1.00 0.00 1CDR6588
+ATOM 6368 3HD1 LEU 1 2.054 -7.465 -8.025 1.00 0.00 1CDR6589
+ATOM 6369 1HD2 LEU 1 3.430 -10.943 -9.135 1.00 0.00 1CDR6590
+ATOM 6370 2HD2 LEU 1 2.260 -10.064 -10.119 1.00 0.00 1CDR6591
+ATOM 6371 3HD2 LEU 1 3.686 -9.236 -9.496 1.00 0.00 1CDR6592
+ATOM 6372 N GLN 2 5.465 -9.288 -5.551 1.00 0.00 1CDR6593
+ATOM 6373 CA GLN 2 5.909 -8.448 -4.406 1.00 0.00 1CDR6594
+ATOM 6374 C GLN 2 5.546 -6.989 -4.677 1.00 0.00 1CDR6595
+ATOM 6375 O GLN 2 5.428 -6.568 -5.809 1.00 0.00 1CDR6596
+ATOM 6376 CB GLN 2 7.424 -8.574 -4.240 1.00 0.00 1CDR6597
+ATOM 6377 CG GLN 2 7.812 -10.052 -4.194 1.00 0.00 1CDR6598
+ATOM 6378 CD GLN 2 8.915 -10.323 -5.218 1.00 0.00 1CDR6599
+ATOM 6379 OE1 GLN 2 8.735 -11.104 -6.132 1.00 0.00 1CDR6600
+ATOM 6380 NE2 GLN 2 10.060 -9.707 -5.104 1.00 0.00 1CDR6601
+ATOM 6381 H GLN 2 6.025 -9.357 -6.352 1.00 0.00 1CDR6602
+ATOM 6382 HA GLN 2 5.418 -8.779 -3.502 1.00 0.00 1CDR6603
+ATOM 6383 1HB GLN 2 7.917 -8.096 -5.075 1.00 0.00 1CDR6604
+ATOM 6384 2HB GLN 2 7.727 -8.096 -3.321 1.00 0.00 1CDR6605
+ATOM 6385 1HG GLN 2 8.168 -10.301 -3.205 1.00 0.00 1CDR6606
+ATOM 6386 2HG GLN 2 6.949 -10.658 -4.430 1.00 0.00 1CDR6607
+ATOM 6387 1HE2 GLN 2 10.775 -9.875 -5.753 1.00 0.00 1CDR6608
+ATOM 6388 2HE2 GLN 2 10.206 -9.076 -4.368 1.00 0.00 1CDR6609
+ATOM 6389 N CYS 3 5.369 -6.217 -3.645 1.00 0.00 1CDR6610
+ATOM 6390 CA CYS 3 5.018 -4.784 -3.840 1.00 0.00 1CDR6611
+ATOM 6391 C CYS 3 5.706 -3.944 -2.762 1.00 0.00 1CDR6612
+ATOM 6392 O CYS 3 6.420 -4.459 -1.925 1.00 0.00 1CDR6613
+ATOM 6393 CB CYS 3 3.505 -4.610 -3.734 1.00 0.00 1CDR6614
+ATOM 6394 SG CYS 3 2.679 -5.834 -4.784 1.00 0.00 1CDR6615
+ATOM 6395 H CYS 3 5.470 -6.578 -2.740 1.00 0.00 1CDR6616
+ATOM 6396 HA CYS 3 5.346 -4.462 -4.813 1.00 0.00 1CDR6617
+ATOM 6397 1HB CYS 3 3.205 -4.753 -2.712 1.00 0.00 1CDR6618
+ATOM 6398 2HB CYS 3 3.233 -3.616 -4.056 1.00 0.00 1CDR6619
+ATOM 6399 N TYR 4 5.503 -2.656 -2.775 1.00 0.00 1CDR6620
+ATOM 6400 CA TYR 4 6.152 -1.793 -1.750 1.00 0.00 1CDR6621
+ATOM 6401 C TYR 4 5.155 -1.484 -0.632 1.00 0.00 1CDR6622
+ATOM 6402 O TYR 4 4.243 -0.700 -0.799 1.00 0.00 1CDR6623
+ATOM 6403 CB TYR 4 6.609 -0.487 -2.399 1.00 0.00 1CDR6624
+ATOM 6404 CG TYR 4 7.760 -0.766 -3.337 1.00 0.00 1CDR6625
+ATOM 6405 CD1 TYR 4 7.518 -1.341 -4.591 1.00 0.00 1CDR6626
+ATOM 6406 CD2 TYR 4 9.068 -0.450 -2.953 1.00 0.00 1CDR6627
+ATOM 6407 CE1 TYR 4 8.584 -1.597 -5.460 1.00 0.00 1CDR6628
+ATOM 6408 CE2 TYR 4 10.135 -0.705 -3.823 1.00 0.00 1CDR6629
+ATOM 6409 CZ TYR 4 9.893 -1.279 -5.076 1.00 0.00 1CDR6630
+ATOM 6410 OH TYR 4 10.944 -1.532 -5.933 1.00 0.00 1CDR6631
+ATOM 6411 H TYR 4 4.925 -2.257 -3.459 1.00 0.00 1CDR6632
+ATOM 6412 HA TYR 4 7.007 -2.307 -1.337 1.00 0.00 1CDR6633
+ATOM 6413 1HB TYR 4 5.789 -0.055 -2.954 1.00 0.00 1CDR6634
+ATOM 6414 2HB TYR 4 6.930 0.203 -1.634 1.00 0.00 1CDR6635
+ATOM 6415 HD1 TYR 4 6.509 -1.586 -4.888 1.00 0.00 1CDR6636
+ATOM 6416 HD2 TYR 4 9.255 -0.007 -1.986 1.00 0.00 1CDR6637
+ATOM 6417 HE1 TYR 4 8.398 -2.040 -6.427 1.00 0.00 1CDR6638
+ATOM 6418 HE2 TYR 4 11.144 -0.460 -3.526 1.00 0.00 1CDR6639
+ATOM 6419 HH TYR 4 10.603 -1.521 -6.831 1.00 0.00 1CDR6640
+ATOM 6420 N ASN 5 5.324 -2.094 0.510 1.00 0.00 1CDR6641
+ATOM 6421 CA ASN 5 4.389 -1.832 1.639 1.00 0.00 1CDR6642
+ATOM 6422 C ASN 5 4.862 -0.597 2.409 1.00 0.00 1CDR6643
+ATOM 6423 O ASN 5 5.780 -0.662 3.202 1.00 0.00 1CDR6644
+ATOM 6424 CB ASN 5 4.370 -3.046 2.574 1.00 0.00 1CDR6645
+ATOM 6425 CG ASN 5 3.350 -2.817 3.691 1.00 0.00 1CDR6646
+ATOM 6426 OD1 ASN 5 2.320 -2.209 3.476 1.00 0.00 1CDR6647
+ATOM 6427 ND2 ASN 5 3.595 -3.281 4.886 1.00 0.00 1CDR6648
+ATOM 6428 H ASN 5 6.069 -2.721 0.624 1.00 0.00 1CDR6649
+ATOM 6429 HA ASN 5 3.396 -1.658 1.253 1.00 0.00 1CDR6650
+ATOM 6430 1HB ASN 5 4.097 -3.927 2.013 1.00 0.00 1CDR6651
+ATOM 6431 2HB ASN 5 5.350 -3.183 3.006 1.00 0.00 1CDR6652
+ATOM 6432 1HD2 ASN 5 2.949 -3.140 5.609 1.00 0.00 1CDR6653
+ATOM 6433 2HD2 ASN 5 4.426 -3.772 5.061 1.00 0.00 1CDR6654
+ATOM 6434 N CYS 6 4.245 0.531 2.180 1.00 0.00 1CDR6655
+ATOM 6435 CA CYS 6 4.662 1.769 2.895 1.00 0.00 1CDR6656
+ATOM 6436 C CYS 6 3.497 2.274 3.756 1.00 0.00 1CDR6657
+ATOM 6437 O CYS 6 2.431 2.552 3.243 1.00 0.00 1CDR6658
+ATOM 6438 CB CYS 6 5.038 2.838 1.869 1.00 0.00 1CDR6659
+ATOM 6439 SG CYS 6 6.088 2.103 0.592 1.00 0.00 1CDR6660
+ATOM 6440 H CYS 6 3.509 0.565 1.535 1.00 0.00 1CDR6661
+ATOM 6441 HA CYS 6 5.516 1.551 3.515 1.00 0.00 1CDR6662
+ATOM 6442 1HB CYS 6 4.141 3.232 1.415 1.00 0.00 1CDR6663
+ATOM 6443 2HB CYS 6 5.573 3.636 2.361 1.00 0.00 1CDR6664
+ATOM 6444 N PRO 7 3.729 2.376 5.040 1.00 0.00 1CDR6665
+ATOM 6445 CA PRO 7 2.706 2.843 5.992 1.00 0.00 1CDR6666
+ATOM 6446 C PRO 7 2.593 4.369 5.946 1.00 0.00 1CDR6667
+ATOM 6447 O PRO 7 1.775 4.960 6.624 1.00 0.00 1CDR6668
+ATOM 6448 CB PRO 7 3.243 2.385 7.349 1.00 0.00 1CDR6669
+ATOM 6449 CG PRO 7 4.770 2.209 7.174 1.00 0.00 1CDR6670
+ATOM 6450 CD PRO 7 5.023 2.036 5.665 1.00 0.00 1CDR6671
+ATOM 6451 HA PRO 7 1.753 2.379 5.793 1.00 0.00 1CDR6672
+ATOM 6452 1HB PRO 7 3.035 3.134 8.101 1.00 0.00 1CDR6673
+ATOM 6453 2HB PRO 7 2.797 1.444 7.627 1.00 0.00 1CDR6674
+ATOM 6454 1HG PRO 7 5.286 3.086 7.539 1.00 0.00 1CDR6675
+ATOM 6455 2HG PRO 7 5.105 1.332 7.702 1.00 0.00 1CDR6676
+ATOM 6456 1HD PRO 7 5.798 2.714 5.332 1.00 0.00 1CDR6677
+ATOM 6457 2HD PRO 7 5.288 1.016 5.440 1.00 0.00 1CDR6678
+ATOM 6458 N ASN 8 3.412 5.013 5.162 1.00 0.00 1CDR6679
+ATOM 6459 CA ASN 8 3.349 6.502 5.089 1.00 0.00 1CDR6680
+ATOM 6460 C ASN 8 3.300 6.959 3.626 1.00 0.00 1CDR6681
+ATOM 6461 O ASN 8 3.948 6.380 2.776 1.00 0.00 1CDR6682
+ATOM 6462 CB ASN 8 4.589 7.097 5.760 1.00 0.00 1CDR6683
+ATOM 6463 CG ASN 8 4.897 6.323 7.043 1.00 0.00 1CDR6684
+ATOM 6464 OD1 ASN 8 5.380 5.208 6.993 1.00 0.00 1CDR6685
+ATOM 6465 ND2 ASN 8 4.638 6.870 8.199 1.00 0.00 1CDR6686
+ATOM 6466 H ASN 8 4.070 4.518 4.627 1.00 0.00 1CDR6687
+ATOM 6467 HA ASN 8 2.466 6.846 5.603 1.00 0.00 1CDR6688
+ATOM 6468 1HB ASN 8 5.430 7.030 5.086 1.00 0.00 1CDR6689
+ATOM 6469 2HB ASN 8 4.405 8.133 6.003 1.00 0.00 1CDR6690
+ATOM 6470 1HD2 ASN 8 4.833 6.383 9.027 1.00 0.00 1CDR6691
+ATOM 6471 2HD2 ASN 8 4.249 7.769 8.241 1.00 0.00 1CDR6692
+ATOM 6472 N PRO 9 2.532 7.994 3.380 1.00 0.00 1CDR6693
+ATOM 6473 CA PRO 9 2.380 8.565 2.032 1.00 0.00 1CDR6694
+ATOM 6474 C PRO 9 3.581 9.448 1.700 1.00 0.00 1CDR6695
+ATOM 6475 O PRO 9 3.537 10.656 1.828 1.00 0.00 1CDR6696
+ATOM 6476 CB PRO 9 1.100 9.398 2.134 1.00 0.00 1CDR6697
+ATOM 6477 CG PRO 9 0.913 9.721 3.636 1.00 0.00 1CDR6698
+ATOM 6478 CD PRO 9 1.746 8.688 4.419 1.00 0.00 1CDR6699
+ATOM 6479 HA PRO 9 2.266 7.787 1.296 1.00 0.00 1CDR6700
+ATOM 6480 1HB PRO 9 1.207 10.311 1.564 1.00 0.00 1CDR6701
+ATOM 6481 2HB PRO 9 0.258 8.830 1.776 1.00 0.00 1CDR6702
+ATOM 6482 1HG PRO 9 1.267 10.722 3.845 1.00 0.00 1CDR6703
+ATOM 6483 2HG PRO 9 -0.127 9.632 3.908 1.00 0.00 1CDR6704
+ATOM 6484 1HD PRO 9 2.398 9.186 5.123 1.00 0.00 1CDR6705
+ATOM 6485 2HD PRO 9 1.101 7.988 4.927 1.00 0.00 1CDR6706
+ATOM 6486 N THR 10 4.653 8.846 1.280 1.00 0.00 1CDR6707
+ATOM 6487 CA THR 10 5.870 9.637 0.941 1.00 0.00 1CDR6708
+ATOM 6488 C THR 10 6.140 9.548 -0.561 1.00 0.00 1CDR6709
+ATOM 6489 O THR 10 5.616 8.694 -1.248 1.00 0.00 1CDR6710
+ATOM 6490 CB THR 10 7.071 9.079 1.708 1.00 0.00 1CDR6711
+ATOM 6491 OG1 THR 10 8.219 9.866 1.422 1.00 0.00 1CDR6712
+ATOM 6492 CG2 THR 10 7.323 7.631 1.283 1.00 0.00 1CDR6713
+ATOM 6493 H THR 10 4.657 7.870 1.192 1.00 0.00 1CDR6714
+ATOM 6494 HA THR 10 5.715 10.669 1.219 1.00 0.00 1CDR6715
+ATOM 6495 HB THR 10 6.869 9.108 2.768 1.00 0.00 1CDR6716
+ATOM 6496 HG1 THR 10 7.972 10.790 1.502 1.00 0.00 1CDR6717
+ATOM 6497 1HG2 THR 10 6.382 7.156 1.049 1.00 0.00 1CDR6718
+ATOM 6498 2HG2 THR 10 7.960 7.618 0.411 1.00 0.00 1CDR6719
+ATOM 6499 3HG2 THR 10 7.804 7.098 2.089 1.00 0.00 1CDR6720
+ATOM 6500 N ALA 11 6.956 10.427 -1.077 1.00 0.00 1CDR6721
+ATOM 6501 CA ALA 11 7.263 10.397 -2.534 1.00 0.00 1CDR6722
+ATOM 6502 C ALA 11 8.638 9.764 -2.751 1.00 0.00 1CDR6723
+ATOM 6503 O ALA 11 9.385 10.163 -3.622 1.00 0.00 1CDR6724
+ATOM 6504 CB ALA 11 7.266 11.824 -3.084 1.00 0.00 1CDR6725
+ATOM 6505 H ALA 11 7.367 11.107 -0.504 1.00 0.00 1CDR6726
+ATOM 6506 HA ALA 11 6.513 9.813 -3.049 1.00 0.00 1CDR6727
+ATOM 6507 1HB ALA 11 7.238 12.526 -2.264 1.00 0.00 1CDR6728
+ATOM 6508 2HB ALA 11 8.163 11.984 -3.665 1.00 0.00 1CDR6729
+ATOM 6509 3HB ALA 11 6.401 11.970 -3.713 1.00 0.00 1CDR6730
+ATOM 6510 N ASP 12 8.980 8.783 -1.963 1.00 0.00 1CDR6731
+ATOM 6511 CA ASP 12 10.308 8.126 -2.121 1.00 0.00 1CDR6732
+ATOM 6512 C ASP 12 10.382 6.907 -1.200 1.00 0.00 1CDR6733
+ATOM 6513 O ASP 12 11.395 6.642 -0.584 1.00 0.00 1CDR6734
+ATOM 6514 CB ASP 12 11.414 9.117 -1.752 1.00 0.00 1CDR6735
+ATOM 6515 CG ASP 12 10.964 9.957 -0.556 1.00 0.00 1CDR6736
+ATOM 6516 OD1 ASP 12 10.006 10.697 -0.704 1.00 0.00 1CDR6737
+ATOM 6517 OD2 ASP 12 11.587 9.848 0.488 1.00 0.00 1CDR6738
+ATOM 6518 H ASP 12 8.363 8.477 -1.265 1.00 0.00 1CDR6739
+ATOM 6519 HA ASP 12 10.434 7.811 -3.147 1.00 0.00 1CDR6740
+ATOM 6520 1HB ASP 12 12.313 8.573 -1.494 1.00 0.00 1CDR6741
+ATOM 6521 2HB ASP 12 11.613 9.765 -2.591 1.00 0.00 1CDR6742
+ATOM 6522 N CYS 13 9.315 6.166 -1.100 1.00 0.00 1CDR6743
+ATOM 6523 CA CYS 13 9.318 4.966 -0.219 1.00 0.00 1CDR6744
+ATOM 6524 C CYS 13 10.218 3.887 -0.826 1.00 0.00 1CDR6745
+ATOM 6525 O CYS 13 10.511 3.898 -2.005 1.00 0.00 1CDR6746
+ATOM 6526 CB CYS 13 7.893 4.428 -0.090 1.00 0.00 1CDR6747
+ATOM 6527 SG CYS 13 7.906 2.921 0.912 1.00 0.00 1CDR6748
+ATOM 6528 H CYS 13 8.508 6.399 -1.606 1.00 0.00 1CDR6749
+ATOM 6529 HA CYS 13 9.690 5.237 0.757 1.00 0.00 1CDR6750
+ATOM 6530 1HB CYS 13 7.270 5.171 0.386 1.00 0.00 1CDR6751
+ATOM 6531 2HB CYS 13 7.502 4.205 -1.071 1.00 0.00 1CDR6752
+ATOM 6532 N LYS 14 10.662 2.954 -0.028 1.00 0.00 1CDR6753
+ATOM 6533 CA LYS 14 11.543 1.877 -0.560 1.00 0.00 1CDR6754
+ATOM 6534 C LYS 14 11.362 0.609 0.277 1.00 0.00 1CDR6755
+ATOM 6535 O LYS 14 12.305 -0.108 0.546 1.00 0.00 1CDR6756
+ATOM 6536 CB LYS 14 13.002 2.331 -0.486 1.00 0.00 1CDR6757
+ATOM 6537 CG LYS 14 13.220 3.139 0.793 1.00 0.00 1CDR6758
+ATOM 6538 CD LYS 14 14.532 2.709 1.455 1.00 0.00 1CDR6759
+ATOM 6539 CE LYS 14 15.708 3.364 0.729 1.00 0.00 1CDR6760
+ATOM 6540 NZ LYS 14 16.388 2.353 -0.130 1.00 0.00 1CDR6761
+ATOM 6541 H LYS 14 10.416 2.963 0.922 1.00 0.00 1CDR6762
+ATOM 6542 HA LYS 14 11.282 1.672 -1.587 1.00 0.00 1CDR6763
+ATOM 6543 1HB LYS 14 13.647 1.464 -0.481 1.00 0.00 1CDR6764
+ATOM 6544 2HB LYS 14 13.231 2.946 -1.343 1.00 0.00 1CDR6765
+ATOM 6545 1HG LYS 14 13.266 4.191 0.551 1.00 0.00 1CDR6766
+ATOM 6546 2HG LYS 14 12.401 2.962 1.475 1.00 0.00 1CDR6767
+ATOM 6547 1HD LYS 14 14.530 3.016 2.489 1.00 0.00 1CDR6768
+ATOM 6548 2HD LYS 14 14.628 1.635 1.398 1.00 0.00 1CDR6769
+ATOM 6549 1HE LYS 14 15.346 4.175 0.115 1.00 0.00 1CDR6770
+ATOM 6550 2HE LYS 14 16.409 3.749 1.455 1.00 0.00 1CDR6771
+ATOM 6551 1HZ LYS 14 15.945 1.424 0.010 1.00 0.00 1CDR6772
+ATOM 6552 2HZ LYS 14 16.299 2.632 -1.129 1.00 0.00 1CDR6773
+ATOM 6553 3HZ LYS 14 17.393 2.299 0.128 1.00 0.00 1CDR6774
+ATOM 6554 N THR 15 10.158 0.324 0.690 1.00 0.00 1CDR6775
+ATOM 6555 CA THR 15 9.922 -0.899 1.507 1.00 0.00 1CDR6776
+ATOM 6556 C THR 15 9.486 -2.045 0.592 1.00 0.00 1CDR6777
+ATOM 6557 O THR 15 8.316 -2.217 0.312 1.00 0.00 1CDR6778
+ATOM 6558 CB THR 15 8.826 -0.620 2.537 1.00 0.00 1CDR6779
+ATOM 6559 OG1 THR 15 9.219 0.469 3.361 1.00 0.00 1CDR6780
+ATOM 6560 CG2 THR 15 8.608 -1.863 3.403 1.00 0.00 1CDR6781
+ATOM 6561 H THR 15 9.408 0.914 0.462 1.00 0.00 1CDR6782
+ATOM 6562 HA THR 15 10.834 -1.172 2.015 1.00 0.00 1CDR6783
+ATOM 6563 HB THR 15 7.907 -0.375 2.029 1.00 0.00 1CDR6784
+ATOM 6564 HG1 THR 15 10.000 0.203 3.853 1.00 0.00 1CDR6785
+ATOM 6565 1HG2 THR 15 9.541 -2.148 3.865 1.00 0.00 1CDR6786
+ATOM 6566 2HG2 THR 15 7.878 -1.644 4.168 1.00 0.00 1CDR6787
+ATOM 6567 3HG2 THR 15 8.250 -2.673 2.785 1.00 0.00 1CDR6788
+ATOM 6568 N ALA 16 10.417 -2.830 0.123 1.00 0.00 1CDR6789
+ATOM 6569 CA ALA 16 10.054 -3.962 -0.775 1.00 0.00 1CDR6790
+ATOM 6570 C ALA 16 9.761 -5.206 0.065 1.00 0.00 1CDR6791
+ATOM 6571 O ALA 16 10.560 -5.615 0.884 1.00 0.00 1CDR6792
+ATOM 6572 CB ALA 16 11.216 -4.251 -1.728 1.00 0.00 1CDR6793
+ATOM 6573 H ALA 16 11.355 -2.673 0.358 1.00 0.00 1CDR6794
+ATOM 6574 HA ALA 16 9.177 -3.701 -1.348 1.00 0.00 1CDR6795
+ATOM 6575 1HB ALA 16 11.660 -3.320 -2.048 1.00 0.00 1CDR6796
+ATOM 6576 2HB ALA 16 11.959 -4.847 -1.218 1.00 0.00 1CDR6797
+ATOM 6577 3HB ALA 16 10.850 -4.791 -2.589 1.00 0.00 1CDR6798
+ATOM 6578 N VAL 17 8.624 -5.812 -0.132 1.00 0.00 1CDR6799
+ATOM 6579 CA VAL 17 8.282 -7.029 0.654 1.00 0.00 1CDR6800
+ATOM 6580 C VAL 17 7.211 -7.830 -0.090 1.00 0.00 1CDR6801
+ATOM 6581 O VAL 17 6.349 -7.274 -0.740 1.00 0.00 1CDR6802
+ATOM 6582 CB VAL 17 7.752 -6.616 2.028 1.00 0.00 1CDR6803
+ATOM 6583 CG1 VAL 17 6.590 -5.636 1.853 1.00 0.00 1CDR6804
+ATOM 6584 CG2 VAL 17 7.264 -7.857 2.779 1.00 0.00 1CDR6805
+ATOM 6585 H VAL 17 7.994 -5.466 -0.798 1.00 0.00 1CDR6806
+ATOM 6586 HA VAL 17 9.166 -7.639 0.778 1.00 0.00 1CDR6807
+ATOM 6587 HB VAL 17 8.543 -6.140 2.590 1.00 0.00 1CDR6808
+ATOM 6588 1HG1 VAL 17 6.686 -5.130 0.904 1.00 0.00 1CDR6809
+ATOM 6589 2HG1 VAL 17 5.656 -6.177 1.881 1.00 0.00 1CDR6810
+ATOM 6590 3HG1 VAL 17 6.609 -4.911 2.653 1.00 0.00 1CDR6811
+ATOM 6591 1HG2 VAL 17 7.704 -8.741 2.339 1.00 0.00 1CDR6812
+ATOM 6592 2HG2 VAL 17 7.556 -7.788 3.817 1.00 0.00 1CDR6813
+ATOM 6593 3HG2 VAL 17 6.188 -7.920 2.712 1.00 0.00 1CDR6814
+ATOM 6594 N ASN 18 7.259 -9.131 0.000 1.00 0.00 1 1CDR6815
+ATOM 6595 CA ASN 18 6.243 -9.961 -0.704 1.00 0.00 1 1CDR6816
+ATOM 6596 C ASN 18 4.845 -9.560 -0.237 1.00 0.00 1 1CDR6817
+ATOM 6597 O ASN 18 4.685 -8.856 0.741 1.00 0.00 1 1CDR6818
+ATOM 6598 CB ASN 18 6.483 -11.440 -0.393 1.00 0.00 1 1CDR6819
+ATOM 6599 CG ASN 18 7.474 -12.015 -1.404 1.00 0.00 1 1CDR6820
+ATOM 6600 OD1 ASN 18 7.093 -12.555 -2.424 1.00 0.00 1 1CDR6821
+ATOM 6601 ND2 ASN 18 8.745 -11.908 -1.130 1.00 0.00 1 1CDR6822
+ATOM 6602 H ASN 18 7.963 -9.561 0.529 1.00 0.00 1 1CDR6823
+ATOM 6603 HA ASN 18 6.324 -9.802 -1.770 1.00 0.00 1 1CDR6824
+ATOM 6604 1HB ASN 18 6.885 -11.537 0.606 1.00 0.00 1 1CDR6825
+ATOM 6605 2HB ASN 18 5.550 -11.978 -0.459 1.00 0.00 1 1CDR6826
+ATOM 6606 HD2 ASN 18 9.033 -11.474 -0.301 1.00 0.00 1 1CDR6827
+ATOM 6607 N CYS 19 3.830 -9.998 -0.928 1.00 0.00 1CDR6828
+ATOM 6608 CA CYS 19 2.444 -9.636 -0.522 1.00 0.00 1CDR6829
+ATOM 6609 C CYS 19 1.604 -10.905 -0.372 1.00 0.00 1CDR6830
+ATOM 6610 O CYS 19 2.041 -11.994 -0.684 1.00 0.00 1CDR6831
+ATOM 6611 CB CYS 19 1.822 -8.734 -1.588 1.00 0.00 1CDR6832
+ATOM 6612 SG CYS 19 1.743 -7.038 -0.965 1.00 0.00 1CDR6833
+ATOM 6613 H CYS 19 3.980 -10.562 -1.716 1.00 0.00 1CDR6834
+ATOM 6614 HA CYS 19 2.473 -9.111 0.420 1.00 0.00 1CDR6835
+ATOM 6615 1HB CYS 19 2.427 -8.762 -2.482 1.00 0.00 1CDR6836
+ATOM 6616 2HB CYS 19 0.825 -9.082 -1.817 1.00 0.00 1CDR6837
+ATOM 6617 N SER 20 0.400 -10.769 0.109 1.00 0.00 1CDR6838
+ATOM 6618 CA SER 20 -0.475 -11.959 0.286 1.00 0.00 1CDR6839
+ATOM 6619 C SER 20 -1.893 -11.492 0.610 1.00 0.00 1CDR6840
+ATOM 6620 O SER 20 -2.297 -10.405 0.246 1.00 0.00 1CDR6841
+ATOM 6621 CB SER 20 0.055 -12.815 1.437 1.00 0.00 1CDR6842
+ATOM 6622 OG SER 20 1.436 -12.535 1.632 1.00 0.00 1CDR6843
+ATOM 6623 H SER 20 0.070 -9.879 0.356 1.00 0.00 1CDR6844
+ATOM 6624 HA SER 20 -0.486 -12.541 -0.623 1.00 0.00 1CDR6845
+ATOM 6625 1HB SER 20 -0.484 -12.584 2.341 1.00 0.00 1CDR6846
+ATOM 6626 2HB SER 20 -0.080 -13.862 1.198 1.00 0.00 1CDR6847
+ATOM 6627 HG SER 20 1.943 -13.199 1.159 1.00 0.00 1CDR6848
+ATOM 6628 N SER 21 -2.653 -12.300 1.293 1.00 0.00 1CDR6849
+ATOM 6629 CA SER 21 -4.043 -11.893 1.637 1.00 0.00 1CDR6850
+ATOM 6630 C SER 21 -4.800 -11.540 0.354 1.00 0.00 1CDR6851
+ATOM 6631 O SER 21 -5.664 -10.686 0.346 1.00 0.00 1CDR6852
+ATOM 6632 CB SER 21 -3.999 -10.671 2.556 1.00 0.00 1CDR6853
+ATOM 6633 OG SER 21 -5.320 -10.187 2.756 1.00 0.00 1CDR6854
+ATOM 6634 H SER 21 -2.310 -13.172 1.578 1.00 0.00 1CDR6855
+ATOM 6635 HA SER 21 -4.544 -12.706 2.141 1.00 0.00 1CDR6856
+ATOM 6636 1HB SER 21 -3.575 -10.949 3.506 1.00 0.00 1CDR6857
+ATOM 6637 2HB SER 21 -3.387 -9.903 2.102 1.00 0.00 1CDR6858
+ATOM 6638 HG SER 21 -5.686 -10.635 3.522 1.00 0.00 1CDR6859
+ATOM 6639 N ASP 22 -4.479 -12.194 -0.729 1.00 0.00 1CDR6860
+ATOM 6640 CA ASP 22 -5.175 -11.903 -2.014 1.00 0.00 1CDR6861
+ATOM 6641 C ASP 22 -4.617 -10.613 -2.621 1.00 0.00 1CDR6862
+ATOM 6642 O ASP 22 -5.352 -9.777 -3.106 1.00 0.00 1CDR6863
+ATOM 6643 CB ASP 22 -6.675 -11.741 -1.760 1.00 0.00 1CDR6864
+ATOM 6644 CG ASP 22 -7.439 -11.945 -3.069 1.00 0.00 1CDR6865
+ATOM 6645 OD1 ASP 22 -6.794 -12.050 -4.098 1.00 0.00 1CDR6866
+ATOM 6646 OD2 ASP 22 -8.657 -11.992 -3.020 1.00 0.00 1CDR6867
+ATOM 6647 H ASP 22 -3.778 -12.878 -0.698 1.00 0.00 1CDR6868
+ATOM 6648 HA ASP 22 -5.014 -12.720 -2.701 1.00 0.00 1CDR6869
+ATOM 6649 1HB ASP 22 -6.998 -12.474 -1.034 1.00 0.00 1CDR6870
+ATOM 6650 2HB ASP 22 -6.871 -10.748 -1.381 1.00 0.00 1CDR6871
+ATOM 6651 N PHE 23 -3.322 -10.444 -2.599 1.00 0.00 1CDR6872
+ATOM 6652 CA PHE 23 -2.719 -9.209 -3.177 1.00 0.00 1CDR6873
+ATOM 6653 C PHE 23 -1.794 -9.588 -4.335 1.00 0.00 1CDR6874
+ATOM 6654 O PHE 23 -0.633 -9.886 -4.141 1.00 0.00 1CDR6875
+ATOM 6655 CB PHE 23 -1.910 -8.479 -2.102 1.00 0.00 1CDR6876
+ATOM 6656 CG PHE 23 -2.819 -8.044 -0.974 1.00 0.00 1CDR6877
+ATOM 6657 CD1 PHE 23 -4.191 -7.860 -1.201 1.00 0.00 1CDR6878
+ATOM 6658 CD2 PHE 23 -2.286 -7.820 0.302 1.00 0.00 1CDR6879
+ATOM 6659 CE1 PHE 23 -5.025 -7.453 -0.153 1.00 0.00 1CDR6880
+ATOM 6660 CE2 PHE 23 -3.122 -7.413 1.349 1.00 0.00 1CDR6881
+ATOM 6661 CZ PHE 23 -4.491 -7.230 1.122 1.00 0.00 1CDR6882
+ATOM 6662 H PHE 23 -2.746 -11.131 -2.204 1.00 0.00 1CDR6883
+ATOM 6663 HA PHE 23 -3.502 -8.560 -3.542 1.00 0.00 1CDR6884
+ATOM 6664 1HB PHE 23 -1.151 -9.142 -1.714 1.00 0.00 1CDR6885
+ATOM 6665 2HB PHE 23 -1.438 -7.610 -2.536 1.00 0.00 1CDR6886
+ATOM 6666 HD1 PHE 23 -4.605 -8.032 -2.181 1.00 0.00 1CDR6887
+ATOM 6667 HD2 PHE 23 -1.229 -7.960 0.478 1.00 0.00 1CDR6888
+ATOM 6668 HE1 PHE 23 -6.081 -7.313 -0.327 1.00 0.00 1CDR6889
+ATOM 6669 HE2 PHE 23 -2.710 -7.240 2.333 1.00 0.00 1CDR6890
+ATOM 6670 HZ PHE 23 -5.135 -6.916 1.929 1.00 0.00 1CDR6891
+ATOM 6671 N ASP 24 -2.299 -9.580 -5.539 1.00 0.00 1CDR6892
+ATOM 6672 CA ASP 24 -1.445 -9.941 -6.706 1.00 0.00 1CDR6893
+ATOM 6673 C ASP 24 -1.293 -8.729 -7.628 1.00 0.00 1CDR6894
+ATOM 6674 O ASP 24 -0.795 -8.836 -8.732 1.00 0.00 1CDR6895
+ATOM 6675 CB ASP 24 -2.093 -11.092 -7.477 1.00 0.00 1CDR6896
+ATOM 6676 CG ASP 24 -1.029 -11.814 -8.305 1.00 0.00 1CDR6897
+ATOM 6677 OD1 ASP 24 -0.258 -12.558 -7.721 1.00 0.00 1CDR6898
+ATOM 6678 OD2 ASP 24 -1.001 -11.611 -9.507 1.00 0.00 1CDR6899
+ATOM 6679 H ASP 24 -3.238 -9.337 -5.676 1.00 0.00 1CDR6900
+ATOM 6680 HA ASP 24 -0.471 -10.248 -6.355 1.00 0.00 1CDR6901
+ATOM 6681 1HB ASP 24 -2.541 -11.786 -6.781 1.00 0.00 1CDR6902
+ATOM 6682 2HB ASP 24 -2.854 -10.701 -8.136 1.00 0.00 1CDR6903
+ATOM 6683 N ALA 25 -1.715 -7.576 -7.186 1.00 0.00 1CDR6904
+ATOM 6684 CA ALA 25 -1.589 -6.362 -8.039 1.00 0.00 1CDR6905
+ATOM 6685 C ALA 25 -1.008 -5.219 -7.206 1.00 0.00 1CDR6906
+ATOM 6686 O ALA 25 -1.702 -4.585 -6.438 1.00 0.00 1CDR6907
+ATOM 6687 CB ALA 25 -2.970 -5.958 -8.562 1.00 0.00 1CDR6908
+ATOM 6688 H ALA 25 -2.114 -7.507 -6.293 1.00 0.00 1CDR6909
+ATOM 6689 HA ALA 25 -0.935 -6.571 -8.872 1.00 0.00 1CDR6910
+ATOM 6690 1HB ALA 25 -3.723 -6.590 -8.114 1.00 0.00 1CDR6911
+ATOM 6691 2HB ALA 25 -3.166 -4.928 -8.304 1.00 0.00 1CDR6912
+ATOM 6692 3HB ALA 25 -2.996 -6.072 -9.636 1.00 0.00 1CDR6913
+ATOM 6693 N CYS 26 0.257 -4.940 -7.354 1.00 0.00 1CDR6914
+ATOM 6694 CA CYS 26 0.856 -3.829 -6.566 1.00 0.00 1CDR6915
+ATOM 6695 C CYS 26 0.129 -2.542 -6.932 1.00 0.00 1CDR6916
+ATOM 6696 O CYS 26 -0.202 -2.318 -8.076 1.00 0.00 1CDR6917
+ATOM 6697 CB CYS 26 2.344 -3.693 -6.898 1.00 0.00 1CDR6918
+ATOM 6698 SG CYS 26 3.166 -5.288 -6.666 1.00 0.00 1CDR6919
+ATOM 6699 H CYS 26 0.806 -5.451 -7.985 1.00 0.00 1CDR6920
+ATOM 6700 HA CYS 26 0.730 -4.027 -5.510 1.00 0.00 1CDR6921
+ATOM 6701 1HB CYS 26 2.456 -3.378 -7.926 1.00 0.00 1CDR6922
+ATOM 6702 2HB CYS 26 2.793 -2.959 -6.246 1.00 0.00 1CDR6923
+ATOM 6703 N LEU 27 -0.144 -1.702 -5.979 1.00 0.00 1CDR6924
+ATOM 6704 CA LEU 27 -0.876 -0.450 -6.300 1.00 0.00 1CDR6925
+ATOM 6705 C LEU 27 0.032 0.762 -6.125 1.00 0.00 1CDR6926
+ATOM 6706 O LEU 27 0.590 0.992 -5.069 1.00 0.00 1CDR6927
+ATOM 6707 CB LEU 27 -2.081 -0.323 -5.372 1.00 0.00 1CDR6928
+ATOM 6708 CG LEU 27 -2.791 1.005 -5.629 1.00 0.00 1CDR6929
+ATOM 6709 CD1 LEU 27 -3.801 0.819 -6.762 1.00 0.00 1CDR6930
+ATOM 6710 CD2 LEU 27 -3.519 1.444 -4.355 1.00 0.00 1CDR6931
+ATOM 6711 H LEU 27 0.113 -1.901 -5.054 1.00 0.00 1CDR6932
+ATOM 6712 HA LEU 27 -1.220 -0.492 -7.323 1.00 0.00 1CDR6933
+ATOM 6713 1HB LEU 27 -2.763 -1.135 -5.566 1.00 0.00 1CDR6934
+ATOM 6714 2HB LEU 27 -1.752 -0.361 -4.345 1.00 0.00 1CDR6935
+ATOM 6715 HG LEU 27 -2.064 1.756 -5.910 1.00 0.00 1CDR6936
+ATOM 6716 1HD1 LEU 27 -3.669 -0.157 -7.205 1.00 0.00 1CDR6937
+ATOM 6717 2HD1 LEU 27 -4.803 0.901 -6.366 1.00 0.00 1CDR6938
+ATOM 6718 3HD1 LEU 27 -3.646 1.579 -7.512 1.00 0.00 1CDR6939
+ATOM 6719 1HD2 LEU 27 -4.150 0.640 -4.007 1.00 0.00 1CDR6940
+ATOM 6720 2HD2 LEU 27 -2.794 1.687 -3.591 1.00 0.00 1CDR6941
+ATOM 6721 3HD2 LEU 27 -4.124 2.312 -4.566 1.00 0.00 1CDR6942
+ATOM 6722 N ILE 28 0.165 1.552 -7.151 1.00 0.00 1CDR6943
+ATOM 6723 CA ILE 28 1.013 2.767 -7.056 1.00 0.00 1CDR6944
+ATOM 6724 C ILE 28 0.141 3.986 -7.354 1.00 0.00 1CDR6945
+ATOM 6725 O ILE 28 0.050 4.443 -8.478 1.00 0.00 1CDR6946
+ATOM 6726 CB ILE 28 2.160 2.679 -8.067 1.00 0.00 1CDR6947
+ATOM 6727 CG1 ILE 28 2.795 4.061 -8.245 1.00 0.00 1CDR6948
+ATOM 6728 CG2 ILE 28 1.616 2.190 -9.410 1.00 0.00 1CDR6949
+ATOM 6729 CD1 ILE 28 4.308 3.910 -8.423 1.00 0.00 1CDR6950
+ATOM 6730 H ILE 28 -0.309 1.351 -7.986 1.00 0.00 1CDR6951
+ATOM 6731 HA ILE 28 1.412 2.848 -6.056 1.00 0.00 1CDR6952
+ATOM 6732 HB ILE 28 2.903 1.983 -7.708 1.00 0.00 1CDR6953
+ATOM 6733 1HG1 ILE 28 2.375 4.542 -9.118 1.00 0.00 1CDR6954
+ATOM 6734 2HG1 ILE 28 2.596 4.664 -7.372 1.00 0.00 1CDR6955
+ATOM 6735 1HG2 ILE 28 0.563 2.421 -9.476 1.00 0.00 1CDR6956
+ATOM 6736 2HG2 ILE 28 2.145 2.682 -10.213 1.00 0.00 1CDR6957
+ATOM 6737 3HG2 ILE 28 1.755 1.122 -9.488 1.00 0.00 1CDR6958
+ATOM 6738 1HD1 ILE 28 4.548 2.872 -8.600 1.00 0.00 1CDR6959
+ATOM 6739 2HD1 ILE 28 4.632 4.504 -9.265 1.00 0.00 1CDR6960
+ATOM 6740 3HD1 ILE 28 4.811 4.249 -7.529 1.00 0.00 1CDR6961
+ATOM 6741 N THR 29 -0.513 4.506 -6.352 1.00 0.00 1CDR6962
+ATOM 6742 CA THR 29 -1.394 5.686 -6.562 1.00 0.00 1CDR6963
+ATOM 6743 C THR 29 -0.605 6.965 -6.278 1.00 0.00 1CDR6964
+ATOM 6744 O THR 29 0.289 6.985 -5.455 1.00 0.00 1CDR6965
+ATOM 6745 CB THR 29 -2.589 5.600 -5.611 1.00 0.00 1CDR6966
+ATOM 6746 OG1 THR 29 -3.467 4.571 -6.049 1.00 0.00 1CDR6967
+ATOM 6747 CG2 THR 29 -3.334 6.936 -5.595 1.00 0.00 1CDR6968
+ATOM 6748 H THR 29 -0.430 4.111 -5.459 1.00 0.00 1CDR6969
+ATOM 6749 HA THR 29 -1.746 5.697 -7.584 1.00 0.00 1CDR6970
+ATOM 6750 HB THR 29 -2.241 5.375 -4.614 1.00 0.00 1CDR6971
+ATOM 6751 HG1 THR 29 -3.453 3.869 -5.394 1.00 0.00 1CDR6972
+ATOM 6752 1HG2 THR 29 -3.158 7.457 -6.524 1.00 0.00 1CDR6973
+ATOM 6753 2HG2 THR 29 -4.392 6.756 -5.479 1.00 0.00 1CDR6974
+ATOM 6754 3HG2 THR 29 -2.978 7.536 -4.771 1.00 0.00 1CDR6975
+ATOM 6755 N LYS 30 -0.927 8.034 -6.951 1.00 0.00 1CDR6976
+ATOM 6756 CA LYS 30 -0.195 9.310 -6.717 1.00 0.00 1CDR6977
+ATOM 6757 C LYS 30 -1.189 10.472 -6.704 1.00 0.00 1CDR6978
+ATOM 6758 O LYS 30 -1.481 11.064 -7.725 1.00 0.00 1CDR6979
+ATOM 6759 CB LYS 30 0.830 9.523 -7.835 1.00 0.00 1CDR6980
+ATOM 6760 CG LYS 30 1.508 10.882 -7.654 1.00 0.00 1CDR6981
+ATOM 6761 CD LYS 30 2.747 10.958 -8.549 1.00 0.00 1CDR6982
+ATOM 6762 CE LYS 30 3.757 11.932 -7.940 1.00 0.00 1CDR6983
+ATOM 6763 NZ LYS 30 5.138 11.416 -8.158 1.00 0.00 1CDR6984
+ATOM 6764 H LYS 30 -1.652 7.999 -7.611 1.00 0.00 1CDR6985
+ATOM 6765 HA LYS 30 0.315 9.263 -5.766 1.00 0.00 1CDR6986
+ATOM 6766 1HB LYS 30 1.573 8.741 -7.795 1.00 0.00 1CDR6987
+ATOM 6767 2HB LYS 30 0.330 9.497 -8.792 1.00 0.00 1CDR6988
+ATOM 6768 1HG LYS 30 0.817 11.668 -7.927 1.00 0.00 1CDR6989
+ATOM 6769 2HG LYS 30 1.803 11.002 -6.622 1.00 0.00 1CDR6990
+ATOM 6770 1HD LYS 30 3.194 9.977 -8.629 1.00 0.00 1CDR6991
+ATOM 6771 2HD LYS 30 2.462 11.305 -9.531 1.00 0.00 1CDR6992
+ATOM 6772 1HE LYS 30 3.656 12.898 -8.413 1.00 0.00 1CDR6993
+ATOM 6773 2HE LYS 30 3.571 12.028 -6.881 1.00 0.00 1CDR6994
+ATOM 6774 1HZ LYS 30 5.114 10.381 -8.239 1.00 0.00 1CDR6995
+ATOM 6775 2HZ LYS 30 5.528 11.824 -9.032 1.00 0.00 1CDR6996
+ATOM 6776 3HZ LYS 30 5.739 11.683 -7.352 1.00 0.00 1CDR6997
+ATOM 6777 N ALA 31 -1.713 10.805 -5.556 1.00 0.00 1CDR6998
+ATOM 6778 CA ALA 31 -2.690 11.929 -5.478 1.00 0.00 1CDR6999
+ATOM 6779 C ALA 31 -1.951 13.259 -5.643 1.00 0.00 1CDR7000
+ATOM 6780 O ALA 31 -0.827 13.304 -6.101 1.00 0.00 1CDR7001
+ATOM 6781 CB ALA 31 -3.397 11.903 -4.122 1.00 0.00 1CDR7002
+ATOM 6782 H ALA 31 -1.464 10.315 -4.744 1.00 0.00 1CDR7003
+ATOM 6783 HA ALA 31 -3.420 11.824 -6.267 1.00 0.00 1CDR7004
+ATOM 6784 1HB ALA 31 -3.609 10.880 -3.845 1.00 0.00 1CDR7005
+ATOM 6785 2HB ALA 31 -2.761 12.354 -3.376 1.00 0.00 1CDR7006
+ATOM 6786 3HB ALA 31 -4.322 12.457 -4.188 1.00 0.00 1CDR7007
+ATOM 6787 N GLY 32 -2.575 14.344 -5.274 1.00 0.00 1CDR7008
+ATOM 6788 CA GLY 32 -1.909 15.670 -5.409 1.00 0.00 1CDR7009
+ATOM 6789 C GLY 32 -0.462 15.571 -4.926 1.00 0.00 1CDR7010
+ATOM 6790 O GLY 32 0.447 15.347 -5.701 1.00 0.00 1CDR7011
+ATOM 6791 H GLY 32 -3.482 14.286 -4.907 1.00 0.00 1CDR7012
+ATOM 6792 1HA GLY 32 -1.924 15.974 -6.446 1.00 0.00 1CDR7013
+ATOM 6793 2HA GLY 32 -2.434 16.400 -4.812 1.00 0.00 1CDR7014
+ATOM 6794 N LEU 33 -0.239 15.739 -3.651 1.00 0.00 1CDR7015
+ATOM 6795 CA LEU 33 1.152 15.656 -3.121 1.00 0.00 1CDR7016
+ATOM 6796 C LEU 33 1.276 14.453 -2.182 1.00 0.00 1CDR7017
+ATOM 6797 O LEU 33 2.333 14.176 -1.651 1.00 0.00 1CDR7018
+ATOM 6798 CB LEU 33 1.481 16.937 -2.352 1.00 0.00 1CDR7019
+ATOM 6799 CG LEU 33 1.434 18.131 -3.307 1.00 0.00 1CDR7020
+ATOM 6800 CD1 LEU 33 0.057 18.793 -3.228 1.00 0.00 1CDR7021
+ATOM 6801 CD2 LEU 33 2.510 19.143 -2.908 1.00 0.00 1CDR7022
+ATOM 6802 H LEU 33 -0.986 15.921 -3.042 1.00 0.00 1CDR7023
+ATOM 6803 HA LEU 33 1.843 15.542 -3.943 1.00 0.00 1CDR7024
+ATOM 6804 1HB LEU 33 0.760 17.079 -1.561 1.00 0.00 1CDR7025
+ATOM 6805 2HB LEU 33 2.471 16.858 -1.928 1.00 0.00 1CDR7026
+ATOM 6806 HG LEU 33 1.612 17.791 -4.317 1.00 0.00 1CDR7027
+ATOM 6807 1HD1 LEU 33 -0.703 18.074 -3.490 1.00 0.00 1CDR7028
+ATOM 6808 2HD1 LEU 33 -0.113 19.148 -2.223 1.00 0.00 1CDR7029
+ATOM 6809 3HD1 LEU 33 0.018 19.625 -3.916 1.00 0.00 1CDR7030
+ATOM 6810 1HD2 LEU 33 3.364 18.620 -2.505 1.00 0.00 1CDR7031
+ATOM 6811 2HD2 LEU 33 2.811 19.711 -3.777 1.00 0.00 1CDR7032
+ATOM 6812 3HD2 LEU 33 2.113 19.814 -2.160 1.00 0.00 1CDR7033
+ATOM 6813 N GLN 34 0.206 13.734 -1.972 1.00 0.00 1CDR7034
+ATOM 6814 CA GLN 34 0.269 12.550 -1.068 1.00 0.00 1CDR7035
+ATOM 6815 C GLN 34 0.366 11.272 -1.905 1.00 0.00 1CDR7036
+ATOM 6816 O GLN 34 -0.559 10.904 -2.601 1.00 0.00 1CDR7037
+ATOM 6817 CB GLN 34 -0.994 12.499 -0.205 1.00 0.00 1CDR7038
+ATOM 6818 CG GLN 34 -0.796 13.366 1.040 1.00 0.00 1CDR7039
+ATOM 6819 CD GLN 34 -2.158 13.816 1.570 1.00 0.00 1CDR7040
+ATOM 6820 OE1 GLN 34 -2.928 13.013 2.060 1.00 0.00 1CDR7041
+ATOM 6821 NE2 GLN 34 -2.492 15.075 1.491 1.00 0.00 1CDR7042
+ATOM 6822 H GLN 34 -0.638 13.971 -2.410 1.00 0.00 1CDR7043
+ATOM 6823 HA GLN 34 1.138 12.628 -0.431 1.00 0.00 1CDR7044
+ATOM 6824 1HB GLN 34 -1.834 12.869 -0.774 1.00 0.00 1CDR7045
+ATOM 6825 2HB GLN 34 -1.183 11.480 0.096 1.00 0.00 1CDR7046
+ATOM 6826 1HG GLN 34 -0.283 12.795 1.800 1.00 0.00 1CDR7047
+ATOM 6827 2HG GLN 34 -0.208 14.235 0.784 1.00 0.00 1CDR7048
+ATOM 6828 1HE2 GLN 34 -3.363 15.373 1.828 1.00 0.00 1CDR7049
+ATOM 6829 2HE2 GLN 34 -1.872 15.723 1.095 1.00 0.00 1CDR7050
+ATOM 6830 N VAL 35 1.479 10.594 -1.844 1.00 0.00 1CDR7051
+ATOM 6831 CA VAL 35 1.636 9.343 -2.638 1.00 0.00 1CDR7052
+ATOM 6832 C VAL 35 1.107 8.155 -1.831 1.00 0.00 1CDR7053
+ATOM 6833 O VAL 35 0.958 8.227 -0.628 1.00 0.00 1CDR7054
+ATOM 6834 CB VAL 35 3.116 9.126 -2.958 1.00 0.00 1CDR7055
+ATOM 6835 CG1 VAL 35 3.275 7.863 -3.805 1.00 0.00 1CDR7056
+ATOM 6836 CG2 VAL 35 3.650 10.330 -3.737 1.00 0.00 1CDR7057
+ATOM 6837 H VAL 35 2.215 10.910 -1.277 1.00 0.00 1CDR7058
+ATOM 6838 HA VAL 35 1.078 9.429 -3.559 1.00 0.00 1CDR7059
+ATOM 6839 HB VAL 35 3.671 9.014 -2.037 1.00 0.00 1CDR7060
+ATOM 6840 1HG1 VAL 35 2.619 7.918 -4.661 1.00 0.00 1CDR7061
+ATOM 6841 2HG1 VAL 35 4.298 7.781 -4.142 1.00 0.00 1CDR7062
+ATOM 6842 3HG1 VAL 35 3.022 6.997 -3.212 1.00 0.00 1CDR7063
+ATOM 6843 1HG2 VAL 35 3.027 10.506 -4.601 1.00 0.00 1CDR7064
+ATOM 6844 2HG2 VAL 35 3.639 11.204 -3.101 1.00 0.00 1CDR7065
+ATOM 6845 3HG2 VAL 35 4.662 10.131 -4.057 1.00 0.00 1CDR7066
+ATOM 6846 N TYR 36 0.818 7.060 -2.483 1.00 0.00 1CDR7067
+ATOM 6847 CA TYR 36 0.297 5.873 -1.748 1.00 0.00 1CDR7068
+ATOM 6848 C TYR 36 0.925 4.597 -2.314 1.00 0.00 1CDR7069
+ATOM 6849 O TYR 36 0.773 4.281 -3.476 1.00 0.00 1CDR7070
+ATOM 6850 CB TYR 36 -1.222 5.799 -1.907 1.00 0.00 1CDR7071
+ATOM 6851 CG TYR 36 -1.869 6.913 -1.122 1.00 0.00 1CDR7072
+ATOM 6852 CD1 TYR 36 -1.930 6.843 0.275 1.00 0.00 1CDR7073
+ATOM 6853 CD2 TYR 36 -2.413 8.015 -1.792 1.00 0.00 1CDR7074
+ATOM 6854 CE1 TYR 36 -2.533 7.877 1.002 1.00 0.00 1CDR7075
+ATOM 6855 CE2 TYR 36 -3.015 9.049 -1.066 1.00 0.00 1CDR7076
+ATOM 6856 CZ TYR 36 -3.075 8.980 0.331 1.00 0.00 1CDR7077
+ATOM 6857 OH TYR 36 -3.670 9.998 1.047 1.00 0.00 1CDR7078
+ATOM 6858 H TYR 36 0.942 7.020 -3.455 1.00 0.00 1CDR7079
+ATOM 6859 HA TYR 36 0.544 5.960 -0.700 1.00 0.00 1CDR7080
+ATOM 6860 1HB TYR 36 -1.480 5.898 -2.952 1.00 0.00 1CDR7081
+ATOM 6861 2HB TYR 36 -1.577 4.848 -1.539 1.00 0.00 1CDR7082
+ATOM 6862 HD1 TYR 36 -1.510 5.993 0.792 1.00 0.00 1CDR7083
+ATOM 6863 HD2 TYR 36 -2.366 8.069 -2.869 1.00 0.00 1CDR7084
+ATOM 6864 HE1 TYR 36 -2.579 7.823 2.079 1.00 0.00 1CDR7085
+ATOM 6865 HE2 TYR 36 -3.434 9.899 -1.583 1.00 0.00 1CDR7086
+ATOM 6866 HH TYR 36 -4.425 9.632 1.513 1.00 0.00 1CDR7087
+ATOM 6867 N ASN 37 1.622 3.858 -1.496 1.00 0.00 1CDR7088
+ATOM 6868 CA ASN 37 2.251 2.598 -1.982 1.00 0.00 1CDR7089
+ATOM 6869 C ASN 37 1.706 1.422 -1.169 1.00 0.00 1CDR7090
+ATOM 6870 O ASN 37 2.276 1.028 -0.170 1.00 0.00 1CDR7091
+ATOM 6871 CB ASN 37 3.769 2.683 -1.811 1.00 0.00 1CDR7092
+ATOM 6872 CG ASN 37 4.247 4.089 -2.173 1.00 0.00 1CDR7093
+ATOM 6873 OD1 ASN 37 4.899 4.282 -3.180 1.00 0.00 1CDR7094
+ATOM 6874 ND2 ASN 37 3.949 5.089 -1.387 1.00 0.00 1CDR7095
+ATOM 6875 H ASN 37 1.727 4.128 -0.560 1.00 0.00 1CDR7096
+ATOM 6876 HA ASN 37 2.011 2.455 -3.025 1.00 0.00 1CDR7097
+ATOM 6877 1HB ASN 37 4.027 2.467 -0.784 1.00 0.00 1CDR7098
+ATOM 6878 2HB ASN 37 4.245 1.964 -2.460 1.00 0.00 1CDR7099
+ATOM 6879 1HD2 ASN 37 4.250 5.994 -1.611 1.00 0.00 1CDR7100
+ATOM 6880 2HD2 ASN 37 3.423 4.934 -0.575 1.00 0.00 1CDR7101
+ATOM 6881 N LYS 38 0.603 0.869 -1.585 1.00 0.00 1CDR7102
+ATOM 6882 CA LYS 38 0.010 -0.276 -0.836 1.00 0.00 1CDR7103
+ATOM 6883 C LYS 38 -0.307 -1.416 -1.801 1.00 0.00 1CDR7104
+ATOM 6884 O LYS 38 -0.396 -1.230 -2.997 1.00 0.00 1CDR7105
+ATOM 6885 CB LYS 38 -1.281 0.182 -0.153 1.00 0.00 1CDR7106
+ATOM 6886 CG LYS 38 -1.049 0.314 1.353 1.00 0.00 1CDR7107
+ATOM 6887 CD LYS 38 -2.345 0.767 2.030 1.00 0.00 1CDR7108
+ATOM 6888 CE LYS 38 -2.393 2.295 2.070 1.00 0.00 1CDR7109
+ATOM 6889 NZ LYS 38 -2.146 2.763 3.463 1.00 0.00 1CDR7110
+ATOM 6890 H LYS 38 0.159 1.209 -2.389 1.00 0.00 1CDR7111
+ATOM 6891 HA LYS 38 0.706 -0.624 -0.089 1.00 0.00 1CDR7112
+ATOM 6892 1HB LYS 38 -1.581 1.139 -0.556 1.00 0.00 1CDR7113
+ATOM 6893 2HB LYS 38 -2.060 -0.543 -0.333 1.00 0.00 1CDR7114
+ATOM 6894 1HG LYS 38 -0.746 -0.642 1.755 1.00 0.00 1CDR7115
+ATOM 6895 2HG LYS 38 -0.275 1.044 1.537 1.00 0.00 1CDR7116
+ATOM 6896 1HD LYS 38 -3.190 0.393 1.471 1.00 0.00 1CDR7117
+ATOM 6897 2HD LYS 38 -2.379 0.381 3.037 1.00 0.00 1CDR7118
+ATOM 6898 1HE LYS 38 -1.633 2.698 1.415 1.00 0.00 1CDR7119
+ATOM 6899 2HE LYS 38 -3.365 2.634 1.744 1.00 0.00 1CDR7120
+ATOM 6900 1HZ LYS 38 -1.408 2.177 3.901 1.00 0.00 1CDR7121
+ATOM 6901 2HZ LYS 38 -1.834 3.755 3.446 1.00 0.00 1CDR7122
+ATOM 6902 3HZ LYS 38 -3.026 2.685 4.015 1.00 0.00 1CDR7123
+ATOM 6903 N CYS 39 -0.485 -2.596 -1.279 1.00 0.00 1CDR7124
+ATOM 6904 CA CYS 39 -0.808 -3.762 -2.148 1.00 0.00 1CDR7125
+ATOM 6905 C CYS 39 -2.294 -3.720 -2.498 1.00 0.00 1CDR7126
+ATOM 6906 O CYS 39 -3.115 -3.326 -1.692 1.00 0.00 1CDR7127
+ATOM 6907 CB CYS 39 -0.499 -5.060 -1.400 1.00 0.00 1CDR7128
+ATOM 6908 SG CYS 39 0.674 -6.046 -2.361 1.00 0.00 1CDR7129
+ATOM 6909 H CYS 39 -0.412 -2.711 -0.310 1.00 0.00 1CDR7130
+ATOM 6910 HA CYS 39 -0.221 -3.716 -3.053 1.00 0.00 1CDR7131
+ATOM 6911 1HB CYS 39 -0.069 -4.827 -0.437 1.00 0.00 1CDR7132
+ATOM 6912 2HB CYS 39 -1.412 -5.620 -1.260 1.00 0.00 1CDR7133
+ATOM 6913 N TRP 40 -2.656 -4.100 -3.692 1.00 0.00 1CDR7134
+ATOM 6914 CA TRP 40 -4.090 -4.048 -4.068 1.00 0.00 1CDR7135
+ATOM 6915 C TRP 40 -4.412 -5.167 -5.065 1.00 0.00 1CDR7136
+ATOM 6916 O TRP 40 -3.531 -5.768 -5.649 1.00 0.00 1CDR7137
+ATOM 6917 CB TRP 40 -4.361 -2.685 -4.698 1.00 0.00 1CDR7138
+ATOM 6918 CG TRP 40 -5.765 -2.274 -4.437 1.00 0.00 1CDR7139
+ATOM 6919 CD1 TRP 40 -6.832 -2.711 -5.129 1.00 0.00 1CDR7140
+ATOM 6920 CD2 TRP 40 -6.271 -1.353 -3.430 1.00 0.00 1CDR7141
+ATOM 6921 NE1 TRP 40 -7.973 -2.116 -4.617 1.00 0.00 1CDR7142
+ATOM 6922 CE2 TRP 40 -7.676 -1.268 -3.565 1.00 0.00 1CDR7143
+ATOM 6923 CE3 TRP 40 -5.654 -0.588 -2.425 1.00 0.00 1CDR7144
+ATOM 6924 CZ2 TRP 40 -8.444 -0.455 -2.729 1.00 0.00 1CDR7145
+ATOM 6925 CZ3 TRP 40 -6.422 0.232 -1.582 1.00 0.00 1CDR7146
+ATOM 6926 CH2 TRP 40 -7.814 0.299 -1.735 1.00 0.00 1CDR7147
+ATOM 6927 H TRP 40 -1.989 -4.399 -4.343 1.00 0.00 1CDR7148
+ATOM 6928 HA TRP 40 -4.701 -4.163 -3.185 1.00 0.00 1CDR7149
+ATOM 6929 1HB TRP 40 -3.693 -1.957 -4.263 1.00 0.00 1CDR7150
+ATOM 6930 2HB TRP 40 -4.192 -2.739 -5.764 1.00 0.00 1CDR7151
+ATOM 6931 HD1 TRP 40 -6.794 -3.412 -5.949 1.00 0.00 1CDR7152
+ATOM 6932 HE1 TRP 40 -8.885 -2.264 -4.944 1.00 0.00 1CDR7153
+ATOM 6933 HE3 TRP 40 -4.582 -0.633 -2.299 1.00 0.00 1CDR7154
+ATOM 6934 HZ2 TRP 40 -9.515 -0.406 -2.852 1.00 0.00 1CDR7155
+ATOM 6935 HZ3 TRP 40 -5.938 0.815 -0.812 1.00 0.00 1CDR7156
+ATOM 6936 HH2 TRP 40 -8.400 0.932 -1.085 1.00 0.00 1CDR7157
+ATOM 6937 N LYS 41 -5.671 -5.455 -5.261 1.00 0.00 1CDR7158
+ATOM 6938 CA LYS 41 -6.051 -6.535 -6.215 1.00 0.00 1CDR7159
+ATOM 6939 C LYS 41 -6.345 -5.924 -7.585 1.00 0.00 1CDR7160
+ATOM 6940 O LYS 41 -6.588 -4.740 -7.708 1.00 0.00 1CDR7161
+ATOM 6941 CB LYS 41 -7.297 -7.256 -5.701 1.00 0.00 1CDR7162
+ATOM 6942 CG LYS 41 -6.874 -8.443 -4.836 1.00 0.00 1CDR7163
+ATOM 6943 CD LYS 41 -7.845 -8.597 -3.665 1.00 0.00 1CDR7164
+ATOM 6944 CE LYS 41 -7.550 -7.525 -2.613 1.00 0.00 1CDR7165
+ATOM 6945 NZ LYS 41 -8.670 -7.470 -1.631 1.00 0.00 1CDR7166
+ATOM 6946 H LYS 41 -6.367 -4.964 -4.777 1.00 0.00 1CDR7167
+ATOM 6947 HA LYS 41 -5.238 -7.241 -6.302 1.00 0.00 1CDR7168
+ATOM 6948 1HB LYS 41 -7.892 -6.574 -5.112 1.00 0.00 1CDR7169
+ATOM 6949 2HB LYS 41 -7.880 -7.613 -6.537 1.00 0.00 1CDR7170
+ATOM 6950 1HG LYS 41 -6.880 -9.343 -5.433 1.00 0.00 1CDR7171
+ATOM 6951 2HG LYS 41 -5.878 -8.270 -4.455 1.00 0.00 1CDR7172
+ATOM 6952 1HD LYS 41 -8.859 -8.484 -4.022 1.00 0.00 1CDR7173
+ATOM 6953 2HD LYS 41 -7.725 -9.575 -3.223 1.00 0.00 1CDR7174
+ATOM 6954 1HE LYS 41 -6.633 -7.768 -2.100 1.00 0.00 1CDR7175
+ATOM 6955 2HE LYS 41 -7.449 -6.565 -3.097 1.00 0.00 1CDR7176
+ATOM 6956 1HZ LYS 41 -9.015 -8.433 -1.443 1.00 0.00 1CDR7177
+ATOM 6957 2HZ LYS 41 -8.331 -7.044 -0.744 1.00 0.00 1CDR7178
+ATOM 6958 3HZ LYS 41 -9.444 -6.897 -2.020 1.00 0.00 1CDR7179
+ATOM 6959 N PHE 42 -6.331 -6.722 -8.617 1.00 0.00 1CDR7180
+ATOM 6960 CA PHE 42 -6.614 -6.187 -9.975 1.00 0.00 1CDR7181
+ATOM 6961 C PHE 42 -8.124 -6.055 -10.153 1.00 0.00 1CDR7182
+ATOM 6962 O PHE 42 -8.605 -5.181 -10.846 1.00 0.00 1CDR7183
+ATOM 6963 CB PHE 42 -6.057 -7.145 -11.029 1.00 0.00 1CDR7184
+ATOM 6964 CG PHE 42 -5.236 -6.369 -12.030 1.00 0.00 1CDR7185
+ATOM 6965 CD1 PHE 42 -5.848 -5.402 -12.836 1.00 0.00 1CDR7186
+ATOM 6966 CD2 PHE 42 -3.863 -6.616 -12.152 1.00 0.00 1CDR7187
+ATOM 6967 CE1 PHE 42 -5.087 -4.683 -13.765 1.00 0.00 1CDR7188
+ATOM 6968 CE2 PHE 42 -3.103 -5.895 -13.081 1.00 0.00 1CDR7189
+ATOM 6969 CZ PHE 42 -3.714 -4.929 -13.888 1.00 0.00 1CDR7190
+ATOM 6970 H PHE 42 -6.140 -7.674 -8.498 1.00 0.00 1CDR7191
+ATOM 6971 HA PHE 42 -6.151 -5.218 -10.086 1.00 0.00 1CDR7192
+ATOM 6972 1HB PHE 42 -5.434 -7.886 -10.549 1.00 0.00 1CDR7193
+ATOM 6973 2HB PHE 42 -6.873 -7.636 -11.537 1.00 0.00 1CDR7194
+ATOM 6974 HD1 PHE 42 -6.907 -5.212 -12.742 1.00 0.00 1CDR7195
+ATOM 6975 HD2 PHE 42 -3.391 -7.361 -11.529 1.00 0.00 1CDR7196
+ATOM 6976 HE1 PHE 42 -5.560 -3.937 -14.387 1.00 0.00 1CDR7197
+ATOM 6977 HE2 PHE 42 -2.044 -6.086 -13.175 1.00 0.00 1CDR7198
+ATOM 6978 HZ PHE 42 -3.127 -4.374 -14.604 1.00 0.00 1CDR7199
+ATOM 6979 N GLU 43 -8.877 -6.915 -9.527 1.00 0.00 1CDR7200
+ATOM 6980 CA GLU 43 -10.354 -6.833 -9.657 1.00 0.00 1CDR7201
+ATOM 6981 C GLU 43 -10.843 -5.568 -8.954 1.00 0.00 1CDR7202
+ATOM 6982 O GLU 43 -11.853 -4.995 -9.310 1.00 0.00 1CDR7203
+ATOM 6983 CB GLU 43 -11.000 -8.062 -9.013 1.00 0.00 1CDR7204
+ATOM 6984 CG GLU 43 -12.391 -8.279 -9.614 1.00 0.00 1CDR7205
+ATOM 6985 CD GLU 43 -12.266 -9.057 -10.925 1.00 0.00 1CDR7206
+ATOM 6986 OE1 GLU 43 -11.785 -8.482 -11.887 1.00 0.00 1CDR7207
+ATOM 6987 OE2 GLU 43 -12.655 -10.214 -10.944 1.00 0.00 1CDR7208
+ATOM 6988 H GLU 43 -8.470 -7.611 -8.969 1.00 0.00 1CDR7209
+ATOM 6989 HA GLU 43 -10.616 -6.789 -10.700 1.00 0.00 1CDR7210
+ATOM 6990 1HB GLU 43 -10.386 -8.930 -9.200 1.00 0.00 1CDR7211
+ATOM 6991 2HB GLU 43 -11.090 -7.906 -7.949 1.00 0.00 1CDR7212
+ATOM 6992 1HG GLU 43 -12.999 -8.840 -8.918 1.00 0.00 1CDR7213
+ATOM 6993 2HG GLU 43 -12.853 -7.323 -9.806 1.00 0.00 1CDR7214
+ATOM 6994 N HIS 44 -10.125 -5.126 -7.960 1.00 0.00 1CDR7215
+ATOM 6995 CA HIS 44 -10.533 -3.896 -7.232 1.00 0.00 1CDR7216
+ATOM 6996 C HIS 44 -9.697 -2.718 -7.737 1.00 0.00 1CDR7217
+ATOM 6997 O HIS 44 -9.538 -1.721 -7.059 1.00 0.00 1CDR7218
+ATOM 6998 CB HIS 44 -10.291 -4.087 -5.734 1.00 0.00 1CDR7219
+ATOM 6999 CG HIS 44 -10.768 -5.450 -5.318 1.00 0.00 1CDR7220
+ATOM 7000 ND1 HIS 44 -10.266 -6.099 -4.200 1.00 0.00 1CDR7221
+ATOM 7001 CD2 HIS 44 -11.699 -6.303 -5.859 1.00 0.00 1CDR7222
+ATOM 7002 CE1 HIS 44 -10.892 -7.288 -4.106 1.00 0.00 1CDR7223
+ATOM 7003 NE2 HIS 44 -11.775 -7.462 -5.092 1.00 0.00 1CDR7224
+ATOM 7004 H HIS 44 -9.311 -5.603 -7.695 1.00 0.00 1CDR7225
+ATOM 7005 HA HIS 44 -11.580 -3.700 -7.409 1.00 0.00 1CDR7226
+ATOM 7006 1HB HIS 44 -9.235 -3.998 -5.526 1.00 0.00 1CDR7227
+ATOM 7007 2HB HIS 44 -10.832 -3.334 -5.182 1.00 0.00 1CDR7228
+ATOM 7008 HD1 HIS 44 -9.581 -5.756 -3.590 1.00 0.00 1CDR7229
+ATOM 7009 HD2 HIS 44 -12.283 -6.103 -6.746 1.00 0.00 1CDR7230
+ATOM 7010 HE1 HIS 44 -10.701 -8.012 -3.328 1.00 0.00 1CDR7231
+ATOM 7011 N CYS 45 -9.158 -2.826 -8.922 1.00 0.00 1CDR7232
+ATOM 7012 CA CYS 45 -8.329 -1.714 -9.465 1.00 0.00 1CDR7233
+ATOM 7013 C CYS 45 -9.135 -0.919 -10.494 1.00 0.00 1CDR7234
+ATOM 7014 O CYS 45 -8.973 -1.081 -11.687 1.00 0.00 1CDR7235
+ATOM 7015 CB CYS 45 -7.077 -2.287 -10.131 1.00 0.00 1CDR7236
+ATOM 7016 SG CYS 45 -5.754 -2.427 -8.904 1.00 0.00 1CDR7237
+ATOM 7017 H CYS 45 -9.297 -3.640 -9.452 1.00 0.00 1CDR7238
+ATOM 7018 HA CYS 45 -8.035 -1.058 -8.658 1.00 0.00 1CDR7239
+ATOM 7019 1HB CYS 45 -7.298 -3.264 -10.534 1.00 0.00 1CDR7240
+ATOM 7020 2HB CYS 45 -6.761 -1.631 -10.929 1.00 0.00 1CDR7241
+ATOM 7021 N ASN 46 -10.000 -0.055 -10.039 1.00 0.00 1CDR7242
+ATOM 7022 CA ASN 46 -10.815 0.757 -10.984 1.00 0.00 1CDR7243
+ATOM 7023 C ASN 46 -11.026 2.149 -10.389 1.00 0.00 1CDR7244
+ATOM 7024 O ASN 46 -10.405 2.515 -9.410 1.00 0.00 1CDR7245
+ATOM 7025 CB ASN 46 -12.173 0.085 -11.201 1.00 0.00 1CDR7246
+ATOM 7026 CG ASN 46 -11.971 -1.412 -11.443 1.00 0.00 1CDR7247
+ATOM 7027 OD1 ASN 46 -12.047 -1.872 -12.565 1.00 0.00 1CDR7248
+ATOM 7028 ND2 ASN 46 -11.714 -2.197 -10.433 1.00 0.00 1CDR7249
+ATOM 7029 H ASN 46 -10.111 0.062 -9.073 1.00 0.00 1CDR7250
+ATOM 7030 HA ASN 46 -10.297 0.842 -11.928 1.00 0.00 1CDR7251
+ATOM 7031 1HB ASN 46 -12.788 0.229 -10.324 1.00 0.00 1CDR7252
+ATOM 7032 2HB ASN 46 -12.658 0.525 -12.058 1.00 0.00 1CDR7253
+ATOM 7033 1HD2 ASN 46 -11.587 -3.158 -10.579 1.00 0.00 1CDR7254
+ATOM 7034 2HD2 ASN 46 -11.652 -1.826 -9.528 1.00 0.00 1CDR7255
+ATOM 7035 N PHE 47 -11.899 2.927 -10.964 1.00 0.00 1CDR7256
+ATOM 7036 CA PHE 47 -12.145 4.290 -10.418 1.00 0.00 1CDR7257
+ATOM 7037 C PHE 47 -13.249 4.215 -9.362 1.00 0.00 1CDR7258
+ATOM 7038 O PHE 47 -14.111 5.069 -9.286 1.00 0.00 1CDR7259
+ATOM 7039 CB PHE 47 -12.578 5.226 -11.547 1.00 0.00 1CDR7260
+ATOM 7040 CG PHE 47 -12.031 6.607 -11.285 1.00 0.00 1CDR7261
+ATOM 7041 CD1 PHE 47 -10.712 6.915 -11.636 1.00 0.00 1CDR7262
+ATOM 7042 CD2 PHE 47 -12.842 7.578 -10.688 1.00 0.00 1CDR7263
+ATOM 7043 CE1 PHE 47 -10.204 8.196 -11.390 1.00 0.00 1CDR7264
+ATOM 7044 CE2 PHE 47 -12.335 8.859 -10.442 1.00 0.00 1CDR7265
+ATOM 7045 CZ PHE 47 -11.015 9.168 -10.792 1.00 0.00 1CDR7266
+ATOM 7046 H PHE 47 -12.394 2.615 -11.749 1.00 0.00 1CDR7267
+ATOM 7047 HA PHE 47 -11.240 4.665 -9.966 1.00 0.00 1CDR7268
+ATOM 7048 1HB PHE 47 -12.196 4.857 -12.488 1.00 0.00 1CDR7269
+ATOM 7049 2HB PHE 47 -13.656 5.268 -11.586 1.00 0.00 1CDR7270
+ATOM 7050 HD1 PHE 47 -10.086 6.165 -12.098 1.00 0.00 1CDR7271
+ATOM 7051 HD2 PHE 47 -13.860 7.339 -10.417 1.00 0.00 1CDR7272
+ATOM 7052 HE1 PHE 47 -9.186 8.435 -11.661 1.00 0.00 1CDR7273
+ATOM 7053 HE2 PHE 47 -12.961 9.607 -9.980 1.00 0.00 1CDR7274
+ATOM 7054 HZ PHE 47 -10.624 10.157 -10.601 1.00 0.00 1CDR7275
+ATOM 7055 N ASN 48 -13.227 3.197 -8.547 1.00 0.00 1CDR7276
+ATOM 7056 CA ASN 48 -14.269 3.057 -7.493 1.00 0.00 1CDR7277
+ATOM 7057 C ASN 48 -13.800 2.035 -6.456 1.00 0.00 1CDR7278
+ATOM 7058 O ASN 48 -13.947 2.229 -5.266 1.00 0.00 1CDR7279
+ATOM 7059 CB ASN 48 -15.577 2.577 -8.126 1.00 0.00 1CDR7280
+ATOM 7060 CG ASN 48 -16.757 3.024 -7.262 1.00 0.00 1CDR7281
+ATOM 7061 OD1 ASN 48 -16.901 4.194 -6.966 1.00 0.00 1CDR7282
+ATOM 7062 ND2 ASN 48 -17.616 2.135 -6.840 1.00 0.00 1CDR7283
+ATOM 7063 H ASN 48 -12.521 2.523 -8.628 1.00 0.00 1CDR7284
+ATOM 7064 HA ASN 48 -14.428 4.012 -7.013 1.00 0.00 1CDR7285
+ATOM 7065 1HB ASN 48 -15.673 3.001 -9.116 1.00 0.00 1CDR7286
+ATOM 7066 2HB ASN 48 -15.569 1.500 -8.193 1.00 0.00 1CDR7287
+ATOM 7067 1HD2 ASN 48 -18.375 2.410 -6.285 1.00 0.00 1CDR7288
+ATOM 7068 2HD2 ASN 48 -17.500 1.191 -7.080 1.00 0.00 1CDR7289
+ATOM 7069 N ASP 49 -13.230 0.948 -6.899 1.00 0.00 1CDR7290
+ATOM 7070 CA ASP 49 -12.749 -0.081 -5.936 1.00 0.00 1CDR7291
+ATOM 7071 C ASP 49 -11.484 0.427 -5.239 1.00 0.00 1CDR7292
+ATOM 7072 O ASP 49 -10.982 -0.190 -4.322 1.00 0.00 1CDR7293
+ATOM 7073 CB ASP 49 -12.431 -1.377 -6.686 1.00 0.00 1CDR7294
+ATOM 7074 CG ASP 49 -13.733 -2.022 -7.166 1.00 0.00 1CDR7295
+ATOM 7075 OD1 ASP 49 -14.458 -2.537 -6.332 1.00 0.00 1CDR7296
+ATOM 7076 OD2 ASP 49 -13.980 -1.991 -8.360 1.00 0.00 1CDR7297
+ATOM 7077 H ASP 49 -13.117 0.810 -7.862 1.00 0.00 1CDR7298
+ATOM 7078 HA ASP 49 -13.515 -0.270 -5.199 1.00 0.00 1CDR7299
+ATOM 7079 1HB ASP 49 -11.802 -1.156 -7.536 1.00 0.00 1CDR7300
+ATOM 7080 2HB ASP 49 -11.917 -2.058 -6.025 1.00 0.00 1CDR7301
+ATOM 7081 N VAL 50 -10.966 1.546 -5.668 1.00 0.00 1CDR7302
+ATOM 7082 CA VAL 50 -9.733 2.090 -5.030 1.00 0.00 1CDR7303
+ATOM 7083 C VAL 50 -9.970 3.552 -4.632 1.00 0.00 1CDR7304
+ATOM 7084 O VAL 50 -9.691 3.955 -3.520 1.00 0.00 1CDR7305
+ATOM 7085 CB VAL 50 -8.566 2.004 -6.025 1.00 0.00 1CDR7306
+ATOM 7086 CG1 VAL 50 -7.438 2.946 -5.596 1.00 0.00 1CDR7307
+ATOM 7087 CG2 VAL 50 -8.035 0.569 -6.058 1.00 0.00 1CDR7308
+ATOM 7088 H VAL 50 -11.385 2.027 -6.410 1.00 0.00 1CDR7309
+ATOM 7089 HA VAL 50 -9.498 1.510 -4.149 1.00 0.00 1CDR7310
+ATOM 7090 HB VAL 50 -8.913 2.282 -7.009 1.00 0.00 1CDR7311
+ATOM 7091 1HG1 VAL 50 -7.587 3.244 -4.569 1.00 0.00 1CDR7312
+ATOM 7092 2HG1 VAL 50 -6.489 2.439 -5.690 1.00 0.00 1CDR7313
+ATOM 7093 3HG1 VAL 50 -7.442 3.823 -6.228 1.00 0.00 1CDR7314
+ATOM 7094 1HG2 VAL 50 -8.738 -0.086 -5.565 1.00 0.00 1CDR7315
+ATOM 7095 2HG2 VAL 50 -7.910 0.256 -7.084 1.00 0.00 1CDR7316
+ATOM 7096 3HG2 VAL 50 -7.084 0.526 -5.549 1.00 0.00 1CDR7317
+ATOM 7097 N THR 51 -10.481 4.347 -5.533 1.00 0.00 1CDR7318
+ATOM 7098 CA THR 51 -10.730 5.781 -5.206 1.00 0.00 1CDR7319
+ATOM 7099 C THR 51 -11.733 5.879 -4.054 1.00 0.00 1CDR7320
+ATOM 7100 O THR 51 -11.842 6.898 -3.402 1.00 0.00 1CDR7321
+ATOM 7101 CB THR 51 -11.297 6.501 -6.435 1.00 0.00 1CDR7322
+ATOM 7102 OG1 THR 51 -11.690 5.544 -7.409 1.00 0.00 1CDR7323
+ATOM 7103 CG2 THR 51 -10.231 7.425 -7.026 1.00 0.00 1CDR7324
+ATOM 7104 H THR 51 -10.695 4.002 -6.424 1.00 0.00 1CDR7325
+ATOM 7105 HA THR 51 -9.802 6.249 -4.913 1.00 0.00 1CDR7326
+ATOM 7106 HB THR 51 -12.153 7.090 -6.143 1.00 0.00 1CDR7327
+ATOM 7107 HG1 THR 51 -12.275 5.980 -8.033 1.00 0.00 1CDR7328
+ATOM 7108 1HG2 THR 51 -9.249 7.035 -6.797 1.00 0.00 1CDR7329
+ATOM 7109 2HG2 THR 51 -10.356 7.480 -8.097 1.00 0.00 1CDR7330
+ATOM 7110 3HG2 THR 51 -10.334 8.413 -6.600 1.00 0.00 1CDR7331
+ATOM 7111 N THR 52 -12.470 4.833 -3.801 1.00 0.00 1CDR7332
+ATOM 7112 CA THR 52 -13.465 4.875 -2.695 1.00 0.00 1CDR7333
+ATOM 7113 C THR 52 -12.866 4.247 -1.434 1.00 0.00 1CDR7334
+ATOM 7114 O THR 52 -13.084 4.712 -0.334 1.00 0.00 1CDR7335
+ATOM 7115 CB THR 52 -14.712 4.094 -3.108 1.00 0.00 1CDR7336
+ATOM 7116 OG1 THR 52 -14.895 4.212 -4.512 1.00 0.00 1CDR7337
+ATOM 7117 CG2 THR 52 -15.932 4.657 -2.385 1.00 0.00 1CDR7338
+ATOM 7118 H THR 52 -12.373 4.022 -4.340 1.00 0.00 1CDR7339
+ATOM 7119 HA THR 52 -13.735 5.901 -2.491 1.00 0.00 1CDR7340
+ATOM 7120 HB THR 52 -14.588 3.056 -2.845 1.00 0.00 1CDR7341
+ATOM 7121 HG1 THR 52 -14.944 5.147 -4.727 1.00 0.00 1CDR7342
+ATOM 7122 1HG2 THR 52 -15.769 5.702 -2.166 1.00 0.00 1CDR7343
+ATOM 7123 2HG2 THR 52 -16.803 4.552 -3.014 1.00 0.00 1CDR7344
+ATOM 7124 3HG2 THR 52 -16.084 4.116 -1.463 1.00 0.00 1CDR7345
+ATOM 7125 N ARG 53 -12.116 3.189 -1.583 1.00 0.00 1CDR7346
+ATOM 7126 CA ARG 53 -11.511 2.534 -0.389 1.00 0.00 1CDR7347
+ATOM 7127 C ARG 53 -10.565 3.516 0.307 1.00 0.00 1CDR7348
+ATOM 7128 O ARG 53 -10.500 3.578 1.518 1.00 0.00 1CDR7349
+ATOM 7129 CB ARG 53 -10.726 1.295 -0.826 1.00 0.00 1CDR7350
+ATOM 7130 CG ARG 53 -11.684 0.112 -0.980 1.00 0.00 1CDR7351
+ATOM 7131 CD ARG 53 -10.928 -1.194 -0.732 1.00 0.00 1CDR7352
+ATOM 7132 NE ARG 53 -11.870 -2.223 -0.207 1.00 0.00 1CDR7353
+ATOM 7133 CZ ARG 53 -11.581 -2.874 0.886 1.00 0.00 1CDR7354
+ATOM 7134 NH1 ARG 53 -11.575 -2.252 2.033 1.00 0.00 1CDR7355
+ATOM 7135 NH2 ARG 53 -11.297 -4.147 0.831 1.00 0.00 1CDR7356
+ATOM 7136 H ARG 53 -11.952 2.825 -2.478 1.00 0.00 1CDR7357
+ATOM 7137 HA ARG 53 -12.292 2.242 0.296 1.00 0.00 1CDR7358
+ATOM 7138 1HB ARG 53 -10.242 1.492 -1.772 1.00 0.00 1CDR7359
+ATOM 7139 2HB ARG 53 -9.981 1.058 -0.081 1.00 0.00 1CDR7360
+ATOM 7140 1HG ARG 53 -12.487 0.204 -0.262 1.00 0.00 1CDR7361
+ATOM 7141 2HG ARG 53 -12.092 0.106 -1.979 1.00 0.00 1CDR7362
+ATOM 7142 1HD ARG 53 -10.497 -1.542 -1.660 1.00 0.00 1CDR7363
+ATOM 7143 2HD ARG 53 -10.142 -1.025 -0.012 1.00 0.00 1CDR7364
+ATOM 7144 HE ARG 53 -12.706 -2.408 -0.681 1.00 0.00 1CDR7365
+ATOM 7145 1HH1 ARG 53 -11.791 -1.277 2.075 1.00 0.00 1CDR7366
+ATOM 7146 2HH1 ARG 53 -11.354 -2.751 2.871 1.00 0.00 1CDR7367
+ATOM 7147 1HH2 ARG 53 -11.301 -4.622 -0.049 1.00 0.00 1CDR7368
+ATOM 7148 2HH2 ARG 53 -11.076 -4.647 1.668 1.00 0.00 1CDR7369
+ATOM 7149 N LEU 54 -9.830 4.281 -0.451 1.00 0.00 1CDR7370
+ATOM 7150 CA LEU 54 -8.890 5.255 0.165 1.00 0.00 1CDR7371
+ATOM 7151 C LEU 54 -9.660 6.507 0.601 1.00 0.00 1CDR7372
+ATOM 7152 O LEU 54 -9.119 7.385 1.243 1.00 0.00 1CDR7373
+ATOM 7153 CB LEU 54 -7.820 5.640 -0.858 1.00 0.00 1CDR7374
+ATOM 7154 CG LEU 54 -7.171 4.372 -1.414 1.00 0.00 1CDR7375
+ATOM 7155 CD1 LEU 54 -6.426 4.704 -2.708 1.00 0.00 1CDR7376
+ATOM 7156 CD2 LEU 54 -6.183 3.811 -0.388 1.00 0.00 1CDR7377
+ATOM 7157 H LEU 54 -9.895 4.215 -1.426 1.00 0.00 1CDR7378
+ATOM 7158 HA LEU 54 -8.418 4.803 1.025 1.00 0.00 1CDR7379
+ATOM 7159 1HB LEU 54 -8.278 6.195 -1.664 1.00 0.00 1CDR7380
+ATOM 7160 2HB LEU 54 -7.069 6.248 -0.382 1.00 0.00 1CDR7381
+ATOM 7161 HG LEU 54 -7.937 3.637 -1.617 1.00 0.00 1CDR7382
+ATOM 7162 1HD1 LEU 54 -7.058 5.306 -3.343 1.00 0.00 1CDR7383
+ATOM 7163 2HD1 LEU 54 -5.524 5.250 -2.474 1.00 0.00 1CDR7384
+ATOM 7164 3HD1 LEU 54 -6.169 3.789 -3.220 1.00 0.00 1CDR7385
+ATOM 7165 1HD2 LEU 54 -5.851 4.605 0.263 1.00 0.00 1CDR7386
+ATOM 7166 2HD2 LEU 54 -6.670 3.045 0.199 1.00 0.00 1CDR7387
+ATOM 7167 3HD2 LEU 54 -5.334 3.386 -0.901 1.00 0.00 1CDR7388
+ATOM 7168 N ARG 55 -10.918 6.592 0.260 1.00 0.00 1CDR7389
+ATOM 7169 CA ARG 55 -11.722 7.782 0.657 1.00 0.00 1CDR7390
+ATOM 7170 C ARG 55 -11.181 9.027 -0.047 1.00 0.00 1CDR7391
+ATOM 7171 O ARG 55 -10.849 10.014 0.580 1.00 0.00 1CDR7392
+ATOM 7172 CB ARG 55 -11.640 7.971 2.172 1.00 0.00 1CDR7393
+ATOM 7173 CG ARG 55 -12.072 6.679 2.867 1.00 0.00 1CDR7394
+ATOM 7174 CD ARG 55 -12.676 7.010 4.233 1.00 0.00 1CDR7395
+ATOM 7175 NE ARG 55 -11.726 7.861 5.002 1.00 0.00 1CDR7396
+ATOM 7176 CZ ARG 55 -11.968 9.134 5.153 1.00 0.00 1CDR7397
+ATOM 7177 NH1 ARG 55 -11.240 10.016 4.525 1.00 0.00 1CDR7398
+ATOM 7178 NH2 ARG 55 -12.939 9.526 5.932 1.00 0.00 1CDR7399
+ATOM 7179 H ARG 55 -11.336 5.872 -0.256 1.00 0.00 1CDR7400
+ATOM 7180 HA ARG 55 -12.751 7.626 0.370 1.00 0.00 1CDR7401
+ATOM 7181 1HB ARG 55 -10.625 8.211 2.452 1.00 0.00 1CDR7402
+ATOM 7182 2HB ARG 55 -12.297 8.775 2.471 1.00 0.00 1CDR7403
+ATOM 7183 1HG ARG 55 -12.809 6.175 2.260 1.00 0.00 1CDR7404
+ATOM 7184 2HG ARG 55 -11.214 6.038 3.001 1.00 0.00 1CDR7405
+ATOM 7185 1HD ARG 55 -13.606 7.542 4.096 1.00 0.00 1CDR7406
+ATOM 7186 2HD ARG 55 -12.861 6.095 4.776 1.00 0.00 1CDR7407
+ATOM 7187 HE ARG 55 -10.920 7.465 5.394 1.00 0.00 1CDR7408
+ATOM 7188 1HH1 ARG 55 -10.496 9.717 3.927 1.00 0.00 1CDR7409
+ATOM 7189 2HH1 ARG 55 -11.427 10.991 4.640 1.00 0.00 1CDR7410
+ATOM 7190 1HH2 ARG 55 -13.498 8.850 6.413 1.00 0.00 1CDR7411
+ATOM 7191 2HH2 ARG 55 -13.126 10.501 6.047 1.00 0.00 1CDR7412
+ATOM 7192 N GLU 56 -11.093 8.990 -1.347 1.00 0.00 1CDR7413
+ATOM 7193 CA GLU 56 -10.579 10.167 -2.099 1.00 0.00 1CDR7414
+ATOM 7194 C GLU 56 -11.158 10.152 -3.516 1.00 0.00 1CDR7415
+ATOM 7195 O GLU 56 -12.073 9.408 -3.813 1.00 0.00 1CDR7416
+ATOM 7196 CB GLU 56 -9.050 10.101 -2.166 1.00 0.00 1CDR7417
+ATOM 7197 CG GLU 56 -8.488 9.908 -0.756 1.00 0.00 1CDR7418
+ATOM 7198 CD GLU 56 -6.961 10.001 -0.800 1.00 0.00 1CDR7419
+ATOM 7199 OE1 GLU 56 -6.417 9.984 -1.891 1.00 0.00 1CDR7420
+ATOM 7200 OE2 GLU 56 -6.363 10.086 0.260 1.00 0.00 1CDR7421
+ATOM 7201 H GLU 56 -11.368 8.184 -1.831 1.00 0.00 1CDR7422
+ATOM 7202 HA GLU 56 -10.879 11.075 -1.597 1.00 0.00 1CDR7423
+ATOM 7203 1HB GLU 56 -8.753 9.271 -2.791 1.00 0.00 1CDR7424
+ATOM 7204 2HB GLU 56 -8.667 11.021 -2.581 1.00 0.00 1CDR7425
+ATOM 7205 1HG GLU 56 -8.878 10.677 -0.105 1.00 0.00 1CDR7426
+ATOM 7206 2HG GLU 56 -8.777 8.937 -0.383 1.00 0.00 1CDR7427
+ATOM 7207 N ASN 57 -10.638 10.965 -4.396 1.00 0.00 1CDR7428
+ATOM 7208 CA ASN 57 -11.169 10.988 -5.788 1.00 0.00 1CDR7429
+ATOM 7209 C ASN 57 -10.144 11.640 -6.718 1.00 0.00 1CDR7430
+ATOM 7210 O ASN 57 -9.896 11.170 -7.811 1.00 0.00 1CDR7431
+ATOM 7211 CB ASN 57 -12.473 11.788 -5.826 1.00 0.00 1CDR7432
+ATOM 7212 CG ASN 57 -13.609 10.943 -5.243 1.00 0.00 1CDR7433
+ATOM 7213 OD1 ASN 57 -14.352 11.402 -4.399 1.00 0.00 1CDR7434
+ATOM 7214 ND2 ASN 57 -13.777 9.719 -5.664 1.00 0.00 1CDR7435
+ATOM 7215 H ASN 57 -9.902 11.558 -4.140 1.00 0.00 1CDR7436
+ATOM 7216 HA ASN 57 -11.359 9.976 -6.117 1.00 0.00 1CDR7437
+ATOM 7217 1HB ASN 57 -12.359 12.690 -5.242 1.00 0.00 1CDR7438
+ATOM 7218 2HB ASN 57 -12.708 12.048 -6.847 1.00 0.00 1CDR7439
+ATOM 7219 1HD2 ASN 57 -14.500 9.169 -5.297 1.00 0.00 1CDR7440
+ATOM 7220 2HD2 ASN 57 -13.178 9.349 -6.347 1.00 0.00 1CDR7441
+ATOM 7221 N GLU 58 -9.545 12.720 -6.294 1.00 0.00 1CDR7442
+ATOM 7222 CA GLU 58 -8.537 13.397 -7.157 1.00 0.00 1CDR7443
+ATOM 7223 C GLU 58 -7.197 12.670 -7.044 1.00 0.00 1CDR7444
+ATOM 7224 O GLU 58 -6.358 13.017 -6.235 1.00 0.00 1CDR7445
+ATOM 7225 CB GLU 58 -8.368 14.849 -6.704 1.00 0.00 1CDR7446
+ATOM 7226 CG GLU 58 -7.144 15.457 -7.393 1.00 0.00 1CDR7447
+ATOM 7227 CD GLU 58 -7.364 16.957 -7.598 1.00 0.00 1CDR7448
+ATOM 7228 OE1 GLU 58 -8.056 17.311 -8.540 1.00 0.00 1CDR7449
+ATOM 7229 OE2 GLU 58 -6.838 17.726 -6.812 1.00 0.00 1CDR7450
+ATOM 7230 H GLU 58 -9.758 13.083 -5.410 1.00 0.00 1CDR7451
+ATOM 7231 HA GLU 58 -8.871 13.378 -8.184 1.00 0.00 1CDR7452
+ATOM 7232 1HB GLU 58 -9.250 15.414 -6.968 1.00 0.00 1CDR7453
+ATOM 7233 2HB GLU 58 -8.227 14.879 -5.635 1.00 0.00 1CDR7454
+ATOM 7234 1HG GLU 58 -6.270 15.302 -6.777 1.00 0.00 1CDR7455
+ATOM 7235 2HG GLU 58 -6.999 14.983 -8.352 1.00 0.00 1CDR7456
+ATOM 7236 N LEU 59 -6.985 11.665 -7.848 1.00 0.00 1CDR7457
+ATOM 7237 CA LEU 59 -5.698 10.920 -7.783 1.00 0.00 1CDR7458
+ATOM 7238 C LEU 59 -5.675 9.847 -8.871 1.00 0.00 1CDR7459
+ATOM 7239 O LEU 59 -6.468 9.864 -9.791 1.00 0.00 1CDR7460
+ATOM 7240 CB LEU 59 -5.562 10.255 -6.413 1.00 0.00 1CDR7461
+ATOM 7241 CG LEU 59 -6.595 9.134 -6.286 1.00 0.00 1CDR7462
+ATOM 7242 CD1 LEU 59 -6.371 8.378 -4.975 1.00 0.00 1CDR7463
+ATOM 7243 CD2 LEU 59 -8.003 9.734 -6.291 1.00 0.00 1CDR7464
+ATOM 7244 H LEU 59 -7.673 11.401 -8.493 1.00 0.00 1CDR7465
+ATOM 7245 HA LEU 59 -4.877 11.604 -7.933 1.00 0.00 1CDR7466
+ATOM 7246 1HB LEU 59 -4.568 9.843 -6.309 1.00 0.00 1CDR7467
+ATOM 7247 2HB LEU 59 -5.731 10.987 -5.638 1.00 0.00 1CDR7468
+ATOM 7248 HG LEU 59 -6.489 8.452 -7.117 1.00 0.00 1CDR7469
+ATOM 7249 1HD1 LEU 59 -5.519 8.794 -4.460 1.00 0.00 1CDR7470
+ATOM 7250 2HD1 LEU 59 -7.249 8.469 -4.353 1.00 0.00 1CDR7471
+ATOM 7251 3HD1 LEU 59 -6.190 7.334 -5.189 1.00 0.00 1CDR7472
+ATOM 7252 1HD2 LEU 59 -7.985 10.701 -5.810 1.00 0.00 1CDR7473
+ATOM 7253 2HD2 LEU 59 -8.343 9.844 -7.310 1.00 0.00 1CDR7474
+ATOM 7254 3HD2 LEU 59 -8.674 9.079 -5.757 1.00 0.00 1CDR7475
+ATOM 7255 N THR 60 -4.773 8.910 -8.772 1.00 0.00 1CDR7476
+ATOM 7256 CA THR 60 -4.702 7.833 -9.798 1.00 0.00 1CDR7477
+ATOM 7257 C THR 60 -4.484 6.487 -9.108 1.00 0.00 1CDR7478
+ATOM 7258 O THR 60 -4.543 6.382 -7.899 1.00 0.00 1CDR7479
+ATOM 7259 CB THR 60 -3.541 8.114 -10.755 1.00 0.00 1CDR7480
+ATOM 7260 OG1 THR 60 -2.422 8.582 -10.014 1.00 0.00 1CDR7481
+ATOM 7261 CG2 THR 60 -3.962 9.175 -11.773 1.00 0.00 1CDR7482
+ATOM 7262 H THR 60 -4.144 8.912 -8.021 1.00 0.00 1CDR7483
+ATOM 7263 HA THR 60 -5.628 7.807 -10.355 1.00 0.00 1CDR7484
+ATOM 7264 HB THR 60 -3.276 7.207 -11.275 1.00 0.00 1CDR7485
+ATOM 7265 HG1 THR 60 -2.715 9.314 -9.467 1.00 0.00 1CDR7486
+ATOM 7266 1HG2 THR 60 -5.038 9.269 -11.770 1.00 0.00 1CDR7487
+ATOM 7267 2HG2 THR 60 -3.517 10.122 -11.511 1.00 0.00 1CDR7488
+ATOM 7268 3HG2 THR 60 -3.630 8.880 -12.758 1.00 0.00 1CDR7489
+ATOM 7269 N TYR 61 -4.235 5.455 -9.866 1.00 0.00 1CDR7490
+ATOM 7270 CA TYR 61 -4.017 4.114 -9.253 1.00 0.00 1CDR7491
+ATOM 7271 C TYR 61 -3.494 3.150 -10.319 1.00 0.00 1CDR7492
+ATOM 7272 O TYR 61 -4.256 2.543 -11.045 1.00 0.00 1CDR7493
+ATOM 7273 CB TYR 61 -5.343 3.587 -8.702 1.00 0.00 1CDR7494
+ATOM 7274 CG TYR 61 -6.340 3.465 -9.830 1.00 0.00 1CDR7495
+ATOM 7275 CD1 TYR 61 -6.841 4.618 -10.447 1.00 0.00 1CDR7496
+ATOM 7276 CD2 TYR 61 -6.761 2.201 -10.260 1.00 0.00 1CDR7497
+ATOM 7277 CE1 TYR 61 -7.762 4.507 -11.494 1.00 0.00 1CDR7498
+ATOM 7278 CE2 TYR 61 -7.683 2.090 -11.308 1.00 0.00 1CDR7499
+ATOM 7279 CZ TYR 61 -8.184 3.243 -11.925 1.00 0.00 1CDR7500
+ATOM 7280 OH TYR 61 -9.092 3.134 -12.959 1.00 0.00 1CDR7501
+ATOM 7281 H TYR 61 -4.194 5.561 -10.840 1.00 0.00 1CDR7502
+ATOM 7282 HA TYR 61 -3.297 4.194 -8.450 1.00 0.00 1CDR7503
+ATOM 7283 1HB TYR 61 -5.187 2.618 -8.253 1.00 0.00 1CDR7504
+ATOM 7284 2HB TYR 61 -5.722 4.273 -7.959 1.00 0.00 1CDR7505
+ATOM 7285 HD1 TYR 61 -6.517 5.592 -10.114 1.00 0.00 1CDR7506
+ATOM 7286 HD2 TYR 61 -6.375 1.311 -9.784 1.00 0.00 1CDR7507
+ATOM 7287 HE1 TYR 61 -8.149 5.396 -11.970 1.00 0.00 1CDR7508
+ATOM 7288 HE2 TYR 61 -8.009 1.115 -11.640 1.00 0.00 1CDR7509
+ATOM 7289 HH TYR 61 -9.688 2.411 -12.755 1.00 0.00 1CDR7510
+ATOM 7290 N TYR 62 -2.202 2.999 -10.424 1.00 0.00 1CDR7511
+ATOM 7291 CA TYR 62 -1.653 2.070 -11.451 1.00 0.00 1CDR7512
+ATOM 7292 C TYR 62 -1.330 0.722 -10.804 1.00 0.00 1CDR7513
+ATOM 7293 O TYR 62 -0.446 0.614 -9.978 1.00 0.00 1CDR7514
+ATOM 7294 CB TYR 62 -0.382 2.664 -12.059 1.00 0.00 1CDR7515
+ATOM 7295 CG TYR 62 0.155 1.722 -13.110 1.00 0.00 1CDR7516
+ATOM 7296 CD1 TYR 62 -0.402 1.717 -14.394 1.00 0.00 1CDR7517
+ATOM 7297 CD2 TYR 62 1.208 0.853 -12.800 1.00 0.00 1CDR7518
+ATOM 7298 CE1 TYR 62 0.094 0.843 -15.368 1.00 0.00 1CDR7519
+ATOM 7299 CE2 TYR 62 1.704 -0.020 -13.775 1.00 0.00 1CDR7520
+ATOM 7300 CZ TYR 62 1.146 -0.026 -15.060 1.00 0.00 1CDR7521
+ATOM 7301 OH TYR 62 1.635 -0.887 -16.021 1.00 0.00 1CDR7522
+ATOM 7302 H TYR 62 -1.597 3.495 -9.831 1.00 0.00 1CDR7523
+ATOM 7303 HA TYR 62 -2.388 1.925 -12.228 1.00 0.00 1CDR7524
+ATOM 7304 1HB TYR 62 -0.612 3.617 -12.512 1.00 0.00 1CDR7525
+ATOM 7305 2HB TYR 62 0.358 2.801 -11.287 1.00 0.00 1CDR7526
+ATOM 7306 HD1 TYR 62 -1.215 2.387 -14.632 1.00 0.00 1CDR7527
+ATOM 7307 HD2 TYR 62 1.638 0.856 -11.810 1.00 0.00 1CDR7528
+ATOM 7308 HE1 TYR 62 -0.336 0.839 -16.360 1.00 0.00 1CDR7529
+ATOM 7309 HE2 TYR 62 2.517 -0.691 -13.537 1.00 0.00 1CDR7530
+ATOM 7310 HH TYR 62 1.341 -1.774 -15.802 1.00 0.00 1CDR7531
+ATOM 7311 N CYS 63 -2.042 -0.306 -11.175 1.00 0.00 1CDR7532
+ATOM 7312 CA CYS 63 -1.779 -1.646 -10.586 1.00 0.00 1CDR7533
+ATOM 7313 C CYS 63 -0.900 -2.457 -11.538 1.00 0.00 1CDR7534
+ATOM 7314 O CYS 63 -0.937 -2.274 -12.738 1.00 0.00 1CDR7535
+ATOM 7315 CB CYS 63 -3.108 -2.371 -10.368 1.00 0.00 1CDR7536
+ATOM 7316 SG CYS 63 -4.293 -1.228 -9.615 1.00 0.00 1CDR7537
+ATOM 7317 H CYS 63 -2.751 -0.196 -11.842 1.00 0.00 1CDR7538
+ATOM 7318 HA CYS 63 -1.274 -1.530 -9.642 1.00 0.00 1CDR7539
+ATOM 7319 1HB CYS 63 -3.491 -2.714 -11.317 1.00 0.00 1CDR7540
+ATOM 7320 2HB CYS 63 -2.955 -3.217 -9.715 1.00 0.00 1CDR7541
+ATOM 7321 N CYS 64 -0.105 -3.353 -11.017 1.00 0.00 1CDR7542
+ATOM 7322 CA CYS 64 0.772 -4.167 -11.907 1.00 0.00 1CDR7543
+ATOM 7323 C CYS 64 1.074 -5.514 -11.248 1.00 0.00 1CDR7544
+ATOM 7324 O CYS 64 0.831 -5.712 -10.075 1.00 0.00 1CDR7545
+ATOM 7325 CB CYS 64 2.084 -3.419 -12.168 1.00 0.00 1CDR7546
+ATOM 7326 SG CYS 64 2.575 -2.503 -10.685 1.00 0.00 1CDR7547
+ATOM 7327 H CYS 64 -0.086 -3.488 -10.042 1.00 0.00 1CDR7548
+ATOM 7328 HA CYS 64 0.267 -4.336 -12.846 1.00 0.00 1CDR7549
+ATOM 7329 1HB CYS 64 2.857 -4.129 -12.422 1.00 0.00 1CDR7550
+ATOM 7330 2HB CYS 64 1.948 -2.730 -12.988 1.00 0.00 1CDR7551
+ATOM 7331 N LYS 65 1.599 -6.444 -11.999 1.00 0.00 1CDR7552
+ATOM 7332 CA LYS 65 1.912 -7.781 -11.424 1.00 0.00 1CDR7553
+ATOM 7333 C LYS 65 3.390 -8.108 -11.651 1.00 0.00 1CDR7554
+ATOM 7334 O LYS 65 3.739 -9.205 -12.040 1.00 0.00 1CDR7555
+ATOM 7335 CB LYS 65 1.047 -8.842 -12.107 1.00 0.00 1CDR7556
+ATOM 7336 CG LYS 65 1.194 -8.720 -13.625 1.00 0.00 1CDR7557
+ATOM 7337 CD LYS 65 -0.139 -8.278 -14.234 1.00 0.00 1CDR7558
+ATOM 7338 CE LYS 65 -0.500 -9.206 -15.395 1.00 0.00 1CDR7559
+ATOM 7339 NZ LYS 65 -0.731 -10.583 -14.877 1.00 0.00 1CDR7560
+ATOM 7340 H LYS 65 1.784 -6.262 -12.945 1.00 0.00 1CDR7561
+ATOM 7341 HA LYS 65 1.704 -7.774 -10.365 1.00 0.00 1CDR7562
+ATOM 7342 1HB LYS 65 1.366 -9.824 -11.790 1.00 0.00 1CDR7563
+ATOM 7343 2HB LYS 65 0.013 -8.694 -11.834 1.00 0.00 1CDR7564
+ATOM 7344 1HG LYS 65 1.956 -7.988 -13.855 1.00 0.00 1CDR7565
+ATOM 7345 2HG LYS 65 1.477 -9.675 -14.038 1.00 0.00 1CDR7566
+ATOM 7346 1HD LYS 65 -0.912 -8.325 -13.480 1.00 0.00 1CDR7567
+ATOM 7347 2HD LYS 65 -0.051 -7.266 -14.598 1.00 0.00 1CDR7568
+ATOM 7348 1HE LYS 65 -1.398 -8.847 -15.876 1.00 0.00 1CDR7569
+ATOM 7349 2HE LYS 65 0.310 -9.220 -16.110 1.00 0.00 1CDR7570
+ATOM 7350 1HZ LYS 65 -1.452 -10.554 -14.126 1.00 0.00 1CDR7571
+ATOM 7351 2HZ LYS 65 -1.059 -11.195 -15.650 1.00 0.00 1CDR7572
+ATOM 7352 3HZ LYS 65 0.157 -10.962 -14.491 1.00 0.00 1CDR7573
+ATOM 7353 N LYS 66 4.262 -7.168 -11.412 1.00 0.00 1CDR7574
+ATOM 7354 CA LYS 66 5.714 -7.435 -11.615 1.00 0.00 1CDR7575
+ATOM 7355 C LYS 66 6.432 -7.395 -10.265 1.00 0.00 1CDR7576
+ATOM 7356 O LYS 66 6.050 -6.669 -9.369 1.00 0.00 1CDR7577
+ATOM 7357 CB LYS 66 6.309 -6.375 -12.545 1.00 0.00 1CDR7578
+ATOM 7358 CG LYS 66 7.278 -7.043 -13.522 1.00 0.00 1CDR7579
+ATOM 7359 CD LYS 66 8.580 -6.242 -13.579 1.00 0.00 1CDR7580
+ATOM 7360 CE LYS 66 9.341 -6.409 -12.262 1.00 0.00 1CDR7581
+ATOM 7361 NZ LYS 66 10.703 -5.818 -12.398 1.00 0.00 1CDR7582
+ATOM 7362 H LYS 66 3.963 -6.289 -11.099 1.00 0.00 1CDR7583
+ATOM 7363 HA LYS 66 5.840 -8.412 -12.059 1.00 0.00 1CDR7584
+ATOM 7364 1HB LYS 66 5.515 -5.892 -13.096 1.00 0.00 1CDR7585
+ATOM 7365 2HB LYS 66 6.842 -5.640 -11.960 1.00 0.00 1CDR7586
+ATOM 7366 1HG LYS 66 7.487 -8.049 -13.191 1.00 0.00 1CDR7587
+ATOM 7367 2HG LYS 66 6.834 -7.073 -14.507 1.00 0.00 1CDR7588
+ATOM 7368 1HD LYS 66 9.189 -6.603 -14.396 1.00 0.00 1CDR7589
+ATOM 7369 2HD LYS 66 8.356 -5.198 -13.732 1.00 0.00 1CDR7590
+ATOM 7370 1HE LYS 66 8.808 -5.904 -11.471 1.00 0.00 1CDR7591
+ATOM 7371 2HE LYS 66 9.427 -7.459 -12.026 1.00 0.00 1CDR7592
+ATOM 7372 1HZ LYS 66 11.203 -6.275 -13.187 1.00 0.00 1CDR7593
+ATOM 7373 2HZ LYS 66 10.620 -4.798 -12.584 1.00 0.00 1CDR7594
+ATOM 7374 3HZ LYS 66 11.237 -5.968 -11.518 1.00 0.00 1CDR7595
+ATOM 7375 N ASP 67 7.469 -8.171 -10.115 1.00 0.00 1CDR7596
+ATOM 7376 CA ASP 67 8.214 -8.186 -8.825 1.00 0.00 1CDR7597
+ATOM 7377 C ASP 67 8.556 -6.754 -8.406 1.00 0.00 1CDR7598
+ATOM 7378 O ASP 67 9.523 -6.177 -8.863 1.00 0.00 1CDR7599
+ATOM 7379 CB ASP 67 9.504 -8.990 -8.994 1.00 0.00 1CDR7600
+ATOM 7380 CG ASP 67 9.167 -10.476 -9.117 1.00 0.00 1CDR7601
+ATOM 7381 OD1 ASP 67 8.091 -10.782 -9.604 1.00 0.00 1CDR7602
+ATOM 7382 OD2 ASP 67 9.989 -11.286 -8.718 1.00 0.00 1CDR7603
+ATOM 7383 H ASP 67 7.758 -8.749 -10.852 1.00 0.00 1CDR7604
+ATOM 7384 HA ASP 67 7.603 -8.646 -8.062 1.00 0.00 1CDR7605
+ATOM 7385 1HB ASP 67 10.017 -8.661 -9.888 1.00 0.00 1CDR7606
+ATOM 7386 2HB ASP 67 10.141 -8.836 -8.136 1.00 0.00 1CDR7607
+ATOM 7387 N LEU 68 7.774 -6.178 -7.535 1.00 0.00 1CDR7608
+ATOM 7388 CA LEU 68 8.056 -4.790 -7.081 1.00 0.00 1CDR7609
+ATOM 7389 C LEU 68 7.963 -3.831 -8.268 1.00 0.00 1CDR7610
+ATOM 7390 O LEU 68 8.920 -3.178 -8.630 1.00 0.00 1CDR7611
+ATOM 7391 CB LEU 68 9.458 -4.731 -6.476 1.00 0.00 1CDR7612
+ATOM 7392 CG LEU 68 9.608 -5.851 -5.448 1.00 0.00 1CDR7613
+ATOM 7393 CD1 LEU 68 11.065 -5.938 -4.995 1.00 0.00 1CDR7614
+ATOM 7394 CD2 LEU 68 8.718 -5.553 -4.241 1.00 0.00 1CDR7615
+ATOM 7395 H LEU 68 7.003 -6.660 -7.173 1.00 0.00 1CDR7616
+ATOM 7396 HA LEU 68 7.331 -4.506 -6.333 1.00 0.00 1CDR7617
+ATOM 7397 1HB LEU 68 10.194 -4.856 -7.258 1.00 0.00 1CDR7618
+ATOM 7398 2HB LEU 68 9.603 -3.778 -5.992 1.00 0.00 1CDR7619
+ATOM 7399 HG LEU 68 9.313 -6.791 -5.893 1.00 0.00 1CDR7620
+ATOM 7400 1HD1 LEU 68 11.418 -4.952 -4.732 1.00 0.00 1CDR7621
+ATOM 7401 2HD1 LEU 68 11.135 -6.588 -4.135 1.00 0.00 1CDR7622
+ATOM 7402 3HD1 LEU 68 11.667 -6.335 -5.798 1.00 0.00 1CDR7623
+ATOM 7403 1HD2 LEU 68 8.817 -4.514 -3.968 1.00 0.00 1CDR7624
+ATOM 7404 2HD2 LEU 68 7.688 -5.762 -4.493 1.00 0.00 1CDR7625
+ATOM 7405 3HD2 LEU 68 9.017 -6.174 -3.410 1.00 0.00 1CDR7626
+ATOM 7406 N CYS 69 6.812 -3.744 -8.874 1.00 0.00 1CDR7627
+ATOM 7407 CA CYS 69 6.647 -2.828 -10.037 1.00 0.00 1CDR7628
+ATOM 7408 C CYS 69 6.347 -1.414 -9.533 1.00 0.00 1CDR7629
+ATOM 7409 O CYS 69 6.606 -0.436 -10.205 1.00 0.00 1CDR7630
+ATOM 7410 CB CYS 69 5.485 -3.309 -10.910 1.00 0.00 1CDR7631
+ATOM 7411 SG CYS 69 4.038 -3.630 -9.870 1.00 0.00 1CDR7632
+ATOM 7412 H CYS 69 6.055 -4.283 -8.560 1.00 0.00 1CDR7633
+ATOM 7413 HA CYS 69 7.556 -2.817 -10.621 1.00 0.00 1CDR7634
+ATOM 7414 1HB CYS 69 5.244 -2.548 -11.637 1.00 0.00 1CDR7635
+ATOM 7415 2HB CYS 69 5.770 -4.216 -11.420 1.00 0.00 1CDR7636
+ATOM 7416 N ASN 70 5.798 -1.301 -8.355 1.00 0.00 1CDR7637
+ATOM 7417 CA ASN 70 5.475 0.047 -7.808 1.00 0.00 1CDR7638
+ATOM 7418 C ASN 70 6.746 0.707 -7.272 1.00 0.00 1CDR7639
+ATOM 7419 O ASN 70 6.996 0.722 -6.083 1.00 0.00 1CDR7640
+ATOM 7420 CB ASN 70 4.456 -0.096 -6.674 1.00 0.00 1CDR7641
+ATOM 7421 CG ASN 70 4.318 1.240 -5.941 1.00 0.00 1CDR7642
+ATOM 7422 OD1 ASN 70 4.889 2.232 -6.348 1.00 0.00 1CDR7643
+ATOM 7423 ND2 ASN 70 3.578 1.308 -4.869 1.00 0.00 1CDR7644
+ATOM 7424 H ASN 70 5.593 -2.104 -7.830 1.00 0.00 1CDR7645
+ATOM 7425 HA ASN 70 5.055 0.660 -8.592 1.00 0.00 1CDR7646
+ATOM 7426 1HB ASN 70 3.499 -0.383 -7.085 1.00 0.00 1CDR7647
+ATOM 7427 2HB ASN 70 4.792 -0.851 -5.981 1.00 0.00 1CDR7648
+ATOM 7428 1HD2 ASN 70 3.480 2.159 -4.392 1.00 0.00 1CDR7649
+ATOM 7429 2HD2 ASN 70 3.117 0.507 -4.540 1.00 0.00 1CDR7650
+ATOM 7430 N PHE 71 7.550 1.259 -8.139 1.00 0.00 1CDR7651
+ATOM 7431 CA PHE 71 8.802 1.925 -7.679 1.00 0.00 1CDR7652
+ATOM 7432 C PHE 71 8.724 3.415 -8.000 1.00 0.00 1CDR7653
+ATOM 7433 O PHE 71 9.720 4.058 -8.268 1.00 0.00 1CDR7654
+ATOM 7434 CB PHE 71 10.002 1.309 -8.399 1.00 0.00 1CDR7655
+ATOM 7435 CG PHE 71 9.620 0.994 -9.825 1.00 0.00 1CDR7656
+ATOM 7436 CD1 PHE 71 9.297 2.031 -10.707 1.00 0.00 1CDR7657
+ATOM 7437 CD2 PHE 71 9.584 -0.335 -10.262 1.00 0.00 1CDR7658
+ATOM 7438 CE1 PHE 71 8.940 1.738 -12.029 1.00 0.00 1CDR7659
+ATOM 7439 CE2 PHE 71 9.228 -0.628 -11.583 1.00 0.00 1CDR7660
+ATOM 7440 CZ PHE 71 8.905 0.409 -12.466 1.00 0.00 1CDR7661
+ATOM 7441 H PHE 71 7.329 1.239 -9.094 1.00 0.00 1CDR7662
+ATOM 7442 HA PHE 71 8.910 1.791 -6.613 1.00 0.00 1CDR7663
+ATOM 7443 1HB PHE 71 10.824 2.010 -8.391 1.00 0.00 1CDR7664
+ATOM 7444 2HB PHE 71 10.297 0.400 -7.896 1.00 0.00 1CDR7665
+ATOM 7445 HD1 PHE 71 9.325 3.057 -10.369 1.00 0.00 1CDR7666
+ATOM 7446 HD2 PHE 71 9.833 -1.135 -9.580 1.00 0.00 1CDR7667
+ATOM 7447 HE1 PHE 71 8.691 2.539 -12.711 1.00 0.00 1CDR7668
+ATOM 7448 HE2 PHE 71 9.201 -1.653 -11.920 1.00 0.00 1CDR7669
+ATOM 7449 HZ PHE 71 8.630 0.182 -13.486 1.00 0.00 1CDR7670
+ATOM 7450 N ASN 72 7.545 3.969 -7.977 1.00 0.00 1CDR7671
+ATOM 7451 CA ASN 72 7.392 5.419 -8.281 1.00 0.00 1CDR7672
+ATOM 7452 C ASN 72 8.135 5.752 -9.576 1.00 0.00 1CDR7673
+ATOM 7453 O ASN 72 9.197 6.343 -9.560 1.00 0.00 1CDR7674
+ATOM 7454 CB ASN 72 7.972 6.247 -7.133 1.00 0.00 1CDR7675
+ATOM 7455 CG ASN 72 6.856 7.062 -6.476 1.00 0.00 1CDR7676
+ATOM 7456 OD1 ASN 72 6.500 6.823 -5.340 1.00 0.00 1CDR7677
+ATOM 7457 ND2 ASN 72 6.286 8.025 -7.150 1.00 0.00 1CDR7678
+ATOM 7458 H ASN 72 6.758 3.428 -7.758 1.00 0.00 1CDR7679
+ATOM 7459 HA ASN 72 6.344 5.652 -8.400 1.00 0.00 1CDR7680
+ATOM 7460 1HB ASN 72 8.414 5.587 -6.400 1.00 0.00 1CDR7681
+ATOM 7461 2HB ASN 72 8.726 6.917 -7.517 1.00 0.00 1CDR7682
+ATOM 7462 1HD2 ASN 72 5.570 8.554 -6.738 1.00 0.00 1CDR7683
+ATOM 7463 2HD2 ASN 72 6.572 8.219 -8.067 1.00 0.00 1CDR7684
+ATOM 7464 N GLU 73 7.586 5.380 -10.700 1.00 0.00 1CDR7685
+ATOM 7465 CA GLU 73 8.260 5.678 -11.995 1.00 0.00 1CDR7686
+ATOM 7466 C GLU 73 7.517 4.974 -13.133 1.00 0.00 1CDR7687
+ATOM 7467 O GLU 73 8.119 4.409 -14.024 1.00 0.00 1CDR7688
+ATOM 7468 CB GLU 73 9.704 5.176 -11.943 1.00 0.00 1CDR7689
+ATOM 7469 CG GLU 73 10.646 6.274 -12.446 1.00 0.00 1CDR7690
+ATOM 7470 CD GLU 73 10.865 6.108 -13.951 1.00 0.00 1CDR7691
+ATOM 7471 OE1 GLU 73 9.889 6.152 -14.681 1.00 0.00 1CDR7692
+ATOM 7472 OE2 GLU 73 12.007 5.940 -14.348 1.00 0.00 1CDR7693
+ATOM 7473 H GLU 73 6.728 4.904 -10.692 1.00 0.00 1CDR7694
+ATOM 7474 HA GLU 73 8.255 6.744 -12.167 1.00 0.00 1CDR7695
+ATOM 7475 1HB GLU 73 9.960 4.923 -10.923 1.00 0.00 1CDR7696
+ATOM 7476 2HB GLU 73 9.806 4.302 -12.568 1.00 0.00 1CDR7697
+ATOM 7477 1HG GLU 73 10.207 7.240 -12.250 1.00 0.00 1CDR7698
+ATOM 7478 2HG GLU 73 11.593 6.197 -11.936 1.00 0.00 1CDR7699
+ATOM 7479 N GLN 74 6.212 5.002 -13.110 1.00 0.00 1CDR7700
+ATOM 7480 CA GLN 74 5.435 4.333 -14.192 1.00 0.00 1CDR7701
+ATOM 7481 C GLN 74 4.215 5.185 -14.552 1.00 0.00 1CDR7702
+ATOM 7482 O GLN 74 3.346 4.761 -15.288 1.00 0.00 1CDR7703
+ATOM 7483 CB GLN 74 4.968 2.958 -13.709 1.00 0.00 1CDR7704
+ATOM 7484 CG GLN 74 4.978 1.975 -14.881 1.00 0.00 1CDR7705
+ATOM 7485 CD GLN 74 5.412 0.595 -14.388 1.00 0.00 1CDR7706
+ATOM 7486 OE1 GLN 74 5.361 0.315 -13.207 1.00 0.00 1CDR7707
+ATOM 7487 NE2 GLN 74 5.844 -0.287 -15.249 1.00 0.00 1CDR7708
+ATOM 7488 H GLN 74 5.744 5.461 -12.382 1.00 0.00 1CDR7709
+ATOM 7489 HA GLN 74 6.061 4.214 -15.064 1.00 0.00 1CDR7710
+ATOM 7490 1HB GLN 74 5.635 2.604 -12.935 1.00 0.00 1CDR7711
+ATOM 7491 2HB GLN 74 3.967 3.035 -13.314 1.00 0.00 1CDR7712
+ATOM 7492 1HG GLN 74 3.986 1.912 -15.305 1.00 0.00 1CDR7713
+ATOM 7493 2HG GLN 74 5.671 2.320 -15.635 1.00 0.00 1CDR7714
+ATOM 7494 1HE2 GLN 74 6.121 -1.175 -14.943 1.00 0.00 1CDR7715
+ATOM 7495 2HE2 GLN 74 5.886 -0.061 -16.201 1.00 0.00 1CDR7716
+ATOM 7496 N LEU 75 4.141 6.382 -14.038 1.00 0.00 1CDR7717
+ATOM 7497 CA LEU 75 2.974 7.256 -14.353 1.00 0.00 1CDR7718
+ATOM 7498 C LEU 75 3.463 8.574 -14.958 1.00 0.00 1CDR7719
+ATOM 7499 O LEU 75 2.716 9.287 -15.599 1.00 0.00 1CDR7720
+ATOM 7500 CB LEU 75 2.194 7.546 -13.069 1.00 0.00 1CDR7721
+ATOM 7501 CG LEU 75 1.568 6.252 -12.548 1.00 0.00 1CDR7722
+ATOM 7502 CD1 LEU 75 1.419 6.331 -11.028 1.00 0.00 1CDR7723
+ATOM 7503 CD2 LEU 75 0.191 6.061 -13.188 1.00 0.00 1CDR7724
+ATOM 7504 H LEU 75 4.849 6.706 -13.446 1.00 0.00 1CDR7725
+ATOM 7505 HA LEU 75 2.329 6.754 -15.059 1.00 0.00 1CDR7726
+ATOM 7506 1HB LEU 75 2.865 7.948 -12.324 1.00 0.00 1CDR7727
+ATOM 7507 2HB LEU 75 1.414 8.263 -13.276 1.00 0.00 1CDR7728
+ATOM 7508 HG LEU 75 2.205 5.416 -12.803 1.00 0.00 1CDR7729
+ATOM 7509 1HD1 LEU 75 2.367 6.595 -10.585 1.00 0.00 1CDR7730
+ATOM 7510 2HD1 LEU 75 0.684 7.082 -10.777 1.00 0.00 1CDR7731
+ATOM 7511 3HD1 LEU 75 1.097 5.373 -10.648 1.00 0.00 1CDR7732
+ATOM 7512 1HD2 LEU 75 -0.038 6.913 -13.810 1.00 0.00 1CDR7733
+ATOM 7513 2HD2 LEU 75 0.195 5.165 -13.791 1.00 0.00 1CDR7734
+ATOM 7514 3HD2 LEU 75 -0.556 5.969 -12.413 1.00 0.00 1CDR7735
+ATOM 7515 N GLU 76 4.708 8.908 -14.757 1.00 0.00 1CDR7736
+ATOM 7516 CA GLU 76 5.236 10.182 -15.318 1.00 0.00 1CDR7737
+ATOM 7517 C GLU 76 6.694 9.991 -15.739 1.00 0.00 1CDR7738
+ATOM 7518 O GLU 76 7.476 9.375 -15.043 1.00 0.00 1CDR7739
+ATOM 7519 CB GLU 76 5.153 11.278 -14.255 1.00 0.00 1CDR7740
+ATOM 7520 CG GLU 76 5.840 12.543 -14.772 1.00 0.00 1CDR7741
+ATOM 7521 CD GLU 76 7.016 12.894 -13.858 1.00 0.00 1CDR7742
+ATOM 7522 OE1 GLU 76 6.767 13.245 -12.716 1.00 0.00 1CDR7743
+ATOM 7523 OE2 GLU 76 8.144 12.806 -14.315 1.00 0.00 1CDR7744
+ATOM 7524 H GLU 76 5.295 8.322 -14.236 1.00 0.00 1CDR7745
+ATOM 7525 HA GLU 76 4.648 10.468 -16.178 1.00 0.00 1CDR7746
+ATOM 7526 1HB GLU 76 4.116 11.493 -14.040 1.00 0.00 1CDR7747
+ATOM 7527 2HB GLU 76 5.647 10.945 -13.355 1.00 0.00 1CDR7748
+ATOM 7528 1HG GLU 76 6.202 12.372 -15.776 1.00 0.00 1CDR7749
+ATOM 7529 2HG GLU 76 5.134 13.360 -14.777 1.00 0.00 1CDR7750
+ATOM 7530 N ASN 77 7.066 10.517 -16.874 1.00 0.00 1CDR7751
+ATOM 7531 CA ASN 77 8.473 10.367 -17.339 1.00 0.00 1CDR7752
+ATOM 7532 C ASN 77 9.066 11.749 -17.621 1.00 0.00 1CDR7753
+ATOM 7533 O ASN 77 9.254 12.065 -18.784 1.00 0.00 1CDR7754
+ATOM 7534 CB ASN 77 8.499 9.530 -18.620 1.00 0.00 1CDR7755
+ATOM 7535 CG ASN 77 9.937 9.419 -19.126 1.00 0.00 1CDR7756
+ATOM 7536 OD1 ASN 77 10.871 9.723 -18.411 1.00 0.00 1CDR7757
+ATOM 7537 ND2 ASN 77 10.158 8.990 -20.340 1.00 0.00 1CDR7758
+ATOM 7538 OXT ASN 77 9.323 12.467 -16.668 1.00 0.00 1CDR7759
+ATOM 7539 H ASN 77 6.419 11.010 -17.420 1.00 0.00 1CDR7760
+ATOM 7540 HA ASN 77 9.055 9.874 -16.575 1.00 0.00 1CDR7761
+ATOM 7541 1HB ASN 77 8.111 8.544 -18.413 1.00 0.00 1CDR7762
+ATOM 7542 2HB ASN 77 7.890 10.006 -19.374 1.00 0.00 1CDR7763
+ATOM 7543 1HD2 ASN 77 11.076 8.914 -20.672 1.00 0.00 1CDR7764
+ATOM 7544 2HD2 ASN 77 9.405 8.744 -20.917 1.00 0.00 1CDR7765
+TER 7545 ASN 77 1CDR7766
+HETATM 7546 C1 NAG 78 9.731 -12.431 -2.055 1.00 0.00 1 1CDR7767
+HETATM 7547 C2 NAG 78 11.096 -11.838 -1.733 1.00 0.00 1 1CDR7768
+HETATM 7548 C3 NAG 78 12.108 -12.371 -2.731 1.00 0.00 1 1CDR7769
+HETATM 7549 C4 NAG 78 12.128 -13.885 -2.621 1.00 0.00 1 1CDR7770
+HETATM 7550 C5 NAG 78 10.729 -14.419 -2.922 1.00 0.00 1 1CDR7771
+HETATM 7551 C6 NAG 78 10.637 -15.929 -2.828 1.00 0.00 1 1CDR7772
+HETATM 7552 C7 NAG 78 11.503 -9.672 -0.814 1.00 0.00 1 1CDR7773
+HETATM 7553 C8 NAG 78 11.412 -8.162 -0.948 1.00 0.00 1 1CDR7774
+HETATM 7554 N2 NAG 78 11.040 -10.390 -1.801 1.00 0.00 1 1CDR7775
+HETATM 7555 O3 NAG 78 13.395 -11.837 -2.454 1.00 0.00 1 1CDR7776
+HETATM 7556 O4 NAG 78 13.082 -14.432 -3.552 1.00 0.00 1 1CDR7777
+HETATM 7557 O5 NAG 78 9.778 -13.865 -1.985 1.00 0.00 1 1CDR7778
+HETATM 7558 O6 NAG 78 9.743 -16.300 -1.762 1.00 0.00 1 1CDR7779
+HETATM 7559 O7 NAG 78 11.985 -10.194 0.171 1.00 0.00 1 1CDR7780
+HETATM 7560 H1 NAG 78 9.440 -12.163 -3.083 1.00 0.00 1 1CDR7781
+HETATM 7561 H2 NAG 78 11.392 -12.151 -0.722 1.00 0.00 1 1CDR7782
+HETATM 7562 H3 NAG 78 11.791 -12.090 -3.745 1.00 0.00 1 1CDR7783
+HETATM 7563 H4 NAG 78 12.402 -14.164 -1.594 1.00 0.00 1 1CDR7784
+HETATM 7564 H5 NAG 78 10.430 -14.101 -3.932 1.00 0.00 1 1CDR7785
+HETATM 7565 1H6 NAG 78 11.639 -16.339 -2.643 1.00 0.00 1 1CDR7786
+HETATM 7566 2H6 NAG 78 10.274 -16.328 -3.786 1.00 0.00 1 1CDR7787
+HETATM 7567 1H8 NAG 78 12.056 -7.812 -1.767 1.00 0.00 1 1CDR7788
+HETATM 7568 2H8 NAG 78 11.736 -7.676 -0.017 1.00 0.00 1 1CDR7789
+HETATM 7569 3H8 NAG 78 10.377 -7.859 -1.161 1.00 0.00 1 1CDR7790
+HETATM 7570 HN2 NAG 78 10.655 -9.952 -2.587 1.00 0.00 1 1CDR7791
+HETATM 7571 HO3 NAG 78 13.751 -11.439 -3.251 1.00 0.00 1 1CDR7792
+HETATM 7572 C1 NAG 79 14.414 -14.306 -3.195 1.00 0.00 1CDR7793
+HETATM 7573 C2 NAG 79 14.988 -15.670 -2.837 1.00 0.00 1CDR7794
+HETATM 7574 C3 NAG 79 16.454 -15.500 -2.477 1.00 0.00 1CDR7795
+HETATM 7575 C4 NAG 79 17.168 -14.898 -3.673 1.00 0.00 1CDR7796
+HETATM 7576 C5 NAG 79 16.529 -13.552 -4.006 1.00 0.00 1CDR7797
+HETATM 7577 C6 NAG 79 17.168 -12.872 -5.202 1.00 0.00 1CDR7798
+HETATM 7578 C7 NAG 79 13.698 -17.419 -1.851 1.00 0.00 1CDR7799
+HETATM 7579 C8 NAG 79 12.948 -17.972 -0.650 1.00 0.00 1CDR7800
+HETATM 7580 N2 NAG 79 14.259 -16.247 -1.724 1.00 0.00 1CDR7801
+HETATM 7581 O3 NAG 79 17.023 -16.757 -2.142 1.00 0.00 1CDR7802
+HETATM 7582 O4 NAG 79 18.547 -14.723 -3.376 1.00 0.00 1CDR7803
+HETATM 7583 O5 NAG 79 15.125 -13.732 -4.304 1.00 0.00 1CDR7804
+HETATM 7584 O6 NAG 79 17.170 -11.461 -5.052 1.00 0.00 1CDR7805
+HETATM 7585 O7 NAG 79 13.774 -18.042 -2.892 1.00 0.00 1CDR7806
+HETATM 7586 H1 NAG 79 14.512 -13.616 -2.343 1.00 0.00 1CDR7807
+HETATM 7587 H2 NAG 79 14.912 -16.329 -3.712 1.00 0.00 1CDR7808
+HETATM 7588 H3 NAG 79 16.535 -14.808 -1.627 1.00 0.00 1CDR7809
+HETATM 7589 H4 NAG 79 17.050 -15.570 -4.535 1.00 0.00 1CDR7810
+HETATM 7590 H5 NAG 79 16.603 -12.889 -3.132 1.00 0.00 1CDR7811
+HETATM 7591 1H6 NAG 79 16.611 -13.153 -6.108 1.00 0.00 1CDR7812
+HETATM 7592 2H6 NAG 79 18.197 -13.241 -5.311 1.00 0.00 1CDR7813
+HETATM 7593 1H8 NAG 79 12.461 -17.157 -0.096 1.00 0.00 1CDR7814
+HETATM 7594 2H8 NAG 79 13.642 -18.491 0.026 1.00 0.00 1CDR7815
+HETATM 7595 3H8 NAG 79 12.178 -18.684 -0.977 1.00 0.00 1CDR7816
+HETATM 7596 HN2 NAG 79 14.186 -15.757 -0.878 1.00 0.00 1CDR7817
+HETATM 7597 HO4 NAG 79 18.658 -13.938 -2.836 1.00 0.00 1CDR7818
+HETATM 7598 HO3 NAG 79 17.975 -16.713 -2.250 1.00 0.00 1CDR7819
+HETATM 7599 HO6 NAG 79 16.686 -11.224 -4.258 1.00 0.00 1CDR7820
+HETATM 7600 C1 FUC 80 8.652 -17.033 -2.238 1.00 0.00 1CDR7821
+HETATM 7601 C2 FUC 80 9.078 -18.482 -2.437 1.00 0.00 1CDR7822
+HETATM 7602 C3 FUC 80 9.463 -19.068 -1.088 1.00 0.00 1CDR7823
+HETATM 7603 C4 FUC 80 8.255 -18.975 -0.171 1.00 0.00 1CDR7824
+HETATM 7604 C5 FUC 80 7.853 -17.510 -0.033 1.00 0.00 1CDR7825
+HETATM 7605 C6 FUC 80 6.633 -17.310 0.843 1.00 0.00 1CDR7826
+HETATM 7606 O2 FUC 80 10.180 -18.545 -3.330 1.00 0.00 1CDR7827
+HETATM 7607 O3 FUC 80 9.865 -20.421 -1.241 1.00 0.00 1CDR7828
+HETATM 7608 O4 FUC 80 7.178 -19.729 -0.708 1.00 0.00 1CDR7829
+HETATM 7609 O5 FUC 80 7.550 -16.968 -1.337 1.00 0.00 1CDR7830
+HETATM 7610 H1 FUC 80 8.314 -16.606 -3.196 1.00 0.00 1CDR7831
+HETATM 7611 H2 FUC 80 8.230 -19.049 -2.844 1.00 0.00 1CDR7832
+HETATM 7612 H3 FUC 80 10.283 -18.474 -0.662 1.00 0.00 1CDR7833
+HETATM 7613 H4 FUC 80 8.530 -19.363 0.820 1.00 0.00 1CDR7834
+HETATM 7614 H5 FUC 80 8.696 -16.940 0.381 1.00 0.00 1CDR7835
+HETATM 7615 1H6 FUC 80 6.541 -16.251 1.121 1.00 0.00 1CDR7836
+HETATM 7616 2H6 FUC 80 6.724 -17.914 1.757 1.00 0.00 1CDR7837
+HETATM 7617 3H6 FUC 80 5.728 -17.617 0.299 1.00 0.00 1CDR7838
+HETATM 7618 HO2 FUC 80 10.997 -18.424 -2.838 1.00 0.00 1CDR7839
+HETATM 7619 HO3 FUC 80 10.463 -20.492 -1.989 1.00 0.00 1CDR7840
+HETATM 7620 HO4 FUC 80 6.449 -19.730 -0.083 1.00 0.00 1CDR7841
+ENDMDL 1CDR7842
+MODEL 7 1CDR7843
+ATOM 7621 N LEU 1 4.168 -12.051 -6.211 1.00 0.00 1CDR7844
+ATOM 7622 CA LEU 1 4.149 -10.627 -6.649 1.00 0.00 1CDR7845
+ATOM 7623 C LEU 1 4.507 -9.724 -5.464 1.00 0.00 1CDR7846
+ATOM 7624 O LEU 1 3.757 -9.604 -4.515 1.00 0.00 1CDR7847
+ATOM 7625 CB LEU 1 2.753 -10.269 -7.161 1.00 0.00 1CDR7848
+ATOM 7626 CG LEU 1 2.871 -9.259 -8.303 1.00 0.00 1CDR7849
+ATOM 7627 CD1 LEU 1 2.207 -9.824 -9.559 1.00 0.00 1CDR7850
+ATOM 7628 CD2 LEU 1 2.176 -7.955 -7.903 1.00 0.00 1CDR7851
+ATOM 7629 1H LEU 1 5.021 -12.229 -5.645 1.00 0.00 1CDR7852
+ATOM 7630 2H LEU 1 3.325 -12.248 -5.635 1.00 0.00 1CDR7853
+ATOM 7631 3H LEU 1 4.170 -12.670 -7.048 1.00 0.00 1CDR7854
+ATOM 7632 HA LEU 1 4.870 -10.483 -7.439 1.00 0.00 1CDR7855
+ATOM 7633 1HB LEU 1 2.263 -11.163 -7.518 1.00 0.00 1CDR7856
+ATOM 7634 2HB LEU 1 2.174 -9.837 -6.358 1.00 0.00 1CDR7857
+ATOM 7635 HG LEU 1 3.914 -9.064 -8.505 1.00 0.00 1CDR7858
+ATOM 7636 1HD1 LEU 1 1.487 -10.579 -9.278 1.00 0.00 1CDR7859
+ATOM 7637 2HD1 LEU 1 1.705 -9.030 -10.091 1.00 0.00 1CDR7860
+ATOM 7638 3HD1 LEU 1 2.959 -10.265 -10.196 1.00 0.00 1CDR7861
+ATOM 7639 1HD2 LEU 1 1.197 -8.178 -7.502 1.00 0.00 1CDR7862
+ATOM 7640 2HD2 LEU 1 2.765 -7.447 -7.155 1.00 0.00 1CDR7863
+ATOM 7641 3HD2 LEU 1 2.072 -7.321 -8.772 1.00 0.00 1CDR7864
+ATOM 7642 N GLN 2 5.646 -9.092 -5.512 1.00 0.00 1CDR7865
+ATOM 7643 CA GLN 2 6.054 -8.199 -4.390 1.00 0.00 1CDR7866
+ATOM 7644 C GLN 2 5.569 -6.775 -4.663 1.00 0.00 1CDR7867
+ATOM 7645 O GLN 2 5.423 -6.364 -5.797 1.00 0.00 1CDR7868
+ATOM 7646 CB GLN 2 7.579 -8.199 -4.271 1.00 0.00 1CDR7869
+ATOM 7647 CG GLN 2 8.048 -9.545 -3.717 1.00 0.00 1CDR7870
+ATOM 7648 CD GLN 2 8.224 -10.533 -4.871 1.00 0.00 1CDR7871
+ATOM 7649 OE1 GLN 2 7.327 -11.290 -5.180 1.00 0.00 1CDR7872
+ATOM 7650 NE2 GLN 2 9.354 -10.557 -5.527 1.00 0.00 1CDR7873
+ATOM 7651 H GLN 2 6.236 -9.205 -6.286 1.00 0.00 1CDR7874
+ATOM 7652 HA GLN 2 5.622 -8.557 -3.467 1.00 0.00 1CDR7875
+ATOM 7653 1HB GLN 2 8.016 -8.038 -5.246 1.00 0.00 1CDR7876
+ATOM 7654 2HB GLN 2 7.889 -7.410 -3.603 1.00 0.00 1CDR7877
+ATOM 7655 1HG GLN 2 8.991 -9.414 -3.206 1.00 0.00 1CDR7878
+ATOM 7656 2HG GLN 2 7.312 -9.927 -3.027 1.00 0.00 1CDR7879
+ATOM 7657 1HE2 GLN 2 9.475 -11.186 -6.268 1.00 0.00 1CDR7880
+ATOM 7658 2HE2 GLN 2 10.077 -9.944 -5.279 1.00 0.00 1CDR7881
+ATOM 7659 N CYS 3 5.322 -6.018 -3.630 1.00 0.00 1CDR7882
+ATOM 7660 CA CYS 3 4.851 -4.619 -3.826 1.00 0.00 1CDR7883
+ATOM 7661 C CYS 3 5.423 -3.728 -2.721 1.00 0.00 1CDR7884
+ATOM 7662 O CYS 3 5.917 -4.205 -1.720 1.00 0.00 1CDR7885
+ATOM 7663 CB CYS 3 3.325 -4.582 -3.774 1.00 0.00 1CDR7886
+ATOM 7664 SG CYS 3 2.649 -5.704 -5.023 1.00 0.00 1CDR7887
+ATOM 7665 H CYS 3 5.450 -6.370 -2.724 1.00 0.00 1CDR7888
+ATOM 7666 HA CYS 3 5.181 -4.260 -4.784 1.00 0.00 1CDR7889
+ATOM 7667 1HB CYS 3 2.998 -4.889 -2.799 1.00 0.00 1CDR7890
+ATOM 7668 2HB CYS 3 2.981 -3.577 -3.970 1.00 0.00 1CDR7891
+ATOM 7669 N TYR 4 5.362 -2.435 -2.896 1.00 0.00 1CDR7892
+ATOM 7670 CA TYR 4 5.905 -1.515 -1.858 1.00 0.00 1CDR7893
+ATOM 7671 C TYR 4 4.785 -1.110 -0.897 1.00 0.00 1CDR7894
+ATOM 7672 O TYR 4 3.940 -0.299 -1.221 1.00 0.00 1CDR7895
+ATOM 7673 CB TYR 4 6.477 -0.266 -2.533 1.00 0.00 1CDR7896
+ATOM 7674 CG TYR 4 7.879 -0.548 -3.028 1.00 0.00 1CDR7897
+ATOM 7675 CD1 TYR 4 8.298 -1.868 -3.243 1.00 0.00 1CDR7898
+ATOM 7676 CD2 TYR 4 8.760 0.513 -3.271 1.00 0.00 1CDR7899
+ATOM 7677 CE1 TYR 4 9.596 -2.125 -3.699 1.00 0.00 1CDR7900
+ATOM 7678 CE2 TYR 4 10.058 0.255 -3.727 1.00 0.00 1CDR7901
+ATOM 7679 CZ TYR 4 10.477 -1.063 -3.941 1.00 0.00 1CDR7902
+ATOM 7680 OH TYR 4 11.756 -1.316 -4.390 1.00 0.00 1CDR7903
+ATOM 7681 H TYR 4 4.961 -2.070 -3.712 1.00 0.00 1CDR7904
+ATOM 7682 HA TYR 4 6.689 -2.016 -1.307 1.00 0.00 1CDR7905
+ATOM 7683 1HB TYR 4 5.850 0.008 -3.368 1.00 0.00 1CDR7906
+ATOM 7684 2HB TYR 4 6.504 0.547 -1.823 1.00 0.00 1CDR7907
+ATOM 7685 HD1 TYR 4 7.619 -2.687 -3.056 1.00 0.00 1CDR7908
+ATOM 7686 HD2 TYR 4 8.439 1.531 -3.106 1.00 0.00 1CDR7909
+ATOM 7687 HE1 TYR 4 9.918 -3.142 -3.864 1.00 0.00 1CDR7910
+ATOM 7688 HE2 TYR 4 10.738 1.073 -3.914 1.00 0.00 1CDR7911
+ATOM 7689 HH TYR 4 12.086 -2.088 -3.924 1.00 0.00 1CDR7912
+ATOM 7690 N ASN 5 4.774 -1.666 0.284 1.00 0.00 1CDR7913
+ATOM 7691 CA ASN 5 3.709 -1.312 1.263 1.00 0.00 1CDR7914
+ATOM 7692 C ASN 5 4.231 -0.243 2.226 1.00 0.00 1CDR7915
+ATOM 7693 O ASN 5 5.259 -0.407 2.854 1.00 0.00 1CDR7916
+ATOM 7694 CB ASN 5 3.307 -2.559 2.052 1.00 0.00 1CDR7917
+ATOM 7695 CG ASN 5 1.856 -2.427 2.515 1.00 0.00 1CDR7918
+ATOM 7696 OD1 ASN 5 1.023 -3.249 2.187 1.00 0.00 1CDR7919
+ATOM 7697 ND2 ASN 5 1.514 -1.418 3.270 1.00 0.00 1CDR7920
+ATOM 7698 H ASN 5 5.465 -2.317 0.526 1.00 0.00 1CDR7921
+ATOM 7699 HA ASN 5 2.848 -0.928 0.735 1.00 0.00 1CDR7922
+ATOM 7700 1HB ASN 5 3.406 -3.432 1.421 1.00 0.00 1CDR7923
+ATOM 7701 2HB ASN 5 3.950 -2.663 2.914 1.00 0.00 1CDR7924
+ATOM 7702 1HD2 ASN 5 0.587 -1.323 3.569 1.00 0.00 1CDR7925
+ATOM 7703 2HD2 ASN 5 2.186 -0.756 3.535 1.00 0.00 1CDR7926
+ATOM 7704 N CYS 6 3.531 0.851 2.348 1.00 0.00 1CDR7927
+ATOM 7705 CA CYS 6 3.986 1.928 3.270 1.00 0.00 1CDR7928
+ATOM 7706 C CYS 6 2.761 2.604 3.901 1.00 0.00 1CDR7929
+ATOM 7707 O CYS 6 1.789 2.871 3.222 1.00 0.00 1CDR7930
+ATOM 7708 CB CYS 6 4.791 2.963 2.483 1.00 0.00 1CDR7931
+ATOM 7709 SG CYS 6 5.903 2.115 1.336 1.00 0.00 1CDR7932
+ATOM 7710 H CYS 6 2.705 0.962 1.836 1.00 0.00 1CDR7933
+ATOM 7711 HA CYS 6 4.606 1.498 4.042 1.00 0.00 1CDR7934
+ATOM 7712 1HB CYS 6 4.116 3.597 1.927 1.00 0.00 1CDR7935
+ATOM 7713 2HB CYS 6 5.370 3.564 3.168 1.00 0.00 1CDR7936
+ATOM 7714 N PRO 7 2.840 2.856 5.184 1.00 0.00 1CDR7937
+ATOM 7715 CA PRO 7 1.747 3.496 5.935 1.00 0.00 1CDR7938
+ATOM 7716 C PRO 7 1.731 5.011 5.699 1.00 0.00 1CDR7939
+ATOM 7717 O PRO 7 0.824 5.702 6.118 1.00 0.00 1CDR7940
+ATOM 7718 CB PRO 7 2.084 3.180 7.395 1.00 0.00 1CDR7941
+ATOM 7719 CG PRO 7 3.604 2.888 7.439 1.00 0.00 1CDR7942
+ATOM 7720 CD PRO 7 4.024 2.527 6.003 1.00 0.00 1CDR7943
+ATOM 7721 HA PRO 7 0.797 3.058 5.675 1.00 0.00 1CDR7944
+ATOM 7722 1HB PRO 7 1.847 4.029 8.021 1.00 0.00 1CDR7945
+ATOM 7723 2HB PRO 7 1.537 2.310 7.723 1.00 0.00 1CDR7946
+ATOM 7724 1HG PRO 7 4.138 3.766 7.776 1.00 0.00 1CDR7947
+ATOM 7725 2HG PRO 7 3.802 2.057 8.097 1.00 0.00 1CDR7948
+ATOM 7726 1HD PRO 7 4.877 3.119 5.699 1.00 0.00 1CDR7949
+ATOM 7727 2HD PRO 7 4.248 1.473 5.928 1.00 0.00 1CDR7950
+ATOM 7728 N ASN 8 2.727 5.536 5.037 1.00 0.00 1CDR7951
+ATOM 7729 CA ASN 8 2.757 7.006 4.789 1.00 0.00 1CDR7952
+ATOM 7730 C ASN 8 2.869 7.283 3.287 1.00 0.00 1CDR7953
+ATOM 7731 O ASN 8 3.510 6.542 2.567 1.00 0.00 1CDR7954
+ATOM 7732 CB ASN 8 3.961 7.617 5.509 1.00 0.00 1CDR7955
+ATOM 7733 CG ASN 8 3.569 7.981 6.942 1.00 0.00 1CDR7956
+ATOM 7734 OD1 ASN 8 2.467 7.700 7.372 1.00 0.00 1CDR7957
+ATOM 7735 ND2 ASN 8 4.429 8.599 7.703 1.00 0.00 1CDR7958
+ATOM 7736 H ASN 8 3.454 4.967 4.709 1.00 0.00 1CDR7959
+ATOM 7737 HA ASN 8 1.851 7.451 5.168 1.00 0.00 1CDR7960
+ATOM 7738 1HB ASN 8 4.770 6.901 5.527 1.00 0.00 1CDR7961
+ATOM 7739 2HB ASN 8 4.278 8.507 4.987 1.00 0.00 1CDR7962
+ATOM 7740 1HD2 ASN 8 4.187 8.835 8.623 1.00 0.00 1CDR7963
+ATOM 7741 2HD2 ASN 8 5.316 8.827 7.356 1.00 0.00 1CDR7964
+ATOM 7742 N PRO 9 2.242 8.352 2.860 1.00 0.00 1CDR7965
+ATOM 7743 CA PRO 9 2.252 8.766 1.448 1.00 0.00 1CDR7966
+ATOM 7744 C PRO 9 3.575 9.450 1.114 1.00 0.00 1CDR7967
+ATOM 7745 O PRO 9 3.680 10.660 1.102 1.00 0.00 1CDR7968
+ATOM 7746 CB PRO 9 1.083 9.750 1.351 1.00 0.00 1CDR7969
+ATOM 7747 CG PRO 9 0.838 10.276 2.786 1.00 0.00 1CDR7970
+ATOM 7748 CD PRO 9 1.465 9.246 3.745 1.00 0.00 1CDR7971
+ATOM 7749 HA PRO 9 2.088 7.922 0.800 1.00 0.00 1CDR7972
+ATOM 7750 1HB PRO 9 1.340 10.567 0.691 1.00 0.00 1CDR7973
+ATOM 7751 2HB PRO 9 0.199 9.245 0.993 1.00 0.00 1CDR7974
+ATOM 7752 1HG PRO 9 1.312 11.240 2.911 1.00 0.00 1CDR7975
+ATOM 7753 2HG PRO 9 -0.220 10.354 2.977 1.00 0.00 1CDR7976
+ATOM 7754 1HD PRO 9 2.115 9.739 4.454 1.00 0.00 1CDR7977
+ATOM 7755 2HD PRO 9 0.697 8.687 4.256 1.00 0.00 1CDR7978
+ATOM 7756 N THR 10 4.586 8.678 0.850 1.00 0.00 1CDR7979
+ATOM 7757 CA THR 10 5.914 9.269 0.522 1.00 0.00 1CDR7980
+ATOM 7758 C THR 10 6.238 9.024 -0.954 1.00 0.00 1CDR7981
+ATOM 7759 O THR 10 5.714 8.119 -1.572 1.00 0.00 1CDR7982
+ATOM 7760 CB THR 10 6.991 8.620 1.394 1.00 0.00 1CDR7983
+ATOM 7761 OG1 THR 10 8.275 8.977 0.902 1.00 0.00 1CDR7984
+ATOM 7762 CG2 THR 10 6.832 7.099 1.356 1.00 0.00 1CDR7985
+ATOM 7763 H THR 10 4.471 7.704 0.871 1.00 0.00 1CDR7986
+ATOM 7764 HA THR 10 5.890 10.332 0.712 1.00 0.00 1CDR7987
+ATOM 7765 HB THR 10 6.886 8.963 2.412 1.00 0.00 1CDR7988
+ATOM 7766 HG1 THR 10 8.920 8.390 1.302 1.00 0.00 1CDR7989
+ATOM 7767 1HG2 THR 10 6.613 6.785 0.345 1.00 0.00 1CDR7990
+ATOM 7768 2HG2 THR 10 7.748 6.633 1.686 1.00 0.00 1CDR7991
+ATOM 7769 3HG2 THR 10 6.022 6.805 2.007 1.00 0.00 1CDR7992
+ATOM 7770 N ALA 11 7.102 9.821 -1.521 1.00 0.00 1CDR7993
+ATOM 7771 CA ALA 11 7.463 9.631 -2.953 1.00 0.00 1CDR7994
+ATOM 7772 C ALA 11 8.844 8.978 -3.043 1.00 0.00 1CDR7995
+ATOM 7773 O ALA 11 9.622 9.267 -3.930 1.00 0.00 1CDR7996
+ATOM 7774 CB ALA 11 7.491 10.989 -3.658 1.00 0.00 1CDR7997
+ATOM 7775 H ALA 11 7.516 10.543 -1.002 1.00 0.00 1CDR7998
+ATOM 7776 HA ALA 11 6.732 8.993 -3.427 1.00 0.00 1CDR7999
+ATOM 7777 1HB ALA 11 6.950 11.713 -3.067 1.00 0.00 1CDR8000
+ATOM 7778 2HB ALA 11 8.514 11.313 -3.776 1.00 0.00 1CDR8001
+ATOM 7779 3HB ALA 11 7.027 10.900 -4.630 1.00 0.00 1CDR8002
+ATOM 7780 N ASP 12 9.155 8.100 -2.129 1.00 0.00 1CDR8003
+ATOM 7781 CA ASP 12 10.485 7.427 -2.159 1.00 0.00 1CDR8004
+ATOM 7782 C ASP 12 10.501 6.282 -1.145 1.00 0.00 1CDR8005
+ATOM 7783 O ASP 12 11.473 6.070 -0.447 1.00 0.00 1CDR8006
+ATOM 7784 CB ASP 12 11.576 8.438 -1.801 1.00 0.00 1CDR8007
+ATOM 7785 CG ASP 12 11.181 9.187 -0.528 1.00 0.00 1CDR8008
+ATOM 7786 OD1 ASP 12 11.132 8.556 0.516 1.00 0.00 1CDR8009
+ATOM 7787 OD2 ASP 12 10.934 10.378 -0.617 1.00 0.00 1CDR8010
+ATOM 7788 H ASP 12 8.513 7.881 -1.421 1.00 0.00 1CDR8011
+ATOM 7789 HA ASP 12 10.668 7.034 -3.149 1.00 0.00 1CDR8012
+ATOM 7790 1HB ASP 12 12.509 7.918 -1.641 1.00 0.00 1CDR8013
+ATOM 7791 2HB ASP 12 11.691 9.144 -2.611 1.00 0.00 1CDR8014
+ATOM 7792 N CYS 13 9.430 5.540 -1.058 1.00 0.00 1CDR8015
+ATOM 7793 CA CYS 13 9.383 4.409 -0.089 1.00 0.00 1CDR8016
+ATOM 7794 C CYS 13 10.376 3.327 -0.520 1.00 0.00 1CDR8017
+ATOM 7795 O CYS 13 10.870 3.331 -1.630 1.00 0.00 1CDR8018
+ATOM 7796 CB CYS 13 7.972 3.821 -0.061 1.00 0.00 1CDR8019
+ATOM 7797 SG CYS 13 7.666 3.074 1.559 1.00 0.00 1CDR8020
+ATOM 7798 H CYS 13 8.657 5.728 -1.630 1.00 0.00 1CDR8021
+ATOM 7799 HA CYS 13 9.645 4.767 0.896 1.00 0.00 1CDR8022
+ATOM 7800 1HB CYS 13 7.250 4.605 -0.238 1.00 0.00 1CDR8023
+ATOM 7801 2HB CYS 13 7.881 3.066 -0.828 1.00 0.00 1CDR8024
+ATOM 7802 N LYS 14 10.671 2.398 0.349 1.00 0.00 1CDR8025
+ATOM 7803 CA LYS 14 11.630 1.317 -0.014 1.00 0.00 1CDR8026
+ATOM 7804 C LYS 14 11.324 0.064 0.810 1.00 0.00 1CDR8027
+ATOM 7805 O LYS 14 12.214 -0.619 1.276 1.00 0.00 1CDR8028
+ATOM 7806 CB LYS 14 13.060 1.784 0.272 1.00 0.00 1CDR8029
+ATOM 7807 CG LYS 14 13.134 2.381 1.679 1.00 0.00 1CDR8030
+ATOM 7808 CD LYS 14 14.305 1.752 2.437 1.00 0.00 1CDR8031
+ATOM 7809 CE LYS 14 13.769 0.860 3.556 1.00 0.00 1CDR8032
+ATOM 7810 NZ LYS 14 14.880 0.508 4.486 1.00 0.00 1CDR8033
+ATOM 7811 H LYS 14 10.262 2.412 1.239 1.00 0.00 1CDR8034
+ATOM 7812 HA LYS 14 11.531 1.088 -1.065 1.00 0.00 1CDR8035
+ATOM 7813 1HB LYS 14 13.733 0.943 0.201 1.00 0.00 1CDR8036
+ATOM 7814 2HB LYS 14 13.344 2.534 -0.450 1.00 0.00 1CDR8037
+ATOM 7815 1HG LYS 14 13.281 3.449 1.609 1.00 0.00 1CDR8038
+ATOM 7816 2HG LYS 14 12.215 2.177 2.207 1.00 0.00 1CDR8039
+ATOM 7817 1HD LYS 14 14.896 1.159 1.755 1.00 0.00 1CDR8040
+ATOM 7818 2HD LYS 14 14.919 2.531 2.862 1.00 0.00 1CDR8041
+ATOM 7819 1HE LYS 14 12.998 1.385 4.101 1.00 0.00 1CDR8042
+ATOM 7820 2HE LYS 14 13.356 -0.044 3.132 1.00 0.00 1CDR8043
+ATOM 7821 1HZ LYS 14 15.639 1.216 4.399 1.00 0.00 1CDR8044
+ATOM 7822 2HZ LYS 14 14.526 0.495 5.463 1.00 0.00 1CDR8045
+ATOM 7823 3HZ LYS 14 15.252 -0.430 4.241 1.00 0.00 1CDR8046
+ATOM 7824 N THR 15 10.068 -0.245 0.989 1.00 0.00 1CDR8047
+ATOM 7825 CA THR 15 9.699 -1.453 1.779 1.00 0.00 1CDR8048
+ATOM 7826 C THR 15 9.946 -2.707 0.939 1.00 0.00 1CDR8049
+ATOM 7827 O THR 15 10.648 -3.611 1.345 1.00 0.00 1CDR8050
+ATOM 7828 CB THR 15 8.217 -1.384 2.149 1.00 0.00 1CDR8051
+ATOM 7829 OG1 THR 15 7.468 -1.003 1.003 1.00 0.00 1CDR8052
+ATOM 7830 CG2 THR 15 8.011 -0.356 3.262 1.00 0.00 1CDR8053
+ATOM 7831 H THR 15 9.366 0.319 0.602 1.00 0.00 1CDR8054
+ATOM 7832 HA THR 15 10.294 -1.496 2.679 1.00 0.00 1CDR8055
+ATOM 7833 HB THR 15 7.885 -2.352 2.491 1.00 0.00 1CDR8056
+ATOM 7834 HG1 THR 15 6.561 -0.852 1.277 1.00 0.00 1CDR8057
+ATOM 7835 1HG2 THR 15 8.891 -0.321 3.886 1.00 0.00 1CDR8058
+ATOM 7836 2HG2 THR 15 7.838 0.616 2.827 1.00 0.00 1CDR8059
+ATOM 7837 3HG2 THR 15 7.157 -0.640 3.859 1.00 0.00 1CDR8060
+ATOM 7838 N ALA 16 9.373 -2.765 -0.232 1.00 0.00 1CDR8061
+ATOM 7839 CA ALA 16 9.569 -3.954 -1.102 1.00 0.00 1CDR8062
+ATOM 7840 C ALA 16 9.387 -5.230 -0.277 1.00 0.00 1CDR8063
+ATOM 7841 O ALA 16 10.338 -5.809 0.210 1.00 0.00 1CDR8064
+ATOM 7842 CB ALA 16 10.978 -3.915 -1.690 1.00 0.00 1CDR8065
+ATOM 7843 H ALA 16 8.815 -2.025 -0.540 1.00 0.00 1CDR8066
+ATOM 7844 HA ALA 16 8.846 -3.937 -1.903 1.00 0.00 1CDR8067
+ATOM 7845 1HB ALA 16 11.211 -2.905 -1.996 1.00 0.00 1CDR8068
+ATOM 7846 2HB ALA 16 11.688 -4.236 -0.943 1.00 0.00 1CDR8069
+ATOM 7847 3HB ALA 16 11.030 -4.572 -2.544 1.00 0.00 1CDR8070
+ATOM 7848 N VAL 17 8.168 -5.675 -0.118 1.00 0.00 1CDR8071
+ATOM 7849 CA VAL 17 7.919 -6.913 0.675 1.00 0.00 1CDR8072
+ATOM 7850 C VAL 17 6.843 -7.756 -0.015 1.00 0.00 1CDR8073
+ATOM 7851 O VAL 17 5.953 -7.237 -0.659 1.00 0.00 1CDR8074
+ATOM 7852 CB VAL 17 7.443 -6.534 2.078 1.00 0.00 1CDR8075
+ATOM 7853 CG1 VAL 17 6.051 -5.904 1.992 1.00 0.00 1CDR8076
+ATOM 7854 CG2 VAL 17 7.378 -7.790 2.949 1.00 0.00 1CDR8077
+ATOM 7855 H VAL 17 7.416 -5.192 -0.520 1.00 0.00 1CDR8078
+ATOM 7856 HA VAL 17 8.833 -7.485 0.747 1.00 0.00 1CDR8079
+ATOM 7857 HB VAL 17 8.133 -5.826 2.513 1.00 0.00 1CDR8080
+ATOM 7858 1HG1 VAL 17 5.729 -5.883 0.962 1.00 0.00 1CDR8081
+ATOM 7859 2HG1 VAL 17 5.355 -6.487 2.576 1.00 0.00 1CDR8082
+ATOM 7860 3HG1 VAL 17 6.089 -4.895 2.377 1.00 0.00 1CDR8083
+ATOM 7861 1HG2 VAL 17 8.297 -8.347 2.848 1.00 0.00 1CDR8084
+ATOM 7862 2HG2 VAL 17 7.242 -7.505 3.983 1.00 0.00 1CDR8085
+ATOM 7863 3HG2 VAL 17 6.548 -8.404 2.634 1.00 0.00 1CDR8086
+ATOM 7864 N ASN 18 6.916 -9.052 0.117 1.00 0.00 1 1CDR8087
+ATOM 7865 CA ASN 18 5.897 -9.925 -0.529 1.00 0.00 1 1CDR8088
+ATOM 7866 C ASN 18 4.511 -9.574 0.015 1.00 0.00 1 1CDR8089
+ATOM 7867 O ASN 18 4.267 -9.633 1.203 1.00 0.00 1 1CDR8090
+ATOM 7868 CB ASN 18 6.207 -11.391 -0.220 1.00 0.00 1 1CDR8091
+ATOM 7869 CG ASN 18 7.000 -12.002 -1.376 1.00 0.00 1 1CDR8092
+ATOM 7870 OD1 ASN 18 6.444 -12.416 -2.373 1.00 0.00 1 1CDR8093
+ATOM 7871 ND2 ASN 18 8.298 -12.059 -1.250 1.00 0.00 1 1CDR8094
+ATOM 7872 H ASN 18 7.641 -9.451 0.642 1.00 0.00 1 1CDR8095
+ATOM 7873 HA ASN 18 5.914 -9.771 -1.598 1.00 0.00 1 1CDR8096
+ATOM 7874 1HB ASN 18 6.788 -11.450 0.688 1.00 0.00 1 1CDR8097
+ATOM 7875 2HB ASN 18 5.284 -11.936 -0.093 1.00 0.00 1 1CDR8098
+ATOM 7876 HD2 ASN 18 8.725 -11.718 -0.437 1.00 0.00 1 1CDR8099
+ATOM 7877 N CYS 19 3.600 -9.209 -0.845 1.00 0.00 1CDR8100
+ATOM 7878 CA CYS 19 2.233 -8.854 -0.373 1.00 0.00 1CDR8101
+ATOM 7879 C CYS 19 1.663 -10.007 0.455 1.00 0.00 1CDR8102
+ATOM 7880 O CYS 19 2.251 -11.066 0.552 1.00 0.00 1CDR8103
+ATOM 7881 CB CYS 19 1.328 -8.598 -1.580 1.00 0.00 1CDR8104
+ATOM 7882 SG CYS 19 1.698 -6.968 -2.276 1.00 0.00 1CDR8105
+ATOM 7883 H CYS 19 3.815 -9.167 -1.801 1.00 0.00 1CDR8106
+ATOM 7884 HA CYS 19 2.282 -7.962 0.235 1.00 0.00 1CDR8107
+ATOM 7885 1HB CYS 19 1.503 -9.357 -2.329 1.00 0.00 1CDR8108
+ATOM 7886 2HB CYS 19 0.294 -8.629 -1.268 1.00 0.00 1CDR8109
+ATOM 7887 N SER 20 0.520 -9.810 1.054 1.00 0.00 1CDR8110
+ATOM 7888 CA SER 20 -0.091 -10.893 1.875 1.00 0.00 1CDR8111
+ATOM 7889 C SER 20 -0.920 -11.806 0.970 1.00 0.00 1CDR8112
+ATOM 7890 O SER 20 -0.705 -11.874 -0.223 1.00 0.00 1CDR8113
+ATOM 7891 CB SER 20 -0.994 -10.276 2.943 1.00 0.00 1CDR8114
+ATOM 7892 OG SER 20 -0.865 -11.013 4.152 1.00 0.00 1CDR8115
+ATOM 7893 H SER 20 0.061 -8.949 0.963 1.00 0.00 1CDR8116
+ATOM 7894 HA SER 20 0.689 -11.469 2.351 1.00 0.00 1CDR8117
+ATOM 7895 1HB SER 20 -0.702 -9.254 3.119 1.00 0.00 1CDR8118
+ATOM 7896 2HB SER 20 -2.022 -10.301 2.602 1.00 0.00 1CDR8119
+ATOM 7897 HG SER 20 -1.725 -11.035 4.579 1.00 0.00 1CDR8120
+ATOM 7898 N SER 21 -1.868 -12.509 1.527 1.00 0.00 1CDR8121
+ATOM 7899 CA SER 21 -2.709 -13.415 0.696 1.00 0.00 1CDR8122
+ATOM 7900 C SER 21 -3.772 -12.592 -0.038 1.00 0.00 1CDR8123
+ATOM 7901 O SER 21 -4.118 -11.502 0.371 1.00 0.00 1CDR8124
+ATOM 7902 CB SER 21 -3.394 -14.446 1.595 1.00 0.00 1CDR8125
+ATOM 7903 OG SER 21 -4.399 -13.803 2.366 1.00 0.00 1CDR8126
+ATOM 7904 H SER 21 -2.027 -12.440 2.492 1.00 0.00 1CDR8127
+ATOM 7905 HA SER 21 -2.087 -13.923 -0.026 1.00 0.00 1CDR8128
+ATOM 7906 1HB SER 21 -3.847 -15.211 0.988 1.00 0.00 1CDR8129
+ATOM 7907 2HB SER 21 -2.658 -14.897 2.248 1.00 0.00 1CDR8130
+ATOM 7908 HG SER 21 -4.786 -14.456 2.955 1.00 0.00 1CDR8131
+ATOM 7909 N ASP 22 -4.291 -13.107 -1.119 1.00 0.00 1CDR8132
+ATOM 7910 CA ASP 22 -5.331 -12.356 -1.880 1.00 0.00 1CDR8133
+ATOM 7911 C ASP 22 -4.730 -11.060 -2.430 1.00 0.00 1CDR8134
+ATOM 7912 O ASP 22 -5.332 -10.007 -2.360 1.00 0.00 1CDR8135
+ATOM 7913 CB ASP 22 -6.503 -12.023 -0.954 1.00 0.00 1CDR8136
+ATOM 7914 CG ASP 22 -7.683 -12.943 -1.274 1.00 0.00 1CDR8137
+ATOM 7915 OD1 ASP 22 -7.527 -13.799 -2.129 1.00 0.00 1CDR8138
+ATOM 7916 OD2 ASP 22 -8.724 -12.776 -0.659 1.00 0.00 1CDR8139
+ATOM 7917 H ASP 22 -3.998 -13.988 -1.432 1.00 0.00 1CDR8140
+ATOM 7918 HA ASP 22 -5.683 -12.963 -2.700 1.00 0.00 1CDR8141
+ATOM 7919 1HB ASP 22 -6.202 -12.166 0.074 1.00 0.00 1CDR8142
+ATOM 7920 2HB ASP 22 -6.800 -10.996 -1.104 1.00 0.00 1CDR8143
+ATOM 7921 N PHE 23 -3.548 -11.130 -2.979 1.00 0.00 1CDR8144
+ATOM 7922 CA PHE 23 -2.910 -9.902 -3.535 1.00 0.00 1CDR8145
+ATOM 7923 C PHE 23 -2.017 -10.284 -4.718 1.00 0.00 1CDR8146
+ATOM 7924 O PHE 23 -1.166 -11.146 -4.613 1.00 0.00 1CDR8147
+ATOM 7925 CB PHE 23 -2.059 -9.232 -2.455 1.00 0.00 1CDR8148
+ATOM 7926 CG PHE 23 -2.956 -8.687 -1.369 1.00 0.00 1CDR8149
+ATOM 7927 CD1 PHE 23 -3.953 -7.754 -1.684 1.00 0.00 1CDR8150
+ATOM 7928 CD2 PHE 23 -2.790 -9.114 -0.047 1.00 0.00 1CDR8151
+ATOM 7929 CE1 PHE 23 -4.784 -7.251 -0.675 1.00 0.00 1CDR8152
+ATOM 7930 CE2 PHE 23 -3.621 -8.611 0.962 1.00 0.00 1CDR8153
+ATOM 7931 CZ PHE 23 -4.617 -7.679 0.648 1.00 0.00 1CDR8154
+ATOM 7932 H PHE 23 -3.079 -11.989 -3.026 1.00 0.00 1CDR8155
+ATOM 7933 HA PHE 23 -3.676 -9.218 -3.868 1.00 0.00 1CDR8156
+ATOM 7934 1HB PHE 23 -1.381 -9.958 -2.031 1.00 0.00 1CDR8157
+ATOM 7935 2HB PHE 23 -1.494 -8.424 -2.893 1.00 0.00 1CDR8158
+ATOM 7936 HD1 PHE 23 -4.081 -7.424 -2.704 1.00 0.00 1CDR8159
+ATOM 7937 HD2 PHE 23 -2.022 -9.833 0.195 1.00 0.00 1CDR8160
+ATOM 7938 HE1 PHE 23 -5.551 -6.531 -0.917 1.00 0.00 1CDR8161
+ATOM 7939 HE2 PHE 23 -3.493 -8.941 1.981 1.00 0.00 1CDR8162
+ATOM 7940 HZ PHE 23 -5.257 -7.290 1.427 1.00 0.00 1CDR8163
+ATOM 7941 N ASP 24 -2.203 -9.653 -5.846 1.00 0.00 1CDR8164
+ATOM 7942 CA ASP 24 -1.360 -9.988 -7.032 1.00 0.00 1CDR8165
+ATOM 7943 C ASP 24 -1.151 -8.739 -7.897 1.00 0.00 1CDR8166
+ATOM 7944 O ASP 24 -0.670 -8.821 -9.009 1.00 0.00 1CDR8167
+ATOM 7945 CB ASP 24 -2.051 -11.074 -7.865 1.00 0.00 1CDR8168
+ATOM 7946 CG ASP 24 -3.568 -10.989 -7.675 1.00 0.00 1CDR8169
+ATOM 7947 OD1 ASP 24 -4.177 -10.139 -8.303 1.00 0.00 1CDR8170
+ATOM 7948 OD2 ASP 24 -4.094 -11.775 -6.905 1.00 0.00 1CDR8171
+ATOM 7949 H ASP 24 -2.896 -8.964 -5.913 1.00 0.00 1CDR8172
+ATOM 7950 HA ASP 24 -0.402 -10.353 -6.696 1.00 0.00 1CDR8173
+ATOM 7951 1HB ASP 24 -1.810 -10.932 -8.909 1.00 0.00 1CDR8174
+ATOM 7952 2HB ASP 24 -1.705 -12.046 -7.545 1.00 0.00 1CDR8175
+ATOM 7953 N ALA 25 -1.502 -7.584 -7.397 1.00 0.00 1CDR8176
+ATOM 7954 CA ALA 25 -1.314 -6.339 -8.196 1.00 0.00 1CDR8177
+ATOM 7955 C ALA 25 -0.809 -5.222 -7.283 1.00 0.00 1CDR8178
+ATOM 7956 O ALA 25 -1.497 -4.787 -6.383 1.00 0.00 1CDR8179
+ATOM 7957 CB ALA 25 -2.647 -5.913 -8.817 1.00 0.00 1CDR8180
+ATOM 7958 H ALA 25 -1.884 -7.535 -6.497 1.00 0.00 1CDR8181
+ATOM 7959 HA ALA 25 -0.592 -6.518 -8.979 1.00 0.00 1CDR8182
+ATOM 7960 1HB ALA 25 -3.416 -5.918 -8.060 1.00 0.00 1CDR8183
+ATOM 7961 2HB ALA 25 -2.551 -4.915 -9.224 1.00 0.00 1CDR8184
+ATOM 7962 3HB ALA 25 -2.913 -6.598 -9.608 1.00 0.00 1CDR8185
+ATOM 7963 N CYS 26 0.379 -4.739 -7.510 1.00 0.00 1CDR8186
+ATOM 7964 CA CYS 26 0.894 -3.641 -6.650 1.00 0.00 1CDR8187
+ATOM 7965 C CYS 26 0.086 -2.386 -6.949 1.00 0.00 1CDR8188
+ATOM 7966 O CYS 26 -0.474 -2.240 -8.016 1.00 0.00 1CDR8189
+ATOM 7967 CB CYS 26 2.371 -3.390 -6.954 1.00 0.00 1CDR8190
+ATOM 7968 SG CYS 26 3.296 -4.937 -6.777 1.00 0.00 1CDR8191
+ATOM 7969 H CYS 26 0.922 -5.087 -8.248 1.00 0.00 1CDR8192
+ATOM 7970 HA CYS 26 0.771 -3.906 -5.608 1.00 0.00 1CDR8193
+ATOM 7971 1HB CYS 26 2.473 -3.022 -7.964 1.00 0.00 1CDR8194
+ATOM 7972 2HB CYS 26 2.761 -2.657 -6.262 1.00 0.00 1CDR8195
+ATOM 7973 N LEU 27 -0.002 -1.485 -6.018 1.00 0.00 1CDR8196
+ATOM 7974 CA LEU 27 -0.802 -0.258 -6.268 1.00 0.00 1CDR8197
+ATOM 7975 C LEU 27 0.060 0.988 -6.093 1.00 0.00 1CDR8198
+ATOM 7976 O LEU 27 0.608 1.241 -5.039 1.00 0.00 1CDR8199
+ATOM 7977 CB LEU 27 -1.969 -0.216 -5.286 1.00 0.00 1CDR8200
+ATOM 7978 CG LEU 27 -2.724 1.103 -5.426 1.00 0.00 1CDR8201
+ATOM 7979 CD1 LEU 27 -3.795 0.956 -6.508 1.00 0.00 1CDR8202
+ATOM 7980 CD2 LEU 27 -3.385 1.443 -4.089 1.00 0.00 1CDR8203
+ATOM 7981 H LEU 27 0.441 -1.623 -5.154 1.00 0.00 1CDR8204
+ATOM 7982 HA LEU 27 -1.188 -0.284 -7.275 1.00 0.00 1CDR8205
+ATOM 7983 1HB LEU 27 -2.638 -1.032 -5.503 1.00 0.00 1CDR8206
+ATOM 7984 2HB LEU 27 -1.597 -0.312 -4.276 1.00 0.00 1CDR8207
+ATOM 7985 HG LEU 27 -2.035 1.890 -5.703 1.00 0.00 1CDR8208
+ATOM 7986 1HD1 LEU 27 -4.136 -0.069 -6.541 1.00 0.00 1CDR8209
+ATOM 7987 2HD1 LEU 27 -4.628 1.605 -6.281 1.00 0.00 1CDR8210
+ATOM 7988 3HD1 LEU 27 -3.378 1.227 -7.467 1.00 0.00 1CDR8211
+ATOM 7989 1HD2 LEU 27 -2.890 0.898 -3.296 1.00 0.00 1CDR8212
+ATOM 7990 2HD2 LEU 27 -3.300 2.503 -3.903 1.00 0.00 1CDR8213
+ATOM 7991 3HD2 LEU 27 -4.427 1.164 -4.120 1.00 0.00 1CDR8214
+ATOM 7992 N ILE 28 0.163 1.779 -7.123 1.00 0.00 1CDR8215
+ATOM 7993 CA ILE 28 0.963 3.027 -7.030 1.00 0.00 1CDR8216
+ATOM 7994 C ILE 28 0.035 4.211 -7.301 1.00 0.00 1CDR8217
+ATOM 7995 O ILE 28 -0.094 4.675 -8.416 1.00 0.00 1CDR8218
+ATOM 7996 CB ILE 28 2.091 2.998 -8.064 1.00 0.00 1CDR8219
+ATOM 7997 CG1 ILE 28 2.824 4.342 -8.057 1.00 0.00 1CDR8220
+ATOM 7998 CG2 ILE 28 1.504 2.745 -9.453 1.00 0.00 1CDR8221
+ATOM 7999 CD1 ILE 28 4.181 4.189 -8.747 1.00 0.00 1CDR8222
+ATOM 8000 H ILE 28 -0.302 1.559 -7.957 1.00 0.00 1CDR8223
+ATOM 8001 HA ILE 28 1.377 3.115 -6.036 1.00 0.00 1CDR8224
+ATOM 8002 HB ILE 28 2.784 2.206 -7.817 1.00 0.00 1CDR8225
+ATOM 8003 1HG1 ILE 28 2.233 5.077 -8.583 1.00 0.00 1CDR8226
+ATOM 8004 2HG1 ILE 28 2.976 4.664 -7.038 1.00 0.00 1CDR8227
+ATOM 8005 1HG2 ILE 28 0.427 2.812 -9.406 1.00 0.00 1CDR8228
+ATOM 8006 2HG2 ILE 28 1.881 3.483 -10.144 1.00 0.00 1CDR8229
+ATOM 8007 3HG2 ILE 28 1.788 1.758 -9.790 1.00 0.00 1CDR8230
+ATOM 8008 1HD1 ILE 28 4.477 3.150 -8.732 1.00 0.00 1CDR8231
+ATOM 8009 2HD1 ILE 28 4.104 4.527 -9.770 1.00 0.00 1CDR8232
+ATOM 8010 3HD1 ILE 28 4.919 4.781 -8.227 1.00 0.00 1CDR8233
+ATOM 8011 N THR 29 -0.630 4.687 -6.284 1.00 0.00 1CDR8234
+ATOM 8012 CA THR 29 -1.571 5.827 -6.469 1.00 0.00 1CDR8235
+ATOM 8013 C THR 29 -0.892 7.127 -6.036 1.00 0.00 1CDR8236
+ATOM 8014 O THR 29 -0.349 7.228 -4.955 1.00 0.00 1CDR8237
+ATOM 8015 CB THR 29 -2.819 5.586 -5.614 1.00 0.00 1CDR8238
+ATOM 8016 OG1 THR 29 -3.608 4.568 -6.212 1.00 0.00 1CDR8239
+ATOM 8017 CG2 THR 29 -3.636 6.875 -5.516 1.00 0.00 1CDR8240
+ATOM 8018 H THR 29 -0.519 4.284 -5.398 1.00 0.00 1CDR8241
+ATOM 8019 HA THR 29 -1.854 5.896 -7.509 1.00 0.00 1CDR8242
+ATOM 8020 HB THR 29 -2.523 5.277 -4.624 1.00 0.00 1CDR8243
+ATOM 8021 HG1 THR 29 -3.328 3.723 -5.851 1.00 0.00 1CDR8244
+ATOM 8022 1HG2 THR 29 -3.000 7.678 -5.174 1.00 0.00 1CDR8245
+ATOM 8023 2HG2 THR 29 -4.037 7.121 -6.487 1.00 0.00 1CDR8246
+ATOM 8024 3HG2 THR 29 -4.447 6.734 -4.816 1.00 0.00 1CDR8247
+ATOM 8025 N LYS 30 -0.919 8.127 -6.875 1.00 0.00 1CDR8248
+ATOM 8026 CA LYS 30 -0.277 9.421 -6.512 1.00 0.00 1CDR8249
+ATOM 8027 C LYS 30 -1.329 10.530 -6.526 1.00 0.00 1CDR8250
+ATOM 8028 O LYS 30 -1.544 11.185 -7.527 1.00 0.00 1CDR8251
+ATOM 8029 CB LYS 30 0.825 9.745 -7.522 1.00 0.00 1CDR8252
+ATOM 8030 CG LYS 30 1.472 11.085 -7.164 1.00 0.00 1CDR8253
+ATOM 8031 CD LYS 30 1.743 11.881 -8.441 1.00 0.00 1CDR8254
+ATOM 8032 CE LYS 30 2.994 12.741 -8.252 1.00 0.00 1CDR8255
+ATOM 8033 NZ LYS 30 2.658 14.169 -8.511 1.00 0.00 1CDR8256
+ATOM 8034 H LYS 30 -1.364 8.026 -7.743 1.00 0.00 1CDR8257
+ATOM 8035 HA LYS 30 0.151 9.345 -5.523 1.00 0.00 1CDR8258
+ATOM 8036 1HB LYS 30 1.573 8.966 -7.501 1.00 0.00 1CDR8259
+ATOM 8037 2HB LYS 30 0.400 9.807 -8.513 1.00 0.00 1CDR8260
+ATOM 8038 1HG LYS 30 0.806 11.647 -6.523 1.00 0.00 1CDR8261
+ATOM 8039 2HG LYS 30 2.403 10.909 -6.647 1.00 0.00 1CDR8262
+ATOM 8040 1HD LYS 30 1.895 11.198 -9.265 1.00 0.00 1CDR8263
+ATOM 8041 2HD LYS 30 0.899 12.520 -8.654 1.00 0.00 1CDR8264
+ATOM 8042 1HE LYS 30 3.355 12.634 -7.240 1.00 0.00 1CDR8265
+ATOM 8043 2HE LYS 30 3.759 12.420 -8.944 1.00 0.00 1CDR8266
+ATOM 8044 1HZ LYS 30 1.632 14.308 -8.408 1.00 0.00 1CDR8267
+ATOM 8045 2HZ LYS 30 3.160 14.773 -7.830 1.00 0.00 1CDR8268
+ATOM 8046 3HZ LYS 30 2.948 14.424 -9.477 1.00 0.00 1CDR8269
+ATOM 8047 N ALA 31 -1.987 10.746 -5.421 1.00 0.00 1CDR8270
+ATOM 8048 CA ALA 31 -3.026 11.811 -5.365 1.00 0.00 1CDR8271
+ATOM 8049 C ALA 31 -2.417 13.140 -5.816 1.00 0.00 1CDR8272
+ATOM 8050 O ALA 31 -1.321 13.186 -6.338 1.00 0.00 1CDR8273
+ATOM 8051 CB ALA 31 -3.537 11.948 -3.929 1.00 0.00 1CDR8274
+ATOM 8052 H ALA 31 -1.798 10.205 -4.625 1.00 0.00 1CDR8275
+ATOM 8053 HA ALA 31 -3.846 11.549 -6.017 1.00 0.00 1CDR8276
+ATOM 8054 1HB ALA 31 -3.703 10.966 -3.512 1.00 0.00 1CDR8277
+ATOM 8055 2HB ALA 31 -2.805 12.472 -3.335 1.00 0.00 1CDR8278
+ATOM 8056 3HB ALA 31 -4.465 12.500 -3.929 1.00 0.00 1CDR8279
+ATOM 8057 N GLY 32 -3.118 14.223 -5.618 1.00 0.00 1CDR8280
+ATOM 8058 CA GLY 32 -2.575 15.546 -6.034 1.00 0.00 1CDR8281
+ATOM 8059 C GLY 32 -1.110 15.649 -5.608 1.00 0.00 1CDR8282
+ATOM 8060 O GLY 32 -0.281 16.185 -6.317 1.00 0.00 1CDR8283
+ATOM 8061 H GLY 32 -4.001 14.167 -5.194 1.00 0.00 1CDR8284
+ATOM 8062 1HA GLY 32 -2.647 15.642 -7.109 1.00 0.00 1CDR8285
+ATOM 8063 2HA GLY 32 -3.141 16.334 -5.562 1.00 0.00 1CDR8286
+ATOM 8064 N LEU 33 -0.784 15.139 -4.451 1.00 0.00 1CDR8287
+ATOM 8065 CA LEU 33 0.626 15.205 -3.976 1.00 0.00 1CDR8288
+ATOM 8066 C LEU 33 0.823 14.208 -2.832 1.00 0.00 1CDR8289
+ATOM 8067 O LEU 33 1.495 14.490 -1.860 1.00 0.00 1CDR8290
+ATOM 8068 CB LEU 33 0.931 16.619 -3.478 1.00 0.00 1CDR8291
+ATOM 8069 CG LEU 33 2.421 16.913 -3.657 1.00 0.00 1CDR8292
+ATOM 8070 CD1 LEU 33 2.761 16.949 -5.149 1.00 0.00 1CDR8293
+ATOM 8071 CD2 LEU 33 2.750 18.268 -3.027 1.00 0.00 1CDR8294
+ATOM 8072 H LEU 33 -1.469 14.711 -3.895 1.00 0.00 1CDR8295
+ATOM 8073 HA LEU 33 1.293 14.957 -4.789 1.00 0.00 1CDR8296
+ATOM 8074 1HB LEU 33 0.351 17.332 -4.046 1.00 0.00 1CDR8297
+ATOM 8075 2HB LEU 33 0.674 16.695 -2.433 1.00 0.00 1CDR8298
+ATOM 8076 HG LEU 33 3.001 16.139 -3.175 1.00 0.00 1CDR8299
+ATOM 8077 1HD1 LEU 33 1.976 16.459 -5.708 1.00 0.00 1CDR8300
+ATOM 8078 2HD1 LEU 33 2.847 17.975 -5.473 1.00 0.00 1CDR8301
+ATOM 8079 3HD1 LEU 33 3.697 16.439 -5.317 1.00 0.00 1CDR8302
+ATOM 8080 1HD2 LEU 33 1.967 18.546 -2.337 1.00 0.00 1CDR8303
+ATOM 8081 2HD2 LEU 33 3.690 18.201 -2.498 1.00 0.00 1CDR8304
+ATOM 8082 3HD2 LEU 33 2.828 19.016 -3.802 1.00 0.00 1CDR8305
+ATOM 8083 N GLN 34 0.241 13.046 -2.938 1.00 0.00 1CDR8306
+ATOM 8084 CA GLN 34 0.396 12.037 -1.854 1.00 0.00 1CDR8307
+ATOM 8085 C GLN 34 0.469 10.635 -2.463 1.00 0.00 1CDR8308
+ATOM 8086 O GLN 34 -0.536 10.041 -2.800 1.00 0.00 1CDR8309
+ATOM 8087 CB GLN 34 -0.803 12.119 -0.906 1.00 0.00 1CDR8310
+ATOM 8088 CG GLN 34 -0.348 12.673 0.445 1.00 0.00 1CDR8311
+ATOM 8089 CD GLN 34 -1.335 13.741 0.918 1.00 0.00 1CDR8312
+ATOM 8090 OE1 GLN 34 -0.960 14.875 1.144 1.00 0.00 1CDR8313
+ATOM 8091 NE2 GLN 34 -2.590 13.426 1.079 1.00 0.00 1CDR8314
+ATOM 8092 H GLN 34 -0.298 12.837 -3.730 1.00 0.00 1CDR8315
+ATOM 8093 HA GLN 34 1.304 12.236 -1.304 1.00 0.00 1CDR8316
+ATOM 8094 1HB GLN 34 -1.552 12.771 -1.330 1.00 0.00 1CDR8317
+ATOM 8095 2HB GLN 34 -1.221 11.133 -0.766 1.00 0.00 1CDR8318
+ATOM 8096 1HG GLN 34 -0.309 11.872 1.168 1.00 0.00 1CDR8319
+ATOM 8097 2HG GLN 34 0.634 13.113 0.341 1.00 0.00 1CDR8320
+ATOM 8098 1HE2 GLN 34 -3.231 14.103 1.381 1.00 0.00 1CDR8321
+ATOM 8099 2HE2 GLN 34 -2.893 12.512 0.897 1.00 0.00 1CDR8322
+ATOM 8100 N VAL 35 1.651 10.100 -2.605 1.00 0.00 1CDR8323
+ATOM 8101 CA VAL 35 1.787 8.737 -3.188 1.00 0.00 1CDR8324
+ATOM 8102 C VAL 35 1.123 7.719 -2.259 1.00 0.00 1CDR8325
+ATOM 8103 O VAL 35 0.860 7.998 -1.105 1.00 0.00 1CDR8326
+ATOM 8104 CB VAL 35 3.269 8.396 -3.346 1.00 0.00 1CDR8327
+ATOM 8105 CG1 VAL 35 3.414 7.122 -4.180 1.00 0.00 1CDR8328
+ATOM 8106 CG2 VAL 35 3.984 9.550 -4.052 1.00 0.00 1CDR8329
+ATOM 8107 H VAL 35 2.449 10.595 -2.325 1.00 0.00 1CDR8330
+ATOM 8108 HA VAL 35 1.306 8.709 -4.156 1.00 0.00 1CDR8331
+ATOM 8109 HB VAL 35 3.708 8.240 -2.369 1.00 0.00 1CDR8332
+ATOM 8110 1HG1 VAL 35 2.906 7.251 -5.124 1.00 0.00 1CDR8333
+ATOM 8111 2HG1 VAL 35 4.462 6.927 -4.358 1.00 0.00 1CDR8334
+ATOM 8112 3HG1 VAL 35 2.978 6.291 -3.646 1.00 0.00 1CDR8335
+ATOM 8113 1HG2 VAL 35 3.262 10.299 -4.338 1.00 0.00 1CDR8336
+ATOM 8114 2HG2 VAL 35 4.710 9.989 -3.381 1.00 0.00 1CDR8337
+ATOM 8115 3HG2 VAL 35 4.486 9.178 -4.932 1.00 0.00 1CDR8338
+ATOM 8116 N TYR 36 0.848 6.540 -2.748 1.00 0.00 1CDR8339
+ATOM 8117 CA TYR 36 0.199 5.513 -1.886 1.00 0.00 1CDR8340
+ATOM 8118 C TYR 36 0.667 4.119 -2.305 1.00 0.00 1CDR8341
+ATOM 8119 O TYR 36 0.036 3.453 -3.101 1.00 0.00 1CDR8342
+ATOM 8120 CB TYR 36 -1.319 5.608 -2.033 1.00 0.00 1CDR8343
+ATOM 8121 CG TYR 36 -1.825 6.804 -1.266 1.00 0.00 1CDR8344
+ATOM 8122 CD1 TYR 36 -1.991 6.724 0.123 1.00 0.00 1CDR8345
+ATOM 8123 CD2 TYR 36 -2.125 7.992 -1.940 1.00 0.00 1CDR8346
+ATOM 8124 CE1 TYR 36 -2.459 7.835 0.835 1.00 0.00 1CDR8347
+ATOM 8125 CE2 TYR 36 -2.594 9.102 -1.228 1.00 0.00 1CDR8348
+ATOM 8126 CZ TYR 36 -2.760 9.024 0.160 1.00 0.00 1CDR8349
+ATOM 8127 OH TYR 36 -3.222 10.119 0.862 1.00 0.00 1CDR8350
+ATOM 8128 H TYR 36 1.066 6.334 -3.680 1.00 0.00 1CDR8351
+ATOM 8129 HA TYR 36 0.472 5.686 -0.855 1.00 0.00 1CDR8352
+ATOM 8130 1HB TYR 36 -1.574 5.716 -3.078 1.00 0.00 1CDR8353
+ATOM 8131 2HB TYR 36 -1.777 4.711 -1.643 1.00 0.00 1CDR8354
+ATOM 8132 HD1 TYR 36 -1.758 5.807 0.643 1.00 0.00 1CDR8355
+ATOM 8133 HD2 TYR 36 -1.996 8.052 -3.011 1.00 0.00 1CDR8356
+ATOM 8134 HE1 TYR 36 -2.588 7.774 1.905 1.00 0.00 1CDR8357
+ATOM 8135 HE2 TYR 36 -2.827 10.019 -1.749 1.00 0.00 1CDR8358
+ATOM 8136 HH TYR 36 -4.182 10.121 0.810 1.00 0.00 1CDR8359
+ATOM 8137 N ASN 37 1.768 3.672 -1.768 1.00 0.00 1CDR8360
+ATOM 8138 CA ASN 37 2.277 2.320 -2.125 1.00 0.00 1CDR8361
+ATOM 8139 C ASN 37 1.601 1.278 -1.233 1.00 0.00 1CDR8362
+ATOM 8140 O ASN 37 1.850 1.210 -0.046 1.00 0.00 1CDR8363
+ATOM 8141 CB ASN 37 3.791 2.272 -1.909 1.00 0.00 1CDR8364
+ATOM 8142 CG ASN 37 4.396 3.640 -2.233 1.00 0.00 1CDR8365
+ATOM 8143 OD1 ASN 37 4.092 4.224 -3.255 1.00 0.00 1CDR8366
+ATOM 8144 ND2 ASN 37 5.245 4.178 -1.401 1.00 0.00 1CDR8367
+ATOM 8145 H ASN 37 2.257 4.227 -1.124 1.00 0.00 1CDR8368
+ATOM 8146 HA ASN 37 2.053 2.110 -3.160 1.00 0.00 1CDR8369
+ATOM 8147 1HB ASN 37 4.000 2.020 -0.879 1.00 0.00 1CDR8370
+ATOM 8148 2HB ASN 37 4.224 1.527 -2.558 1.00 0.00 1CDR8371
+ATOM 8149 1HD2 ASN 37 5.638 5.053 -1.600 1.00 0.00 1CDR8372
+ATOM 8150 2HD2 ASN 37 5.489 3.707 -0.577 1.00 0.00 1CDR8373
+ATOM 8151 N LYS 38 0.743 0.469 -1.789 1.00 0.00 1CDR8374
+ATOM 8152 CA LYS 38 0.051 -0.559 -0.960 1.00 0.00 1CDR8375
+ATOM 8153 C LYS 38 -0.292 -1.775 -1.820 1.00 0.00 1CDR8376
+ATOM 8154 O LYS 38 -0.450 -1.680 -3.021 1.00 0.00 1CDR8377
+ATOM 8155 CB LYS 38 -1.236 0.036 -0.384 1.00 0.00 1CDR8378
+ATOM 8156 CG LYS 38 -1.350 -0.328 1.097 1.00 0.00 1CDR8379
+ATOM 8157 CD LYS 38 -2.604 0.322 1.686 1.00 0.00 1CDR8380
+ATOM 8158 CE LYS 38 -2.230 1.652 2.342 1.00 0.00 1CDR8381
+ATOM 8159 NZ LYS 38 -2.139 1.469 3.820 1.00 0.00 1CDR8382
+ATOM 8160 H LYS 38 0.548 0.540 -2.746 1.00 0.00 1CDR8383
+ATOM 8161 HA LYS 38 0.698 -0.864 -0.151 1.00 0.00 1CDR8384
+ATOM 8162 1HB LYS 38 -1.215 1.111 -0.492 1.00 0.00 1CDR8385
+ATOM 8163 2HB LYS 38 -2.087 -0.362 -0.917 1.00 0.00 1CDR8386
+ATOM 8164 1HG LYS 38 -1.417 -1.401 1.200 1.00 0.00 1CDR8387
+ATOM 8165 2HG LYS 38 -0.479 0.032 1.625 1.00 0.00 1CDR8388
+ATOM 8166 1HD LYS 38 -3.322 0.497 0.898 1.00 0.00 1CDR8389
+ATOM 8167 2HD LYS 38 -3.035 -0.334 2.428 1.00 0.00 1CDR8390
+ATOM 8168 1HE LYS 38 -1.277 1.988 1.962 1.00 0.00 1CDR8391
+ATOM 8169 2HE LYS 38 -2.987 2.390 2.118 1.00 0.00 1CDR8392
+ATOM 8170 1HZ LYS 38 -2.506 0.532 4.077 1.00 0.00 1CDR8393
+ATOM 8171 2HZ LYS 38 -1.145 1.548 4.117 1.00 0.00 1CDR8394
+ATOM 8172 3HZ LYS 38 -2.701 2.203 4.295 1.00 0.00 1CDR8395
+ATOM 8173 N CYS 39 -0.417 -2.919 -1.206 1.00 0.00 1CDR8396
+ATOM 8174 CA CYS 39 -0.762 -4.150 -1.973 1.00 0.00 1CDR8397
+ATOM 8175 C CYS 39 -2.219 -4.054 -2.419 1.00 0.00 1CDR8398
+ATOM 8176 O CYS 39 -3.085 -3.689 -1.650 1.00 0.00 1CDR8399
+ATOM 8177 CB CYS 39 -0.581 -5.379 -1.081 1.00 0.00 1CDR8400
+ATOM 8178 SG CYS 39 1.185 -5.674 -0.811 1.00 0.00 1CDR8401
+ATOM 8179 H CYS 39 -0.294 -2.965 -0.237 1.00 0.00 1CDR8402
+ATOM 8180 HA CYS 39 -0.121 -4.230 -2.839 1.00 0.00 1CDR8403
+ATOM 8181 1HB CYS 39 -1.067 -5.209 -0.132 1.00 0.00 1CDR8404
+ATOM 8182 2HB CYS 39 -1.020 -6.241 -1.561 1.00 0.00 1CDR8405
+ATOM 8183 N TRP 40 -2.501 -4.348 -3.657 1.00 0.00 1CDR8406
+ATOM 8184 CA TRP 40 -3.902 -4.237 -4.131 1.00 0.00 1CDR8407
+ATOM 8185 C TRP 40 -4.212 -5.359 -5.126 1.00 0.00 1CDR8408
+ATOM 8186 O TRP 40 -3.324 -5.996 -5.655 1.00 0.00 1CDR8409
+ATOM 8187 CB TRP 40 -4.054 -2.880 -4.807 1.00 0.00 1CDR8410
+ATOM 8188 CG TRP 40 -5.432 -2.361 -4.603 1.00 0.00 1CDR8411
+ATOM 8189 CD1 TRP 40 -6.514 -2.771 -5.290 1.00 0.00 1CDR8412
+ATOM 8190 CD2 TRP 40 -5.893 -1.343 -3.669 1.00 0.00 1CDR8413
+ATOM 8191 NE1 TRP 40 -7.618 -2.068 -4.842 1.00 0.00 1CDR8414
+ATOM 8192 CE2 TRP 40 -7.286 -1.177 -3.840 1.00 0.00 1CDR8415
+ATOM 8193 CE3 TRP 40 -5.244 -0.558 -2.700 1.00 0.00 1CDR8416
+ATOM 8194 CZ2 TRP 40 -8.012 -0.260 -3.076 1.00 0.00 1CDR8417
+ATOM 8195 CZ3 TRP 40 -5.970 0.364 -1.929 1.00 0.00 1CDR8418
+ATOM 8196 CH2 TRP 40 -7.351 0.512 -2.117 1.00 0.00 1CDR8419
+ATOM 8197 H TRP 40 -1.795 -4.620 -4.280 1.00 0.00 1CDR8420
+ATOM 8198 HA TRP 40 -4.576 -4.299 -3.290 1.00 0.00 1CDR8421
+ATOM 8199 1HB TRP 40 -3.348 -2.191 -4.370 1.00 0.00 1CDR8422
+ATOM 8200 2HB TRP 40 -3.857 -2.979 -5.864 1.00 0.00 1CDR8423
+ATOM 8201 HD1 TRP 40 -6.511 -3.523 -6.064 1.00 0.00 1CDR8424
+ATOM 8202 HE1 TRP 40 -8.529 -2.174 -5.179 1.00 0.00 1CDR8425
+ATOM 8203 HE3 TRP 40 -4.180 -0.665 -2.547 1.00 0.00 1CDR8426
+ATOM 8204 HZ2 TRP 40 -9.076 -0.150 -3.225 1.00 0.00 1CDR8427
+ATOM 8205 HZ3 TRP 40 -5.462 0.963 -1.188 1.00 0.00 1CDR8428
+ATOM 8206 HH2 TRP 40 -7.904 1.223 -1.522 1.00 0.00 1CDR8429
+ATOM 8207 N LYS 41 -5.468 -5.609 -5.385 1.00 0.00 1CDR8430
+ATOM 8208 CA LYS 41 -5.828 -6.690 -6.346 1.00 0.00 1CDR8431
+ATOM 8209 C LYS 41 -6.223 -6.062 -7.685 1.00 0.00 1CDR8432
+ATOM 8210 O LYS 41 -6.436 -4.871 -7.781 1.00 0.00 1CDR8433
+ATOM 8211 CB LYS 41 -7.001 -7.502 -5.791 1.00 0.00 1CDR8434
+ATOM 8212 CG LYS 41 -6.559 -8.951 -5.576 1.00 0.00 1CDR8435
+ATOM 8213 CD LYS 41 -7.351 -9.563 -4.419 1.00 0.00 1CDR8436
+ATOM 8214 CE LYS 41 -7.246 -11.088 -4.479 1.00 0.00 1CDR8437
+ATOM 8215 NZ LYS 41 -8.383 -11.635 -5.272 1.00 0.00 1CDR8438
+ATOM 8216 H LYS 41 -6.171 -5.086 -4.947 1.00 0.00 1CDR8439
+ATOM 8217 HA LYS 41 -4.977 -7.339 -6.492 1.00 0.00 1CDR8440
+ATOM 8218 1HB LYS 41 -7.318 -7.076 -4.850 1.00 0.00 1CDR8441
+ATOM 8219 2HB LYS 41 -7.820 -7.478 -6.493 1.00 0.00 1CDR8442
+ATOM 8220 1HG LYS 41 -6.738 -9.520 -6.477 1.00 0.00 1CDR8443
+ATOM 8221 2HG LYS 41 -5.505 -8.976 -5.338 1.00 0.00 1CDR8444
+ATOM 8222 1HD LYS 41 -6.949 -9.210 -3.480 1.00 0.00 1CDR8445
+ATOM 8223 2HD LYS 41 -8.388 -9.272 -4.500 1.00 0.00 1CDR8446
+ATOM 8224 1HE LYS 41 -6.314 -11.366 -4.949 1.00 0.00 1CDR8447
+ATOM 8225 2HE LYS 41 -7.279 -11.491 -3.478 1.00 0.00 1CDR8448
+ATOM 8226 1HZ LYS 41 -9.200 -10.997 -5.192 1.00 0.00 1CDR8449
+ATOM 8227 2HZ LYS 41 -8.102 -11.717 -6.270 1.00 0.00 1CDR8450
+ATOM 8228 3HZ LYS 41 -8.643 -12.573 -4.906 1.00 0.00 1CDR8451
+ATOM 8229 N PHE 42 -6.320 -6.850 -8.721 1.00 0.00 1CDR8452
+ATOM 8230 CA PHE 42 -6.696 -6.290 -10.049 1.00 0.00 1CDR8453
+ATOM 8231 C PHE 42 -8.209 -6.094 -10.112 1.00 0.00 1CDR8454
+ATOM 8232 O PHE 42 -8.706 -5.271 -10.854 1.00 0.00 1CDR8455
+ATOM 8233 CB PHE 42 -6.261 -7.257 -11.152 1.00 0.00 1CDR8456
+ATOM 8234 CG PHE 42 -6.233 -6.531 -12.477 1.00 0.00 1CDR8457
+ATOM 8235 CD1 PHE 42 -5.488 -5.354 -12.613 1.00 0.00 1CDR8458
+ATOM 8236 CD2 PHE 42 -6.950 -7.037 -13.568 1.00 0.00 1CDR8459
+ATOM 8237 CE1 PHE 42 -5.461 -4.681 -13.841 1.00 0.00 1CDR8460
+ATOM 8238 CE2 PHE 42 -6.923 -6.364 -14.795 1.00 0.00 1CDR8461
+ATOM 8239 CZ PHE 42 -6.178 -5.186 -14.932 1.00 0.00 1CDR8462
+ATOM 8240 H PHE 42 -6.147 -7.808 -8.627 1.00 0.00 1CDR8463
+ATOM 8241 HA PHE 42 -6.203 -5.339 -10.191 1.00 0.00 1CDR8464
+ATOM 8242 1HB PHE 42 -5.275 -7.638 -10.928 1.00 0.00 1CDR8465
+ATOM 8243 2HB PHE 42 -6.960 -8.078 -11.207 1.00 0.00 1CDR8466
+ATOM 8244 HD1 PHE 42 -4.934 -4.964 -11.772 1.00 0.00 1CDR8467
+ATOM 8245 HD2 PHE 42 -7.525 -7.945 -13.463 1.00 0.00 1CDR8468
+ATOM 8246 HE1 PHE 42 -4.887 -3.773 -13.946 1.00 0.00 1CDR8469
+ATOM 8247 HE2 PHE 42 -7.476 -6.753 -15.637 1.00 0.00 1CDR8470
+ATOM 8248 HZ PHE 42 -6.157 -4.667 -15.878 1.00 0.00 1CDR8471
+ATOM 8249 N GLU 43 -8.947 -6.844 -9.343 1.00 0.00 1CDR8472
+ATOM 8250 CA GLU 43 -10.427 -6.697 -9.371 1.00 0.00 1CDR8473
+ATOM 8251 C GLU 43 -10.823 -5.391 -8.677 1.00 0.00 1CDR8474
+ATOM 8252 O GLU 43 -11.795 -4.758 -9.037 1.00 0.00 1CDR8475
+ATOM 8253 CB GLU 43 -11.076 -7.881 -8.650 1.00 0.00 1CDR8476
+ATOM 8254 CG GLU 43 -12.518 -8.044 -9.134 1.00 0.00 1CDR8477
+ATOM 8255 CD GLU 43 -12.679 -9.405 -9.813 1.00 0.00 1CDR8478
+ATOM 8256 OE1 GLU 43 -12.534 -10.407 -9.132 1.00 0.00 1CDR8479
+ATOM 8257 OE2 GLU 43 -12.946 -9.424 -11.005 1.00 0.00 1CDR8480
+ATOM 8258 H GLU 43 -8.529 -7.506 -8.753 1.00 0.00 1CDR8481
+ATOM 8259 HA GLU 43 -10.759 -6.672 -10.394 1.00 0.00 1CDR8482
+ATOM 8260 1HB GLU 43 -10.520 -8.781 -8.865 1.00 0.00 1CDR8483
+ATOM 8261 2HB GLU 43 -11.074 -7.701 -7.585 1.00 0.00 1CDR8484
+ATOM 8262 1HG GLU 43 -13.190 -7.981 -8.289 1.00 0.00 1CDR8485
+ATOM 8263 2HG GLU 43 -12.753 -7.262 -9.840 1.00 0.00 1CDR8486
+ATOM 8264 N HIS 44 -10.076 -4.981 -7.691 1.00 0.00 1CDR8487
+ATOM 8265 CA HIS 44 -10.409 -3.715 -6.981 1.00 0.00 1CDR8488
+ATOM 8266 C HIS 44 -9.581 -2.572 -7.569 1.00 0.00 1CDR8489
+ATOM 8267 O HIS 44 -9.423 -1.531 -6.962 1.00 0.00 1CDR8490
+ATOM 8268 CB HIS 44 -10.092 -3.862 -5.492 1.00 0.00 1CDR8491
+ATOM 8269 CG HIS 44 -11.014 -4.874 -4.872 1.00 0.00 1CDR8492
+ATOM 8270 ND1 HIS 44 -11.397 -4.804 -3.541 1.00 0.00 1CDR8493
+ATOM 8271 CD2 HIS 44 -11.636 -5.986 -5.382 1.00 0.00 1CDR8494
+ATOM 8272 CE1 HIS 44 -12.213 -5.845 -3.298 1.00 0.00 1CDR8495
+ATOM 8273 NE2 HIS 44 -12.393 -6.598 -4.387 1.00 0.00 1CDR8496
+ATOM 8274 H HIS 44 -9.294 -5.505 -7.418 1.00 0.00 1CDR8497
+ATOM 8275 HA HIS 44 -11.458 -3.494 -7.106 1.00 0.00 1CDR8498
+ATOM 8276 1HB HIS 44 -9.069 -4.188 -5.374 1.00 0.00 1CDR8499
+ATOM 8277 2HB HIS 44 -10.224 -2.909 -5.002 1.00 0.00 1CDR8500
+ATOM 8278 HD1 HIS 44 -11.122 -4.120 -2.894 1.00 0.00 1CDR8501
+ATOM 8279 HD2 HIS 44 -11.553 -6.333 -6.401 1.00 0.00 1CDR8502
+ATOM 8280 HE1 HIS 44 -12.666 -6.049 -2.339 1.00 0.00 1CDR8503
+ATOM 8281 N CYS 45 -9.051 -2.755 -8.747 1.00 0.00 1CDR8504
+ATOM 8282 CA CYS 45 -8.234 -1.675 -9.366 1.00 0.00 1CDR8505
+ATOM 8283 C CYS 45 -9.059 -0.956 -10.434 1.00 0.00 1CDR8506
+ATOM 8284 O CYS 45 -8.871 -1.155 -11.617 1.00 0.00 1CDR8507
+ATOM 8285 CB CYS 45 -6.983 -2.280 -10.003 1.00 0.00 1CDR8508
+ATOM 8286 SG CYS 45 -5.683 -2.429 -8.752 1.00 0.00 1CDR8509
+ATOM 8287 H CYS 45 -9.191 -3.603 -9.223 1.00 0.00 1CDR8510
+ATOM 8288 HA CYS 45 -7.940 -0.967 -8.604 1.00 0.00 1CDR8511
+ATOM 8289 1HB CYS 45 -7.216 -3.257 -10.398 1.00 0.00 1CDR8512
+ATOM 8290 2HB CYS 45 -6.642 -1.640 -10.803 1.00 0.00 1CDR8513
+ATOM 8291 N ASN 46 -9.971 -0.117 -10.023 1.00 0.00 1CDR8514
+ATOM 8292 CA ASN 46 -10.808 0.621 -11.011 1.00 0.00 1CDR8515
+ATOM 8293 C ASN 46 -10.939 2.079 -10.569 1.00 0.00 1CDR8516
+ATOM 8294 O ASN 46 -10.241 2.532 -9.683 1.00 0.00 1CDR8517
+ATOM 8295 CB ASN 46 -12.197 -0.016 -11.083 1.00 0.00 1CDR8518
+ATOM 8296 CG ASN 46 -12.063 -1.538 -11.028 1.00 0.00 1CDR8519
+ATOM 8297 OD1 ASN 46 -11.266 -2.116 -11.739 1.00 0.00 1CDR8520
+ATOM 8298 ND2 ASN 46 -12.814 -2.218 -10.205 1.00 0.00 1CDR8521
+ATOM 8299 H ASN 46 -10.104 0.030 -9.064 1.00 0.00 1CDR8522
+ATOM 8300 HA ASN 46 -10.340 0.580 -11.983 1.00 0.00 1CDR8523
+ATOM 8301 1HB ASN 46 -12.793 0.325 -10.250 1.00 0.00 1CDR8524
+ATOM 8302 2HB ASN 46 -12.675 0.267 -12.009 1.00 0.00 1CDR8525
+ATOM 8303 1HD2 ASN 46 -12.736 -3.193 -10.162 1.00 0.00 1CDR8526
+ATOM 8304 2HD2 ASN 46 -13.456 -1.752 -9.630 1.00 0.00 1CDR8527
+ATOM 8305 N PHE 47 -11.824 2.820 -11.175 1.00 0.00 1CDR8528
+ATOM 8306 CA PHE 47 -11.993 4.246 -10.781 1.00 0.00 1CDR8529
+ATOM 8307 C PHE 47 -13.089 4.357 -9.721 1.00 0.00 1CDR8530
+ATOM 8308 O PHE 47 -13.979 5.179 -9.816 1.00 0.00 1CDR8531
+ATOM 8309 CB PHE 47 -12.375 5.078 -12.005 1.00 0.00 1CDR8532
+ATOM 8310 CG PHE 47 -11.357 6.174 -12.192 1.00 0.00 1CDR8533
+ATOM 8311 CD1 PHE 47 -10.993 6.979 -11.106 1.00 0.00 1CDR8534
+ATOM 8312 CD2 PHE 47 -10.774 6.386 -13.447 1.00 0.00 1CDR8535
+ATOM 8313 CE1 PHE 47 -10.046 7.995 -11.274 1.00 0.00 1CDR8536
+ATOM 8314 CE2 PHE 47 -9.827 7.400 -13.615 1.00 0.00 1CDR8537
+ATOM 8315 CZ PHE 47 -9.462 8.207 -12.530 1.00 0.00 1CDR8538
+ATOM 8316 H PHE 47 -12.379 2.438 -11.888 1.00 0.00 1CDR8539
+ATOM 8317 HA PHE 47 -11.064 4.615 -10.372 1.00 0.00 1CDR8540
+ATOM 8318 1HB PHE 47 -12.390 4.445 -12.881 1.00 0.00 1CDR8541
+ATOM 8319 2HB PHE 47 -13.351 5.513 -11.855 1.00 0.00 1CDR8542
+ATOM 8320 HD1 PHE 47 -11.443 6.815 -10.138 1.00 0.00 1CDR8543
+ATOM 8321 HD2 PHE 47 -11.055 5.764 -14.285 1.00 0.00 1CDR8544
+ATOM 8322 HE1 PHE 47 -9.765 8.615 -10.436 1.00 0.00 1CDR8545
+ATOM 8323 HE2 PHE 47 -9.376 7.562 -14.583 1.00 0.00 1CDR8546
+ATOM 8324 HZ PHE 47 -8.730 8.990 -12.660 1.00 0.00 1CDR8547
+ATOM 8325 N ASN 48 -13.029 3.534 -8.712 1.00 0.00 1CDR8548
+ATOM 8326 CA ASN 48 -14.062 3.587 -7.641 1.00 0.00 1CDR8549
+ATOM 8327 C ASN 48 -13.676 2.619 -6.520 1.00 0.00 1CDR8550
+ATOM 8328 O ASN 48 -13.840 2.912 -5.352 1.00 0.00 1CDR8551
+ATOM 8329 CB ASN 48 -15.422 3.191 -8.220 1.00 0.00 1CDR8552
+ATOM 8330 CG ASN 48 -16.524 3.997 -7.529 1.00 0.00 1CDR8553
+ATOM 8331 OD1 ASN 48 -16.518 5.212 -7.564 1.00 0.00 1CDR8554
+ATOM 8332 ND2 ASN 48 -17.479 3.368 -6.900 1.00 0.00 1CDR8555
+ATOM 8333 H ASN 48 -12.299 2.882 -8.657 1.00 0.00 1CDR8556
+ATOM 8334 HA ASN 48 -14.117 4.590 -7.245 1.00 0.00 1CDR8557
+ATOM 8335 1HB ASN 48 -15.435 3.397 -9.281 1.00 0.00 1CDR8558
+ATOM 8336 2HB ASN 48 -15.591 2.138 -8.055 1.00 0.00 1CDR8559
+ATOM 8337 1HD2 ASN 48 -18.191 3.875 -6.455 1.00 0.00 1CDR8560
+ATOM 8338 2HD2 ASN 48 -17.485 2.389 -6.873 1.00 0.00 1CDR8561
+ATOM 8339 N ASP 49 -13.160 1.468 -6.863 1.00 0.00 1CDR8562
+ATOM 8340 CA ASP 49 -12.762 0.491 -5.813 1.00 0.00 1CDR8563
+ATOM 8341 C ASP 49 -11.511 1.002 -5.094 1.00 0.00 1CDR8564
+ATOM 8342 O ASP 49 -11.115 0.482 -4.070 1.00 0.00 1CDR8565
+ATOM 8343 CB ASP 49 -12.462 -0.863 -6.463 1.00 0.00 1CDR8566
+ATOM 8344 CG ASP 49 -13.776 -1.576 -6.784 1.00 0.00 1CDR8567
+ATOM 8345 OD1 ASP 49 -14.564 -1.019 -7.530 1.00 0.00 1CDR8568
+ATOM 8346 OD2 ASP 49 -13.973 -2.668 -6.276 1.00 0.00 1CDR8569
+ATOM 8347 H ASP 49 -13.030 1.248 -7.810 1.00 0.00 1CDR8570
+ATOM 8348 HA ASP 49 -13.567 0.379 -5.101 1.00 0.00 1CDR8571
+ATOM 8349 1HB ASP 49 -11.904 -0.707 -7.375 1.00 0.00 1CDR8572
+ATOM 8350 2HB ASP 49 -11.882 -1.469 -5.784 1.00 0.00 1CDR8573
+ATOM 8351 N VAL 50 -10.886 2.019 -5.624 1.00 0.00 1CDR8574
+ATOM 8352 CA VAL 50 -9.662 2.565 -4.971 1.00 0.00 1CDR8575
+ATOM 8353 C VAL 50 -9.928 4.001 -4.512 1.00 0.00 1CDR8576
+ATOM 8354 O VAL 50 -9.442 4.434 -3.486 1.00 0.00 1CDR8577
+ATOM 8355 CB VAL 50 -8.505 2.556 -5.970 1.00 0.00 1CDR8578
+ATOM 8356 CG1 VAL 50 -7.293 3.253 -5.352 1.00 0.00 1CDR8579
+ATOM 8357 CG2 VAL 50 -8.139 1.111 -6.312 1.00 0.00 1CDR8580
+ATOM 8358 H VAL 50 -11.223 2.424 -6.450 1.00 0.00 1CDR8581
+ATOM 8359 HA VAL 50 -9.408 1.955 -4.118 1.00 0.00 1CDR8582
+ATOM 8360 HB VAL 50 -8.800 3.078 -6.869 1.00 0.00 1CDR8583
+ATOM 8361 1HG1 VAL 50 -7.265 3.055 -4.291 1.00 0.00 1CDR8584
+ATOM 8362 2HG1 VAL 50 -6.389 2.879 -5.811 1.00 0.00 1CDR8585
+ATOM 8363 3HG1 VAL 50 -7.365 4.318 -5.517 1.00 0.00 1CDR8586
+ATOM 8364 1HG2 VAL 50 -8.666 0.440 -5.649 1.00 0.00 1CDR8587
+ATOM 8365 2HG2 VAL 50 -8.417 0.901 -7.334 1.00 0.00 1CDR8588
+ATOM 8366 3HG2 VAL 50 -7.075 0.971 -6.193 1.00 0.00 1CDR8589
+ATOM 8367 N THR 51 -10.694 4.744 -5.264 1.00 0.00 1CDR8590
+ATOM 8368 CA THR 51 -10.988 6.150 -4.868 1.00 0.00 1CDR8591
+ATOM 8369 C THR 51 -11.860 6.153 -3.612 1.00 0.00 1CDR8592
+ATOM 8370 O THR 51 -11.830 7.078 -2.826 1.00 0.00 1CDR8593
+ATOM 8371 CB THR 51 -11.731 6.857 -6.005 1.00 0.00 1CDR8594
+ATOM 8372 OG1 THR 51 -12.322 5.886 -6.857 1.00 0.00 1CDR8595
+ATOM 8373 CG2 THR 51 -10.748 7.712 -6.806 1.00 0.00 1CDR8596
+ATOM 8374 H THR 51 -11.078 4.376 -6.087 1.00 0.00 1CDR8597
+ATOM 8375 HA THR 51 -10.063 6.668 -4.666 1.00 0.00 1CDR8598
+ATOM 8376 HB THR 51 -12.500 7.491 -5.592 1.00 0.00 1CDR8599
+ATOM 8377 HG1 THR 51 -12.950 6.335 -7.428 1.00 0.00 1CDR8600
+ATOM 8378 1HG2 THR 51 -10.144 8.297 -6.129 1.00 0.00 1CDR8601
+ATOM 8379 2HG2 THR 51 -10.110 7.070 -7.396 1.00 0.00 1CDR8602
+ATOM 8380 3HG2 THR 51 -11.298 8.373 -7.461 1.00 0.00 1CDR8603
+ATOM 8381 N THR 52 -12.639 5.125 -3.418 1.00 0.00 1CDR8604
+ATOM 8382 CA THR 52 -13.514 5.067 -2.217 1.00 0.00 1CDR8605
+ATOM 8383 C THR 52 -12.812 4.275 -1.112 1.00 0.00 1CDR8606
+ATOM 8384 O THR 52 -13.072 4.463 0.060 1.00 0.00 1CDR8607
+ATOM 8385 CB THR 52 -14.826 4.373 -2.584 1.00 0.00 1CDR8608
+ATOM 8386 OG1 THR 52 -15.050 4.496 -3.982 1.00 0.00 1CDR8609
+ATOM 8387 CG2 THR 52 -15.983 5.019 -1.821 1.00 0.00 1CDR8610
+ATOM 8388 H THR 52 -12.651 4.388 -4.065 1.00 0.00 1CDR8611
+ATOM 8389 HA THR 52 -13.720 6.070 -1.870 1.00 0.00 1CDR8612
+ATOM 8390 HB THR 52 -14.763 3.331 -2.320 1.00 0.00 1CDR8613
+ATOM 8391 HG1 THR 52 -15.844 4.002 -4.199 1.00 0.00 1CDR8614
+ATOM 8392 1HG2 THR 52 -15.656 5.286 -0.828 1.00 0.00 1CDR8615
+ATOM 8393 2HG2 THR 52 -16.308 5.907 -2.344 1.00 0.00 1CDR8616
+ATOM 8394 3HG2 THR 52 -16.804 4.321 -1.755 1.00 0.00 1CDR8617
+ATOM 8395 N ARG 53 -11.923 3.389 -1.474 1.00 0.00 1CDR8618
+ATOM 8396 CA ARG 53 -11.207 2.589 -0.442 1.00 0.00 1CDR8619
+ATOM 8397 C ARG 53 -10.287 3.509 0.359 1.00 0.00 1CDR8620
+ATOM 8398 O ARG 53 -10.216 3.434 1.569 1.00 0.00 1CDR8621
+ATOM 8399 CB ARG 53 -10.374 1.503 -1.126 1.00 0.00 1CDR8622
+ATOM 8400 CG ARG 53 -11.199 0.220 -1.241 1.00 0.00 1CDR8623
+ATOM 8401 CD ARG 53 -10.945 -0.663 -0.018 1.00 0.00 1CDR8624
+ATOM 8402 NE ARG 53 -11.475 -2.030 -0.275 1.00 0.00 1CDR8625
+ATOM 8403 CZ ARG 53 -12.317 -2.570 0.563 1.00 0.00 1CDR8626
+ATOM 8404 NH1 ARG 53 -13.508 -2.914 0.159 1.00 0.00 1CDR8627
+ATOM 8405 NH2 ARG 53 -11.969 -2.764 1.805 1.00 0.00 1CDR8628
+ATOM 8406 H ARG 53 -11.724 3.253 -2.424 1.00 0.00 1CDR8629
+ATOM 8407 HA ARG 53 -11.926 2.128 0.221 1.00 0.00 1CDR8630
+ATOM 8408 1HB ARG 53 -10.086 1.837 -2.111 1.00 0.00 1CDR8631
+ATOM 8409 2HB ARG 53 -9.489 1.307 -0.539 1.00 0.00 1CDR8632
+ATOM 8410 1HG ARG 53 -12.249 0.471 -1.292 1.00 0.00 1CDR8633
+ATOM 8411 2HG ARG 53 -10.913 -0.314 -2.133 1.00 0.00 1CDR8634
+ATOM 8412 1HD ARG 53 -9.883 -0.717 0.172 1.00 0.00 1CDR8635
+ATOM 8413 2HD ARG 53 -11.442 -0.238 0.841 1.00 0.00 1CDR8636
+ATOM 8414 HE ARG 53 -11.193 -2.524 -1.073 1.00 0.00 1CDR8637
+ATOM 8415 1HH1 ARG 53 -13.775 -2.765 -0.793 1.00 0.00 1CDR8638
+ATOM 8416 2HH1 ARG 53 -14.154 -3.327 0.800 1.00 0.00 1CDR8639
+ATOM 8417 1HH2 ARG 53 -11.056 -2.499 2.116 1.00 0.00 1CDR8640
+ATOM 8418 2HH2 ARG 53 -12.615 -3.178 2.447 1.00 0.00 1CDR8641
+ATOM 8419 N LEU 54 -9.581 4.378 -0.310 1.00 0.00 1CDR8642
+ATOM 8420 CA LEU 54 -8.667 5.306 0.407 1.00 0.00 1CDR8643
+ATOM 8421 C LEU 54 -9.459 6.508 0.924 1.00 0.00 1CDR8644
+ATOM 8422 O LEU 54 -8.916 7.399 1.547 1.00 0.00 1CDR8645
+ATOM 8423 CB LEU 54 -7.581 5.784 -0.557 1.00 0.00 1CDR8646
+ATOM 8424 CG LEU 54 -6.975 4.580 -1.279 1.00 0.00 1CDR8647
+ATOM 8425 CD1 LEU 54 -6.392 5.030 -2.619 1.00 0.00 1CDR8648
+ATOM 8426 CD2 LEU 54 -5.865 3.977 -0.418 1.00 0.00 1CDR8649
+ATOM 8427 H LEU 54 -9.655 4.423 -1.286 1.00 0.00 1CDR8650
+ATOM 8428 HA LEU 54 -8.210 4.790 1.237 1.00 0.00 1CDR8651
+ATOM 8429 1HB LEU 54 -8.014 6.459 -1.281 1.00 0.00 1CDR8652
+ATOM 8430 2HB LEU 54 -6.809 6.295 -0.004 1.00 0.00 1CDR8653
+ATOM 8431 HG LEU 54 -7.743 3.840 -1.451 1.00 0.00 1CDR8654
+ATOM 8432 1HD1 LEU 54 -5.780 5.907 -2.469 1.00 0.00 1CDR8655
+ATOM 8433 2HD1 LEU 54 -5.789 4.236 -3.034 1.00 0.00 1CDR8656
+ATOM 8434 3HD1 LEU 54 -7.197 5.264 -3.300 1.00 0.00 1CDR8657
+ATOM 8435 1HD2 LEU 54 -5.509 4.719 0.281 1.00 0.00 1CDR8658
+ATOM 8436 2HD2 LEU 54 -6.252 3.128 0.125 1.00 0.00 1CDR8659
+ATOM 8437 3HD2 LEU 54 -5.051 3.659 -1.052 1.00 0.00 1CDR8660
+ATOM 8438 N ARG 55 -10.741 6.542 0.671 1.00 0.00 1CDR8661
+ATOM 8439 CA ARG 55 -11.564 7.684 1.150 1.00 0.00 1CDR8662
+ATOM 8440 C ARG 55 -11.125 8.968 0.441 1.00 0.00 1CDR8663
+ATOM 8441 O ARG 55 -11.128 10.037 1.015 1.00 0.00 1CDR8664
+ATOM 8442 CB ARG 55 -11.381 7.847 2.662 1.00 0.00 1CDR8665
+ATOM 8443 CG ARG 55 -12.562 7.204 3.392 1.00 0.00 1CDR8666
+ATOM 8444 CD ARG 55 -12.565 7.651 4.856 1.00 0.00 1CDR8667
+ATOM 8445 NE ARG 55 -11.215 7.423 5.447 1.00 0.00 1CDR8668
+ATOM 8446 CZ ARG 55 -10.875 8.027 6.554 1.00 0.00 1CDR8669
+ATOM 8447 NH1 ARG 55 -11.520 7.776 7.661 1.00 0.00 1CDR8670
+ATOM 8448 NH2 ARG 55 -9.889 8.882 6.553 1.00 0.00 1CDR8671
+ATOM 8449 H ARG 55 -11.164 5.814 0.168 1.00 0.00 1CDR8672
+ATOM 8450 HA ARG 55 -12.603 7.490 0.933 1.00 0.00 1CDR8673
+ATOM 8451 1HB ARG 55 -10.463 7.363 2.966 1.00 0.00 1CDR8674
+ATOM 8452 2HB ARG 55 -11.335 8.896 2.908 1.00 0.00 1CDR8675
+ATOM 8453 1HG ARG 55 -13.485 7.510 2.920 1.00 0.00 1CDR8676
+ATOM 8454 2HG ARG 55 -12.473 6.130 3.345 1.00 0.00 1CDR8677
+ATOM 8455 1HD ARG 55 -12.809 8.701 4.912 1.00 0.00 1CDR8678
+ATOM 8456 2HD ARG 55 -13.299 7.080 5.405 1.00 0.00 1CDR8679
+ATOM 8457 HE ARG 55 -10.583 6.820 5.005 1.00 0.00 1CDR8680
+ATOM 8458 1HH1 ARG 55 -12.275 7.120 7.662 1.00 0.00 1CDR8681
+ATOM 8459 2HH1 ARG 55 -11.259 8.241 8.507 1.00 0.00 1CDR8682
+ATOM 8460 1HH2 ARG 55 -9.395 9.073 5.705 1.00 0.00 1CDR8683
+ATOM 8461 2HH2 ARG 55 -9.628 9.345 7.399 1.00 0.00 1CDR8684
+ATOM 8462 N GLU 56 -10.749 8.870 -0.805 1.00 0.00 1CDR8685
+ATOM 8463 CA GLU 56 -10.313 10.086 -1.547 1.00 0.00 1CDR8686
+ATOM 8464 C GLU 56 -11.105 10.200 -2.851 1.00 0.00 1CDR8687
+ATOM 8465 O GLU 56 -12.146 9.593 -3.011 1.00 0.00 1CDR8688
+ATOM 8466 CB GLU 56 -8.819 9.985 -1.863 1.00 0.00 1CDR8689
+ATOM 8467 CG GLU 56 -8.081 11.163 -1.223 1.00 0.00 1CDR8690
+ATOM 8468 CD GLU 56 -6.781 10.668 -0.587 1.00 0.00 1CDR8691
+ATOM 8469 OE1 GLU 56 -5.975 10.094 -1.302 1.00 0.00 1CDR8692
+ATOM 8470 OE2 GLU 56 -6.613 10.869 0.604 1.00 0.00 1CDR8693
+ATOM 8471 H GLU 56 -10.755 7.998 -1.252 1.00 0.00 1CDR8694
+ATOM 8472 HA GLU 56 -10.494 10.961 -0.940 1.00 0.00 1CDR8695
+ATOM 8473 1HB GLU 56 -8.430 9.057 -1.468 1.00 0.00 1CDR8696
+ATOM 8474 2HB GLU 56 -8.675 10.012 -2.932 1.00 0.00 1CDR8697
+ATOM 8475 1HG GLU 56 -7.856 11.900 -1.979 1.00 0.00 1CDR8698
+ATOM 8476 2HG GLU 56 -8.705 11.607 -0.461 1.00 0.00 1CDR8699
+ATOM 8477 N ASN 57 -10.625 10.975 -3.784 1.00 0.00 1CDR8700
+ATOM 8478 CA ASN 57 -11.355 11.127 -5.073 1.00 0.00 1CDR8701
+ATOM 8479 C ASN 57 -10.364 11.479 -6.186 1.00 0.00 1CDR8702
+ATOM 8480 O ASN 57 -10.246 10.777 -7.171 1.00 0.00 1CDR8703
+ATOM 8481 CB ASN 57 -12.393 12.244 -4.939 1.00 0.00 1CDR8704
+ATOM 8482 CG ASN 57 -13.569 11.748 -4.097 1.00 0.00 1CDR8705
+ATOM 8483 OD1 ASN 57 -14.028 12.437 -3.207 1.00 0.00 1CDR8706
+ATOM 8484 ND2 ASN 57 -14.080 10.572 -4.341 1.00 0.00 1CDR8707
+ATOM 8485 H ASN 57 -9.786 11.459 -3.635 1.00 0.00 1CDR8708
+ATOM 8486 HA ASN 57 -11.854 10.200 -5.316 1.00 0.00 1CDR8709
+ATOM 8487 1HB ASN 57 -11.940 13.100 -4.459 1.00 0.00 1CDR8710
+ATOM 8488 2HB ASN 57 -12.748 12.525 -5.919 1.00 0.00 1CDR8711
+ATOM 8489 1HD2 ASN 57 -14.832 10.244 -3.807 1.00 0.00 1CDR8712
+ATOM 8490 2HD2 ASN 57 -13.709 10.016 -5.058 1.00 0.00 1CDR8713
+ATOM 8491 N GLU 58 -9.652 12.563 -6.039 1.00 0.00 1CDR8714
+ATOM 8492 CA GLU 58 -8.671 12.961 -7.089 1.00 0.00 1CDR8715
+ATOM 8493 C GLU 58 -7.368 12.183 -6.897 1.00 0.00 1CDR8716
+ATOM 8494 O GLU 58 -6.621 12.424 -5.969 1.00 0.00 1CDR8717
+ATOM 8495 CB GLU 58 -8.390 14.461 -6.978 1.00 0.00 1CDR8718
+ATOM 8496 CG GLU 58 -9.671 15.244 -7.269 1.00 0.00 1CDR8719
+ATOM 8497 CD GLU 58 -9.339 16.463 -8.133 1.00 0.00 1CDR8720
+ATOM 8498 OE1 GLU 58 -8.462 16.348 -8.972 1.00 0.00 1CDR8721
+ATOM 8499 OE2 GLU 58 -9.968 17.490 -7.940 1.00 0.00 1CDR8722
+ATOM 8500 H GLU 58 -9.762 13.117 -5.238 1.00 0.00 1CDR8723
+ATOM 8501 HA GLU 58 -9.081 12.743 -8.064 1.00 0.00 1CDR8724
+ATOM 8502 1HB GLU 58 -8.046 14.689 -5.979 1.00 0.00 1CDR8725
+ATOM 8503 2HB GLU 58 -7.630 14.739 -7.693 1.00 0.00 1CDR8726
+ATOM 8504 1HG GLU 58 -10.370 14.609 -7.794 1.00 0.00 1CDR8727
+ATOM 8505 2HG GLU 58 -10.111 15.573 -6.340 1.00 0.00 1CDR8728
+ATOM 8506 N LEU 59 -7.084 11.251 -7.769 1.00 0.00 1CDR8729
+ATOM 8507 CA LEU 59 -5.826 10.464 -7.632 1.00 0.00 1CDR8730
+ATOM 8508 C LEU 59 -5.676 9.520 -8.827 1.00 0.00 1CDR8731
+ATOM 8509 O LEU 59 -6.646 9.084 -9.415 1.00 0.00 1CDR8732
+ATOM 8510 CB LEU 59 -5.874 9.642 -6.343 1.00 0.00 1CDR8733
+ATOM 8511 CG LEU 59 -7.221 8.926 -6.244 1.00 0.00 1CDR8734
+ATOM 8512 CD1 LEU 59 -7.146 7.591 -6.987 1.00 0.00 1CDR8735
+ATOM 8513 CD2 LEU 59 -7.556 8.668 -4.773 1.00 0.00 1CDR8736
+ATOM 8514 H LEU 59 -7.697 11.072 -8.512 1.00 0.00 1CDR8737
+ATOM 8515 HA LEU 59 -4.982 11.137 -7.597 1.00 0.00 1CDR8738
+ATOM 8516 1HB LEU 59 -5.077 8.912 -6.352 1.00 0.00 1CDR8739
+ATOM 8517 2HB LEU 59 -5.753 10.297 -5.493 1.00 0.00 1CDR8740
+ATOM 8518 HG LEU 59 -7.990 9.543 -6.688 1.00 0.00 1CDR8741
+ATOM 8519 1HD1 LEU 59 -6.161 7.471 -7.413 1.00 0.00 1CDR8742
+ATOM 8520 2HD1 LEU 59 -7.341 6.783 -6.298 1.00 0.00 1CDR8743
+ATOM 8521 3HD1 LEU 59 -7.883 7.577 -7.777 1.00 0.00 1CDR8744
+ATOM 8522 1HD2 LEU 59 -6.854 9.200 -4.146 1.00 0.00 1CDR8745
+ATOM 8523 2HD2 LEU 59 -8.558 9.014 -4.566 1.00 0.00 1CDR8746
+ATOM 8524 3HD2 LEU 59 -7.491 7.610 -4.569 1.00 0.00 1CDR8747
+ATOM 8525 N THR 60 -4.463 9.198 -9.187 1.00 0.00 1CDR8748
+ATOM 8526 CA THR 60 -4.244 8.279 -10.340 1.00 0.00 1CDR8749
+ATOM 8527 C THR 60 -3.718 6.938 -9.825 1.00 0.00 1CDR8750
+ATOM 8528 O THR 60 -2.539 6.774 -9.579 1.00 0.00 1CDR8751
+ATOM 8529 CB THR 60 -3.218 8.895 -11.293 1.00 0.00 1CDR8752
+ATOM 8530 OG1 THR 60 -2.998 8.011 -12.382 1.00 0.00 1CDR8753
+ATOM 8531 CG2 THR 60 -1.904 9.130 -10.547 1.00 0.00 1CDR8754
+ATOM 8532 H THR 60 -3.695 9.558 -8.697 1.00 0.00 1CDR8755
+ATOM 8533 HA THR 60 -5.176 8.125 -10.863 1.00 0.00 1CDR8756
+ATOM 8534 HB THR 60 -3.591 9.838 -11.663 1.00 0.00 1CDR8757
+ATOM 8535 HG1 THR 60 -3.854 7.704 -12.692 1.00 0.00 1CDR8758
+ATOM 8536 1HG2 THR 60 -2.064 8.996 -9.486 1.00 0.00 1CDR8759
+ATOM 8537 2HG2 THR 60 -1.163 8.423 -10.891 1.00 0.00 1CDR8760
+ATOM 8538 3HG2 THR 60 -1.558 10.136 -10.733 1.00 0.00 1CDR8761
+ATOM 8539 N TYR 61 -4.584 5.978 -9.653 1.00 0.00 1CDR8762
+ATOM 8540 CA TYR 61 -4.137 4.649 -9.146 1.00 0.00 1CDR8763
+ATOM 8541 C TYR 61 -3.642 3.791 -10.313 1.00 0.00 1CDR8764
+ATOM 8542 O TYR 61 -4.366 3.529 -11.252 1.00 0.00 1CDR8765
+ATOM 8543 CB TYR 61 -5.313 3.946 -8.465 1.00 0.00 1CDR8766
+ATOM 8544 CG TYR 61 -6.319 3.522 -9.509 1.00 0.00 1CDR8767
+ATOM 8545 CD1 TYR 61 -7.256 4.442 -9.995 1.00 0.00 1CDR8768
+ATOM 8546 CD2 TYR 61 -6.312 2.209 -9.992 1.00 0.00 1CDR8769
+ATOM 8547 CE1 TYR 61 -8.186 4.047 -10.965 1.00 0.00 1CDR8770
+ATOM 8548 CE2 TYR 61 -7.241 1.814 -10.962 1.00 0.00 1CDR8771
+ATOM 8549 CZ TYR 61 -8.178 2.732 -11.449 1.00 0.00 1CDR8772
+ATOM 8550 OH TYR 61 -9.094 2.344 -12.405 1.00 0.00 1CDR8773
+ATOM 8551 H TYR 61 -5.531 6.133 -9.853 1.00 0.00 1CDR8774
+ATOM 8552 HA TYR 61 -3.338 4.785 -8.433 1.00 0.00 1CDR8775
+ATOM 8553 1HB TYR 61 -4.954 3.075 -7.936 1.00 0.00 1CDR8776
+ATOM 8554 2HB TYR 61 -5.783 4.623 -7.767 1.00 0.00 1CDR8777
+ATOM 8555 HD1 TYR 61 -7.262 5.455 -9.623 1.00 0.00 1CDR8778
+ATOM 8556 HD2 TYR 61 -5.588 1.499 -9.616 1.00 0.00 1CDR8779
+ATOM 8557 HE1 TYR 61 -8.909 4.756 -11.341 1.00 0.00 1CDR8780
+ATOM 8558 HE2 TYR 61 -7.235 0.800 -11.334 1.00 0.00 1CDR8781
+ATOM 8559 HH TYR 61 -8.736 2.564 -13.267 1.00 0.00 1CDR8782
+ATOM 8560 N TYR 62 -2.416 3.345 -10.260 1.00 0.00 1CDR8783
+ATOM 8561 CA TYR 62 -1.888 2.499 -11.368 1.00 0.00 1CDR8784
+ATOM 8562 C TYR 62 -1.435 1.146 -10.811 1.00 0.00 1CDR8785
+ATOM 8563 O TYR 62 -0.386 1.033 -10.208 1.00 0.00 1CDR8786
+ATOM 8564 CB TYR 62 -0.700 3.200 -12.030 1.00 0.00 1CDR8787
+ATOM 8565 CG TYR 62 -0.265 2.412 -13.244 1.00 0.00 1CDR8788
+ATOM 8566 CD1 TYR 62 0.663 1.374 -13.107 1.00 0.00 1CDR8789
+ATOM 8567 CD2 TYR 62 -0.792 2.721 -14.503 1.00 0.00 1CDR8790
+ATOM 8568 CE1 TYR 62 1.065 0.642 -14.231 1.00 0.00 1CDR8791
+ATOM 8569 CE2 TYR 62 -0.389 1.989 -15.627 1.00 0.00 1CDR8792
+ATOM 8570 CZ TYR 62 0.539 0.950 -15.491 1.00 0.00 1CDR8793
+ATOM 8571 OH TYR 62 0.936 0.228 -16.598 1.00 0.00 1CDR8794
+ATOM 8572 H TYR 62 -1.844 3.562 -9.492 1.00 0.00 1CDR8795
+ATOM 8573 HA TYR 62 -2.666 2.342 -12.100 1.00 0.00 1CDR8796
+ATOM 8574 1HB TYR 62 -0.991 4.195 -12.332 1.00 0.00 1CDR8797
+ATOM 8575 2HB TYR 62 0.119 3.261 -11.330 1.00 0.00 1CDR8798
+ATOM 8576 HD1 TYR 62 1.069 1.136 -12.136 1.00 0.00 1CDR8799
+ATOM 8577 HD2 TYR 62 -1.508 3.523 -14.608 1.00 0.00 1CDR8800
+ATOM 8578 HE1 TYR 62 1.781 -0.159 -14.126 1.00 0.00 1CDR8801
+ATOM 8579 HE2 TYR 62 -0.795 2.227 -16.599 1.00 0.00 1CDR8802
+ATOM 8580 HH TYR 62 1.009 -0.694 -16.341 1.00 0.00 1CDR8803
+ATOM 8581 N CYS 63 -2.217 0.118 -11.010 1.00 0.00 1CDR8804
+ATOM 8582 CA CYS 63 -1.829 -1.224 -10.494 1.00 0.00 1CDR8805
+ATOM 8583 C CYS 63 -0.943 -1.926 -11.524 1.00 0.00 1CDR8806
+ATOM 8584 O CYS 63 -1.010 -1.650 -12.706 1.00 0.00 1CDR8807
+ATOM 8585 CB CYS 63 -3.086 -2.059 -10.250 1.00 0.00 1CDR8808
+ATOM 8586 SG CYS 63 -4.291 -1.082 -9.318 1.00 0.00 1CDR8809
+ATOM 8587 H CYS 63 -3.058 0.227 -11.499 1.00 0.00 1CDR8810
+ATOM 8588 HA CYS 63 -1.284 -1.113 -9.570 1.00 0.00 1CDR8811
+ATOM 8589 1HB CYS 63 -3.516 -2.350 -11.198 1.00 0.00 1CDR8812
+ATOM 8590 2HB CYS 63 -2.828 -2.945 -9.687 1.00 0.00 1CDR8813
+ATOM 8591 N CYS 64 -0.111 -2.829 -11.087 1.00 0.00 1CDR8814
+ATOM 8592 CA CYS 64 0.779 -3.546 -12.048 1.00 0.00 1CDR8815
+ATOM 8593 C CYS 64 1.102 -4.942 -11.511 1.00 0.00 1CDR8816
+ATOM 8594 O CYS 64 0.869 -5.245 -10.359 1.00 0.00 1CDR8817
+ATOM 8595 CB CYS 64 2.082 -2.758 -12.243 1.00 0.00 1CDR8818
+ATOM 8596 SG CYS 64 2.515 -1.884 -10.716 1.00 0.00 1CDR8819
+ATOM 8597 H CYS 64 -0.071 -3.037 -10.126 1.00 0.00 1CDR8820
+ATOM 8598 HA CYS 64 0.274 -3.638 -12.998 1.00 0.00 1CDR8821
+ATOM 8599 1HB CYS 64 2.877 -3.443 -12.501 1.00 0.00 1CDR8822
+ATOM 8600 2HB CYS 64 1.952 -2.044 -13.041 1.00 0.00 1CDR8823
+ATOM 8601 N LYS 65 1.634 -5.795 -12.345 1.00 0.00 1CDR8824
+ATOM 8602 CA LYS 65 1.970 -7.174 -11.889 1.00 0.00 1CDR8825
+ATOM 8603 C LYS 65 3.475 -7.413 -12.034 1.00 0.00 1CDR8826
+ATOM 8604 O LYS 65 3.913 -8.510 -12.322 1.00 0.00 1CDR8827
+ATOM 8605 CB LYS 65 1.209 -8.190 -12.742 1.00 0.00 1CDR8828
+ATOM 8606 CG LYS 65 -0.295 -7.955 -12.595 1.00 0.00 1CDR8829
+ATOM 8607 CD LYS 65 -0.909 -7.690 -13.971 1.00 0.00 1CDR8830
+ATOM 8608 CE LYS 65 -1.154 -9.019 -14.686 1.00 0.00 1CDR8831
+ATOM 8609 NZ LYS 65 -2.422 -9.622 -14.187 1.00 0.00 1CDR8832
+ATOM 8610 H LYS 65 1.810 -5.529 -13.272 1.00 0.00 1CDR8833
+ATOM 8611 HA LYS 65 1.686 -7.289 -10.854 1.00 0.00 1CDR8834
+ATOM 8612 1HB LYS 65 1.492 -8.074 -13.778 1.00 0.00 1CDR8835
+ATOM 8613 2HB LYS 65 1.449 -9.190 -12.413 1.00 0.00 1CDR8836
+ATOM 8614 1HG LYS 65 -0.755 -8.830 -12.156 1.00 0.00 1CDR8837
+ATOM 8615 2HG LYS 65 -0.465 -7.101 -11.957 1.00 0.00 1CDR8838
+ATOM 8616 1HD LYS 65 -1.846 -7.165 -13.851 1.00 0.00 1CDR8839
+ATOM 8617 2HD LYS 65 -0.231 -7.087 -14.558 1.00 0.00 1CDR8840
+ATOM 8618 1HE LYS 65 -1.231 -8.847 -15.749 1.00 0.00 1CDR8841
+ATOM 8619 2HE LYS 65 -0.333 -9.691 -14.488 1.00 0.00 1CDR8842
+ATOM 8620 1HZ LYS 65 -3.213 -8.973 -14.378 1.00 0.00 1CDR8843
+ATOM 8621 2HZ LYS 65 -2.590 -10.526 -14.671 1.00 0.00 1CDR8844
+ATOM 8622 3HZ LYS 65 -2.348 -9.788 -13.163 1.00 0.00 1CDR8845
+ATOM 8623 N LYS 66 4.272 -6.398 -11.836 1.00 0.00 1CDR8846
+ATOM 8624 CA LYS 66 5.746 -6.575 -11.963 1.00 0.00 1CDR8847
+ATOM 8625 C LYS 66 6.377 -6.588 -10.570 1.00 0.00 1CDR8848
+ATOM 8626 O LYS 66 6.118 -5.729 -9.751 1.00 0.00 1CDR8849
+ATOM 8627 CB LYS 66 6.333 -5.421 -12.778 1.00 0.00 1CDR8850
+ATOM 8628 CG LYS 66 6.857 -5.952 -14.114 1.00 0.00 1CDR8851
+ATOM 8629 CD LYS 66 8.276 -6.497 -13.927 1.00 0.00 1CDR8852
+ATOM 8630 CE LYS 66 8.437 -7.792 -14.726 1.00 0.00 1CDR8853
+ATOM 8631 NZ LYS 66 8.943 -7.477 -16.092 1.00 0.00 1CDR8854
+ATOM 8632 H LYS 66 3.900 -5.522 -11.603 1.00 0.00 1CDR8855
+ATOM 8633 HA LYS 66 5.955 -7.510 -12.462 1.00 0.00 1CDR8856
+ATOM 8634 1HB LYS 66 5.564 -4.684 -12.959 1.00 0.00 1CDR8857
+ATOM 8635 2HB LYS 66 7.144 -4.969 -12.229 1.00 0.00 1CDR8858
+ATOM 8636 1HG LYS 66 6.211 -6.743 -14.466 1.00 0.00 1CDR8859
+ATOM 8637 2HG LYS 66 6.875 -5.151 -14.837 1.00 0.00 1CDR8860
+ATOM 8638 1HD LYS 66 8.991 -5.767 -14.278 1.00 0.00 1CDR8861
+ATOM 8639 2HD LYS 66 8.450 -6.697 -12.881 1.00 0.00 1CDR8862
+ATOM 8640 1HE LYS 66 9.139 -8.440 -14.223 1.00 0.00 1CDR8863
+ATOM 8641 2HE LYS 66 7.481 -8.289 -14.802 1.00 0.00 1CDR8864
+ATOM 8642 1HZ LYS 66 8.404 -6.678 -16.486 1.00 0.00 1CDR8865
+ATOM 8643 2HZ LYS 66 9.950 -7.224 -16.040 1.00 0.00 1CDR8866
+ATOM 8644 3HZ LYS 66 8.829 -8.309 -16.705 1.00 0.00 1CDR8867
+ATOM 8645 N ASP 67 7.203 -7.560 -10.294 1.00 0.00 1CDR8868
+ATOM 8646 CA ASP 67 7.849 -7.632 -8.953 1.00 0.00 1CDR8869
+ATOM 8647 C ASP 67 8.352 -6.243 -8.552 1.00 0.00 1CDR8870
+ATOM 8648 O ASP 67 9.378 -5.786 -9.016 1.00 0.00 1CDR8871
+ATOM 8649 CB ASP 67 9.028 -8.607 -9.004 1.00 0.00 1CDR8872
+ATOM 8650 CG ASP 67 10.054 -8.121 -10.029 1.00 0.00 1CDR8873
+ATOM 8651 OD1 ASP 67 9.683 -7.970 -11.183 1.00 0.00 1CDR8874
+ATOM 8652 OD2 ASP 67 11.192 -7.910 -9.646 1.00 0.00 1CDR8875
+ATOM 8653 H ASP 67 7.396 -8.242 -10.969 1.00 0.00 1CDR8876
+ATOM 8654 HA ASP 67 7.128 -7.976 -8.226 1.00 0.00 1CDR8877
+ATOM 8655 1HB ASP 67 9.491 -8.661 -8.029 1.00 0.00 1CDR8878
+ATOM 8656 2HB ASP 67 8.673 -9.586 -9.288 1.00 0.00 1CDR8879
+ATOM 8657 N LEU 68 7.638 -5.571 -7.690 1.00 0.00 1CDR8880
+ATOM 8658 CA LEU 68 8.074 -4.216 -7.256 1.00 0.00 1CDR8881
+ATOM 8659 C LEU 68 7.972 -3.246 -8.433 1.00 0.00 1CDR8882
+ATOM 8660 O LEU 68 8.960 -2.729 -8.916 1.00 0.00 1CDR8883
+ATOM 8661 CB LEU 68 9.520 -4.282 -6.761 1.00 0.00 1CDR8884
+ATOM 8662 CG LEU 68 9.674 -5.469 -5.809 1.00 0.00 1CDR8885
+ATOM 8663 CD1 LEU 68 11.074 -5.456 -5.195 1.00 0.00 1CDR8886
+ATOM 8664 CD2 LEU 68 8.630 -5.365 -4.695 1.00 0.00 1CDR8887
+ATOM 8665 H LEU 68 6.817 -5.958 -7.326 1.00 0.00 1CDR8888
+ATOM 8666 HA LEU 68 7.435 -3.878 -6.455 1.00 0.00 1CDR8889
+ATOM 8667 1HB LEU 68 10.184 -4.406 -7.604 1.00 0.00 1CDR8890
+ATOM 8668 2HB LEU 68 9.764 -3.370 -6.239 1.00 0.00 1CDR8891
+ATOM 8669 HG LEU 68 9.529 -6.389 -6.356 1.00 0.00 1CDR8892
+ATOM 8670 1HD1 LEU 68 11.454 -4.445 -5.182 1.00 0.00 1CDR8893
+ATOM 8671 2HD1 LEU 68 11.027 -5.836 -4.185 1.00 0.00 1CDR8894
+ATOM 8672 3HD1 LEU 68 11.732 -6.080 -5.783 1.00 0.00 1CDR8895
+ATOM 8673 1HD2 LEU 68 8.402 -4.326 -4.510 1.00 0.00 1CDR8896
+ATOM 8674 2HD2 LEU 68 7.730 -5.882 -4.995 1.00 0.00 1CDR8897
+ATOM 8675 3HD2 LEU 68 9.018 -5.815 -3.793 1.00 0.00 1CDR8898
+ATOM 8676 N CYS 69 6.778 -2.993 -8.897 1.00 0.00 1CDR8899
+ATOM 8677 CA CYS 69 6.603 -2.054 -10.043 1.00 0.00 1CDR8900
+ATOM 8678 C CYS 69 6.272 -0.657 -9.513 1.00 0.00 1CDR8901
+ATOM 8679 O CYS 69 6.262 0.310 -10.250 1.00 0.00 1CDR8902
+ATOM 8680 CB CYS 69 5.464 -2.542 -10.945 1.00 0.00 1CDR8903
+ATOM 8681 SG CYS 69 4.025 -2.974 -9.933 1.00 0.00 1CDR8904
+ATOM 8682 H CYS 69 5.997 -3.421 -8.489 1.00 0.00 1CDR8905
+ATOM 8683 HA CYS 69 7.519 -2.012 -10.614 1.00 0.00 1CDR8906
+ATOM 8684 1HB CYS 69 5.194 -1.758 -11.636 1.00 0.00 1CDR8907
+ATOM 8685 2HB CYS 69 5.790 -3.411 -11.497 1.00 0.00 1CDR8908
+ATOM 8686 N ASN 70 6.007 -0.541 -8.241 1.00 0.00 1CDR8909
+ATOM 8687 CA ASN 70 5.685 0.796 -7.665 1.00 0.00 1CDR8910
+ATOM 8688 C ASN 70 6.922 1.347 -6.953 1.00 0.00 1CDR8911
+ATOM 8689 O ASN 70 6.969 1.425 -5.741 1.00 0.00 1CDR8912
+ATOM 8690 CB ASN 70 4.536 0.656 -6.662 1.00 0.00 1CDR8913
+ATOM 8691 CG ASN 70 4.278 2.006 -5.992 1.00 0.00 1CDR8914
+ATOM 8692 OD1 ASN 70 4.960 2.974 -6.265 1.00 0.00 1CDR8915
+ATOM 8693 ND2 ASN 70 3.313 2.115 -5.119 1.00 0.00 1CDR8916
+ATOM 8694 H ASN 70 6.025 -1.332 -7.662 1.00 0.00 1CDR8917
+ATOM 8695 HA ASN 70 5.392 1.470 -8.457 1.00 0.00 1CDR8918
+ATOM 8696 1HB ASN 70 3.644 0.332 -7.178 1.00 0.00 1CDR8919
+ATOM 8697 2HB ASN 70 4.801 -0.072 -5.910 1.00 0.00 1CDR8920
+ATOM 8698 1HD2 ASN 70 3.141 2.975 -4.684 1.00 0.00 1CDR8921
+ATOM 8699 2HD2 ASN 70 2.761 1.335 -4.900 1.00 0.00 1CDR8922
+ATOM 8700 N PHE 71 7.928 1.724 -7.696 1.00 0.00 1CDR8923
+ATOM 8701 CA PHE 71 9.165 2.261 -7.060 1.00 0.00 1CDR8924
+ATOM 8702 C PHE 71 9.554 3.589 -7.717 1.00 0.00 1CDR8925
+ATOM 8703 O PHE 71 10.702 3.815 -8.043 1.00 0.00 1CDR8926
+ATOM 8704 CB PHE 71 10.303 1.257 -7.244 1.00 0.00 1CDR8927
+ATOM 8705 CG PHE 71 10.554 1.057 -8.719 1.00 0.00 1CDR8928
+ATOM 8706 CD1 PHE 71 9.670 0.286 -9.481 1.00 0.00 1CDR8929
+ATOM 8707 CD2 PHE 71 11.669 1.648 -9.326 1.00 0.00 1CDR8930
+ATOM 8708 CE1 PHE 71 9.899 0.104 -10.851 1.00 0.00 1CDR8931
+ATOM 8709 CE2 PHE 71 11.899 1.467 -10.695 1.00 0.00 1CDR8932
+ATOM 8710 CZ PHE 71 11.014 0.695 -11.457 1.00 0.00 1CDR8933
+ATOM 8711 H PHE 71 7.872 1.649 -8.671 1.00 0.00 1CDR8934
+ATOM 8712 HA PHE 71 8.991 2.418 -6.005 1.00 0.00 1CDR8935
+ATOM 8713 1HB PHE 71 11.199 1.635 -6.772 1.00 0.00 1CDR8936
+ATOM 8714 2HB PHE 71 10.029 0.314 -6.796 1.00 0.00 1CDR8937
+ATOM 8715 HD1 PHE 71 8.810 -0.170 -9.013 1.00 0.00 1CDR8938
+ATOM 8716 HD2 PHE 71 12.352 2.243 -8.738 1.00 0.00 1CDR8939
+ATOM 8717 HE1 PHE 71 9.217 -0.491 -11.439 1.00 0.00 1CDR8940
+ATOM 8718 HE2 PHE 71 12.759 1.923 -11.163 1.00 0.00 1CDR8941
+ATOM 8719 HZ PHE 71 11.191 0.556 -12.514 1.00 0.00 1CDR8942
+ATOM 8720 N ASN 72 8.611 4.469 -7.912 1.00 0.00 1CDR8943
+ATOM 8721 CA ASN 72 8.938 5.778 -8.547 1.00 0.00 1CDR8944
+ATOM 8722 C ASN 72 9.323 5.556 -10.011 1.00 0.00 1CDR8945
+ATOM 8723 O ASN 72 10.329 6.050 -10.479 1.00 0.00 1CDR8946
+ATOM 8724 CB ASN 72 10.111 6.423 -7.806 1.00 0.00 1CDR8947
+ATOM 8725 CG ASN 72 9.662 7.746 -7.184 1.00 0.00 1CDR8948
+ATOM 8726 OD1 ASN 72 10.394 8.715 -7.194 1.00 0.00 1CDR8949
+ATOM 8727 ND2 ASN 72 8.480 7.828 -6.638 1.00 0.00 1CDR8950
+ATOM 8728 H ASN 72 7.690 4.271 -7.642 1.00 0.00 1CDR8951
+ATOM 8729 HA ASN 72 8.078 6.430 -8.495 1.00 0.00 1CDR8952
+ATOM 8730 1HB ASN 72 10.456 5.756 -7.028 1.00 0.00 1CDR8953
+ATOM 8731 2HB ASN 72 10.916 6.610 -8.501 1.00 0.00 1CDR8954
+ATOM 8732 1HD2 ASN 72 8.184 8.672 -6.235 1.00 0.00 1CDR8955
+ATOM 8733 2HD2 ASN 72 7.888 7.047 -6.628 1.00 0.00 1CDR8956
+ATOM 8734 N GLU 73 8.531 4.816 -10.739 1.00 0.00 1CDR8957
+ATOM 8735 CA GLU 73 8.854 4.564 -12.171 1.00 0.00 1CDR8958
+ATOM 8736 C GLU 73 7.743 3.723 -12.803 1.00 0.00 1CDR8959
+ATOM 8737 O GLU 73 7.965 2.610 -13.240 1.00 0.00 1CDR8960
+ATOM 8738 CB GLU 73 10.186 3.816 -12.271 1.00 0.00 1CDR8961
+ATOM 8739 CG GLU 73 11.015 4.399 -13.417 1.00 0.00 1CDR8962
+ATOM 8740 CD GLU 73 10.504 3.846 -14.748 1.00 0.00 1CDR8963
+ATOM 8741 OE1 GLU 73 9.351 4.088 -15.064 1.00 0.00 1CDR8964
+ATOM 8742 OE2 GLU 73 11.275 3.191 -15.430 1.00 0.00 1CDR8965
+ATOM 8743 H GLU 73 7.724 4.427 -10.342 1.00 0.00 1CDR8966
+ATOM 8744 HA GLU 73 8.931 5.506 -12.693 1.00 0.00 1CDR8967
+ATOM 8745 1HB GLU 73 10.728 3.924 -11.342 1.00 0.00 1CDR8968
+ATOM 8746 2HB GLU 73 9.999 2.769 -12.458 1.00 0.00 1CDR8969
+ATOM 8747 1HG GLU 73 10.925 5.475 -13.415 1.00 0.00 1CDR8970
+ATOM 8748 2HG GLU 73 12.051 4.123 -13.288 1.00 0.00 1CDR8971
+ATOM 8749 N GLN 74 6.549 4.246 -12.857 1.00 0.00 1CDR8972
+ATOM 8750 CA GLN 74 5.423 3.480 -13.461 1.00 0.00 1CDR8973
+ATOM 8751 C GLN 74 4.317 4.450 -13.881 1.00 0.00 1CDR8974
+ATOM 8752 O GLN 74 3.831 4.411 -14.994 1.00 0.00 1CDR8975
+ATOM 8753 CB GLN 74 4.870 2.488 -12.437 1.00 0.00 1CDR8976
+ATOM 8754 CG GLN 74 4.046 1.417 -13.153 1.00 0.00 1CDR8977
+ATOM 8755 CD GLN 74 4.984 0.472 -13.908 1.00 0.00 1CDR8978
+ATOM 8756 OE1 GLN 74 6.179 0.684 -13.941 1.00 0.00 1CDR8979
+ATOM 8757 NE2 GLN 74 4.489 -0.569 -14.521 1.00 0.00 1CDR8980
+ATOM 8758 H GLN 74 6.393 5.146 -12.499 1.00 0.00 1CDR8981
+ATOM 8759 HA GLN 74 5.778 2.942 -14.329 1.00 0.00 1CDR8982
+ATOM 8760 1HB GLN 74 5.690 2.022 -11.909 1.00 0.00 1CDR8983
+ATOM 8761 2HB GLN 74 4.240 3.012 -11.732 1.00 0.00 1CDR8984
+ATOM 8762 1HG GLN 74 3.476 0.856 -12.428 1.00 0.00 1CDR8985
+ATOM 8763 2HG GLN 74 3.373 1.889 -13.855 1.00 0.00 1CDR8986
+ATOM 8764 1HE2 GLN 74 5.082 -1.178 -15.007 1.00 0.00 1CDR8987
+ATOM 8765 2HE2 GLN 74 3.525 -0.740 -14.494 1.00 0.00 1CDR8988
+ATOM 8766 N LEU 75 3.915 5.322 -12.997 1.00 0.00 1CDR8989
+ATOM 8767 CA LEU 75 2.841 6.295 -13.344 1.00 0.00 1CDR8990
+ATOM 8768 C LEU 75 3.123 6.892 -14.724 1.00 0.00 1CDR8991
+ATOM 8769 O LEU 75 2.251 6.973 -15.566 1.00 0.00 1CDR8992
+ATOM 8770 CB LEU 75 2.813 7.416 -12.302 1.00 0.00 1CDR8993
+ATOM 8771 CG LEU 75 1.378 7.624 -11.814 1.00 0.00 1CDR8994
+ATOM 8772 CD1 LEU 75 0.481 7.973 -13.002 1.00 0.00 1CDR8995
+ATOM 8773 CD2 LEU 75 0.875 6.337 -11.156 1.00 0.00 1CDR8996
+ATOM 8774 H LEU 75 4.320 5.338 -12.104 1.00 0.00 1CDR8997
+ATOM 8775 HA LEU 75 1.887 5.790 -13.358 1.00 0.00 1CDR8998
+ATOM 8776 1HB LEU 75 3.442 7.146 -11.466 1.00 0.00 1CDR8999
+ATOM 8777 2HB LEU 75 3.174 8.331 -12.746 1.00 0.00 1CDR9000
+ATOM 8778 HG LEU 75 1.356 8.430 -11.096 1.00 0.00 1CDR9001
+ATOM 8779 1HD1 LEU 75 1.085 8.078 -13.891 1.00 0.00 1CDR9002
+ATOM 8780 2HD1 LEU 75 -0.243 7.185 -13.150 1.00 0.00 1CDR9003
+ATOM 8781 3HD1 LEU 75 -0.034 8.902 -12.804 1.00 0.00 1CDR9004
+ATOM 8782 1HD2 LEU 75 1.718 5.739 -10.843 1.00 0.00 1CDR9005
+ATOM 8783 2HD2 LEU 75 0.270 6.585 -10.296 1.00 0.00 1CDR9006
+ATOM 8784 3HD2 LEU 75 0.281 5.779 -11.866 1.00 0.00 1CDR9007
+ATOM 8785 N GLU 76 4.336 7.307 -14.964 1.00 0.00 1CDR9008
+ATOM 8786 CA GLU 76 4.674 7.896 -16.288 1.00 0.00 1CDR9009
+ATOM 8787 C GLU 76 4.508 6.832 -17.376 1.00 0.00 1CDR9010
+ATOM 8788 O GLU 76 4.157 5.701 -17.102 1.00 0.00 1CDR9011
+ATOM 8789 CB GLU 76 6.123 8.389 -16.274 1.00 0.00 1CDR9012
+ATOM 8790 CG GLU 76 6.165 9.862 -16.683 1.00 0.00 1CDR9013
+ATOM 8791 CD GLU 76 7.552 10.436 -16.389 1.00 0.00 1CDR9014
+ATOM 8792 OE1 GLU 76 8.481 9.655 -16.265 1.00 0.00 1CDR9015
+ATOM 8793 OE2 GLU 76 7.661 11.647 -16.292 1.00 0.00 1CDR9016
+ATOM 8794 H GLU 76 5.025 7.231 -14.272 1.00 0.00 1CDR9017
+ATOM 8795 HA GLU 76 4.014 8.727 -16.493 1.00 0.00 1CDR9018
+ATOM 8796 1HB GLU 76 6.530 8.279 -15.278 1.00 0.00 1CDR9019
+ATOM 8797 2HB GLU 76 6.709 7.807 -16.968 1.00 0.00 1CDR9020
+ATOM 8798 1HG GLU 76 5.956 9.947 -17.740 1.00 0.00 1CDR9021
+ATOM 8799 2HG GLU 76 5.424 10.412 -16.124 1.00 0.00 1CDR9022
+ATOM 8800 N ASN 77 4.758 7.182 -18.608 1.00 0.00 1CDR9023
+ATOM 8801 CA ASN 77 4.614 6.189 -19.708 1.00 0.00 1CDR9024
+ATOM 8802 C ASN 77 5.989 5.894 -20.312 1.00 0.00 1CDR9025
+ATOM 8803 O ASN 77 6.107 4.899 -21.009 1.00 0.00 1CDR9026
+ATOM 8804 CB ASN 77 3.693 6.757 -20.790 1.00 0.00 1CDR9027
+ATOM 8805 CG ASN 77 4.267 8.076 -21.309 1.00 0.00 1CDR9028
+ATOM 8806 OD1 ASN 77 5.454 8.319 -21.209 1.00 0.00 1CDR9029
+ATOM 8807 ND2 ASN 77 3.469 8.946 -21.865 1.00 0.00 1CDR9030
+ATOM 8808 OXT ASN 77 6.900 6.669 -20.069 1.00 0.00 1CDR9031
+ATOM 8809 H ASN 77 5.040 8.100 -18.809 1.00 0.00 1CDR9032
+ATOM 8810 HA ASN 77 4.190 5.276 -19.317 1.00 0.00 1CDR9033
+ATOM 8811 1HB ASN 77 3.616 6.051 -21.604 1.00 0.00 1CDR9034
+ATOM 8812 2HB ASN 77 2.714 6.933 -20.371 1.00 0.00 1CDR9035
+ATOM 8813 1HD2 ASN 77 3.825 9.795 -22.201 1.00 0.00 1CDR9036
+ATOM 8814 2HD2 ASN 77 2.511 8.751 -21.945 1.00 0.00 1CDR9037
+TER 8815 ASN 77 1CDR9038
+HETATM 8816 C1 NAG 78 9.108 -12.629 -2.309 1.00 0.00 1 1CDR9039
+HETATM 8817 C2 NAG 78 10.541 -12.129 -2.179 1.00 0.00 1 1CDR9040
+HETATM 8818 C3 NAG 78 11.372 -12.727 -3.301 1.00 0.00 1 1CDR9041
+HETATM 8819 C4 NAG 78 11.304 -14.240 -3.185 1.00 0.00 1 1CDR9042
+HETATM 8820 C5 NAG 78 9.846 -14.678 -3.296 1.00 0.00 1 1CDR9043
+HETATM 8821 C6 NAG 78 9.667 -16.179 -3.183 1.00 0.00 1 1CDR9044
+HETATM 8822 C7 NAG 78 10.493 -9.967 -1.164 1.00 0.00 1 1CDR9045
+HETATM 8823 C8 NAG 78 10.533 -8.454 -1.314 1.00 0.00 1 1CDR9046
+HETATM 8824 N2 NAG 78 10.574 -10.681 -2.254 1.00 0.00 1 1CDR9047
+HETATM 8825 O3 NAG 78 12.717 -12.283 -3.201 1.00 0.00 1 1CDR9048
+HETATM 8826 O4 NAG 78 12.095 -14.862 -4.222 1.00 0.00 1 1CDR9049
+HETATM 8827 O5 NAG 78 9.068 -14.064 -2.242 1.00 0.00 1 1CDR9050
+HETATM 8828 O6 NAG 78 9.436 -16.550 -1.810 1.00 0.00 1 1CDR9051
+HETATM 8829 O7 NAG 78 10.393 -10.493 -0.074 1.00 0.00 1 1CDR9052
+HETATM 8830 H1 NAG 78 8.692 -12.332 -3.285 1.00 0.00 1 1CDR9053
+HETATM 8831 H2 NAG 78 10.951 -12.462 -1.215 1.00 0.00 1 1CDR9054
+HETATM 8832 H3 NAG 78 10.941 -12.418 -4.262 1.00 0.00 1 1CDR9055
+HETATM 8833 H4 NAG 78 11.685 -14.535 -2.197 1.00 0.00 1 1CDR9056
+HETATM 8834 H5 NAG 78 9.437 -14.336 -4.257 1.00 0.00 1 1CDR9057
+HETATM 8835 1H6 NAG 78 10.569 -16.677 -3.563 1.00 0.00 1 1CDR9058
+HETATM 8836 2H6 NAG 78 8.817 -16.486 -3.808 1.00 0.00 1 1CDR9059
+HETATM 8837 1H8 NAG 78 10.898 -7.989 -0.389 1.00 0.00 1 1CDR9060
+HETATM 8838 2H8 NAG 78 9.527 -8.067 -1.528 1.00 0.00 1 1CDR9061
+HETATM 8839 3H8 NAG 78 11.202 -8.169 -2.137 1.00 0.00 1 1CDR9062
+HETATM 8840 HN2 NAG 78 10.660 -10.237 -3.123 1.00 0.00 1 1CDR9063
+HETATM 8841 HO3 NAG 78 12.742 -11.444 -2.733 1.00 0.00 1 1CDR9064
+HETATM 8842 C1 NAG 79 11.734 -14.589 -5.533 1.00 0.00 1CDR9065
+HETATM 8843 C2 NAG 79 12.970 -14.624 -6.423 1.00 0.00 1CDR9066
+HETATM 8844 C3 NAG 79 12.545 -14.358 -7.856 1.00 0.00 1CDR9067
+HETATM 8845 C4 NAG 79 11.544 -15.426 -8.261 1.00 0.00 1CDR9068
+HETATM 8846 C5 NAG 79 10.346 -15.364 -7.316 1.00 0.00 1CDR9069
+HETATM 8847 C6 NAG 79 9.289 -16.405 -7.628 1.00 0.00 1CDR9070
+HETATM 8848 C7 NAG 79 14.855 -13.941 -5.127 1.00 0.00 1CDR9071
+HETATM 8849 C8 NAG 79 15.825 -12.847 -4.709 1.00 0.00 1CDR9072
+HETATM 8850 N2 NAG 79 13.925 -13.624 -5.988 1.00 0.00 1CDR9073
+HETATM 8851 O3 NAG 79 13.678 -14.392 -8.714 1.00 0.00 1CDR9074
+HETATM 8852 O4 NAG 79 11.124 -15.213 -9.600 1.00 0.00 1CDR9075
+HETATM 8853 O5 NAG 79 10.781 -15.579 -5.952 1.00 0.00 1CDR9076
+HETATM 8854 O6 NAG 79 8.146 -16.243 -6.802 1.00 0.00 1CDR9077
+HETATM 8855 O7 NAG 79 14.940 -15.067 -4.678 1.00 0.00 1CDR9078
+HETATM 8856 H1 NAG 79 11.247 -13.606 -5.599 1.00 0.00 1CDR9079
+HETATM 8857 H2 NAG 79 13.424 -15.623 -6.365 1.00 0.00 1CDR9080
+HETATM 8858 H3 NAG 79 12.059 -13.374 -7.910 1.00 0.00 1CDR9081
+HETATM 8859 H4 NAG 79 12.020 -16.413 -8.167 1.00 0.00 1CDR9082
+HETATM 8860 H5 NAG 79 9.894 -14.363 -7.370 1.00 0.00 1CDR9083
+HETATM 8861 1H6 NAG 79 9.721 -17.404 -7.479 1.00 0.00 1CDR9084
+HETATM 8862 2H6 NAG 79 9.004 -16.314 -8.686 1.00 0.00 1CDR9085
+HETATM 8863 1H8 NAG 79 15.448 -11.864 -5.022 1.00 0.00 1CDR9086
+HETATM 8864 2H8 NAG 79 16.807 -13.011 -5.174 1.00 0.00 1CDR9087
+HETATM 8865 3H8 NAG 79 15.949 -12.845 -3.617 1.00 0.00 1CDR9088
+HETATM 8866 HN2 NAG 79 13.875 -12.711 -6.341 1.00 0.00 1CDR9089
+HETATM 8867 HO4 NAG 79 10.933 -16.058 -10.013 1.00 0.00 1CDR9090
+HETATM 8868 HO3 NAG 79 13.386 -14.369 -9.627 1.00 0.00 1CDR9091
+HETATM 8869 HO6 NAG 79 7.875 -15.322 -6.812 1.00 0.00 1CDR9092
+HETATM 8870 C1 FUC 80 9.371 -17.940 -1.656 1.00 0.00 1CDR9093
+HETATM 8871 C2 FUC 80 10.628 -18.421 -0.943 1.00 0.00 1CDR9094
+HETATM 8872 C3 FUC 80 10.661 -17.824 0.455 1.00 0.00 1CDR9095
+HETATM 8873 C4 FUC 80 9.409 -18.273 1.190 1.00 0.00 1CDR9096
+HETATM 8874 C5 FUC 80 8.185 -17.790 0.419 1.00 0.00 1CDR9097
+HETATM 8875 C6 FUC 80 6.877 -18.211 1.056 1.00 0.00 1CDR9098
+HETATM 8876 O2 FUC 80 11.780 -18.022 -1.671 1.00 0.00 1CDR9099
+HETATM 8877 O3 FUC 80 11.823 -18.261 1.145 1.00 0.00 1CDR9100
+HETATM 8878 O4 FUC 80 9.393 -19.689 1.298 1.00 0.00 1CDR9101
+HETATM 8879 O5 FUC 80 8.213 -18.330 -0.920 1.00 0.00 1CDR9102
+HETATM 8880 H1 FUC 80 9.298 -18.415 -2.648 1.00 0.00 1CDR9103
+HETATM 8881 H2 FUC 80 10.594 -19.517 -0.860 1.00 0.00 1CDR9104
+HETATM 8882 H3 FUC 80 10.656 -16.727 0.377 1.00 0.00 1CDR9105
+HETATM 8883 H4 FUC 80 9.401 -17.818 2.190 1.00 0.00 1CDR9106
+HETATM 8884 H5 FUC 80 8.215 -16.695 0.338 1.00 0.00 1CDR9107
+HETATM 8885 1H6 FUC 80 6.345 -18.908 0.394 1.00 0.00 1CDR9108
+HETATM 8886 2H6 FUC 80 6.245 -17.329 1.231 1.00 0.00 1CDR9109
+HETATM 8887 3H6 FUC 80 7.072 -18.709 2.017 1.00 0.00 1CDR9110
+HETATM 8888 HO2 FUC 80 12.220 -18.801 -2.021 1.00 0.00 1CDR9111
+HETATM 8889 HO3 FUC 80 11.777 -19.210 1.277 1.00 0.00 1CDR9112
+HETATM 8890 HO4 FUC 80 8.563 -19.969 1.692 1.00 0.00 1CDR9113
+ENDMDL 1CDR9114
+MODEL 8 1CDR9115
+ATOM 8891 N LEU 1 4.571 -12.216 -6.086 1.00 0.00 1CDR9116
+ATOM 8892 CA LEU 1 4.080 -10.858 -6.453 1.00 0.00 1CDR9117
+ATOM 8893 C LEU 1 4.413 -9.877 -5.326 1.00 0.00 1CDR9118
+ATOM 8894 O LEU 1 3.607 -9.623 -4.453 1.00 0.00 1CDR9119
+ATOM 8895 CB LEU 1 2.565 -10.903 -6.664 1.00 0.00 1CDR9120
+ATOM 8896 CG LEU 1 2.136 -9.748 -7.572 1.00 0.00 1CDR9121
+ATOM 8897 CD1 LEU 1 2.728 -8.438 -7.049 1.00 0.00 1CDR9122
+ATOM 8898 CD2 LEU 1 2.640 -10.001 -8.995 1.00 0.00 1CDR9123
+ATOM 8899 1H LEU 1 4.759 -12.251 -5.063 1.00 0.00 1CDR9124
+ATOM 8900 2H LEU 1 3.848 -12.923 -6.330 1.00 0.00 1CDR9125
+ATOM 8901 3H LEU 1 5.445 -12.422 -6.609 1.00 0.00 1CDR9126
+ATOM 8902 HA LEU 1 4.561 -10.535 -7.364 1.00 0.00 1CDR9127
+ATOM 8903 1HB LEU 1 2.294 -11.842 -7.123 1.00 0.00 1CDR9128
+ATOM 8904 2HB LEU 1 2.066 -10.812 -5.711 1.00 0.00 1CDR9129
+ATOM 8905 HG LEU 1 1.058 -9.676 -7.578 1.00 0.00 1CDR9130
+ATOM 8906 1HD1 LEU 1 2.651 -8.413 -5.973 1.00 0.00 1CDR9131
+ATOM 8907 2HD1 LEU 1 3.767 -8.371 -7.338 1.00 0.00 1CDR9132
+ATOM 8908 3HD1 LEU 1 2.184 -7.604 -7.468 1.00 0.00 1CDR9133
+ATOM 8909 1HD2 LEU 1 3.593 -10.508 -8.956 1.00 0.00 1CDR9134
+ATOM 8910 2HD2 LEU 1 1.928 -10.614 -9.526 1.00 0.00 1CDR9135
+ATOM 8911 3HD2 LEU 1 2.757 -9.057 -9.509 1.00 0.00 1CDR9136
+ATOM 8912 N GLN 2 5.594 -9.324 -5.341 1.00 0.00 1CDR9137
+ATOM 8913 CA GLN 2 5.983 -8.360 -4.276 1.00 0.00 1CDR9138
+ATOM 8914 C GLN 2 5.410 -6.983 -4.605 1.00 0.00 1CDR9139
+ATOM 8915 O GLN 2 5.145 -6.665 -5.744 1.00 0.00 1CDR9140
+ATOM 8916 CB GLN 2 7.509 -8.267 -4.206 1.00 0.00 1CDR9141
+ATOM 8917 CG GLN 2 8.084 -9.598 -3.725 1.00 0.00 1CDR9142
+ATOM 8918 CD GLN 2 9.184 -10.055 -4.685 1.00 0.00 1CDR9143
+ATOM 8919 OE1 GLN 2 9.479 -9.383 -5.653 1.00 0.00 1CDR9144
+ATOM 8920 NE2 GLN 2 9.807 -11.179 -4.458 1.00 0.00 1CDR9145
+ATOM 8921 H GLN 2 6.226 -9.543 -6.057 1.00 0.00 1CDR9146
+ATOM 8922 HA GLN 2 5.598 -8.692 -3.322 1.00 0.00 1CDR9147
+ATOM 8923 1HB GLN 2 7.899 -8.040 -5.188 1.00 0.00 1CDR9148
+ATOM 8924 2HB GLN 2 7.790 -7.484 -3.518 1.00 0.00 1CDR9149
+ATOM 8925 1HG GLN 2 8.499 -9.472 -2.735 1.00 0.00 1CDR9150
+ATOM 8926 2HG GLN 2 7.301 -10.341 -3.697 1.00 0.00 1CDR9151
+ATOM 8927 1HE2 GLN 2 10.513 -11.479 -5.069 1.00 0.00 1CDR9152
+ATOM 8928 2HE2 GLN 2 9.570 -11.721 -3.678 1.00 0.00 1CDR9153
+ATOM 8929 N CYS 3 5.228 -6.160 -3.614 1.00 0.00 1CDR9154
+ATOM 8930 CA CYS 3 4.686 -4.796 -3.865 1.00 0.00 1CDR9155
+ATOM 8931 C CYS 3 5.356 -3.814 -2.903 1.00 0.00 1CDR9156
+ATOM 8932 O CYS 3 6.161 -4.195 -2.076 1.00 0.00 1CDR9157
+ATOM 8933 CB CYS 3 3.177 -4.784 -3.630 1.00 0.00 1CDR9158
+ATOM 8934 SG CYS 3 2.332 -5.711 -4.939 1.00 0.00 1CDR9159
+ATOM 8935 H CYS 3 5.456 -6.437 -2.701 1.00 0.00 1CDR9160
+ATOM 8936 HA CYS 3 4.893 -4.507 -4.880 1.00 0.00 1CDR9161
+ATOM 8937 1HB CYS 3 2.968 -5.239 -2.680 1.00 0.00 1CDR9162
+ATOM 8938 2HB CYS 3 2.822 -3.764 -3.625 1.00 0.00 1CDR9163
+ATOM 8939 N TYR 4 5.036 -2.555 -2.999 1.00 0.00 1CDR9164
+ATOM 8940 CA TYR 4 5.661 -1.562 -2.083 1.00 0.00 1CDR9165
+ATOM 8941 C TYR 4 4.616 -1.064 -1.083 1.00 0.00 1CDR9166
+ATOM 8942 O TYR 4 3.681 -0.376 -1.439 1.00 0.00 1CDR9167
+ATOM 8943 CB TYR 4 6.200 -0.383 -2.894 1.00 0.00 1CDR9168
+ATOM 8944 CG TYR 4 7.616 -0.681 -3.324 1.00 0.00 1CDR9169
+ATOM 8945 CD1 TYR 4 8.671 -0.521 -2.418 1.00 0.00 1CDR9170
+ATOM 8946 CD2 TYR 4 7.873 -1.121 -4.628 1.00 0.00 1CDR9171
+ATOM 8947 CE1 TYR 4 9.983 -0.800 -2.817 1.00 0.00 1CDR9172
+ATOM 8948 CE2 TYR 4 9.185 -1.401 -5.026 1.00 0.00 1CDR9173
+ATOM 8949 CZ TYR 4 10.241 -1.240 -4.120 1.00 0.00 1CDR9174
+ATOM 8950 OH TYR 4 11.535 -1.516 -4.513 1.00 0.00 1CDR9175
+ATOM 8951 H TYR 4 4.385 -2.263 -3.671 1.00 0.00 1CDR9176
+ATOM 8952 HA TYR 4 6.475 -2.030 -1.548 1.00 0.00 1CDR9177
+ATOM 8953 1HB TYR 4 5.581 -0.234 -3.767 1.00 0.00 1CDR9178
+ATOM 8954 2HB TYR 4 6.189 0.508 -2.287 1.00 0.00 1CDR9179
+ATOM 8955 HD1 TYR 4 8.473 -0.182 -1.412 1.00 0.00 1CDR9180
+ATOM 8956 HD2 TYR 4 7.059 -1.246 -5.326 1.00 0.00 1CDR9181
+ATOM 8957 HE1 TYR 4 10.797 -0.678 -2.118 1.00 0.00 1CDR9182
+ATOM 8958 HE2 TYR 4 9.383 -1.741 -6.032 1.00 0.00 1CDR9183
+ATOM 8959 HH TYR 4 11.578 -2.441 -4.766 1.00 0.00 1CDR9184
+ATOM 8960 N ASN 5 4.766 -1.412 0.166 1.00 0.00 1CDR9185
+ATOM 8961 CA ASN 5 3.779 -0.963 1.187 1.00 0.00 1CDR9186
+ATOM 8962 C ASN 5 4.453 0.002 2.164 1.00 0.00 1CDR9187
+ATOM 8963 O ASN 5 5.613 -0.138 2.492 1.00 0.00 1CDR9188
+ATOM 8964 CB ASN 5 3.253 -2.178 1.954 1.00 0.00 1CDR9189
+ATOM 8965 CG ASN 5 1.945 -1.812 2.657 1.00 0.00 1CDR9190
+ATOM 8966 OD1 ASN 5 1.874 -0.823 3.359 1.00 0.00 1CDR9191
+ATOM 8967 ND2 ASN 5 0.898 -2.576 2.500 1.00 0.00 1CDR9192
+ATOM 8968 H ASN 5 5.526 -1.971 0.432 1.00 0.00 1CDR9193
+ATOM 8969 HA ASN 5 2.956 -0.463 0.698 1.00 0.00 1CDR9194
+ATOM 8970 1HB ASN 5 3.076 -2.990 1.263 1.00 0.00 1CDR9195
+ATOM 8971 2HB ASN 5 3.982 -2.482 2.689 1.00 0.00 1CDR9196
+ATOM 8972 1HD2 ASN 5 0.056 -2.350 2.948 1.00 0.00 1CDR9197
+ATOM 8973 2HD2 ASN 5 0.954 -3.373 1.934 1.00 0.00 1CDR9198
+ATOM 8974 N CYS 6 3.727 0.980 2.634 1.00 0.00 1CDR9199
+ATOM 8975 CA CYS 6 4.314 1.956 3.595 1.00 0.00 1CDR9200
+ATOM 8976 C CYS 6 3.217 2.431 4.554 1.00 0.00 1CDR9201
+ATOM 8977 O CYS 6 2.050 2.407 4.215 1.00 0.00 1CDR9202
+ATOM 8978 CB CYS 6 4.884 3.151 2.824 1.00 0.00 1CDR9203
+ATOM 8979 SG CYS 6 5.741 2.562 1.340 1.00 0.00 1CDR9204
+ATOM 8980 H CYS 6 2.792 1.069 2.357 1.00 0.00 1CDR9205
+ATOM 8981 HA CYS 6 5.103 1.479 4.157 1.00 0.00 1CDR9206
+ATOM 8982 1HB CYS 6 4.078 3.811 2.537 1.00 0.00 1CDR9207
+ATOM 8983 2HB CYS 6 5.580 3.686 3.453 1.00 0.00 1CDR9208
+ATOM 8984 N PRO 7 3.623 2.840 5.729 1.00 0.00 1CDR9209
+ATOM 8985 CA PRO 7 2.695 3.319 6.770 1.00 0.00 1CDR9210
+ATOM 8986 C PRO 7 2.217 4.742 6.459 1.00 0.00 1CDR9211
+ATOM 8987 O PRO 7 1.251 5.217 7.023 1.00 0.00 1CDR9212
+ATOM 8988 CB PRO 7 3.541 3.290 8.045 1.00 0.00 1CDR9213
+ATOM 8989 CG PRO 7 5.019 3.345 7.590 1.00 0.00 1CDR9214
+ATOM 8990 CD PRO 7 5.046 2.865 6.126 1.00 0.00 1CDR9215
+ATOM 8991 HA PRO 7 1.857 2.649 6.869 1.00 0.00 1CDR9216
+ATOM 8992 1HB PRO 7 3.306 4.146 8.665 1.00 0.00 1CDR9217
+ATOM 8993 2HB PRO 7 3.362 2.376 8.589 1.00 0.00 1CDR9218
+ATOM 8994 1HG PRO 7 5.388 4.360 7.659 1.00 0.00 1CDR9219
+ATOM 8995 2HG PRO 7 5.620 2.689 8.201 1.00 0.00 1CDR9220
+ATOM 8996 1HD PRO 7 5.602 3.560 5.513 1.00 0.00 1CDR9221
+ATOM 8997 2HD PRO 7 5.469 1.875 6.060 1.00 0.00 1CDR9222
+ATOM 8998 N ASN 8 2.882 5.424 5.569 1.00 0.00 1CDR9223
+ATOM 8999 CA ASN 8 2.459 6.811 5.229 1.00 0.00 1CDR9224
+ATOM 9000 C ASN 8 2.680 7.057 3.735 1.00 0.00 1CDR9225
+ATOM 9001 O ASN 8 3.550 6.459 3.133 1.00 0.00 1CDR9226
+ATOM 9002 CB ASN 8 3.291 7.813 6.035 1.00 0.00 1CDR9227
+ATOM 9003 CG ASN 8 2.608 8.083 7.377 1.00 0.00 1CDR9228
+ATOM 9004 OD1 ASN 8 1.509 7.623 7.616 1.00 0.00 1CDR9229
+ATOM 9005 ND2 ASN 8 3.216 8.816 8.269 1.00 0.00 1CDR9230
+ATOM 9006 H ASN 8 3.658 5.024 5.124 1.00 0.00 1CDR9231
+ATOM 9007 HA ASN 8 1.413 6.938 5.463 1.00 0.00 1CDR9232
+ATOM 9008 1HB ASN 8 4.277 7.407 6.207 1.00 0.00 1CDR9233
+ATOM 9009 2HB ASN 8 3.374 8.738 5.484 1.00 0.00 1CDR9234
+ATOM 9010 1HD2 ASN 8 2.787 8.995 9.132 1.00 0.00 1CDR9235
+ATOM 9011 2HD2 ASN 8 4.103 9.188 8.077 1.00 0.00 1CDR9236
+ATOM 9012 N PRO 9 1.887 7.938 3.182 1.00 0.00 1CDR9237
+ATOM 9013 CA PRO 9 1.978 8.293 1.758 1.00 0.00 1CDR9238
+ATOM 9014 C PRO 9 3.173 9.213 1.537 1.00 0.00 1CDR9239
+ATOM 9015 O PRO 9 3.045 10.419 1.465 1.00 0.00 1CDR9240
+ATOM 9016 CB PRO 9 0.656 9.013 1.478 1.00 0.00 1CDR9241
+ATOM 9017 CG PRO 9 0.142 9.523 2.846 1.00 0.00 1CDR9242
+ATOM 9018 CD PRO 9 0.835 8.664 3.923 1.00 0.00 1CDR9243
+ATOM 9019 HA PRO 9 2.061 7.409 1.149 1.00 0.00 1CDR9244
+ATOM 9020 1HB PRO 9 0.822 9.845 0.806 1.00 0.00 1CDR9245
+ATOM 9021 2HB PRO 9 -0.060 8.327 1.054 1.00 0.00 1CDR9246
+ATOM 9022 1HG PRO 9 0.404 10.564 2.974 1.00 0.00 1CDR9247
+ATOM 9023 2HG PRO 9 -0.927 9.397 2.912 1.00 0.00 1CDR9248
+ATOM 9024 1HD PRO 9 1.270 9.295 4.686 1.00 0.00 1CDR9249
+ATOM 9025 2HD PRO 9 0.137 7.966 4.359 1.00 0.00 1CDR9250
+ATOM 9026 N THR 10 4.337 8.643 1.440 1.00 0.00 1CDR9251
+ATOM 9027 CA THR 10 5.560 9.466 1.236 1.00 0.00 1CDR9252
+ATOM 9028 C THR 10 6.031 9.340 -0.212 1.00 0.00 1CDR9253
+ATOM 9029 O THR 10 5.642 8.436 -0.927 1.00 0.00 1CDR9254
+ATOM 9030 CB THR 10 6.665 8.971 2.174 1.00 0.00 1CDR9255
+ATOM 9031 OG1 THR 10 7.811 9.797 2.030 1.00 0.00 1CDR9256
+ATOM 9032 CG2 THR 10 7.027 7.526 1.823 1.00 0.00 1CDR9257
+ATOM 9033 H THR 10 4.406 7.667 1.509 1.00 0.00 1CDR9258
+ATOM 9034 HA THR 10 5.339 10.499 1.455 1.00 0.00 1CDR9259
+ATOM 9035 HB THR 10 6.317 9.011 3.194 1.00 0.00 1CDR9260
+ATOM 9036 HG1 THR 10 7.571 10.688 2.297 1.00 0.00 1CDR9261
+ATOM 9037 1HG2 THR 10 6.436 7.202 0.979 1.00 0.00 1CDR9262
+ATOM 9038 2HG2 THR 10 8.076 7.469 1.571 1.00 0.00 1CDR9263
+ATOM 9039 3HG2 THR 10 6.826 6.888 2.671 1.00 0.00 1CDR9264
+ATOM 9040 N ALA 11 6.870 10.237 -0.648 1.00 0.00 1CDR9265
+ATOM 9041 CA ALA 11 7.373 10.169 -2.048 1.00 0.00 1CDR9266
+ATOM 9042 C ALA 11 8.807 9.642 -2.040 1.00 0.00 1CDR9267
+ATOM 9043 O ALA 11 9.631 10.042 -2.839 1.00 0.00 1CDR9268
+ATOM 9044 CB ALA 11 7.343 11.567 -2.670 1.00 0.00 1CDR9269
+ATOM 9045 H ALA 11 7.172 10.954 -0.053 1.00 0.00 1CDR9270
+ATOM 9046 HA ALA 11 6.747 9.504 -2.624 1.00 0.00 1CDR9271
+ATOM 9047 1HB ALA 11 6.683 12.202 -2.097 1.00 0.00 1CDR9272
+ATOM 9048 2HB ALA 11 8.339 11.984 -2.664 1.00 0.00 1CDR9273
+ATOM 9049 3HB ALA 11 6.987 11.500 -3.687 1.00 0.00 1CDR9274
+ATOM 9050 N ASP 12 9.113 8.745 -1.142 1.00 0.00 1CDR9275
+ATOM 9051 CA ASP 12 10.496 8.194 -1.082 1.00 0.00 1CDR9276
+ATOM 9052 C ASP 12 10.485 6.855 -0.341 1.00 0.00 1CDR9277
+ATOM 9053 O ASP 12 11.398 6.535 0.395 1.00 0.00 1CDR9278
+ATOM 9054 CB ASP 12 11.403 9.180 -0.342 1.00 0.00 1CDR9279
+ATOM 9055 CG ASP 12 11.962 10.204 -1.332 1.00 0.00 1CDR9280
+ATOM 9056 OD1 ASP 12 12.326 9.804 -2.425 1.00 0.00 1CDR9281
+ATOM 9057 OD2 ASP 12 12.015 11.372 -0.980 1.00 0.00 1CDR9282
+ATOM 9058 H ASP 12 8.434 8.437 -0.506 1.00 0.00 1CDR9283
+ATOM 9059 HA ASP 12 10.868 8.048 -2.085 1.00 0.00 1CDR9284
+ATOM 9060 1HB ASP 12 10.834 9.689 0.421 1.00 0.00 1CDR9285
+ATOM 9061 2HB ASP 12 12.220 8.643 0.116 1.00 0.00 1CDR9286
+ATOM 9062 N CYS 13 9.461 6.065 -0.530 1.00 0.00 1CDR9287
+ATOM 9063 CA CYS 13 9.398 4.747 0.163 1.00 0.00 1CDR9288
+ATOM 9064 C CYS 13 10.337 3.763 -0.535 1.00 0.00 1CDR9289
+ATOM 9065 O CYS 13 10.834 4.020 -1.613 1.00 0.00 1CDR9290
+ATOM 9066 CB CYS 13 7.970 4.200 0.110 1.00 0.00 1CDR9291
+ATOM 9067 SG CYS 13 7.649 3.186 1.576 1.00 0.00 1CDR9292
+ATOM 9068 H CYS 13 8.735 6.339 -1.129 1.00 0.00 1CDR9293
+ATOM 9069 HA CYS 13 9.702 4.866 1.194 1.00 0.00 1CDR9294
+ATOM 9070 1HB CYS 13 7.273 5.019 0.083 1.00 0.00 1CDR9295
+ATOM 9071 2HB CYS 13 7.850 3.596 -0.777 1.00 0.00 1CDR9296
+ATOM 9072 N LYS 14 10.578 2.637 0.073 1.00 0.00 1CDR9297
+ATOM 9073 CA LYS 14 11.479 1.630 -0.551 1.00 0.00 1CDR9298
+ATOM 9074 C LYS 14 11.578 0.412 0.366 1.00 0.00 1CDR9299
+ATOM 9075 O LYS 14 12.596 -0.248 0.431 1.00 0.00 1CDR9300
+ATOM 9076 CB LYS 14 12.868 2.237 -0.752 1.00 0.00 1CDR9301
+ATOM 9077 CG LYS 14 13.242 2.179 -2.234 1.00 0.00 1CDR9302
+ATOM 9078 CD LYS 14 14.534 2.964 -2.465 1.00 0.00 1CDR9303
+ATOM 9079 CE LYS 14 15.175 2.522 -3.782 1.00 0.00 1CDR9304
+ATOM 9080 NZ LYS 14 14.372 3.040 -4.926 1.00 0.00 1CDR9305
+ATOM 9081 H LYS 14 10.164 2.453 0.941 1.00 0.00 1CDR9306
+ATOM 9082 HA LYS 14 11.074 1.329 -1.507 1.00 0.00 1CDR9307
+ATOM 9083 1HB LYS 14 12.863 3.266 -0.421 1.00 0.00 1CDR9308
+ATOM 9084 2HB LYS 14 13.592 1.678 -0.178 1.00 0.00 1CDR9309
+ATOM 9085 1HG LYS 14 13.388 1.149 -2.529 1.00 0.00 1CDR9310
+ATOM 9086 2HG LYS 14 12.449 2.614 -2.823 1.00 0.00 1CDR9311
+ATOM 9087 1HD LYS 14 14.310 4.021 -2.509 1.00 0.00 1CDR9312
+ATOM 9088 2HD LYS 14 15.220 2.776 -1.652 1.00 0.00 1CDR9313
+ATOM 9089 1HE LYS 14 16.180 2.913 -3.842 1.00 0.00 1CDR9314
+ATOM 9090 2HE LYS 14 15.206 1.444 -3.822 1.00 0.00 1CDR9315
+ATOM 9091 1HZ LYS 14 13.542 3.550 -4.564 1.00 0.00 1CDR9316
+ATOM 9092 2HZ LYS 14 14.953 3.687 -5.494 1.00 0.00 1CDR9317
+ATOM 9093 3HZ LYS 14 14.059 2.242 -5.518 1.00 0.00 1CDR9318
+ATOM 9094 N THR 15 10.528 0.112 1.082 1.00 0.00 1CDR9319
+ATOM 9095 CA THR 15 10.565 -1.063 1.999 1.00 0.00 1CDR9320
+ATOM 9096 C THR 15 10.435 -2.355 1.187 1.00 0.00 1CDR9321
+ATOM 9097 O THR 15 10.938 -3.390 1.574 1.00 0.00 1CDR9322
+ATOM 9098 CB THR 15 9.412 -0.967 3.002 1.00 0.00 1CDR9323
+ATOM 9099 OG1 THR 15 9.415 -2.119 3.832 1.00 0.00 1CDR9324
+ATOM 9100 CG2 THR 15 8.085 -0.879 2.250 1.00 0.00 1CDR9325
+ATOM 9101 H THR 15 9.715 0.661 1.018 1.00 0.00 1CDR9326
+ATOM 9102 HA THR 15 11.505 -1.069 2.533 1.00 0.00 1CDR9327
+ATOM 9103 HB THR 15 9.536 -0.083 3.609 1.00 0.00 1CDR9328
+ATOM 9104 HG1 THR 15 8.506 -2.308 4.078 1.00 0.00 1CDR9329
+ATOM 9105 1HG2 THR 15 8.243 -1.120 1.210 1.00 0.00 1CDR9330
+ATOM 9106 2HG2 THR 15 7.383 -1.579 2.679 1.00 0.00 1CDR9331
+ATOM 9107 3HG2 THR 15 7.691 0.123 2.333 1.00 0.00 1CDR9332
+ATOM 9108 N ALA 16 9.773 -2.300 0.062 1.00 0.00 1CDR9333
+ATOM 9109 CA ALA 16 9.615 -3.520 -0.781 1.00 0.00 1CDR9334
+ATOM 9110 C ALA 16 9.312 -4.737 0.101 1.00 0.00 1CDR9335
+ATOM 9111 O ALA 16 10.202 -5.369 0.633 1.00 0.00 1CDR9336
+ATOM 9112 CB ALA 16 10.908 -3.762 -1.559 1.00 0.00 1CDR9337
+ATOM 9113 H ALA 16 9.384 -1.453 -0.234 1.00 0.00 1CDR9338
+ATOM 9114 HA ALA 16 8.802 -3.371 -1.477 1.00 0.00 1CDR9339
+ATOM 9115 1HB ALA 16 11.661 -3.062 -1.228 1.00 0.00 1CDR9340
+ATOM 9116 2HB ALA 16 11.250 -4.771 -1.382 1.00 0.00 1CDR9341
+ATOM 9117 3HB ALA 16 10.724 -3.623 -2.613 1.00 0.00 1CDR9342
+ATOM 9118 N VAL 17 8.059 -5.074 0.255 1.00 0.00 1CDR9343
+ATOM 9119 CA VAL 17 7.702 -6.251 1.100 1.00 0.00 1CDR9344
+ATOM 9120 C VAL 17 6.853 -7.234 0.289 1.00 0.00 1CDR9345
+ATOM 9121 O VAL 17 6.124 -6.852 -0.606 1.00 0.00 1CDR9346
+ATOM 9122 CB VAL 17 6.907 -5.777 2.319 1.00 0.00 1CDR9347
+ATOM 9123 CG1 VAL 17 5.786 -4.842 1.865 1.00 0.00 1CDR9348
+ATOM 9124 CG2 VAL 17 6.302 -6.986 3.036 1.00 0.00 1CDR9349
+ATOM 9125 H VAL 17 7.353 -4.556 -0.185 1.00 0.00 1CDR9350
+ATOM 9126 HA VAL 17 8.604 -6.744 1.430 1.00 0.00 1CDR9351
+ATOM 9127 HB VAL 17 7.565 -5.247 2.993 1.00 0.00 1CDR9352
+ATOM 9128 1HG1 VAL 17 5.209 -5.321 1.088 1.00 0.00 1CDR9353
+ATOM 9129 2HG1 VAL 17 5.142 -4.617 2.703 1.00 0.00 1CDR9354
+ATOM 9130 3HG1 VAL 17 6.213 -3.925 1.484 1.00 0.00 1CDR9355
+ATOM 9131 1HG2 VAL 17 6.898 -7.863 2.831 1.00 0.00 1CDR9356
+ATOM 9132 2HG2 VAL 17 6.288 -6.802 4.101 1.00 0.00 1CDR9357
+ATOM 9133 3HG2 VAL 17 5.294 -7.145 2.685 1.00 0.00 1CDR9358
+ATOM 9134 N ASN 18 6.942 -8.501 0.598 1.00 0.00 1 1CDR9359
+ATOM 9135 CA ASN 18 6.143 -9.516 -0.149 1.00 0.00 1 1CDR9360
+ATOM 9136 C ASN 18 4.652 -9.292 0.118 1.00 0.00 1 1CDR9361
+ATOM 9137 O ASN 18 4.270 -8.735 1.128 1.00 0.00 1 1CDR9362
+ATOM 9138 CB ASN 18 6.529 -10.920 0.328 1.00 0.00 1 1CDR9363
+ATOM 9139 CG ASN 18 7.697 -11.449 -0.506 1.00 0.00 1 1CDR9364
+ATOM 9140 OD1 ASN 18 7.820 -11.152 -1.678 1.00 0.00 1 1CDR9365
+ATOM 9141 ND2 ASN 18 8.554 -12.235 0.088 1.00 0.00 1 1CDR9366
+ATOM 9142 H ASN 18 7.534 -8.784 1.322 1.00 0.00 1 1CDR9367
+ATOM 9143 HA ASN 18 6.340 -9.427 -1.207 1.00 0.00 1 1CDR9368
+ATOM 9144 1HB ASN 18 6.820 -10.877 1.369 1.00 0.00 1 1CDR9369
+ATOM 9145 2HB ASN 18 5.683 -11.581 0.219 1.00 0.00 1 1CDR9370
+ATOM 9146 HD2 ASN 18 8.432 -12.466 1.032 1.00 0.00 1 1CDR9371
+ATOM 9147 N CYS 19 3.806 -9.727 -0.777 1.00 0.00 1CDR9372
+ATOM 9148 CA CYS 19 2.342 -9.545 -0.569 1.00 0.00 1CDR9373
+ATOM 9149 C CYS 19 1.595 -10.755 -1.136 1.00 0.00 1CDR9374
+ATOM 9150 O CYS 19 0.993 -10.688 -2.190 1.00 0.00 1CDR9375
+ATOM 9151 CB CYS 19 1.876 -8.273 -1.283 1.00 0.00 1CDR9376
+ATOM 9152 SG CYS 19 1.140 -7.141 -0.076 1.00 0.00 1CDR9377
+ATOM 9153 H CYS 19 4.132 -10.179 -1.582 1.00 0.00 1CDR9378
+ATOM 9154 HA CYS 19 2.137 -9.459 0.488 1.00 0.00 1CDR9379
+ATOM 9155 1HB CYS 19 2.723 -7.796 -1.756 1.00 0.00 1CDR9380
+ATOM 9156 2HB CYS 19 1.142 -8.528 -2.033 1.00 0.00 1CDR9381
+ATOM 9157 N SER 20 1.631 -11.862 -0.445 1.00 0.00 1CDR9382
+ATOM 9158 CA SER 20 0.926 -13.077 -0.944 1.00 0.00 1CDR9383
+ATOM 9159 C SER 20 -0.103 -13.534 0.093 1.00 0.00 1CDR9384
+ATOM 9160 O SER 20 0.239 -14.058 1.134 1.00 0.00 1CDR9385
+ATOM 9161 CB SER 20 1.940 -14.195 -1.180 1.00 0.00 1CDR9386
+ATOM 9162 OG SER 20 2.965 -13.725 -2.046 1.00 0.00 1CDR9387
+ATOM 9163 H SER 20 2.123 -11.896 0.403 1.00 0.00 1CDR9388
+ATOM 9164 HA SER 20 0.423 -12.844 -1.871 1.00 0.00 1CDR9389
+ATOM 9165 1HB SER 20 2.377 -14.492 -0.242 1.00 0.00 1CDR9390
+ATOM 9166 2HB SER 20 1.440 -15.044 -1.628 1.00 0.00 1CDR9391
+ATOM 9167 HG SER 20 2.976 -14.285 -2.825 1.00 0.00 1CDR9392
+ATOM 9168 N SER 21 -1.363 -13.338 -0.186 1.00 0.00 1CDR9393
+ATOM 9169 CA SER 21 -2.420 -13.757 0.778 1.00 0.00 1CDR9394
+ATOM 9170 C SER 21 -3.742 -13.103 0.377 1.00 0.00 1CDR9395
+ATOM 9171 O SER 21 -4.766 -13.750 0.277 1.00 0.00 1CDR9396
+ATOM 9172 CB SER 21 -2.036 -13.308 2.189 1.00 0.00 1CDR9397
+ATOM 9173 OG SER 21 -3.205 -13.241 2.995 1.00 0.00 1CDR9398
+ATOM 9174 H SER 21 -1.614 -12.912 -1.032 1.00 0.00 1CDR9399
+ATOM 9175 HA SER 21 -2.526 -14.832 0.754 1.00 0.00 1CDR9400
+ATOM 9176 1HB SER 21 -1.348 -14.016 2.619 1.00 0.00 1CDR9401
+ATOM 9177 2HB SER 21 -1.565 -12.335 2.139 1.00 0.00 1CDR9402
+ATOM 9178 HG SER 21 -3.735 -14.022 2.814 1.00 0.00 1CDR9403
+ATOM 9179 N ASP 22 -3.722 -11.822 0.137 1.00 0.00 1CDR9404
+ATOM 9180 CA ASP 22 -4.966 -11.112 -0.266 1.00 0.00 1CDR9405
+ATOM 9181 C ASP 22 -4.599 -9.997 -1.246 1.00 0.00 1CDR9406
+ATOM 9182 O ASP 22 -5.178 -8.929 -1.236 1.00 0.00 1CDR9407
+ATOM 9183 CB ASP 22 -5.636 -10.509 0.969 1.00 0.00 1CDR9408
+ATOM 9184 CG ASP 22 -7.146 -10.419 0.739 1.00 0.00 1CDR9409
+ATOM 9185 OD1 ASP 22 -7.601 -10.918 -0.278 1.00 0.00 1CDR9410
+ATOM 9186 OD2 ASP 22 -7.822 -9.853 1.582 1.00 0.00 1CDR9411
+ATOM 9187 H ASP 22 -2.882 -11.324 0.219 1.00 0.00 1CDR9412
+ATOM 9188 HA ASP 22 -5.642 -11.806 -0.744 1.00 0.00 1CDR9413
+ATOM 9189 1HB ASP 22 -5.438 -11.136 1.827 1.00 0.00 1CDR9414
+ATOM 9190 2HB ASP 22 -5.242 -9.521 1.147 1.00 0.00 1CDR9415
+ATOM 9191 N PHE 23 -3.631 -10.239 -2.088 1.00 0.00 1CDR9416
+ATOM 9192 CA PHE 23 -3.213 -9.197 -3.066 1.00 0.00 1CDR9417
+ATOM 9193 C PHE 23 -2.983 -9.842 -4.434 1.00 0.00 1CDR9418
+ATOM 9194 O PHE 23 -2.679 -11.014 -4.537 1.00 0.00 1CDR9419
+ATOM 9195 CB PHE 23 -1.915 -8.546 -2.584 1.00 0.00 1CDR9420
+ATOM 9196 CG PHE 23 -1.940 -8.431 -1.079 1.00 0.00 1CDR9421
+ATOM 9197 CD1 PHE 23 -2.522 -7.312 -0.472 1.00 0.00 1CDR9422
+ATOM 9198 CD2 PHE 23 -1.383 -9.445 -0.291 1.00 0.00 1CDR9423
+ATOM 9199 CE1 PHE 23 -2.547 -7.207 0.923 1.00 0.00 1CDR9424
+ATOM 9200 CE2 PHE 23 -1.408 -9.340 1.105 1.00 0.00 1CDR9425
+ATOM 9201 CZ PHE 23 -1.991 -8.221 1.713 1.00 0.00 1CDR9426
+ATOM 9202 H PHE 23 -3.175 -11.106 -2.072 1.00 0.00 1CDR9427
+ATOM 9203 HA PHE 23 -3.985 -8.446 -3.146 1.00 0.00 1CDR9428
+ATOM 9204 1HB PHE 23 -1.073 -9.153 -2.885 1.00 0.00 1CDR9429
+ATOM 9205 2HB PHE 23 -1.821 -7.561 -3.017 1.00 0.00 1CDR9430
+ATOM 9206 HD1 PHE 23 -2.951 -6.530 -1.080 1.00 0.00 1CDR9431
+ATOM 9207 HD2 PHE 23 -0.934 -10.309 -0.759 1.00 0.00 1CDR9432
+ATOM 9208 HE1 PHE 23 -2.996 -6.344 1.392 1.00 0.00 1CDR9433
+ATOM 9209 HE2 PHE 23 -0.978 -10.123 1.713 1.00 0.00 1CDR9434
+ATOM 9210 HZ PHE 23 -2.010 -8.140 2.790 1.00 0.00 1CDR9435
+ATOM 9211 N ASP 24 -3.126 -9.086 -5.486 1.00 0.00 1CDR9436
+ATOM 9212 CA ASP 24 -2.913 -9.652 -6.847 1.00 0.00 1CDR9437
+ATOM 9213 C ASP 24 -2.526 -8.528 -7.809 1.00 0.00 1CDR9438
+ATOM 9214 O ASP 24 -2.685 -8.642 -9.008 1.00 0.00 1CDR9439
+ATOM 9215 CB ASP 24 -4.207 -10.312 -7.334 1.00 0.00 1CDR9440
+ATOM 9216 CG ASP 24 -3.893 -11.703 -7.890 1.00 0.00 1CDR9441
+ATOM 9217 OD1 ASP 24 -2.866 -11.845 -8.532 1.00 0.00 1CDR9442
+ATOM 9218 OD2 ASP 24 -4.686 -12.603 -7.664 1.00 0.00 1CDR9443
+ATOM 9219 H ASP 24 -3.371 -8.142 -5.381 1.00 0.00 1CDR9444
+ATOM 9220 HA ASP 24 -2.123 -10.386 -6.814 1.00 0.00 1CDR9445
+ATOM 9221 1HB ASP 24 -4.898 -10.401 -6.509 1.00 0.00 1CDR9446
+ATOM 9222 2HB ASP 24 -4.649 -9.708 -8.111 1.00 0.00 1CDR9447
+ATOM 9223 N ALA 25 -2.024 -7.438 -7.293 1.00 0.00 1CDR9448
+ATOM 9224 CA ALA 25 -1.633 -6.310 -8.184 1.00 0.00 1CDR9449
+ATOM 9225 C ALA 25 -1.081 -5.153 -7.347 1.00 0.00 1CDR9450
+ATOM 9226 O ALA 25 -1.793 -4.536 -6.582 1.00 0.00 1CDR9451
+ATOM 9227 CB ALA 25 -2.867 -5.832 -8.953 1.00 0.00 1CDR9452
+ATOM 9228 H ALA 25 -1.907 -7.361 -6.323 1.00 0.00 1CDR9453
+ATOM 9229 HA ALA 25 -0.881 -6.643 -8.883 1.00 0.00 1CDR9454
+ATOM 9230 1HB ALA 25 -3.670 -5.634 -8.257 1.00 0.00 1CDR9455
+ATOM 9231 2HB ALA 25 -2.627 -4.927 -9.491 1.00 0.00 1CDR9456
+ATOM 9232 3HB ALA 25 -3.176 -6.596 -9.651 1.00 0.00 1CDR9457
+ATOM 9233 N CYS 26 0.179 -4.840 -7.496 1.00 0.00 1CDR9458
+ATOM 9234 CA CYS 26 0.751 -3.709 -6.713 1.00 0.00 1CDR9459
+ATOM 9235 C CYS 26 -0.008 -2.438 -7.079 1.00 0.00 1CDR9460
+ATOM 9236 O CYS 26 -0.630 -2.355 -8.119 1.00 0.00 1CDR9461
+ATOM 9237 CB CYS 26 2.234 -3.529 -7.052 1.00 0.00 1CDR9462
+ATOM 9238 SG CYS 26 3.151 -5.041 -6.660 1.00 0.00 1CDR9463
+ATOM 9239 H CYS 26 0.740 -5.337 -8.127 1.00 0.00 1CDR9464
+ATOM 9240 HA CYS 26 0.637 -3.901 -5.656 1.00 0.00 1CDR9465
+ATOM 9241 1HB CYS 26 2.337 -3.310 -8.104 1.00 0.00 1CDR9466
+ATOM 9242 2HB CYS 26 2.634 -2.707 -6.476 1.00 0.00 1CDR9467
+ATOM 9243 N LEU 27 0.021 -1.454 -6.233 1.00 0.00 1CDR9468
+ATOM 9244 CA LEU 27 -0.721 -0.201 -6.543 1.00 0.00 1CDR9469
+ATOM 9245 C LEU 27 0.195 1.015 -6.402 1.00 0.00 1CDR9470
+ATOM 9246 O LEU 27 0.879 1.187 -5.413 1.00 0.00 1CDR9471
+ATOM 9247 CB LEU 27 -1.901 -0.073 -5.580 1.00 0.00 1CDR9472
+ATOM 9248 CG LEU 27 -2.603 1.269 -5.785 1.00 0.00 1CDR9473
+ATOM 9249 CD1 LEU 27 -3.729 1.104 -6.807 1.00 0.00 1CDR9474
+ATOM 9250 CD2 LEU 27 -3.192 1.735 -4.452 1.00 0.00 1CDR9475
+ATOM 9251 H LEU 27 0.517 -1.543 -5.392 1.00 0.00 1CDR9476
+ATOM 9252 HA LEU 27 -1.093 -0.251 -7.555 1.00 0.00 1CDR9477
+ATOM 9253 1HB LEU 27 -2.600 -0.873 -5.769 1.00 0.00 1CDR9478
+ATOM 9254 2HB LEU 27 -1.544 -0.139 -4.563 1.00 0.00 1CDR9479
+ATOM 9255 HG LEU 27 -1.893 2.000 -6.144 1.00 0.00 1CDR9480
+ATOM 9256 1HD1 LEU 27 -3.315 0.765 -7.746 1.00 0.00 1CDR9481
+ATOM 9257 2HD1 LEU 27 -4.441 0.377 -6.444 1.00 0.00 1CDR9482
+ATOM 9258 3HD1 LEU 27 -4.225 2.052 -6.954 1.00 0.00 1CDR9483
+ATOM 9259 1HD2 LEU 27 -2.941 1.022 -3.679 1.00 0.00 1CDR9484
+ATOM 9260 2HD2 LEU 27 -2.784 2.701 -4.194 1.00 0.00 1CDR9485
+ATOM 9261 3HD2 LEU 27 -4.266 1.810 -4.538 1.00 0.00 1CDR9486
+ATOM 9262 N ILE 28 0.193 1.867 -7.390 1.00 0.00 1CDR9487
+ATOM 9263 CA ILE 28 1.036 3.093 -7.337 1.00 0.00 1CDR9488
+ATOM 9264 C ILE 28 0.128 4.303 -7.562 1.00 0.00 1CDR9489
+ATOM 9265 O ILE 28 -0.182 4.660 -8.682 1.00 0.00 1CDR9490
+ATOM 9266 CB ILE 28 2.105 3.027 -8.433 1.00 0.00 1CDR9491
+ATOM 9267 CG1 ILE 28 2.688 4.422 -8.675 1.00 0.00 1CDR9492
+ATOM 9268 CG2 ILE 28 1.474 2.508 -9.726 1.00 0.00 1CDR9493
+ATOM 9269 CD1 ILE 28 3.304 4.953 -7.379 1.00 0.00 1CDR9494
+ATOM 9270 H ILE 28 -0.379 1.706 -8.169 1.00 0.00 1CDR9495
+ATOM 9271 HA ILE 28 1.509 3.167 -6.369 1.00 0.00 1CDR9496
+ATOM 9272 HB ILE 28 2.893 2.354 -8.124 1.00 0.00 1CDR9497
+ATOM 9273 1HG1 ILE 28 3.449 4.366 -9.439 1.00 0.00 1CDR9498
+ATOM 9274 2HG1 ILE 28 1.903 5.090 -8.997 1.00 0.00 1CDR9499
+ATOM 9275 1HG2 ILE 28 0.479 2.914 -9.830 1.00 0.00 1CDR9500
+ATOM 9276 2HG2 ILE 28 2.077 2.812 -10.568 1.00 0.00 1CDR9501
+ATOM 9277 3HG2 ILE 28 1.421 1.429 -9.694 1.00 0.00 1CDR9502
+ATOM 9278 1HD1 ILE 28 2.779 4.532 -6.533 1.00 0.00 1CDR9503
+ATOM 9279 2HD1 ILE 28 4.345 4.670 -7.333 1.00 0.00 1CDR9504
+ATOM 9280 3HD1 ILE 28 3.221 6.030 -7.355 1.00 0.00 1CDR9505
+ATOM 9281 N THR 29 -0.324 4.921 -6.506 1.00 0.00 1CDR9506
+ATOM 9282 CA THR 29 -1.236 6.089 -6.655 1.00 0.00 1CDR9507
+ATOM 9283 C THR 29 -0.472 7.393 -6.409 1.00 0.00 1CDR9508
+ATOM 9284 O THR 29 0.519 7.427 -5.706 1.00 0.00 1CDR9509
+ATOM 9285 CB THR 29 -2.380 5.954 -5.643 1.00 0.00 1CDR9510
+ATOM 9286 OG1 THR 29 -3.317 5.000 -6.121 1.00 0.00 1CDR9511
+ATOM 9287 CG2 THR 29 -3.078 7.302 -5.449 1.00 0.00 1CDR9512
+ATOM 9288 H THR 29 -0.077 4.604 -5.611 1.00 0.00 1CDR9513
+ATOM 9289 HA THR 29 -1.644 6.098 -7.654 1.00 0.00 1CDR9514
+ATOM 9290 HB THR 29 -1.982 5.621 -4.697 1.00 0.00 1CDR9515
+ATOM 9291 HG1 THR 29 -3.926 4.800 -5.407 1.00 0.00 1CDR9516
+ATOM 9292 1HG2 THR 29 -3.401 7.680 -6.406 1.00 0.00 1CDR9517
+ATOM 9293 2HG2 THR 29 -3.935 7.172 -4.805 1.00 0.00 1CDR9518
+ATOM 9294 3HG2 THR 29 -2.390 8.001 -4.998 1.00 0.00 1CDR9519
+ATOM 9295 N LYS 30 -0.940 8.467 -6.984 1.00 0.00 1CDR9520
+ATOM 9296 CA LYS 30 -0.267 9.782 -6.794 1.00 0.00 1CDR9521
+ATOM 9297 C LYS 30 -1.310 10.895 -6.920 1.00 0.00 1CDR9522
+ATOM 9298 O LYS 30 -1.555 11.410 -7.992 1.00 0.00 1CDR9523
+ATOM 9299 CB LYS 30 0.809 9.972 -7.867 1.00 0.00 1CDR9524
+ATOM 9300 CG LYS 30 2.132 9.374 -7.382 1.00 0.00 1CDR9525
+ATOM 9301 CD LYS 30 3.081 9.202 -8.570 1.00 0.00 1CDR9526
+ATOM 9302 CE LYS 30 3.560 10.575 -9.046 1.00 0.00 1CDR9527
+ATOM 9303 NZ LYS 30 2.799 10.970 -10.266 1.00 0.00 1CDR9528
+ATOM 9304 H LYS 30 -1.744 8.408 -7.540 1.00 0.00 1CDR9529
+ATOM 9305 HA LYS 30 0.185 9.820 -5.814 1.00 0.00 1CDR9530
+ATOM 9306 1HB LYS 30 0.502 9.478 -8.777 1.00 0.00 1CDR9531
+ATOM 9307 2HB LYS 30 0.944 11.027 -8.059 1.00 0.00 1CDR9532
+ATOM 9308 1HG LYS 30 2.580 10.036 -6.655 1.00 0.00 1CDR9533
+ATOM 9309 2HG LYS 30 1.948 8.412 -6.928 1.00 0.00 1CDR9534
+ATOM 9310 1HD LYS 30 3.932 8.607 -8.268 1.00 0.00 1CDR9535
+ATOM 9311 2HD LYS 30 2.563 8.705 -9.376 1.00 0.00 1CDR9536
+ATOM 9312 1HE LYS 30 3.395 11.304 -8.266 1.00 0.00 1CDR9537
+ATOM 9313 2HE LYS 30 4.614 10.528 -9.279 1.00 0.00 1CDR9538
+ATOM 9314 1HZ LYS 30 1.781 10.848 -10.095 1.00 0.00 1CDR9539
+ATOM 9315 2HZ LYS 30 2.998 11.967 -10.488 1.00 0.00 1CDR9540
+ATOM 9316 3HZ LYS 30 3.089 10.371 -11.064 1.00 0.00 1CDR9541
+ATOM 9317 N ALA 31 -1.929 11.265 -5.832 1.00 0.00 1CDR9542
+ATOM 9318 CA ALA 31 -2.960 12.340 -5.889 1.00 0.00 1CDR9543
+ATOM 9319 C ALA 31 -2.277 13.707 -5.798 1.00 0.00 1CDR9544
+ATOM 9320 O ALA 31 -2.465 14.443 -4.851 1.00 0.00 1CDR9545
+ATOM 9321 CB ALA 31 -3.930 12.179 -4.716 1.00 0.00 1CDR9546
+ATOM 9322 H ALA 31 -1.717 10.832 -4.978 1.00 0.00 1CDR9547
+ATOM 9323 HA ALA 31 -3.505 12.270 -6.819 1.00 0.00 1CDR9548
+ATOM 9324 1HB ALA 31 -3.372 12.020 -3.806 1.00 0.00 1CDR9549
+ATOM 9325 2HB ALA 31 -4.530 13.072 -4.621 1.00 0.00 1CDR9550
+ATOM 9326 3HB ALA 31 -4.574 11.331 -4.896 1.00 0.00 1CDR9551
+ATOM 9327 N GLY 32 -1.484 14.050 -6.776 1.00 0.00 1CDR9552
+ATOM 9328 CA GLY 32 -0.790 15.368 -6.744 1.00 0.00 1CDR9553
+ATOM 9329 C GLY 32 0.634 15.179 -6.218 1.00 0.00 1CDR9554
+ATOM 9330 O GLY 32 1.562 14.961 -6.971 1.00 0.00 1CDR9555
+ATOM 9331 H GLY 32 -1.346 13.443 -7.532 1.00 0.00 1CDR9556
+ATOM 9332 1HA GLY 32 -0.756 15.782 -7.742 1.00 0.00 1CDR9557
+ATOM 9333 2HA GLY 32 -1.325 16.041 -6.093 1.00 0.00 1CDR9558
+ATOM 9334 N LEU 33 0.814 15.263 -4.927 1.00 0.00 1CDR9559
+ATOM 9335 CA LEU 33 2.178 15.087 -4.352 1.00 0.00 1CDR9560
+ATOM 9336 C LEU 33 2.136 14.023 -3.254 1.00 0.00 1CDR9561
+ATOM 9337 O LEU 33 3.021 13.935 -2.426 1.00 0.00 1CDR9562
+ATOM 9338 CB LEU 33 2.654 16.415 -3.757 1.00 0.00 1CDR9563
+ATOM 9339 CG LEU 33 2.160 17.570 -4.627 1.00 0.00 1CDR9564
+ATOM 9340 CD1 LEU 33 1.041 18.318 -3.898 1.00 0.00 1CDR9565
+ATOM 9341 CD2 LEU 33 3.320 18.529 -4.903 1.00 0.00 1CDR9566
+ATOM 9342 H LEU 33 0.052 15.439 -4.337 1.00 0.00 1CDR9567
+ATOM 9343 HA LEU 33 2.860 14.776 -5.129 1.00 0.00 1CDR9568
+ATOM 9344 1HB LEU 33 2.261 16.521 -2.756 1.00 0.00 1CDR9569
+ATOM 9345 2HB LEU 33 3.733 16.428 -3.724 1.00 0.00 1CDR9570
+ATOM 9346 HG LEU 33 1.782 17.180 -5.561 1.00 0.00 1CDR9571
+ATOM 9347 1HD1 LEU 33 1.099 18.111 -2.840 1.00 0.00 1CDR9572
+ATOM 9348 2HD1 LEU 33 1.150 19.380 -4.064 1.00 0.00 1CDR9573
+ATOM 9349 3HD1 LEU 33 0.084 17.991 -4.277 1.00 0.00 1CDR9574
+ATOM 9350 1HD2 LEU 33 4.171 17.969 -5.261 1.00 0.00 1CDR9575
+ATOM 9351 2HD2 LEU 33 3.020 19.249 -5.650 1.00 0.00 1CDR9576
+ATOM 9352 3HD2 LEU 33 3.585 19.044 -3.992 1.00 0.00 1CDR9577
+ATOM 9353 N GLN 34 1.113 13.213 -3.239 1.00 0.00 1CDR9578
+ATOM 9354 CA GLN 34 1.014 12.155 -2.195 1.00 0.00 1CDR9579
+ATOM 9355 C GLN 34 1.032 10.777 -2.860 1.00 0.00 1CDR9580
+ATOM 9356 O GLN 34 0.102 10.395 -3.542 1.00 0.00 1CDR9581
+ATOM 9357 CB GLN 34 -0.291 12.326 -1.415 1.00 0.00 1CDR9582
+ATOM 9358 CG GLN 34 -0.389 13.760 -0.892 1.00 0.00 1CDR9583
+ATOM 9359 CD GLN 34 -1.836 14.242 -0.993 1.00 0.00 1CDR9584
+ATOM 9360 OE1 GLN 34 -2.734 13.626 -0.455 1.00 0.00 1CDR9585
+ATOM 9361 NE2 GLN 34 -2.105 15.327 -1.668 1.00 0.00 1CDR9586
+ATOM 9362 H GLN 34 0.409 13.301 -3.916 1.00 0.00 1CDR9587
+ATOM 9363 HA GLN 34 1.852 12.237 -1.518 1.00 0.00 1CDR9588
+ATOM 9364 1HB GLN 34 -1.129 12.121 -2.065 1.00 0.00 1CDR9589
+ATOM 9365 2HB GLN 34 -0.305 11.640 -0.582 1.00 0.00 1CDR9590
+ATOM 9366 1HG GLN 34 -0.070 13.790 0.140 1.00 0.00 1CDR9591
+ATOM 9367 2HG GLN 34 0.245 14.404 -1.483 1.00 0.00 1CDR9592
+ATOM 9368 1HE2 GLN 34 -3.030 15.645 -1.738 1.00 0.00 1CDR9593
+ATOM 9369 2HE2 GLN 34 -1.382 15.825 -2.104 1.00 0.00 1CDR9594
+ATOM 9370 N VAL 35 2.081 10.027 -2.664 1.00 0.00 1CDR9595
+ATOM 9371 CA VAL 35 2.153 8.674 -3.283 1.00 0.00 1CDR9596
+ATOM 9372 C VAL 35 1.626 7.636 -2.292 1.00 0.00 1CDR9597
+ATOM 9373 O VAL 35 2.006 7.616 -1.139 1.00 0.00 1CDR9598
+ATOM 9374 CB VAL 35 3.604 8.350 -3.637 1.00 0.00 1CDR9599
+ATOM 9375 CG1 VAL 35 3.700 6.906 -4.130 1.00 0.00 1CDR9600
+ATOM 9376 CG2 VAL 35 4.081 9.296 -4.741 1.00 0.00 1CDR9601
+ATOM 9377 H VAL 35 2.820 10.352 -2.108 1.00 0.00 1CDR9602
+ATOM 9378 HA VAL 35 1.550 8.656 -4.179 1.00 0.00 1CDR9603
+ATOM 9379 HB VAL 35 4.225 8.473 -2.760 1.00 0.00 1CDR9604
+ATOM 9380 1HG1 VAL 35 2.785 6.384 -3.894 1.00 0.00 1CDR9605
+ATOM 9381 2HG1 VAL 35 3.852 6.900 -5.199 1.00 0.00 1CDR9606
+ATOM 9382 3HG1 VAL 35 4.530 6.416 -3.645 1.00 0.00 1CDR9607
+ATOM 9383 1HG2 VAL 35 3.331 10.050 -4.919 1.00 0.00 1CDR9608
+ATOM 9384 2HG2 VAL 35 5.003 9.770 -4.435 1.00 0.00 1CDR9609
+ATOM 9385 3HG2 VAL 35 4.250 8.734 -5.649 1.00 0.00 1CDR9610
+ATOM 9386 N TYR 36 0.755 6.772 -2.732 1.00 0.00 1CDR9611
+ATOM 9387 CA TYR 36 0.207 5.736 -1.813 1.00 0.00 1CDR9612
+ATOM 9388 C TYR 36 0.703 4.357 -2.246 1.00 0.00 1CDR9613
+ATOM 9389 O TYR 36 0.035 3.644 -2.969 1.00 0.00 1CDR9614
+ATOM 9390 CB TYR 36 -1.321 5.767 -1.860 1.00 0.00 1CDR9615
+ATOM 9391 CG TYR 36 -1.820 7.038 -1.219 1.00 0.00 1CDR9616
+ATOM 9392 CD1 TYR 36 -1.606 8.270 -1.847 1.00 0.00 1CDR9617
+ATOM 9393 CD2 TYR 36 -2.497 6.983 0.004 1.00 0.00 1CDR9618
+ATOM 9394 CE1 TYR 36 -2.069 9.448 -1.252 1.00 0.00 1CDR9619
+ATOM 9395 CE2 TYR 36 -2.962 8.161 0.600 1.00 0.00 1CDR9620
+ATOM 9396 CZ TYR 36 -2.747 9.394 -0.029 1.00 0.00 1CDR9621
+ATOM 9397 OH TYR 36 -3.205 10.556 0.558 1.00 0.00 1CDR9622
+ATOM 9398 H TYR 36 0.461 6.804 -3.667 1.00 0.00 1CDR9623
+ATOM 9399 HA TYR 36 0.541 5.935 -0.806 1.00 0.00 1CDR9624
+ATOM 9400 1HB TYR 36 -1.649 5.730 -2.887 1.00 0.00 1CDR9625
+ATOM 9401 2HB TYR 36 -1.717 4.917 -1.326 1.00 0.00 1CDR9626
+ATOM 9402 HD1 TYR 36 -1.083 8.310 -2.792 1.00 0.00 1CDR9627
+ATOM 9403 HD2 TYR 36 -2.663 6.032 0.488 1.00 0.00 1CDR9628
+ATOM 9404 HE1 TYR 36 -1.904 10.398 -1.736 1.00 0.00 1CDR9629
+ATOM 9405 HE2 TYR 36 -3.485 8.120 1.543 1.00 0.00 1CDR9630
+ATOM 9406 HH TYR 36 -2.464 11.164 0.628 1.00 0.00 1CDR9631
+ATOM 9407 N ASN 37 1.870 3.976 -1.809 1.00 0.00 1CDR9632
+ATOM 9408 CA ASN 37 2.410 2.643 -2.192 1.00 0.00 1CDR9633
+ATOM 9409 C ASN 37 1.765 1.566 -1.320 1.00 0.00 1CDR9634
+ATOM 9410 O ASN 37 2.034 1.467 -0.138 1.00 0.00 1CDR9635
+ATOM 9411 CB ASN 37 3.927 2.625 -1.986 1.00 0.00 1CDR9636
+ATOM 9412 CG ASN 37 4.535 3.910 -2.548 1.00 0.00 1CDR9637
+ATOM 9413 OD1 ASN 37 4.172 4.347 -3.623 1.00 0.00 1CDR9638
+ATOM 9414 ND2 ASN 37 5.450 4.539 -1.863 1.00 0.00 1CDR9639
+ATOM 9415 H ASN 37 2.389 4.569 -1.226 1.00 0.00 1CDR9640
+ATOM 9416 HA ASN 37 2.185 2.447 -3.230 1.00 0.00 1CDR9641
+ATOM 9417 1HB ASN 37 4.145 2.553 -0.930 1.00 0.00 1CDR9642
+ATOM 9418 2HB ASN 37 4.350 1.774 -2.500 1.00 0.00 1CDR9643
+ATOM 9419 1HD2 ASN 37 5.845 5.364 -2.215 1.00 0.00 1CDR9644
+ATOM 9420 2HD2 ASN 37 5.743 4.187 -0.997 1.00 0.00 1CDR9645
+ATOM 9421 N LYS 38 0.911 0.760 -1.888 1.00 0.00 1CDR9646
+ATOM 9422 CA LYS 38 0.248 -0.305 -1.085 1.00 0.00 1CDR9647
+ATOM 9423 C LYS 38 -0.137 -1.476 -1.987 1.00 0.00 1CDR9648
+ATOM 9424 O LYS 38 -0.188 -1.361 -3.197 1.00 0.00 1CDR9649
+ATOM 9425 CB LYS 38 -1.011 0.267 -0.429 1.00 0.00 1CDR9650
+ATOM 9426 CG LYS 38 -0.792 0.385 1.081 1.00 0.00 1CDR9651
+ATOM 9427 CD LYS 38 -2.069 0.904 1.744 1.00 0.00 1CDR9652
+ATOM 9428 CE LYS 38 -2.099 2.432 1.670 1.00 0.00 1CDR9653
+ATOM 9429 NZ LYS 38 -1.835 3.001 3.022 1.00 0.00 1CDR9654
+ATOM 9430 H LYS 38 0.704 0.858 -2.841 1.00 0.00 1CDR9655
+ATOM 9431 HA LYS 38 0.922 -0.655 -0.319 1.00 0.00 1CDR9656
+ATOM 9432 1HB LYS 38 -1.218 1.244 -0.841 1.00 0.00 1CDR9657
+ATOM 9433 2HB LYS 38 -1.846 -0.390 -0.620 1.00 0.00 1CDR9658
+ATOM 9434 1HG LYS 38 -0.545 -0.586 1.485 1.00 0.00 1CDR9659
+ATOM 9435 2HG LYS 38 0.017 1.073 1.275 1.00 0.00 1CDR9660
+ATOM 9436 1HD LYS 38 -2.931 0.500 1.232 1.00 0.00 1CDR9661
+ATOM 9437 2HD LYS 38 -2.088 0.597 2.779 1.00 0.00 1CDR9662
+ATOM 9438 1HE LYS 38 -1.341 2.774 0.981 1.00 0.00 1CDR9663
+ATOM 9439 2HE LYS 38 -3.070 2.757 1.325 1.00 0.00 1CDR9664
+ATOM 9440 1HZ LYS 38 -1.343 2.293 3.605 1.00 0.00 1CDR9665
+ATOM 9441 2HZ LYS 38 -1.243 3.851 2.932 1.00 0.00 1CDR9666
+ATOM 9442 3HZ LYS 38 -2.737 3.256 3.472 1.00 0.00 1CDR9667
+ATOM 9443 N CYS 39 -0.413 -2.604 -1.396 1.00 0.00 1CDR9668
+ATOM 9444 CA CYS 39 -0.805 -3.799 -2.197 1.00 0.00 1CDR9669
+ATOM 9445 C CYS 39 -2.267 -3.658 -2.617 1.00 0.00 1CDR9670
+ATOM 9446 O CYS 39 -3.083 -3.141 -1.881 1.00 0.00 1CDR9671
+ATOM 9447 CB CYS 39 -0.645 -5.062 -1.347 1.00 0.00 1CDR9672
+ATOM 9448 SG CYS 39 1.110 -5.355 -1.017 1.00 0.00 1CDR9673
+ATOM 9449 H CYS 39 -0.367 -2.660 -0.421 1.00 0.00 1CDR9674
+ATOM 9450 HA CYS 39 -0.180 -3.871 -3.075 1.00 0.00 1CDR9675
+ATOM 9451 1HB CYS 39 -1.170 -4.933 -0.412 1.00 0.00 1CDR9676
+ATOM 9452 2HB CYS 39 -1.059 -5.907 -1.877 1.00 0.00 1CDR9677
+ATOM 9453 N TRP 40 -2.612 -4.100 -3.795 1.00 0.00 1CDR9678
+ATOM 9454 CA TRP 40 -4.019 -3.970 -4.242 1.00 0.00 1CDR9679
+ATOM 9455 C TRP 40 -4.377 -5.130 -5.177 1.00 0.00 1CDR9680
+ATOM 9456 O TRP 40 -3.515 -5.821 -5.684 1.00 0.00 1CDR9681
+ATOM 9457 CB TRP 40 -4.168 -2.641 -4.969 1.00 0.00 1CDR9682
+ATOM 9458 CG TRP 40 -5.544 -2.125 -4.759 1.00 0.00 1CDR9683
+ATOM 9459 CD1 TRP 40 -6.622 -2.523 -5.455 1.00 0.00 1CDR9684
+ATOM 9460 CD2 TRP 40 -6.007 -1.135 -3.800 1.00 0.00 1CDR9685
+ATOM 9461 NE1 TRP 40 -7.731 -1.834 -4.990 1.00 0.00 1CDR9686
+ATOM 9462 CE2 TRP 40 -7.400 -0.967 -3.966 1.00 0.00 1CDR9687
+ATOM 9463 CE3 TRP 40 -5.357 -0.374 -2.812 1.00 0.00 1CDR9688
+ATOM 9464 CZ2 TRP 40 -8.126 -0.073 -3.177 1.00 0.00 1CDR9689
+ATOM 9465 CZ3 TRP 40 -6.083 0.525 -2.017 1.00 0.00 1CDR9690
+ATOM 9466 CH2 TRP 40 -7.465 0.676 -2.199 1.00 0.00 1CDR9691
+ATOM 9467 H TRP 40 -1.949 -4.506 -4.388 1.00 0.00 1CDR9692
+ATOM 9468 HA TRP 40 -4.671 -3.985 -3.382 1.00 0.00 1CDR9693
+ATOM 9469 1HB TRP 40 -3.455 -1.935 -4.572 1.00 0.00 1CDR9694
+ATOM 9470 2HB TRP 40 -3.990 -2.782 -6.025 1.00 0.00 1CDR9695
+ATOM 9471 HD1 TRP 40 -6.615 -3.259 -6.247 1.00 0.00 1CDR9696
+ATOM 9472 HE1 TRP 40 -8.643 -1.934 -5.329 1.00 0.00 1CDR9697
+ATOM 9473 HE3 TRP 40 -4.292 -0.483 -2.664 1.00 0.00 1CDR9698
+ATOM 9474 HZ2 TRP 40 -9.191 0.039 -3.320 1.00 0.00 1CDR9699
+ATOM 9475 HZ3 TRP 40 -5.576 1.105 -1.261 1.00 0.00 1CDR9700
+ATOM 9476 HH2 TRP 40 -8.016 1.370 -1.584 1.00 0.00 1CDR9701
+ATOM 9477 N LYS 41 -5.645 -5.356 -5.400 1.00 0.00 1CDR9702
+ATOM 9478 CA LYS 41 -6.057 -6.478 -6.291 1.00 0.00 1CDR9703
+ATOM 9479 C LYS 41 -6.382 -5.947 -7.689 1.00 0.00 1CDR9704
+ATOM 9480 O LYS 41 -6.536 -4.760 -7.894 1.00 0.00 1CDR9705
+ATOM 9481 CB LYS 41 -7.295 -7.164 -5.709 1.00 0.00 1CDR9706
+ATOM 9482 CG LYS 41 -6.921 -8.574 -5.248 1.00 0.00 1CDR9707
+ATOM 9483 CD LYS 41 -7.932 -9.058 -4.207 1.00 0.00 1CDR9708
+ATOM 9484 CE LYS 41 -7.281 -9.054 -2.824 1.00 0.00 1CDR9709
+ATOM 9485 NZ LYS 41 -8.273 -8.590 -1.813 1.00 0.00 1CDR9710
+ATOM 9486 H LYS 41 -6.325 -4.793 -4.974 1.00 0.00 1CDR9711
+ATOM 9487 HA LYS 41 -5.251 -7.194 -6.360 1.00 0.00 1CDR9712
+ATOM 9488 1HB LYS 41 -7.662 -6.592 -4.869 1.00 0.00 1CDR9713
+ATOM 9489 2HB LYS 41 -8.063 -7.226 -6.466 1.00 0.00 1CDR9714
+ATOM 9490 1HG LYS 41 -6.927 -9.243 -6.095 1.00 0.00 1CDR9715
+ATOM 9491 2HG LYS 41 -5.937 -8.558 -4.807 1.00 0.00 1CDR9716
+ATOM 9492 1HD LYS 41 -8.789 -8.400 -4.206 1.00 0.00 1CDR9717
+ATOM 9493 2HD LYS 41 -8.248 -10.061 -4.452 1.00 0.00 1CDR9718
+ATOM 9494 1HE LYS 41 -6.954 -10.053 -2.577 1.00 0.00 1CDR9719
+ATOM 9495 2HE LYS 41 -6.433 -8.387 -2.828 1.00 0.00 1CDR9720
+ATOM 9496 1HZ LYS 41 -8.632 -7.652 -2.084 1.00 0.00 1CDR9721
+ATOM 9497 2HZ LYS 41 -9.063 -9.264 -1.767 1.00 0.00 1CDR9722
+ATOM 9498 3HZ LYS 41 -7.816 -8.532 -0.881 1.00 0.00 1CDR9723
+ATOM 9499 N PHE 42 -6.492 -6.824 -8.651 1.00 0.00 1CDR9724
+ATOM 9500 CA PHE 42 -6.812 -6.386 -10.036 1.00 0.00 1CDR9725
+ATOM 9501 C PHE 42 -8.317 -6.159 -10.159 1.00 0.00 1CDR9726
+ATOM 9502 O PHE 42 -8.767 -5.286 -10.872 1.00 0.00 1CDR9727
+ATOM 9503 CB PHE 42 -6.377 -7.466 -11.029 1.00 0.00 1CDR9728
+ATOM 9504 CG PHE 42 -6.218 -6.855 -12.400 1.00 0.00 1CDR9729
+ATOM 9505 CD1 PHE 42 -5.289 -5.827 -12.605 1.00 0.00 1CDR9730
+ATOM 9506 CD2 PHE 42 -6.998 -7.315 -13.467 1.00 0.00 1CDR9731
+ATOM 9507 CE1 PHE 42 -5.141 -5.260 -13.876 1.00 0.00 1CDR9732
+ATOM 9508 CE2 PHE 42 -6.851 -6.747 -14.739 1.00 0.00 1CDR9733
+ATOM 9509 CZ PHE 42 -5.922 -5.719 -14.943 1.00 0.00 1CDR9734
+ATOM 9510 H PHE 42 -6.371 -7.775 -8.458 1.00 0.00 1CDR9735
+ATOM 9511 HA PHE 42 -6.289 -5.466 -10.253 1.00 0.00 1CDR9736
+ATOM 9512 1HB PHE 42 -5.436 -7.890 -10.710 1.00 0.00 1CDR9737
+ATOM 9513 2HB PHE 42 -7.128 -8.242 -11.067 1.00 0.00 1CDR9738
+ATOM 9514 HD1 PHE 42 -4.686 -5.472 -11.782 1.00 0.00 1CDR9739
+ATOM 9515 HD2 PHE 42 -7.714 -8.107 -13.310 1.00 0.00 1CDR9740
+ATOM 9516 HE1 PHE 42 -4.424 -4.467 -14.034 1.00 0.00 1CDR9741
+ATOM 9517 HE2 PHE 42 -7.454 -7.101 -15.562 1.00 0.00 1CDR9742
+ATOM 9518 HZ PHE 42 -5.808 -5.281 -15.924 1.00 0.00 1CDR9743
+ATOM 9519 N GLU 43 -9.100 -6.944 -9.469 1.00 0.00 1CDR9744
+ATOM 9520 CA GLU 43 -10.575 -6.773 -9.552 1.00 0.00 1CDR9745
+ATOM 9521 C GLU 43 -10.965 -5.442 -8.908 1.00 0.00 1CDR9746
+ATOM 9522 O GLU 43 -12.008 -4.886 -9.190 1.00 0.00 1CDR9747
+ATOM 9523 CB GLU 43 -11.270 -7.927 -8.823 1.00 0.00 1CDR9748
+ATOM 9524 CG GLU 43 -10.846 -7.937 -7.354 1.00 0.00 1CDR9749
+ATOM 9525 CD GLU 43 -10.225 -9.293 -7.010 1.00 0.00 1CDR9750
+ATOM 9526 OE1 GLU 43 -9.397 -9.753 -7.779 1.00 0.00 1CDR9751
+ATOM 9527 OE2 GLU 43 -10.589 -9.847 -5.987 1.00 0.00 1CDR9752
+ATOM 9528 H GLU 43 -8.718 -7.646 -8.902 1.00 0.00 1CDR9753
+ATOM 9529 HA GLU 43 -10.872 -6.772 -10.588 1.00 0.00 1CDR9754
+ATOM 9530 1HB GLU 43 -12.341 -7.800 -8.888 1.00 0.00 1CDR9755
+ATOM 9531 2HB GLU 43 -10.991 -8.863 -9.283 1.00 0.00 1CDR9756
+ATOM 9532 1HG GLU 43 -10.121 -7.154 -7.182 1.00 0.00 1CDR9757
+ATOM 9533 2HG GLU 43 -11.710 -7.773 -6.729 1.00 0.00 1CDR9758
+ATOM 9534 N HIS 44 -10.128 -4.922 -8.052 1.00 0.00 1CDR9759
+ATOM 9535 CA HIS 44 -10.438 -3.621 -7.395 1.00 0.00 1CDR9760
+ATOM 9536 C HIS 44 -9.643 -2.511 -8.086 1.00 0.00 1CDR9761
+ATOM 9537 O HIS 44 -9.466 -1.435 -7.551 1.00 0.00 1CDR9762
+ATOM 9538 CB HIS 44 -10.042 -3.684 -5.919 1.00 0.00 1CDR9763
+ATOM 9539 CG HIS 44 -10.716 -4.855 -5.260 1.00 0.00 1CDR9764
+ATOM 9540 ND1 HIS 44 -10.371 -5.286 -3.989 1.00 0.00 1CDR9765
+ATOM 9541 CD2 HIS 44 -11.716 -5.694 -5.681 1.00 0.00 1CDR9766
+ATOM 9542 CE1 HIS 44 -11.153 -6.341 -3.691 1.00 0.00 1CDR9767
+ATOM 9543 NE2 HIS 44 -11.992 -6.631 -4.688 1.00 0.00 1CDR9768
+ATOM 9544 H HIS 44 -9.290 -5.386 -7.846 1.00 0.00 1CDR9769
+ATOM 9545 HA HIS 44 -11.494 -3.414 -7.479 1.00 0.00 1CDR9770
+ATOM 9546 1HB HIS 44 -8.970 -3.796 -5.840 1.00 0.00 1CDR9771
+ATOM 9547 2HB HIS 44 -10.345 -2.772 -5.427 1.00 0.00 1CDR9772
+ATOM 9548 HD1 HIS 44 -9.681 -4.896 -3.411 1.00 0.00 1CDR9773
+ATOM 9549 HD2 HIS 44 -12.211 -5.639 -6.639 1.00 0.00 1CDR9774
+ATOM 9550 HE1 HIS 44 -11.107 -6.885 -2.760 1.00 0.00 1CDR9775
+ATOM 9551 N CYS 45 -9.160 -2.768 -9.271 1.00 0.00 1CDR9776
+ATOM 9552 CA CYS 45 -8.371 -1.733 -9.996 1.00 0.00 1CDR9777
+ATOM 9553 C CYS 45 -9.289 -0.934 -10.918 1.00 0.00 1CDR9778
+ATOM 9554 O CYS 45 -9.390 -1.204 -12.100 1.00 0.00 1CDR9779
+ATOM 9555 CB CYS 45 -7.279 -2.408 -10.825 1.00 0.00 1CDR9780
+ATOM 9556 SG CYS 45 -5.896 -2.853 -9.747 1.00 0.00 1CDR9781
+ATOM 9557 H CYS 45 -9.312 -3.644 -9.683 1.00 0.00 1CDR9782
+ATOM 9558 HA CYS 45 -7.914 -1.064 -9.279 1.00 0.00 1CDR9783
+ATOM 9559 1HB CYS 45 -7.677 -3.301 -11.286 1.00 0.00 1CDR9784
+ATOM 9560 2HB CYS 45 -6.935 -1.729 -11.591 1.00 0.00 1CDR9785
+ATOM 9561 N ASN 46 -9.958 0.050 -10.389 1.00 0.00 1CDR9786
+ATOM 9562 CA ASN 46 -10.869 0.873 -11.233 1.00 0.00 1CDR9787
+ATOM 9563 C ASN 46 -10.968 2.276 -10.636 1.00 0.00 1CDR9788
+ATOM 9564 O ASN 46 -10.403 2.560 -9.598 1.00 0.00 1CDR9789
+ATOM 9565 CB ASN 46 -12.260 0.232 -11.268 1.00 0.00 1CDR9790
+ATOM 9566 CG ASN 46 -12.132 -1.286 -11.130 1.00 0.00 1CDR9791
+ATOM 9567 OD1 ASN 46 -12.151 -2.001 -12.112 1.00 0.00 1CDR9792
+ATOM 9568 ND2 ASN 46 -12.000 -1.813 -9.943 1.00 0.00 1CDR9793
+ATOM 9569 H ASN 46 -9.859 0.252 -9.435 1.00 0.00 1CDR9794
+ATOM 9570 HA ASN 46 -10.473 0.934 -12.236 1.00 0.00 1CDR9795
+ATOM 9571 1HB ASN 46 -12.854 0.620 -10.454 1.00 0.00 1CDR9796
+ATOM 9572 2HB ASN 46 -12.739 0.467 -12.206 1.00 0.00 1CDR9797
+ATOM 9573 1HD2 ASN 46 -11.917 -2.785 -9.844 1.00 0.00 1CDR9798
+ATOM 9574 2HD2 ASN 46 -11.983 -1.236 -9.150 1.00 0.00 1CDR9799
+ATOM 9575 N PHE 47 -11.680 3.159 -11.280 1.00 0.00 1CDR9800
+ATOM 9576 CA PHE 47 -11.809 4.540 -10.740 1.00 0.00 1CDR9801
+ATOM 9577 C PHE 47 -12.966 4.580 -9.742 1.00 0.00 1CDR9802
+ATOM 9578 O PHE 47 -13.821 5.443 -9.797 1.00 0.00 1CDR9803
+ATOM 9579 CB PHE 47 -12.082 5.517 -11.886 1.00 0.00 1CDR9804
+ATOM 9580 CG PHE 47 -11.282 6.778 -11.669 1.00 0.00 1CDR9805
+ATOM 9581 CD1 PHE 47 -11.597 7.632 -10.605 1.00 0.00 1CDR9806
+ATOM 9582 CD2 PHE 47 -10.222 7.094 -12.529 1.00 0.00 1CDR9807
+ATOM 9583 CE1 PHE 47 -10.855 8.801 -10.401 1.00 0.00 1CDR9808
+ATOM 9584 CE2 PHE 47 -9.480 8.263 -12.325 1.00 0.00 1CDR9809
+ATOM 9585 CZ PHE 47 -9.795 9.117 -11.261 1.00 0.00 1CDR9810
+ATOM 9586 H PHE 47 -12.128 2.913 -12.117 1.00 0.00 1CDR9811
+ATOM 9587 HA PHE 47 -10.893 4.817 -10.241 1.00 0.00 1CDR9812
+ATOM 9588 1HB PHE 47 -11.792 5.063 -12.823 1.00 0.00 1CDR9813
+ATOM 9589 2HB PHE 47 -13.133 5.758 -11.913 1.00 0.00 1CDR9814
+ATOM 9590 HD1 PHE 47 -12.414 7.389 -9.942 1.00 0.00 1CDR9815
+ATOM 9591 HD2 PHE 47 -9.979 6.436 -13.350 1.00 0.00 1CDR9816
+ATOM 9592 HE1 PHE 47 -11.098 9.459 -9.580 1.00 0.00 1CDR9817
+ATOM 9593 HE2 PHE 47 -8.663 8.506 -12.989 1.00 0.00 1CDR9818
+ATOM 9594 HZ PHE 47 -9.223 10.018 -11.105 1.00 0.00 1CDR9819
+ATOM 9595 N ASN 48 -12.998 3.648 -8.828 1.00 0.00 1CDR9820
+ATOM 9596 CA ASN 48 -14.096 3.620 -7.822 1.00 0.00 1CDR9821
+ATOM 9597 C ASN 48 -13.705 2.691 -6.668 1.00 0.00 1CDR9822
+ATOM 9598 O ASN 48 -14.007 2.951 -5.521 1.00 0.00 1CDR9823
+ATOM 9599 CB ASN 48 -15.375 3.102 -8.483 1.00 0.00 1CDR9824
+ATOM 9600 CG ASN 48 -16.592 3.773 -7.842 1.00 0.00 1CDR9825
+ATOM 9601 OD1 ASN 48 -17.109 4.741 -8.362 1.00 0.00 1CDR9826
+ATOM 9602 ND2 ASN 48 -17.072 3.297 -6.726 1.00 0.00 1CDR9827
+ATOM 9603 H ASN 48 -12.298 2.963 -8.806 1.00 0.00 1CDR9828
+ATOM 9604 HA ASN 48 -14.263 4.617 -7.443 1.00 0.00 1CDR9829
+ATOM 9605 1HB ASN 48 -15.352 3.330 -9.539 1.00 0.00 1CDR9830
+ATOM 9606 2HB ASN 48 -15.444 2.034 -8.347 1.00 0.00 1CDR9831
+ATOM 9607 1HD2 ASN 48 -17.852 3.720 -6.309 1.00 0.00 1CDR9832
+ATOM 9608 2HD2 ASN 48 -16.655 2.516 -6.306 1.00 0.00 1CDR9833
+ATOM 9609 N ASP 49 -13.038 1.607 -6.966 1.00 0.00 1CDR9834
+ATOM 9610 CA ASP 49 -12.631 0.663 -5.888 1.00 0.00 1CDR9835
+ATOM 9611 C ASP 49 -11.539 1.302 -5.027 1.00 0.00 1CDR9836
+ATOM 9612 O ASP 49 -11.595 1.272 -3.814 1.00 0.00 1CDR9837
+ATOM 9613 CB ASP 49 -12.095 -0.626 -6.518 1.00 0.00 1CDR9838
+ATOM 9614 CG ASP 49 -13.237 -1.631 -6.681 1.00 0.00 1CDR9839
+ATOM 9615 OD1 ASP 49 -13.978 -1.817 -5.728 1.00 0.00 1CDR9840
+ATOM 9616 OD2 ASP 49 -13.352 -2.199 -7.755 1.00 0.00 1CDR9841
+ATOM 9617 H ASP 49 -12.807 1.414 -7.899 1.00 0.00 1CDR9842
+ATOM 9618 HA ASP 49 -13.487 0.431 -5.271 1.00 0.00 1CDR9843
+ATOM 9619 1HB ASP 49 -11.670 -0.403 -7.486 1.00 0.00 1CDR9844
+ATOM 9620 2HB ASP 49 -11.334 -1.049 -5.880 1.00 0.00 1CDR9845
+ATOM 9621 N VAL 50 -10.542 1.878 -5.644 1.00 0.00 1CDR9846
+ATOM 9622 CA VAL 50 -9.446 2.515 -4.856 1.00 0.00 1CDR9847
+ATOM 9623 C VAL 50 -9.941 3.831 -4.250 1.00 0.00 1CDR9848
+ATOM 9624 O VAL 50 -9.674 4.137 -3.106 1.00 0.00 1CDR9849
+ATOM 9625 CB VAL 50 -8.254 2.799 -5.773 1.00 0.00 1CDR9850
+ATOM 9626 CG1 VAL 50 -7.169 3.534 -4.984 1.00 0.00 1CDR9851
+ATOM 9627 CG2 VAL 50 -7.690 1.479 -6.302 1.00 0.00 1CDR9852
+ATOM 9628 H VAL 50 -10.512 1.890 -6.623 1.00 0.00 1CDR9853
+ATOM 9629 HA VAL 50 -9.139 1.848 -4.064 1.00 0.00 1CDR9854
+ATOM 9630 HB VAL 50 -8.576 3.414 -6.601 1.00 0.00 1CDR9855
+ATOM 9631 1HG1 VAL 50 -7.254 3.286 -3.936 1.00 0.00 1CDR9856
+ATOM 9632 2HG1 VAL 50 -6.196 3.237 -5.347 1.00 0.00 1CDR9857
+ATOM 9633 3HG1 VAL 50 -7.290 4.600 -5.112 1.00 0.00 1CDR9858
+ATOM 9634 1HG2 VAL 50 -8.063 0.661 -5.703 1.00 0.00 1CDR9859
+ATOM 9635 2HG2 VAL 50 -7.995 1.342 -7.329 1.00 0.00 1CDR9860
+ATOM 9636 3HG2 VAL 50 -6.611 1.502 -6.247 1.00 0.00 1CDR9861
+ATOM 9637 N THR 51 -10.655 4.615 -5.012 1.00 0.00 1CDR9862
+ATOM 9638 CA THR 51 -11.158 5.915 -4.482 1.00 0.00 1CDR9863
+ATOM 9639 C THR 51 -12.130 5.663 -3.325 1.00 0.00 1CDR9864
+ATOM 9640 O THR 51 -12.513 6.574 -2.617 1.00 0.00 1CDR9865
+ATOM 9641 CB THR 51 -11.881 6.673 -5.598 1.00 0.00 1CDR9866
+ATOM 9642 OG1 THR 51 -12.628 5.755 -6.384 1.00 0.00 1CDR9867
+ATOM 9643 CG2 THR 51 -10.854 7.387 -6.480 1.00 0.00 1CDR9868
+ATOM 9644 H THR 51 -10.855 4.353 -5.934 1.00 0.00 1CDR9869
+ATOM 9645 HA THR 51 -10.326 6.505 -4.129 1.00 0.00 1CDR9870
+ATOM 9646 HB THR 51 -12.548 7.403 -5.165 1.00 0.00 1CDR9871
+ATOM 9647 HG1 THR 51 -12.029 5.349 -7.015 1.00 0.00 1CDR9872
+ATOM 9648 1HG2 THR 51 -10.071 6.695 -6.752 1.00 0.00 1CDR9873
+ATOM 9649 2HG2 THR 51 -11.339 7.753 -7.373 1.00 0.00 1CDR9874
+ATOM 9650 3HG2 THR 51 -10.429 8.217 -5.936 1.00 0.00 1CDR9875
+ATOM 9651 N THR 52 -12.532 4.439 -3.126 1.00 0.00 1CDR9876
+ATOM 9652 CA THR 52 -13.478 4.136 -2.018 1.00 0.00 1CDR9877
+ATOM 9653 C THR 52 -12.708 3.569 -0.824 1.00 0.00 1CDR9878
+ATOM 9654 O THR 52 -12.907 3.973 0.304 1.00 0.00 1CDR9879
+ATOM 9655 CB THR 52 -14.495 3.101 -2.493 1.00 0.00 1CDR9880
+ATOM 9656 OG1 THR 52 -15.232 3.629 -3.586 1.00 0.00 1CDR9881
+ATOM 9657 CG2 THR 52 -15.446 2.758 -1.349 1.00 0.00 1CDR9882
+ATOM 9658 H THR 52 -12.217 3.717 -3.707 1.00 0.00 1CDR9883
+ATOM 9659 HA THR 52 -13.992 5.038 -1.723 1.00 0.00 1CDR9884
+ATOM 9660 HB THR 52 -13.978 2.208 -2.804 1.00 0.00 1CDR9885
+ATOM 9661 HG1 THR 52 -15.581 2.891 -4.092 1.00 0.00 1CDR9886
+ATOM 9662 1HG2 THR 52 -14.944 2.919 -0.406 1.00 0.00 1CDR9887
+ATOM 9663 2HG2 THR 52 -16.319 3.391 -1.406 1.00 0.00 1CDR9888
+ATOM 9664 3HG2 THR 52 -15.744 1.723 -1.427 1.00 0.00 1CDR9889
+ATOM 9665 N ARG 53 -11.832 2.632 -1.064 1.00 0.00 1CDR9890
+ATOM 9666 CA ARG 53 -11.053 2.037 0.056 1.00 0.00 1CDR9891
+ATOM 9667 C ARG 53 -10.294 3.145 0.786 1.00 0.00 1CDR9892
+ATOM 9668 O ARG 53 -10.298 3.218 1.998 1.00 0.00 1CDR9893
+ATOM 9669 CB ARG 53 -10.060 1.018 -0.504 1.00 0.00 1CDR9894
+ATOM 9670 CG ARG 53 -10.659 -0.386 -0.399 1.00 0.00 1CDR9895
+ATOM 9671 CD ARG 53 -11.928 -0.462 -1.247 1.00 0.00 1CDR9896
+ATOM 9672 NE ARG 53 -13.079 -0.848 -0.385 1.00 0.00 1CDR9897
+ATOM 9673 CZ ARG 53 -14.271 -0.963 -0.901 1.00 0.00 1CDR9898
+ATOM 9674 NH1 ARG 53 -14.409 -1.165 -2.183 1.00 0.00 1CDR9899
+ATOM 9675 NH2 ARG 53 -15.325 -0.875 -0.137 1.00 0.00 1CDR9900
+ATOM 9676 H ARG 53 -11.689 2.318 -1.981 1.00 0.00 1CDR9901
+ATOM 9677 HA ARG 53 -11.725 1.546 0.742 1.00 0.00 1CDR9902
+ATOM 9678 1HB ARG 53 -9.859 1.246 -1.541 1.00 0.00 1CDR9903
+ATOM 9679 2HB ARG 53 -9.142 1.060 0.061 1.00 0.00 1CDR9904
+ATOM 9680 1HG ARG 53 -9.941 -1.110 -0.758 1.00 0.00 1CDR9905
+ATOM 9681 2HG ARG 53 -10.902 -0.597 0.631 1.00 0.00 1CDR9906
+ATOM 9682 1HD ARG 53 -12.121 0.501 -1.695 1.00 0.00 1CDR9907
+ATOM 9683 2HD ARG 53 -11.797 -1.201 -2.025 1.00 0.00 1CDR9908
+ATOM 9684 HE ARG 53 -12.941 -1.013 0.572 1.00 0.00 1CDR9909
+ATOM 9685 1HH1 ARG 53 -13.601 -1.232 -2.770 1.00 0.00 1CDR9910
+ATOM 9686 2HH1 ARG 53 -15.324 -1.253 -2.580 1.00 0.00 1CDR9911
+ATOM 9687 1HH2 ARG 53 -15.218 -0.720 0.846 1.00 0.00 1CDR9912
+ATOM 9688 2HH2 ARG 53 -16.239 -0.963 -0.532 1.00 0.00 1CDR9913
+ATOM 9689 N LEU 54 -9.644 4.009 0.056 1.00 0.00 1CDR9914
+ATOM 9690 CA LEU 54 -8.890 5.113 0.706 1.00 0.00 1CDR9915
+ATOM 9691 C LEU 54 -9.864 6.220 1.116 1.00 0.00 1CDR9916
+ATOM 9692 O LEU 54 -9.507 7.146 1.816 1.00 0.00 1CDR9917
+ATOM 9693 CB LEU 54 -7.864 5.667 -0.278 1.00 0.00 1CDR9918
+ATOM 9694 CG LEU 54 -7.109 4.504 -0.919 1.00 0.00 1CDR9919
+ATOM 9695 CD1 LEU 54 -6.457 4.970 -2.221 1.00 0.00 1CDR9920
+ATOM 9696 CD2 LEU 54 -6.029 4.008 0.044 1.00 0.00 1CDR9921
+ATOM 9697 H LEU 54 -9.655 3.932 -0.921 1.00 0.00 1CDR9922
+ATOM 9698 HA LEU 54 -8.382 4.734 1.579 1.00 0.00 1CDR9923
+ATOM 9699 1HB LEU 54 -8.368 6.239 -1.044 1.00 0.00 1CDR9924
+ATOM 9700 2HB LEU 54 -7.167 6.301 0.245 1.00 0.00 1CDR9925
+ATOM 9701 HG LEU 54 -7.802 3.702 -1.127 1.00 0.00 1CDR9926
+ATOM 9702 1HD1 LEU 54 -7.205 5.416 -2.858 1.00 0.00 1CDR9927
+ATOM 9703 2HD1 LEU 54 -5.692 5.698 -2.000 1.00 0.00 1CDR9928
+ATOM 9704 3HD1 LEU 54 -6.014 4.123 -2.724 1.00 0.00 1CDR9929
+ATOM 9705 1HD2 LEU 54 -5.739 4.810 0.706 1.00 0.00 1CDR9930
+ATOM 9706 2HD2 LEU 54 -6.416 3.183 0.625 1.00 0.00 1CDR9931
+ATOM 9707 3HD2 LEU 54 -5.169 3.677 -0.520 1.00 0.00 1CDR9932
+ATOM 9708 N ARG 55 -11.093 6.129 0.683 1.00 0.00 1CDR9933
+ATOM 9709 CA ARG 55 -12.092 7.171 1.044 1.00 0.00 1CDR9934
+ATOM 9710 C ARG 55 -11.727 8.490 0.358 1.00 0.00 1CDR9935
+ATOM 9711 O ARG 55 -11.935 9.560 0.894 1.00 0.00 1CDR9936
+ATOM 9712 CB ARG 55 -12.103 7.368 2.564 1.00 0.00 1CDR9937
+ATOM 9713 CG ARG 55 -12.122 6.003 3.258 1.00 0.00 1CDR9938
+ATOM 9714 CD ARG 55 -13.569 5.594 3.540 1.00 0.00 1CDR9939
+ATOM 9715 NE ARG 55 -13.586 4.412 4.448 1.00 0.00 1CDR9940
+ATOM 9716 CZ ARG 55 -12.811 3.389 4.207 1.00 0.00 1CDR9941
+ATOM 9717 NH1 ARG 55 -11.671 3.273 4.830 1.00 0.00 1CDR9942
+ATOM 9718 NH2 ARG 55 -13.178 2.482 3.342 1.00 0.00 1CDR9943
+ATOM 9719 H ARG 55 -11.361 5.374 0.119 1.00 0.00 1CDR9944
+ATOM 9720 HA ARG 55 -13.070 6.855 0.716 1.00 0.00 1CDR9945
+ATOM 9721 1HB ARG 55 -11.219 7.913 2.862 1.00 0.00 1CDR9946
+ATOM 9722 2HB ARG 55 -12.983 7.925 2.848 1.00 0.00 1CDR9947
+ATOM 9723 1HG ARG 55 -11.657 5.267 2.620 1.00 0.00 1CDR9948
+ATOM 9724 2HG ARG 55 -11.580 6.067 4.191 1.00 0.00 1CDR9949
+ATOM 9725 1HD ARG 55 -14.090 6.415 4.010 1.00 0.00 1CDR9950
+ATOM 9726 2HD ARG 55 -14.059 5.341 2.611 1.00 0.00 1CDR9951
+ATOM 9727 HE ARG 55 -14.179 4.402 5.228 1.00 0.00 1CDR9952
+ATOM 9728 1HH1 ARG 55 -11.391 3.968 5.494 1.00 0.00 1CDR9953
+ATOM 9729 2HH1 ARG 55 -11.077 2.491 4.645 1.00 0.00 1CDR9954
+ATOM 9730 1HH2 ARG 55 -14.052 2.571 2.865 1.00 0.00 1CDR9955
+ATOM 9731 2HH2 ARG 55 -12.584 1.700 3.157 1.00 0.00 1CDR9956
+ATOM 9732 N GLU 56 -11.186 8.418 -0.828 1.00 0.00 1CDR9957
+ATOM 9733 CA GLU 56 -10.809 9.665 -1.556 1.00 0.00 1CDR9958
+ATOM 9734 C GLU 56 -11.619 9.762 -2.850 1.00 0.00 1CDR9959
+ATOM 9735 O GLU 56 -12.669 9.165 -2.982 1.00 0.00 1CDR9960
+ATOM 9736 CB GLU 56 -9.316 9.631 -1.892 1.00 0.00 1CDR9961
+ATOM 9737 CG GLU 56 -8.505 9.434 -0.609 1.00 0.00 1CDR9962
+ATOM 9738 CD GLU 56 -7.176 10.184 -0.729 1.00 0.00 1CDR9963
+ATOM 9739 OE1 GLU 56 -7.212 11.369 -1.019 1.00 0.00 1CDR9964
+ATOM 9740 OE2 GLU 56 -6.146 9.561 -0.528 1.00 0.00 1CDR9965
+ATOM 9741 H GLU 56 -11.030 7.544 -1.243 1.00 0.00 1CDR9966
+ATOM 9742 HA GLU 56 -11.019 10.523 -0.933 1.00 0.00 1CDR9967
+ATOM 9743 1HB GLU 56 -9.120 8.814 -2.572 1.00 0.00 1CDR9968
+ATOM 9744 2HB GLU 56 -9.030 10.563 -2.356 1.00 0.00 1CDR9969
+ATOM 9745 1HG GLU 56 -9.063 9.818 0.232 1.00 0.00 1CDR9970
+ATOM 9746 2HG GLU 56 -8.311 8.383 -0.465 1.00 0.00 1CDR9971
+ATOM 9747 N ASN 57 -11.138 10.507 -3.808 1.00 0.00 1CDR9972
+ATOM 9748 CA ASN 57 -11.882 10.639 -5.092 1.00 0.00 1CDR9973
+ATOM 9749 C ASN 57 -10.917 11.063 -6.203 1.00 0.00 1CDR9974
+ATOM 9750 O ASN 57 -10.722 10.355 -7.172 1.00 0.00 1CDR9975
+ATOM 9751 CB ASN 57 -12.980 11.693 -4.941 1.00 0.00 1CDR9976
+ATOM 9752 CG ASN 57 -14.269 11.182 -5.588 1.00 0.00 1CDR9977
+ATOM 9753 OD1 ASN 57 -14.929 11.905 -6.306 1.00 0.00 1CDR9978
+ATOM 9754 ND2 ASN 57 -14.657 9.956 -5.361 1.00 0.00 1CDR9979
+ATOM 9755 H ASN 57 -10.289 10.980 -3.683 1.00 0.00 1CDR9980
+ATOM 9756 HA ASN 57 -12.328 9.689 -5.348 1.00 0.00 1CDR9981
+ATOM 9757 1HB ASN 57 -13.153 11.884 -3.891 1.00 0.00 1CDR9982
+ATOM 9758 2HB ASN 57 -12.672 12.606 -5.429 1.00 0.00 1CDR9983
+ATOM 9759 1HD2 ASN 57 -15.482 9.621 -5.771 1.00 0.00 1CDR9984
+ATOM 9760 2HD2 ASN 57 -14.124 9.372 -4.782 1.00 0.00 1CDR9985
+ATOM 9761 N GLU 58 -10.313 12.211 -6.072 1.00 0.00 1CDR9986
+ATOM 9762 CA GLU 58 -9.363 12.678 -7.122 1.00 0.00 1CDR9987
+ATOM 9763 C GLU 58 -7.976 12.094 -6.849 1.00 0.00 1CDR9988
+ATOM 9764 O GLU 58 -7.326 12.444 -5.885 1.00 0.00 1CDR9989
+ATOM 9765 CB GLU 58 -9.284 14.205 -7.099 1.00 0.00 1CDR9990
+ATOM 9766 CG GLU 58 -10.585 14.793 -7.650 1.00 0.00 1CDR9991
+ATOM 9767 CD GLU 58 -10.935 16.070 -6.882 1.00 0.00 1CDR9992
+ATOM 9768 OE1 GLU 58 -10.524 16.181 -5.739 1.00 0.00 1CDR9993
+ATOM 9769 OE2 GLU 58 -11.609 16.913 -7.451 1.00 0.00 1CDR9994
+ATOM 9770 H GLU 58 -10.484 12.769 -5.284 1.00 0.00 1CDR9995
+ATOM 9771 HA GLU 58 -9.708 12.349 -8.091 1.00 0.00 1CDR9996
+ATOM 9772 1HB GLU 58 -9.138 14.542 -6.082 1.00 0.00 1CDR9997
+ATOM 9773 2HB GLU 58 -8.457 14.533 -7.709 1.00 0.00 1CDR9998
+ATOM 9774 1HG GLU 58 -10.459 15.026 -8.698 1.00 0.00 1CDR9999
+ATOM 9775 2HG GLU 58 -11.382 14.076 -7.534 1.00 0.00 1CD10000
+ATOM 9776 N LEU 59 -7.518 11.206 -7.690 1.00 0.00 1CD10001
+ATOM 9777 CA LEU 59 -6.173 10.601 -7.477 1.00 0.00 1CD10002
+ATOM 9778 C LEU 59 -5.908 9.552 -8.558 1.00 0.00 1CD10003
+ATOM 9779 O LEU 59 -6.753 8.733 -8.863 1.00 0.00 1CD10004
+ATOM 9780 CB LEU 59 -6.127 9.933 -6.101 1.00 0.00 1CD10005
+ATOM 9781 CG LEU 59 -7.109 8.760 -6.068 1.00 0.00 1CD10006
+ATOM 9782 CD1 LEU 59 -6.361 7.457 -6.351 1.00 0.00 1CD10007
+ATOM 9783 CD2 LEU 59 -7.763 8.682 -4.687 1.00 0.00 1CD10008
+ATOM 9784 H LEU 59 -8.058 10.937 -8.461 1.00 0.00 1CD10009
+ATOM 9785 HA LEU 59 -5.418 11.371 -7.528 1.00 0.00 1CD10010
+ATOM 9786 1HB LEU 59 -5.127 9.570 -5.911 1.00 0.00 1CD10011
+ATOM 9787 2HB LEU 59 -6.400 10.650 -5.342 1.00 0.00 1CD10012
+ATOM 9788 HG LEU 59 -7.870 8.908 -6.822 1.00 0.00 1CD10013
+ATOM 9789 1HD1 LEU 59 -5.337 7.551 -6.018 1.00 0.00 1CD10014
+ATOM 9790 2HD1 LEU 59 -6.838 6.645 -5.821 1.00 0.00 1CD10015
+ATOM 9791 3HD1 LEU 59 -6.377 7.254 -7.411 1.00 0.00 1CD10016
+ATOM 9792 1HD2 LEU 59 -7.098 9.107 -3.949 1.00 0.00 1CD10017
+ATOM 9793 2HD2 LEU 59 -8.691 9.235 -4.695 1.00 0.00 1CD10018
+ATOM 9794 3HD2 LEU 59 -7.962 7.649 -4.440 1.00 0.00 1CD10019
+ATOM 9795 N THR 60 -4.740 9.568 -9.140 1.00 0.00 1CD10020
+ATOM 9796 CA THR 60 -4.422 8.568 -10.198 1.00 0.00 1CD10021
+ATOM 9797 C THR 60 -3.973 7.262 -9.542 1.00 0.00 1CD10022
+ATOM 9798 O THR 60 -3.430 7.258 -8.456 1.00 0.00 1CD10023
+ATOM 9799 CB THR 60 -3.301 9.107 -11.089 1.00 0.00 1CD10024
+ATOM 9800 OG1 THR 60 -2.912 8.103 -12.014 1.00 0.00 1CD10025
+ATOM 9801 CG2 THR 60 -2.102 9.502 -10.226 1.00 0.00 1CD10026
+ATOM 9802 H THR 60 -4.071 10.235 -8.878 1.00 0.00 1CD10027
+ATOM 9803 HA THR 60 -5.303 8.387 -10.798 1.00 0.00 1CD10028
+ATOM 9804 HB THR 60 -3.653 9.975 -11.626 1.00 0.00 1CD10029
+ATOM 9805 HG1 THR 60 -3.604 8.025 -12.675 1.00 0.00 1CD10030
+ATOM 9806 1HG2 THR 60 -2.255 9.153 -9.215 1.00 0.00 1CD10031
+ATOM 9807 2HG2 THR 60 -1.206 9.054 -10.629 1.00 0.00 1CD10032
+ATOM 9808 3HG2 THR 60 -1.997 10.577 -10.224 1.00 0.00 1CD10033
+ATOM 9809 N TYR 61 -4.197 6.150 -10.188 1.00 0.00 1CD10034
+ATOM 9810 CA TYR 61 -3.782 4.849 -9.589 1.00 0.00 1CD10035
+ATOM 9811 C TYR 61 -3.405 3.867 -10.700 1.00 0.00 1CD10036
+ATOM 9812 O TYR 61 -4.117 3.713 -11.673 1.00 0.00 1CD10037
+ATOM 9813 CB TYR 61 -4.944 4.273 -8.776 1.00 0.00 1CD10038
+ATOM 9814 CG TYR 61 -6.035 3.817 -9.713 1.00 0.00 1CD10039
+ATOM 9815 CD1 TYR 61 -6.024 2.510 -10.216 1.00 0.00 1CD10040
+ATOM 9816 CD2 TYR 61 -7.058 4.699 -10.081 1.00 0.00 1CD10041
+ATOM 9817 CE1 TYR 61 -7.035 2.086 -11.088 1.00 0.00 1CD10042
+ATOM 9818 CE2 TYR 61 -8.069 4.276 -10.952 1.00 0.00 1CD10043
+ATOM 9819 CZ TYR 61 -8.057 2.969 -11.455 1.00 0.00 1CD10044
+ATOM 9820 OH TYR 61 -9.052 2.551 -12.315 1.00 0.00 1CD10045
+ATOM 9821 H TYR 61 -4.638 6.170 -11.063 1.00 0.00 1CD10046
+ATOM 9822 HA TYR 61 -2.933 5.005 -8.941 1.00 0.00 1CD10047
+ATOM 9823 1HB TYR 61 -4.594 3.433 -8.194 1.00 0.00 1CD10048
+ATOM 9824 2HB TYR 61 -5.333 5.031 -8.114 1.00 0.00 1CD10049
+ATOM 9825 HD1 TYR 61 -5.236 1.829 -9.933 1.00 0.00 1CD10050
+ATOM 9826 HD2 TYR 61 -7.067 5.707 -9.693 1.00 0.00 1CD10051
+ATOM 9827 HE1 TYR 61 -7.026 1.079 -11.475 1.00 0.00 1CD10052
+ATOM 9828 HE2 TYR 61 -8.858 4.957 -11.236 1.00 0.00 1CD10053
+ATOM 9829 HH TYR 61 -8.947 3.026 -13.143 1.00 0.00 1CD10054
+ATOM 9830 N TYR 62 -2.294 3.194 -10.563 1.00 0.00 1CD10055
+ATOM 9831 CA TYR 62 -1.879 2.217 -11.610 1.00 0.00 1CD10056
+ATOM 9832 C TYR 62 -1.531 0.882 -10.947 1.00 0.00 1CD10057
+ATOM 9833 O TYR 62 -0.718 0.818 -10.047 1.00 0.00 1CD10058
+ATOM 9834 CB TYR 62 -0.657 2.747 -12.360 1.00 0.00 1CD10059
+ATOM 9835 CG TYR 62 -0.318 1.803 -13.491 1.00 0.00 1CD10060
+ATOM 9836 CD1 TYR 62 0.506 0.696 -13.255 1.00 0.00 1CD10061
+ATOM 9837 CD2 TYR 62 -0.827 2.036 -14.774 1.00 0.00 1CD10062
+ATOM 9838 CE1 TYR 62 0.818 -0.179 -14.301 1.00 0.00 1CD10063
+ATOM 9839 CE2 TYR 62 -0.514 1.160 -15.821 1.00 0.00 1CD10064
+ATOM 9840 CZ TYR 62 0.309 0.053 -15.584 1.00 0.00 1CD10065
+ATOM 9841 OH TYR 62 0.618 -0.812 -16.615 1.00 0.00 1CD10066
+ATOM 9842 H TYR 62 -1.735 3.329 -9.769 1.00 0.00 1CD10067
+ATOM 9843 HA TYR 62 -2.693 2.070 -12.306 1.00 0.00 1CD10068
+ATOM 9844 1HB TYR 62 -0.875 3.726 -12.759 1.00 0.00 1CD10069
+ATOM 9845 2HB TYR 62 0.183 2.811 -11.683 1.00 0.00 1CD10070
+ATOM 9846 HD1 TYR 62 0.898 0.518 -12.265 1.00 0.00 1CD10071
+ATOM 9847 HD2 TYR 62 -1.463 2.890 -14.957 1.00 0.00 1CD10072
+ATOM 9848 HE1 TYR 62 1.454 -1.033 -14.119 1.00 0.00 1CD10073
+ATOM 9849 HE2 TYR 62 -0.908 1.339 -16.810 1.00 0.00 1CD10074
+ATOM 9850 HH TYR 62 0.895 -1.647 -16.229 1.00 0.00 1CD10075
+ATOM 9851 N CYS 63 -2.144 -0.183 -11.386 1.00 0.00 1CD10076
+ATOM 9852 CA CYS 63 -1.855 -1.513 -10.782 1.00 0.00 1CD10077
+ATOM 9853 C CYS 63 -0.741 -2.207 -11.563 1.00 0.00 1CD10078
+ATOM 9854 O CYS 63 -0.518 -1.936 -12.726 1.00 0.00 1CD10079
+ATOM 9855 CB CYS 63 -3.120 -2.370 -10.827 1.00 0.00 1CD10080
+ATOM 9856 SG CYS 63 -4.503 -1.441 -10.125 1.00 0.00 1CD10081
+ATOM 9857 H CYS 63 -2.797 -0.107 -12.113 1.00 0.00 1CD10082
+ATOM 9858 HA CYS 63 -1.545 -1.385 -9.756 1.00 0.00 1CD10083
+ATOM 9859 1HB CYS 63 -3.343 -2.627 -11.852 1.00 0.00 1CD10084
+ATOM 9860 2HB CYS 63 -2.964 -3.272 -10.256 1.00 0.00 1CD10085
+ATOM 9861 N CYS 64 -0.036 -3.103 -10.929 1.00 0.00 1CD10086
+ATOM 9862 CA CYS 64 1.067 -3.819 -11.629 1.00 0.00 1CD10087
+ATOM 9863 C CYS 64 1.081 -5.284 -11.188 1.00 0.00 1CD10088
+ATOM 9864 O CYS 64 0.384 -5.674 -10.274 1.00 0.00 1CD10089
+ATOM 9865 CB CYS 64 2.403 -3.172 -11.261 1.00 0.00 1CD10090
+ATOM 9866 SG CYS 64 3.336 -2.794 -12.765 1.00 0.00 1CD10091
+ATOM 9867 H CYS 64 -0.234 -3.305 -9.990 1.00 0.00 1CD10092
+ATOM 9868 HA CYS 64 0.918 -3.761 -12.696 1.00 0.00 1CD10093
+ATOM 9869 1HB CYS 64 2.221 -2.260 -10.712 1.00 0.00 1CD10094
+ATOM 9870 2HB CYS 64 2.971 -3.854 -10.648 1.00 0.00 1CD10095
+ATOM 9871 N LYS 65 1.874 -6.097 -11.830 1.00 0.00 1CD10096
+ATOM 9872 CA LYS 65 1.937 -7.534 -11.443 1.00 0.00 1CD10097
+ATOM 9873 C LYS 65 3.380 -8.026 -11.560 1.00 0.00 1CD10098
+ATOM 9874 O LYS 65 3.635 -9.176 -11.856 1.00 0.00 1CD10099
+ATOM 9875 CB LYS 65 1.041 -8.355 -12.373 1.00 0.00 1CD10100
+ATOM 9876 CG LYS 65 1.528 -8.202 -13.815 1.00 0.00 1CD10101
+ATOM 9877 CD LYS 65 0.684 -7.144 -14.526 1.00 0.00 1CD10102
+ATOM 9878 CE LYS 65 -0.610 -7.781 -15.034 1.00 0.00 1CD10103
+ATOM 9879 NZ LYS 65 -1.774 -6.960 -14.595 1.00 0.00 1CD10104
+ATOM 9880 H LYS 65 2.432 -5.761 -12.563 1.00 0.00 1CD10105
+ATOM 9881 HA LYS 65 1.599 -7.648 -10.425 1.00 0.00 1CD10106
+ATOM 9882 1HB LYS 65 1.083 -9.396 -12.086 1.00 0.00 1CD10107
+ATOM 9883 2HB LYS 65 0.024 -8.000 -12.299 1.00 0.00 1CD10108
+ATOM 9884 1HG LYS 65 2.565 -7.898 -13.814 1.00 0.00 1CD10109
+ATOM 9885 2HG LYS 65 1.429 -9.146 -14.329 1.00 0.00 1CD10110
+ATOM 9886 1HD LYS 65 0.448 -6.347 -13.837 1.00 0.00 1CD10111
+ATOM 9887 2HD LYS 65 1.238 -6.745 -15.363 1.00 0.00 1CD10112
+ATOM 9888 1HE LYS 65 -0.589 -7.828 -16.113 1.00 0.00 1CD10113
+ATOM 9889 2HE LYS 65 -0.701 -8.780 -14.632 1.00 0.00 1CD10114
+ATOM 9890 1HZ LYS 65 -1.490 -6.357 -13.796 1.00 0.00 1CD10115
+ATOM 9891 2HZ LYS 65 -2.095 -6.363 -15.383 1.00 0.00 1CD10116
+ATOM 9892 3HZ LYS 65 -2.549 -7.586 -14.300 1.00 0.00 1CD10117
+ATOM 9893 N LYS 66 4.328 -7.159 -11.332 1.00 0.00 1CD10118
+ATOM 9894 CA LYS 66 5.756 -7.572 -11.429 1.00 0.00 1CD10119
+ATOM 9895 C LYS 66 6.398 -7.516 -10.042 1.00 0.00 1CD10120
+ATOM 9896 O LYS 66 6.039 -6.703 -9.213 1.00 0.00 1CD10121
+ATOM 9897 CB LYS 66 6.496 -6.622 -12.374 1.00 0.00 1CD10122
+ATOM 9898 CG LYS 66 7.655 -7.364 -13.041 1.00 0.00 1CD10123
+ATOM 9899 CD LYS 66 8.005 -6.681 -14.364 1.00 0.00 1CD10124
+ATOM 9900 CE LYS 66 8.662 -5.328 -14.083 1.00 0.00 1CD10125
+ATOM 9901 NZ LYS 66 10.145 -5.479 -14.122 1.00 0.00 1CD10126
+ATOM 9902 H LYS 66 4.100 -6.236 -11.095 1.00 0.00 1CD10127
+ATOM 9903 HA LYS 66 5.814 -8.580 -11.812 1.00 0.00 1CD10128
+ATOM 9904 1HB LYS 66 5.813 -6.265 -13.131 1.00 0.00 1CD10129
+ATOM 9905 2HB LYS 66 6.881 -5.785 -11.813 1.00 0.00 1CD10130
+ATOM 9906 1HG LYS 66 8.516 -7.350 -12.387 1.00 0.00 1CD10131
+ATOM 9907 2HG LYS 66 7.366 -8.387 -13.232 1.00 0.00 1CD10132
+ATOM 9908 1HD LYS 66 8.688 -7.305 -14.922 1.00 0.00 1CD10133
+ATOM 9909 2HD LYS 66 7.105 -6.528 -14.940 1.00 0.00 1CD10134
+ATOM 9910 1HE LYS 66 8.354 -4.615 -14.834 1.00 0.00 1CD10135
+ATOM 9911 2HE LYS 66 8.361 -4.977 -13.108 1.00 0.00 1CD10136
+ATOM 9912 1HZ LYS 66 10.427 -5.898 -15.032 1.00 0.00 1CD10137
+ATOM 9913 2HZ LYS 66 10.592 -4.546 -14.016 1.00 0.00 1CD10138
+ATOM 9914 3HZ LYS 66 10.451 -6.097 -13.345 1.00 0.00 1CD10139
+ATOM 9915 N ASP 67 7.345 -8.374 -9.782 1.00 0.00 1CD10140
+ATOM 9916 CA ASP 67 8.009 -8.368 -8.448 1.00 0.00 1CD10141
+ATOM 9917 C ASP 67 8.427 -6.939 -8.094 1.00 0.00 1CD10142
+ATOM 9918 O ASP 67 9.403 -6.423 -8.601 1.00 0.00 1CD10143
+ATOM 9919 CB ASP 67 9.244 -9.270 -8.487 1.00 0.00 1CD10144
+ATOM 9920 CG ASP 67 9.948 -9.110 -9.835 1.00 0.00 1CD10145
+ATOM 9921 OD1 ASP 67 10.078 -7.983 -10.283 1.00 0.00 1CD10146
+ATOM 9922 OD2 ASP 67 10.347 -10.117 -10.396 1.00 0.00 1CD10147
+ATOM 9923 H ASP 67 7.621 -9.022 -10.462 1.00 0.00 1CD10148
+ATOM 9924 HA ASP 67 7.319 -8.735 -7.702 1.00 0.00 1CD10149
+ATOM 9925 1HB ASP 67 9.918 -8.990 -7.690 1.00 0.00 1CD10150
+ATOM 9926 2HB ASP 67 8.942 -10.299 -8.361 1.00 0.00 1CD10151
+ATOM 9927 N LEU 68 7.690 -6.296 -7.229 1.00 0.00 1CD10152
+ATOM 9928 CA LEU 68 8.032 -4.903 -6.834 1.00 0.00 1CD10153
+ATOM 9929 C LEU 68 7.931 -3.985 -8.053 1.00 0.00 1CD10154
+ATOM 9930 O LEU 68 8.905 -3.402 -8.487 1.00 0.00 1CD10155
+ATOM 9931 CB LEU 68 9.454 -4.861 -6.271 1.00 0.00 1CD10156
+ATOM 9932 CG LEU 68 9.468 -5.499 -4.882 1.00 0.00 1CD10157
+ATOM 9933 CD1 LEU 68 10.913 -5.742 -4.445 1.00 0.00 1CD10158
+ATOM 9934 CD2 LEU 68 8.784 -4.561 -3.884 1.00 0.00 1CD10159
+ATOM 9935 H LEU 68 6.907 -6.733 -6.838 1.00 0.00 1CD10160
+ATOM 9936 HA LEU 68 7.337 -4.569 -6.078 1.00 0.00 1CD10161
+ATOM 9937 1HB LEU 68 10.118 -5.405 -6.926 1.00 0.00 1CD10162
+ATOM 9938 2HB LEU 68 9.782 -3.835 -6.196 1.00 0.00 1CD10163
+ATOM 9939 HG LEU 68 8.938 -6.441 -4.914 1.00 0.00 1CD10164
+ATOM 9940 1HD1 LEU 68 11.584 -5.276 -5.150 1.00 0.00 1CD10165
+ATOM 9941 2HD1 LEU 68 11.067 -5.317 -3.463 1.00 0.00 1CD10166
+ATOM 9942 3HD1 LEU 68 11.105 -6.804 -4.412 1.00 0.00 1CD10167
+ATOM 9943 1HD2 LEU 68 9.132 -3.551 -4.045 1.00 0.00 1CD10168
+ATOM 9944 2HD2 LEU 68 7.715 -4.600 -4.027 1.00 0.00 1CD10169
+ATOM 9945 3HD2 LEU 68 9.026 -4.869 -2.878 1.00 0.00 1CD10170
+ATOM 9946 N CYS 69 6.758 -3.853 -8.607 1.00 0.00 1CD10171
+ATOM 9947 CA CYS 69 6.588 -2.972 -9.797 1.00 0.00 1CD10172
+ATOM 9948 C CYS 69 6.505 -1.514 -9.344 1.00 0.00 1CD10173
+ATOM 9949 O CYS 69 7.343 -0.699 -9.676 1.00 0.00 1CD10174
+ATOM 9950 CB CYS 69 5.295 -3.344 -10.524 1.00 0.00 1CD10175
+ATOM 9951 SG CYS 69 5.222 -2.479 -12.112 1.00 0.00 1CD10176
+ATOM 9952 H CYS 69 5.987 -4.333 -8.238 1.00 0.00 1CD10177
+ATOM 9953 HA CYS 69 7.428 -3.097 -10.464 1.00 0.00 1CD10178
+ATOM 9954 1HB CYS 69 5.270 -4.410 -10.692 1.00 0.00 1CD10179
+ATOM 9955 2HB CYS 69 4.451 -3.056 -9.917 1.00 0.00 1CD10180
+ATOM 9956 N ASN 70 5.493 -1.178 -8.589 1.00 0.00 1CD10181
+ATOM 9957 CA ASN 70 5.349 0.227 -8.114 1.00 0.00 1CD10182
+ATOM 9958 C ASN 70 6.708 0.752 -7.649 1.00 0.00 1CD10183
+ATOM 9959 O ASN 70 7.444 0.074 -6.960 1.00 0.00 1CD10184
+ATOM 9960 CB ASN 70 4.360 0.273 -6.947 1.00 0.00 1CD10185
+ATOM 9961 CG ASN 70 4.315 1.690 -6.369 1.00 0.00 1CD10186
+ATOM 9962 OD1 ASN 70 4.959 2.586 -6.876 1.00 0.00 1CD10187
+ATOM 9963 ND2 ASN 70 3.576 1.931 -5.321 1.00 0.00 1CD10188
+ATOM 9964 H ASN 70 4.827 -1.850 -8.335 1.00 0.00 1CD10189
+ATOM 9965 HA ASN 70 4.983 0.844 -8.921 1.00 0.00 1CD10190
+ATOM 9966 1HB ASN 70 3.376 -0.004 -7.300 1.00 0.00 1CD10191
+ATOM 9967 2HB ASN 70 4.675 -0.417 -6.180 1.00 0.00 1CD10192
+ATOM 9968 1HD2 ASN 70 3.539 2.835 -4.945 1.00 0.00 1CD10193
+ATOM 9969 2HD2 ASN 70 3.057 1.208 -4.910 1.00 0.00 1CD10194
+ATOM 9970 N PHE 71 7.044 1.956 -8.018 1.00 0.00 1CD10195
+ATOM 9971 CA PHE 71 8.353 2.526 -7.594 1.00 0.00 1CD10196
+ATOM 9972 C PHE 71 8.496 3.953 -8.124 1.00 0.00 1CD10197
+ATOM 9973 O PHE 71 9.581 4.411 -8.423 1.00 0.00 1CD10198
+ATOM 9974 CB PHE 71 9.500 1.662 -8.130 1.00 0.00 1CD10199
+ATOM 9975 CG PHE 71 9.293 1.332 -9.597 1.00 0.00 1CD10200
+ATOM 9976 CD1 PHE 71 8.321 1.999 -10.361 1.00 0.00 1CD10201
+ATOM 9977 CD2 PHE 71 10.091 0.347 -10.195 1.00 0.00 1CD10202
+ATOM 9978 CE1 PHE 71 8.153 1.679 -11.715 1.00 0.00 1CD10203
+ATOM 9979 CE2 PHE 71 9.920 0.029 -11.547 1.00 0.00 1CD10204
+ATOM 9980 CZ PHE 71 8.952 0.694 -12.306 1.00 0.00 1CD10205
+ATOM 9981 H PHE 71 6.434 2.488 -8.572 1.00 0.00 1CD10206
+ATOM 9982 HA PHE 71 8.396 2.546 -6.516 1.00 0.00 1CD10207
+ATOM 9983 1HB PHE 71 10.431 2.197 -8.015 1.00 0.00 1CD10208
+ATOM 9984 2HB PHE 71 9.547 0.744 -7.562 1.00 0.00 1CD10209
+ATOM 9985 HD1 PHE 71 7.703 2.759 -9.912 1.00 0.00 1CD10210
+ATOM 9986 HD2 PHE 71 10.839 -0.167 -9.611 1.00 0.00 1CD10211
+ATOM 9987 HE1 PHE 71 7.405 2.192 -12.301 1.00 0.00 1CD10212
+ATOM 9988 HE2 PHE 71 10.537 -0.730 -12.004 1.00 0.00 1CD10213
+ATOM 9989 HZ PHE 71 8.821 0.449 -13.349 1.00 0.00 1CD10214
+ATOM 9990 N ASN 72 7.408 4.659 -8.243 1.00 0.00 1CD10215
+ATOM 9991 CA ASN 72 7.479 6.056 -8.754 1.00 0.00 1CD10216
+ATOM 9992 C ASN 72 8.295 6.082 -10.048 1.00 0.00 1CD10217
+ATOM 9993 O ASN 72 9.202 6.875 -10.207 1.00 0.00 1CD10218
+ATOM 9994 CB ASN 72 8.151 6.948 -7.708 1.00 0.00 1CD10219
+ATOM 9995 CG ASN 72 7.714 8.399 -7.916 1.00 0.00 1CD10220
+ATOM 9996 OD1 ASN 72 8.174 9.059 -8.826 1.00 0.00 1CD10221
+ATOM 9997 ND2 ASN 72 6.839 8.927 -7.105 1.00 0.00 1CD10222
+ATOM 9998 H ASN 72 6.543 4.271 -7.996 1.00 0.00 1CD10223
+ATOM 9999 HA ASN 72 6.481 6.419 -8.950 1.00 0.00 1CD10224
+ATOM 10000 1HB ASN 72 7.863 6.623 -6.718 1.00 0.00 1CD10225
+ATOM 10001 2HB ASN 72 9.223 6.879 -7.810 1.00 0.00 1CD10226
+ATOM 10002 1HD2 ASN 72 6.551 9.855 -7.232 1.00 0.00 1CD10227
+ATOM 10003 2HD2 ASN 72 6.467 8.395 -6.371 1.00 0.00 1CD10228
+ATOM 10004 N GLU 73 7.979 5.218 -10.975 1.00 0.00 1CD10229
+ATOM 10005 CA GLU 73 8.734 5.189 -12.260 1.00 0.00 1CD10230
+ATOM 10006 C GLU 73 7.865 4.543 -13.340 1.00 0.00 1CD10231
+ATOM 10007 O GLU 73 8.347 3.815 -14.187 1.00 0.00 1CD10232
+ATOM 10008 CB GLU 73 10.014 4.371 -12.082 1.00 0.00 1CD10233
+ATOM 10009 CG GLU 73 11.234 5.270 -12.295 1.00 0.00 1CD10234
+ATOM 10010 CD GLU 73 12.483 4.567 -11.761 1.00 0.00 1CD10235
+ATOM 10011 OE1 GLU 73 12.640 3.389 -12.037 1.00 0.00 1CD10236
+ATOM 10012 OE2 GLU 73 13.262 5.218 -11.084 1.00 0.00 1CD10237
+ATOM 10013 H GLU 73 7.245 4.587 -10.825 1.00 0.00 1CD10238
+ATOM 10014 HA GLU 73 8.986 6.197 -12.554 1.00 0.00 1CD10239
+ATOM 10015 1HB GLU 73 10.041 3.957 -11.083 1.00 0.00 1CD10240
+ATOM 10016 2HB GLU 73 10.031 3.567 -12.803 1.00 0.00 1CD10241
+ATOM 10017 1HG GLU 73 11.355 5.467 -13.351 1.00 0.00 1CD10242
+ATOM 10018 2HG GLU 73 11.093 6.201 -11.768 1.00 0.00 1CD10243
+ATOM 10019 N GLN 74 6.586 4.800 -13.315 1.00 0.00 1CD10244
+ATOM 10020 CA GLN 74 5.683 4.200 -14.337 1.00 0.00 1CD10245
+ATOM 10021 C GLN 74 4.889 5.312 -15.025 1.00 0.00 1CD10246
+ATOM 10022 O GLN 74 4.910 5.445 -16.233 1.00 0.00 1CD10247
+ATOM 10023 CB GLN 74 4.717 3.230 -13.653 1.00 0.00 1CD10248
+ATOM 10024 CG GLN 74 4.451 2.037 -14.575 1.00 0.00 1CD10249
+ATOM 10025 CD GLN 74 5.688 1.139 -14.617 1.00 0.00 1CD10250
+ATOM 10026 OE1 GLN 74 6.722 1.530 -15.121 1.00 0.00 1CD10251
+ATOM 10027 NE2 GLN 74 5.626 -0.061 -14.106 1.00 0.00 1CD10252
+ATOM 10028 H GLN 74 6.219 5.387 -12.622 1.00 0.00 1CD10253
+ATOM 10029 HA GLN 74 6.269 3.669 -15.070 1.00 0.00 1CD10254
+ATOM 10030 1HB GLN 74 5.153 2.880 -12.729 1.00 0.00 1CD10255
+ATOM 10031 2HB GLN 74 3.786 3.735 -13.445 1.00 0.00 1CD10256
+ATOM 10032 1HG GLN 74 3.608 1.475 -14.202 1.00 0.00 1CD10257
+ATOM 10033 2HG GLN 74 4.234 2.394 -15.571 1.00 0.00 1CD10258
+ATOM 10034 1HE2 GLN 74 6.412 -0.645 -14.129 1.00 0.00 1CD10259
+ATOM 10035 2HE2 GLN 74 4.793 -0.378 -13.700 1.00 0.00 1CD10260
+ATOM 10036 N LEU 75 4.189 6.113 -14.269 1.00 0.00 1CD10261
+ATOM 10037 CA LEU 75 3.397 7.214 -14.884 1.00 0.00 1CD10262
+ATOM 10038 C LEU 75 4.332 8.372 -15.239 1.00 0.00 1CD10263
+ATOM 10039 O LEU 75 4.366 8.833 -16.363 1.00 0.00 1CD10264
+ATOM 10040 CB LEU 75 2.337 7.701 -13.893 1.00 0.00 1CD10265
+ATOM 10041 CG LEU 75 1.269 6.621 -13.717 1.00 0.00 1CD10266
+ATOM 10042 CD1 LEU 75 1.786 5.542 -12.765 1.00 0.00 1CD10267
+ATOM 10043 CD2 LEU 75 0.002 7.251 -13.133 1.00 0.00 1CD10268
+ATOM 10044 H LEU 75 4.185 5.990 -13.296 1.00 0.00 1CD10269
+ATOM 10045 HA LEU 75 2.914 6.853 -15.780 1.00 0.00 1CD10270
+ATOM 10046 1HB LEU 75 2.803 7.906 -12.940 1.00 0.00 1CD10271
+ATOM 10047 2HB LEU 75 1.877 8.601 -14.272 1.00 0.00 1CD10272
+ATOM 10048 HG LEU 75 1.043 6.178 -14.677 1.00 0.00 1CD10273
+ATOM 10049 1HD1 LEU 75 2.631 5.925 -12.213 1.00 0.00 1CD10274
+ATOM 10050 2HD1 LEU 75 1.002 5.262 -12.078 1.00 0.00 1CD10275
+ATOM 10051 3HD1 LEU 75 2.091 4.676 -13.335 1.00 0.00 1CD10276
+ATOM 10052 1HD2 LEU 75 0.232 8.236 -12.752 1.00 0.00 1CD10277
+ATOM 10053 2HD2 LEU 75 -0.750 7.330 -13.904 1.00 0.00 1CD10278
+ATOM 10054 3HD2 LEU 75 -0.370 6.633 -12.328 1.00 0.00 1CD10279
+ATOM 10055 N GLU 76 5.091 8.845 -14.289 1.00 0.00 1CD10280
+ATOM 10056 CA GLU 76 6.024 9.971 -14.571 1.00 0.00 1CD10281
+ATOM 10057 C GLU 76 6.810 9.670 -15.849 1.00 0.00 1CD10282
+ATOM 10058 O GLU 76 6.877 8.543 -16.296 1.00 0.00 1CD10283
+ATOM 10059 CB GLU 76 6.995 10.136 -13.400 1.00 0.00 1CD10284
+ATOM 10060 CG GLU 76 6.339 10.983 -12.307 1.00 0.00 1CD10285
+ATOM 10061 CD GLU 76 7.393 11.393 -11.277 1.00 0.00 1CD10286
+ATOM 10062 OE1 GLU 76 8.567 11.329 -11.602 1.00 0.00 1CD10287
+ATOM 10063 OE2 GLU 76 7.008 11.764 -10.180 1.00 0.00 1CD10288
+ATOM 10064 H GLU 76 5.048 8.459 -13.390 1.00 0.00 1CD10289
+ATOM 10065 HA GLU 76 5.460 10.883 -14.703 1.00 0.00 1CD10290
+ATOM 10066 1HB GLU 76 7.246 9.164 -13.001 1.00 0.00 1CD10291
+ATOM 10067 2HB GLU 76 7.893 10.627 -13.742 1.00 0.00 1CD10292
+ATOM 10068 1HG GLU 76 5.905 11.868 -12.750 1.00 0.00 1CD10293
+ATOM 10069 2HG GLU 76 5.567 10.409 -11.820 1.00 0.00 1CD10294
+ATOM 10070 N ASN 77 7.404 10.669 -16.442 1.00 0.00 1CD10295
+ATOM 10071 CA ASN 77 8.183 10.437 -17.691 1.00 0.00 1CD10296
+ATOM 10072 C ASN 77 9.671 10.668 -17.415 1.00 0.00 1CD10297
+ATOM 10073 O ASN 77 10.095 10.398 -16.304 1.00 0.00 1CD10298
+ATOM 10074 CB ASN 77 7.707 11.408 -18.773 1.00 0.00 1CD10299
+ATOM 10075 CG ASN 77 6.587 10.757 -19.586 1.00 0.00 1CD10300
+ATOM 10076 OD1 ASN 77 5.488 11.271 -19.648 1.00 0.00 1CD10301
+ATOM 10077 ND2 ASN 77 6.819 9.637 -20.215 1.00 0.00 1CD10302
+ATOM 10078 OXT ASN 77 10.359 11.112 -18.319 1.00 0.00 1CD10303
+ATOM 10079 H ASN 77 7.337 11.572 -16.066 1.00 0.00 1CD10304
+ATOM 10080 HA ASN 77 8.033 9.422 -18.026 1.00 0.00 1CD10305
+ATOM 10081 1HB ASN 77 7.338 12.312 -18.310 1.00 0.00 1CD10306
+ATOM 10082 2HB ASN 77 8.530 11.650 -19.430 1.00 0.00 1CD10307
+ATOM 10083 1HD2 ASN 77 6.108 9.211 -20.737 1.00 0.00 1CD10308
+ATOM 10084 2HD2 ASN 77 7.706 9.222 -20.164 1.00 0.00 1CD10309
+TER 10085 ASN 77 1CD10310
+HETATM10086 C1 NAG 78 9.683 -12.771 -0.649 1.00 0.00 1 1CD10311
+HETATM10087 C2 NAG 78 10.888 -11.855 -0.474 1.00 0.00 1 1CD10312
+HETATM10088 C3 NAG 78 12.051 -12.421 -1.270 1.00 0.00 1 1CD10313
+HETATM10089 C4 NAG 78 12.344 -13.818 -0.755 1.00 0.00 1 1CD10314
+HETATM10090 C5 NAG 78 11.094 -14.679 -0.927 1.00 0.00 1 1CD10315
+HETATM10091 C6 NAG 78 11.278 -16.100 -0.429 1.00 0.00 1 1CD10316
+HETATM10092 C7 NAG 78 10.895 -9.484 -0.198 1.00 0.00 1 1CD10317
+HETATM10093 C8 NAG 78 10.535 -8.107 -0.730 1.00 0.00 1 1CD10318
+HETATM10094 N2 NAG 78 10.571 -10.515 -0.929 1.00 0.00 1 1CD10319
+HETATM10095 O3 NAG 78 13.194 -11.590 -1.125 1.00 0.00 1 1CD10320
+HETATM10096 O4 NAG 78 13.448 -14.392 -1.480 1.00 0.00 1 1CD10321
+HETATM10097 O5 NAG 78 9.991 -14.098 -0.193 1.00 0.00 1 1CD10322
+HETATM10098 O6 NAG 78 10.822 -16.209 0.932 1.00 0.00 1 1CD10323
+HETATM10099 O7 NAG 78 11.460 -9.623 0.869 1.00 0.00 1 1CD10324
+HETATM10100 H1 NAG 78 9.418 -12.843 -1.715 1.00 0.00 1 1CD10325
+HETATM10101 H2 NAG 78 11.165 -11.829 0.589 1.00 0.00 1 1CD10326
+HETATM10102 H3 NAG 78 11.761 -12.484 -2.329 1.00 0.00 1 1CD10327
+HETATM10103 H4 NAG 78 12.588 -13.757 0.315 1.00 0.00 1 1CD10328
+HETATM10104 H5 NAG 78 10.815 -14.702 -1.989 1.00 0.00 1 1CD10329
+HETATM10105 1H6 NAG 78 12.341 -16.369 -0.497 1.00 0.00 1 1CD10330
+HETATM10106 2H6 NAG 78 10.710 -16.782 -1.076 1.00 0.00 1 1CD10331
+HETATM10107 1H8 NAG 78 10.436 -8.135 -1.824 1.00 0.00 1 1CD10332
+HETATM10108 2H8 NAG 78 11.317 -7.380 -0.467 1.00 0.00 1 1CD10333
+HETATM10109 3H8 NAG 78 9.582 -7.768 -0.300 1.00 0.00 1 1CD10334
+HETATM10110 HN2 NAG 78 10.113 -10.384 -1.786 1.00 0.00 1 1CD10335
+HETATM10111 HO3 NAG 78 13.073 -11.012 -0.368 1.00 0.00 1 1CD10336
+HETATM10112 C1 NAG 79 13.211 -14.694 -2.810 1.00 0.00 1CD10337
+HETATM10113 C2 NAG 79 14.425 -14.322 -3.651 1.00 0.00 1CD10338
+HETATM10114 C3 NAG 79 14.147 -14.694 -5.096 1.00 0.00 1CD10339
+HETATM10115 C4 NAG 79 13.873 -16.186 -5.156 1.00 0.00 1CD10340
+HETATM10116 C5 NAG 79 12.670 -16.505 -4.271 1.00 0.00 1CD10341
+HETATM10117 C6 NAG 79 12.329 -17.983 -4.248 1.00 0.00 1CD10342
+HETATM10118 C7 NAG 79 15.927 -12.467 -3.627 1.00 0.00 1CD10343
+HETATM10119 C8 NAG 79 16.151 -10.968 -3.501 1.00 0.00 1CD10344
+HETATM10120 N2 NAG 79 14.699 -12.902 -3.539 1.00 0.00 1CD10345
+HETATM10121 O3 NAG 79 15.266 -14.365 -5.908 1.00 0.00 1CD10346
+HETATM10122 O4 NAG 79 13.608 -16.576 -6.496 1.00 0.00 1CD10347
+HETATM10123 O5 NAG 79 12.942 -16.102 -2.908 1.00 0.00 1CD10348
+HETATM10124 O6 NAG 79 12.067 -18.473 -5.554 1.00 0.00 1CD10349
+HETATM10125 O7 NAG 79 16.854 -13.233 -3.803 1.00 0.00 1CD10350
+HETATM10126 H1 NAG 79 12.321 -14.156 -3.168 1.00 0.00 1CD10351
+HETATM10127 H2 NAG 79 15.293 -14.895 -3.296 1.00 0.00 1CD10352
+HETATM10128 H3 NAG 79 13.256 -14.152 -5.441 1.00 0.00 1CD10353
+HETATM10129 H4 NAG 79 14.750 -16.726 -4.773 1.00 0.00 1CD10354
+HETATM10130 H5 NAG 79 11.799 -15.937 -4.622 1.00 0.00 1CD10355
+HETATM10131 1H6 NAG 79 11.449 -18.133 -3.607 1.00 0.00 1CD10356
+HETATM10132 2H6 NAG 79 13.169 -18.534 -3.803 1.00 0.00 1CD10357
+HETATM10133 1H8 NAG 79 17.018 -10.766 -2.856 1.00 0.00 1CD10358
+HETATM10134 2H8 NAG 79 15.266 -10.487 -3.060 1.00 0.00 1CD10359
+HETATM10135 3H8 NAG 79 16.336 -10.526 -4.489 1.00 0.00 1CD10360
+HETATM10136 HN2 NAG 79 13.965 -12.270 -3.396 1.00 0.00 1CD10361
+HETATM10137 HO4 NAG 79 14.372 -17.034 -6.851 1.00 0.00 1CD10362
+HETATM10138 HO3 NAG 79 16.074 -14.556 -5.429 1.00 0.00 1CD10363
+HETATM10139 HO6 NAG 79 12.243 -19.416 -5.582 1.00 0.00 1CD10364
+HETATM10140 C1 FUC 80 11.872 -16.526 1.800 1.00 0.00 1CD10365
+HETATM10141 C2 FUC 80 11.314 -16.736 3.202 1.00 0.00 1CD10366
+HETATM10142 C3 FUC 80 10.381 -17.935 3.187 1.00 0.00 1CD10367
+HETATM10143 C4 FUC 80 11.174 -19.146 2.725 1.00 0.00 1CD10368
+HETATM10144 C5 FUC 80 11.730 -18.869 1.331 1.00 0.00 1CD10369
+HETATM10145 C6 FUC 80 12.563 -20.011 0.782 1.00 0.00 1CD10370
+HETATM10146 O2 FUC 80 10.612 -15.576 3.623 1.00 0.00 1CD10371
+HETATM10147 O3 FUC 80 9.851 -18.156 4.486 1.00 0.00 1CD10372
+HETATM10148 O4 FUC 80 12.235 -19.406 3.633 1.00 0.00 1CD10373
+HETATM10149 O5 FUC 80 12.567 -17.694 1.371 1.00 0.00 1CD10374
+HETATM10150 H1 FUC 80 12.599 -15.699 1.805 1.00 0.00 1CD10375
+HETATM10151 H2 FUC 80 12.147 -16.941 3.889 1.00 0.00 1CD10376
+HETATM10152 H3 FUC 80 9.566 -17.746 2.473 1.00 0.00 1CD10377
+HETATM10153 H4 FUC 80 10.500 -20.014 2.674 1.00 0.00 1CD10378
+HETATM10154 H5 FUC 80 10.897 -18.663 0.642 1.00 0.00 1CD10379
+HETATM10155 1H6 FUC 80 12.024 -20.961 0.905 1.00 0.00 1CD10380
+HETATM10156 2H6 FUC 80 13.519 -20.069 1.320 1.00 0.00 1CD10381
+HETATM10157 3H6 FUC 80 12.762 -19.848 -0.287 1.00 0.00 1CD10382
+HETATM10158 HO2 FUC 80 11.027 -15.221 4.413 1.00 0.00 1CD10383
+HETATM10159 HO3 FUC 80 9.462 -19.033 4.528 1.00 0.00 1CD10384
+HETATM10160 HO4 FUC 80 12.806 -20.087 3.269 1.00 0.00 1CD10385
+ENDMDL 1CD10386
+MODEL 9 1CD10387
+ATOM 10161 N LEU 1 4.904 -11.552 -7.035 1.00 0.00 1CD10388
+ATOM 10162 CA LEU 1 5.816 -10.404 -7.301 1.00 0.00 1CD10389
+ATOM 10163 C LEU 1 6.045 -9.622 -6.008 1.00 0.00 1CD10390
+ATOM 10164 O LEU 1 5.474 -9.921 -4.978 1.00 0.00 1CD10391
+ATOM 10165 CB LEU 1 5.190 -9.481 -8.348 1.00 0.00 1CD10392
+ATOM 10166 CG LEU 1 3.720 -9.238 -8.004 1.00 0.00 1CD10393
+ATOM 10167 CD1 LEU 1 3.407 -7.746 -8.132 1.00 0.00 1CD10394
+ATOM 10168 CD2 LEU 1 2.835 -10.031 -8.969 1.00 0.00 1CD10395
+ATOM 10169 1H LEU 1 4.446 -11.425 -6.110 1.00 0.00 1CD10396
+ATOM 10170 2H LEU 1 4.178 -11.597 -7.778 1.00 0.00 1CD10397
+ATOM 10171 3H LEU 1 5.451 -12.436 -7.029 1.00 0.00 1CD10398
+ATOM 10172 HA LEU 1 6.762 -10.772 -7.668 1.00 0.00 1CD10399
+ATOM 10173 1HB LEU 1 5.718 -8.538 -8.358 1.00 0.00 1CD10400
+ATOM 10174 2HB LEU 1 5.258 -9.942 -9.322 1.00 0.00 1CD10401
+ATOM 10175 HG LEU 1 3.530 -9.560 -6.990 1.00 0.00 1CD10402
+ATOM 10176 1HD1 LEU 1 4.064 -7.184 -7.485 1.00 0.00 1CD10403
+ATOM 10177 2HD1 LEU 1 3.555 -7.433 -9.155 1.00 0.00 1CD10404
+ATOM 10178 3HD1 LEU 1 2.381 -7.568 -7.846 1.00 0.00 1CD10405
+ATOM 10179 1HD2 LEU 1 3.451 -10.687 -9.565 1.00 0.00 1CD10406
+ATOM 10180 2HD2 LEU 1 2.124 -10.617 -8.406 1.00 0.00 1CD10407
+ATOM 10181 3HD2 LEU 1 2.307 -9.346 -9.617 1.00 0.00 1CD10408
+ATOM 10182 N GLN 2 6.882 -8.624 -6.055 1.00 0.00 1CD10409
+ATOM 10183 CA GLN 2 7.157 -7.820 -4.834 1.00 0.00 1CD10410
+ATOM 10184 C GLN 2 6.649 -6.397 -5.032 1.00 0.00 1CD10411
+ATOM 10185 O GLN 2 6.325 -5.981 -6.127 1.00 0.00 1CD10412
+ATOM 10186 CB GLN 2 8.666 -7.789 -4.577 1.00 0.00 1CD10413
+ATOM 10187 CG GLN 2 9.206 -9.219 -4.521 1.00 0.00 1CD10414
+ATOM 10188 CD GLN 2 10.437 -9.334 -5.422 1.00 0.00 1CD10415
+ATOM 10189 OE1 GLN 2 10.390 -8.979 -6.584 1.00 0.00 1CD10416
+ATOM 10190 NE2 GLN 2 11.546 -9.817 -4.933 1.00 0.00 1CD10417
+ATOM 10191 H GLN 2 7.332 -8.405 -6.898 1.00 0.00 1CD10418
+ATOM 10192 HA GLN 2 6.658 -8.259 -3.983 1.00 0.00 1CD10419
+ATOM 10193 1HB GLN 2 9.154 -7.250 -5.377 1.00 0.00 1CD10420
+ATOM 10194 2HB GLN 2 8.862 -7.295 -3.637 1.00 0.00 1CD10421
+ATOM 10195 1HG GLN 2 9.478 -9.461 -3.504 1.00 0.00 1CD10422
+ATOM 10196 2HG GLN 2 8.447 -9.905 -4.864 1.00 0.00 1CD10423
+ATOM 10197 1HE2 GLN 2 12.342 -9.892 -5.501 1.00 0.00 1CD10424
+ATOM 10198 2HE2 GLN 2 11.584 -10.102 -3.996 1.00 0.00 1CD10425
+ATOM 10199 N CYS 3 6.576 -5.648 -3.974 1.00 0.00 1CD10426
+ATOM 10200 CA CYS 3 6.094 -4.244 -4.084 1.00 0.00 1CD10427
+ATOM 10201 C CYS 3 6.496 -3.465 -2.831 1.00 0.00 1CD10428
+ATOM 10202 O CYS 3 6.589 -4.011 -1.750 1.00 0.00 1CD10429
+ATOM 10203 CB CYS 3 4.577 -4.228 -4.237 1.00 0.00 1CD10430
+ATOM 10204 SG CYS 3 4.154 -4.279 -5.996 1.00 0.00 1CD10431
+ATOM 10205 H CYS 3 6.841 -6.012 -3.104 1.00 0.00 1CD10432
+ATOM 10206 HA CYS 3 6.542 -3.782 -4.948 1.00 0.00 1CD10433
+ATOM 10207 1HB CYS 3 4.159 -5.088 -3.740 1.00 0.00 1CD10434
+ATOM 10208 2HB CYS 3 4.180 -3.326 -3.794 1.00 0.00 1CD10435
+ATOM 10209 N TYR 4 6.741 -2.193 -2.973 1.00 0.00 1CD10436
+ATOM 10210 CA TYR 4 7.147 -1.375 -1.796 1.00 0.00 1CD10437
+ATOM 10211 C TYR 4 5.916 -1.029 -0.954 1.00 0.00 1CD10438
+ATOM 10212 O TYR 4 5.202 -0.088 -1.238 1.00 0.00 1CD10439
+ATOM 10213 CB TYR 4 7.812 -0.084 -2.279 1.00 0.00 1CD10440
+ATOM 10214 CG TYR 4 8.995 -0.421 -3.158 1.00 0.00 1CD10441
+ATOM 10215 CD1 TYR 4 10.202 -0.834 -2.581 1.00 0.00 1CD10442
+ATOM 10216 CD2 TYR 4 8.884 -0.315 -4.550 1.00 0.00 1CD10443
+ATOM 10217 CE1 TYR 4 11.297 -1.145 -3.396 1.00 0.00 1CD10444
+ATOM 10218 CE2 TYR 4 9.981 -0.626 -5.364 1.00 0.00 1CD10445
+ATOM 10219 CZ TYR 4 11.186 -1.040 -4.788 1.00 0.00 1CD10446
+ATOM 10220 OH TYR 4 12.266 -1.345 -5.590 1.00 0.00 1CD10447
+ATOM 10221 H TYR 4 6.664 -1.775 -3.855 1.00 0.00 1CD10448
+ATOM 10222 HA TYR 4 7.847 -1.934 -1.193 1.00 0.00 1CD10449
+ATOM 10223 1HB TYR 4 7.098 0.497 -2.844 1.00 0.00 1CD10450
+ATOM 10224 2HB TYR 4 8.148 0.488 -1.428 1.00 0.00 1CD10451
+ATOM 10225 HD1 TYR 4 10.288 -0.914 -1.509 1.00 0.00 1CD10452
+ATOM 10226 HD2 TYR 4 7.955 0.003 -4.995 1.00 0.00 1CD10453
+ATOM 10227 HE1 TYR 4 12.228 -1.464 -2.951 1.00 0.00 1CD10454
+ATOM 10228 HE2 TYR 4 9.895 -0.545 -6.438 1.00 0.00 1CD10455
+ATOM 10229 HH TYR 4 13.048 -0.952 -5.197 1.00 0.00 1CD10456
+ATOM 10230 N ASN 5 5.668 -1.779 0.085 1.00 0.00 1CD10457
+ATOM 10231 CA ASN 5 4.491 -1.489 0.952 1.00 0.00 1CD10458
+ATOM 10232 C ASN 5 4.904 -0.491 2.032 1.00 0.00 1CD10459
+ATOM 10233 O ASN 5 6.059 -0.397 2.395 1.00 0.00 1CD10460
+ATOM 10234 CB ASN 5 4.009 -2.783 1.611 1.00 0.00 1CD10461
+ATOM 10235 CG ASN 5 2.702 -2.516 2.362 1.00 0.00 1CD10462
+ATOM 10236 OD1 ASN 5 1.691 -2.219 1.759 1.00 0.00 1CD10463
+ATOM 10237 ND2 ASN 5 2.683 -2.611 3.664 1.00 0.00 1CD10464
+ATOM 10238 H ASN 5 6.261 -2.530 0.300 1.00 0.00 1CD10465
+ATOM 10239 HA ASN 5 3.695 -1.067 0.358 1.00 0.00 1CD10466
+ATOM 10240 1HB ASN 5 3.842 -3.534 0.851 1.00 0.00 1CD10467
+ATOM 10241 2HB ASN 5 4.756 -3.135 2.306 1.00 0.00 1CD10468
+ATOM 10242 1HD2 ASN 5 1.852 -2.441 4.154 1.00 0.00 1CD10469
+ATOM 10243 2HD2 ASN 5 3.499 -2.850 4.150 1.00 0.00 1CD10470
+ATOM 10244 N CYS 6 3.973 0.264 2.544 1.00 0.00 1CD10471
+ATOM 10245 CA CYS 6 4.325 1.260 3.598 1.00 0.00 1CD10472
+ATOM 10246 C CYS 6 3.108 1.508 4.492 1.00 0.00 1CD10473
+ATOM 10247 O CYS 6 1.984 1.470 4.031 1.00 0.00 1CD10474
+ATOM 10248 CB CYS 6 4.749 2.594 2.959 1.00 0.00 1CD10475
+ATOM 10249 SG CYS 6 5.273 2.346 1.241 1.00 0.00 1CD10476
+ATOM 10250 H CYS 6 3.047 0.178 2.234 1.00 0.00 1CD10477
+ATOM 10251 HA CYS 6 5.138 0.875 4.195 1.00 0.00 1CD10478
+ATOM 10252 1HB CYS 6 3.915 3.279 2.978 1.00 0.00 1CD10479
+ATOM 10253 2HB CYS 6 5.566 3.014 3.526 1.00 0.00 1CD10480
+ATOM 10254 N PRO 7 3.372 1.768 5.747 1.00 0.00 1CD10481
+ATOM 10255 CA PRO 7 2.318 2.043 6.738 1.00 0.00 1CD10482
+ATOM 10256 C PRO 7 1.822 3.484 6.580 1.00 0.00 1CD10483
+ATOM 10257 O PRO 7 0.784 3.856 7.091 1.00 0.00 1CD10484
+ATOM 10258 CB PRO 7 3.028 1.852 8.081 1.00 0.00 1CD10485
+ATOM 10259 CG PRO 7 4.539 2.042 7.805 1.00 0.00 1CD10486
+ATOM 10260 CD PRO 7 4.743 1.811 6.297 1.00 0.00 1CD10487
+ATOM 10261 HA PRO 7 1.505 1.342 6.641 1.00 0.00 1CD10488
+ATOM 10262 1HB PRO 7 2.680 2.589 8.791 1.00 0.00 1CD10489
+ATOM 10263 2HB PRO 7 2.849 0.857 8.458 1.00 0.00 1CD10490
+ATOM 10264 1HG PRO 7 4.838 3.045 8.073 1.00 0.00 1CD10491
+ATOM 10265 2HG PRO 7 5.112 1.320 8.366 1.00 0.00 1CD10492
+ATOM 10266 1HD PRO 7 5.303 2.627 5.862 1.00 0.00 1CD10493
+ATOM 10267 2HD PRO 7 5.244 0.870 6.121 1.00 0.00 1CD10494
+ATOM 10268 N ASN 8 2.563 4.295 5.874 1.00 0.00 1CD10495
+ATOM 10269 CA ASN 8 2.149 5.711 5.675 1.00 0.00 1CD10496
+ATOM 10270 C ASN 8 2.391 6.107 4.217 1.00 0.00 1CD10497
+ATOM 10271 O ASN 8 3.197 5.502 3.539 1.00 0.00 1CD10498
+ATOM 10272 CB ASN 8 2.974 6.615 6.593 1.00 0.00 1CD10499
+ATOM 10273 CG ASN 8 4.460 6.300 6.414 1.00 0.00 1CD10500
+ATOM 10274 OD1 ASN 8 4.977 5.385 7.023 1.00 0.00 1CD10501
+ATOM 10275 ND2 ASN 8 5.174 7.024 5.596 1.00 0.00 1CD10502
+ATOM 10276 H ASN 8 3.396 3.969 5.473 1.00 0.00 1CD10503
+ATOM 10277 HA ASN 8 1.101 5.818 5.907 1.00 0.00 1CD10504
+ATOM 10278 1HB ASN 8 2.789 7.649 6.341 1.00 0.00 1CD10505
+ATOM 10279 2HB ASN 8 2.692 6.437 7.620 1.00 0.00 1CD10506
+ATOM 10280 1HD2 ASN 8 6.127 6.830 5.473 1.00 0.00 1CD10507
+ATOM 10281 2HD2 ASN 8 4.757 7.762 5.103 1.00 0.00 1CD10508
+ATOM 10282 N PRO 9 1.681 7.115 3.779 1.00 0.00 1CD10509
+ATOM 10283 CA PRO 9 1.794 7.620 2.402 1.00 0.00 1CD10510
+ATOM 10284 C PRO 9 3.062 8.458 2.244 1.00 0.00 1CD10511
+ATOM 10285 O PRO 9 3.032 9.672 2.284 1.00 0.00 1CD10512
+ATOM 10286 CB PRO 9 0.538 8.475 2.226 1.00 0.00 1CD10513
+ATOM 10287 CG PRO 9 0.076 8.869 3.651 1.00 0.00 1CD10514
+ATOM 10288 CD PRO 9 0.705 7.844 4.614 1.00 0.00 1CD10515
+ATOM 10289 HA PRO 9 1.792 6.805 1.698 1.00 0.00 1CD10516
+ATOM 10290 1HB PRO 9 0.770 9.360 1.649 1.00 0.00 1CD10517
+ATOM 10291 2HB PRO 9 -0.237 7.903 1.738 1.00 0.00 1CD10518
+ATOM 10292 1HG PRO 9 0.422 9.866 3.888 1.00 0.00 1CD10519
+ATOM 10293 2HG PRO 9 -0.998 8.821 3.719 1.00 0.00 1CD10520
+ATOM 10294 1HD PRO 9 1.202 8.350 5.431 1.00 0.00 1CD10521
+ATOM 10295 2HD PRO 9 -0.047 7.165 4.988 1.00 0.00 1CD10522
+ATOM 10296 N THR 10 4.174 7.808 2.064 1.00 0.00 1CD10523
+ATOM 10297 CA THR 10 5.456 8.549 1.897 1.00 0.00 1CD10524
+ATOM 10298 C THR 10 5.751 8.726 0.405 1.00 0.00 1CD10525
+ATOM 10299 O THR 10 5.284 7.970 -0.423 1.00 0.00 1CD10526
+ATOM 10300 CB THR 10 6.594 7.755 2.547 1.00 0.00 1CD10527
+ATOM 10301 OG1 THR 10 7.795 8.511 2.476 1.00 0.00 1CD10528
+ATOM 10302 CG2 THR 10 6.779 6.427 1.810 1.00 0.00 1CD10529
+ATOM 10303 H THR 10 4.163 6.829 2.035 1.00 0.00 1CD10530
+ATOM 10304 HA THR 10 5.379 9.518 2.367 1.00 0.00 1CD10531
+ATOM 10305 HB THR 10 6.351 7.558 3.580 1.00 0.00 1CD10532
+ATOM 10306 HG1 THR 10 7.561 9.441 2.484 1.00 0.00 1CD10533
+ATOM 10307 1HG2 THR 10 6.357 6.503 0.818 1.00 0.00 1CD10534
+ATOM 10308 2HG2 THR 10 7.832 6.202 1.735 1.00 0.00 1CD10535
+ATOM 10309 3HG2 THR 10 6.280 5.640 2.355 1.00 0.00 1CD10536
+ATOM 10310 N ALA 11 6.524 9.718 0.057 1.00 0.00 1CD10537
+ATOM 10311 CA ALA 11 6.850 9.940 -1.380 1.00 0.00 1CD10538
+ATOM 10312 C ALA 11 8.223 9.340 -1.687 1.00 0.00 1CD10539
+ATOM 10313 O ALA 11 8.981 9.869 -2.475 1.00 0.00 1CD10540
+ATOM 10314 CB ALA 11 6.872 11.443 -1.670 1.00 0.00 1CD10541
+ATOM 10315 H ALA 11 6.893 10.314 0.741 1.00 0.00 1CD10542
+ATOM 10316 HA ALA 11 6.103 9.464 -1.998 1.00 0.00 1CD10543
+ATOM 10317 1HB ALA 11 6.579 11.984 -0.784 1.00 0.00 1CD10544
+ATOM 10318 2HB ALA 11 7.870 11.739 -1.958 1.00 0.00 1CD10545
+ATOM 10319 3HB ALA 11 6.185 11.666 -2.473 1.00 0.00 1CD10546
+ATOM 10320 N ASP 12 8.549 8.240 -1.066 1.00 0.00 1CD10547
+ATOM 10321 CA ASP 12 9.875 7.605 -1.316 1.00 0.00 1CD10548
+ATOM 10322 C ASP 12 9.985 6.321 -0.491 1.00 0.00 1CD10549
+ATOM 10323 O ASP 12 10.998 6.047 0.120 1.00 0.00 1CD10550
+ATOM 10324 CB ASP 12 10.992 8.570 -0.910 1.00 0.00 1CD10551
+ATOM 10325 CG ASP 12 10.512 9.461 0.238 1.00 0.00 1CD10552
+ATOM 10326 OD1 ASP 12 9.668 9.013 0.996 1.00 0.00 1CD10553
+ATOM 10327 OD2 ASP 12 10.995 10.578 0.336 1.00 0.00 1CD10554
+ATOM 10328 H ASP 12 7.922 7.832 -0.432 1.00 0.00 1CD10555
+ATOM 10329 HA ASP 12 9.967 7.369 -2.366 1.00 0.00 1CD10556
+ATOM 10330 1HB ASP 12 11.856 8.005 -0.589 1.00 0.00 1CD10557
+ATOM 10331 2HB ASP 12 11.260 9.187 -1.754 1.00 0.00 1CD10558
+ATOM 10332 N CYS 13 8.942 5.535 -0.468 1.00 0.00 1CD10559
+ATOM 10333 CA CYS 13 8.973 4.268 0.316 1.00 0.00 1CD10560
+ATOM 10334 C CYS 13 10.266 3.505 0.020 1.00 0.00 1CD10561
+ATOM 10335 O CYS 13 11.058 3.905 -0.809 1.00 0.00 1CD10562
+ATOM 10336 CB CYS 13 7.774 3.403 -0.074 1.00 0.00 1CD10563
+ATOM 10337 SG CYS 13 7.290 2.370 1.330 1.00 0.00 1CD10564
+ATOM 10338 H CYS 13 8.136 5.781 -0.967 1.00 0.00 1CD10565
+ATOM 10339 HA CYS 13 8.923 4.496 1.371 1.00 0.00 1CD10566
+ATOM 10340 1HB CYS 13 6.947 4.039 -0.354 1.00 0.00 1CD10567
+ATOM 10341 2HB CYS 13 8.042 2.773 -0.909 1.00 0.00 1CD10568
+ATOM 10342 N LYS 14 10.483 2.407 0.694 1.00 0.00 1CD10569
+ATOM 10343 CA LYS 14 11.723 1.618 0.452 1.00 0.00 1CD10570
+ATOM 10344 C LYS 14 11.733 0.386 1.362 1.00 0.00 1CD10571
+ATOM 10345 O LYS 14 12.775 -0.070 1.789 1.00 0.00 1CD10572
+ATOM 10346 CB LYS 14 12.944 2.486 0.759 1.00 0.00 1CD10573
+ATOM 10347 CG LYS 14 12.738 3.195 2.099 1.00 0.00 1CD10574
+ATOM 10348 CD LYS 14 13.940 4.096 2.392 1.00 0.00 1CD10575
+ATOM 10349 CE LYS 14 14.936 3.347 3.280 1.00 0.00 1CD10576
+ATOM 10350 NZ LYS 14 14.298 3.039 4.591 1.00 0.00 1CD10577
+ATOM 10351 H LYS 14 9.831 2.103 1.357 1.00 0.00 1CD10578
+ATOM 10352 HA LYS 14 11.755 1.305 -0.581 1.00 0.00 1CD10579
+ATOM 10353 1HB LYS 14 13.826 1.863 0.811 1.00 0.00 1CD10580
+ATOM 10354 2HB LYS 14 13.070 3.223 -0.020 1.00 0.00 1CD10581
+ATOM 10355 1HG LYS 14 11.842 3.795 2.054 1.00 0.00 1CD10582
+ATOM 10356 2HG LYS 14 12.643 2.460 2.884 1.00 0.00 1CD10583
+ATOM 10357 1HD LYS 14 14.421 4.369 1.463 1.00 0.00 1CD10584
+ATOM 10358 2HD LYS 14 13.607 4.987 2.901 1.00 0.00 1CD10585
+ATOM 10359 1HE LYS 14 15.227 2.425 2.797 1.00 0.00 1CD10586
+ATOM 10360 2HE LYS 14 15.809 3.962 3.439 1.00 0.00 1CD10587
+ATOM 10361 1HZ LYS 14 13.278 3.230 4.535 1.00 0.00 1CD10588
+ATOM 10362 2HZ LYS 14 14.452 2.037 4.825 1.00 0.00 1CD10589
+ATOM 10363 3HZ LYS 14 14.719 3.636 5.331 1.00 0.00 1CD10590
+ATOM 10364 N THR 15 10.584 -0.158 1.663 1.00 0.00 1CD10591
+ATOM 10365 CA THR 15 10.541 -1.360 2.546 1.00 0.00 1CD10592
+ATOM 10366 C THR 15 10.752 -2.620 1.701 1.00 0.00 1CD10593
+ATOM 10367 O THR 15 11.277 -3.612 2.167 1.00 0.00 1CD10594
+ATOM 10368 CB THR 15 9.183 -1.428 3.257 1.00 0.00 1CD10595
+ATOM 10369 OG1 THR 15 9.282 -2.298 4.376 1.00 0.00 1CD10596
+ATOM 10370 CG2 THR 15 8.112 -1.951 2.295 1.00 0.00 1CD10597
+ATOM 10371 H THR 15 9.752 0.224 1.309 1.00 0.00 1CD10598
+ATOM 10372 HA THR 15 11.328 -1.289 3.283 1.00 0.00 1CD10599
+ATOM 10373 HB THR 15 8.905 -0.441 3.594 1.00 0.00 1CD10600
+ATOM 10374 HG1 THR 15 9.411 -1.760 5.160 1.00 0.00 1CD10601
+ATOM 10375 1HG2 THR 15 8.439 -2.887 1.866 1.00 0.00 1CD10602
+ATOM 10376 2HG2 THR 15 7.190 -2.105 2.835 1.00 0.00 1CD10603
+ATOM 10377 3HG2 THR 15 7.951 -1.230 1.508 1.00 0.00 1CD10604
+ATOM 10378 N ALA 16 10.353 -2.584 0.460 1.00 0.00 1CD10605
+ATOM 10379 CA ALA 16 10.532 -3.769 -0.423 1.00 0.00 1CD10606
+ATOM 10380 C ALA 16 10.074 -5.036 0.303 1.00 0.00 1CD10607
+ATOM 10381 O ALA 16 10.806 -5.616 1.080 1.00 0.00 1CD10608
+ATOM 10382 CB ALA 16 12.007 -3.893 -0.797 1.00 0.00 1CD10609
+ATOM 10383 H ALA 16 9.941 -1.772 0.105 1.00 0.00 1CD10610
+ATOM 10384 HA ALA 16 9.945 -3.639 -1.321 1.00 0.00 1CD10611
+ATOM 10385 1HB ALA 16 12.596 -3.999 0.101 1.00 0.00 1CD10612
+ATOM 10386 2HB ALA 16 12.147 -4.760 -1.425 1.00 0.00 1CD10613
+ATOM 10387 3HB ALA 16 12.318 -3.007 -1.329 1.00 0.00 1CD10614
+ATOM 10388 N VAL 17 8.869 -5.472 0.054 1.00 0.00 1CD10615
+ATOM 10389 CA VAL 17 8.367 -6.703 0.728 1.00 0.00 1CD10616
+ATOM 10390 C VAL 17 7.372 -7.419 -0.188 1.00 0.00 1CD10617
+ATOM 10391 O VAL 17 6.662 -6.800 -0.955 1.00 0.00 1CD10618
+ATOM 10392 CB VAL 17 7.673 -6.320 2.035 1.00 0.00 1CD10619
+ATOM 10393 CG1 VAL 17 6.390 -5.547 1.725 1.00 0.00 1CD10620
+ATOM 10394 CG2 VAL 17 7.327 -7.588 2.818 1.00 0.00 1CD10621
+ATOM 10395 H VAL 17 8.295 -4.991 -0.578 1.00 0.00 1CD10622
+ATOM 10396 HA VAL 17 9.197 -7.361 0.940 1.00 0.00 1CD10623
+ATOM 10397 HB VAL 17 8.333 -5.699 2.624 1.00 0.00 1CD10624
+ATOM 10398 1HG1 VAL 17 6.619 -4.711 1.081 1.00 0.00 1CD10625
+ATOM 10399 2HG1 VAL 17 5.688 -6.201 1.229 1.00 0.00 1CD10626
+ATOM 10400 3HG1 VAL 17 5.956 -5.186 2.644 1.00 0.00 1CD10627
+ATOM 10401 1HG2 VAL 17 8.213 -8.198 2.927 1.00 0.00 1CD10628
+ATOM 10402 2HG2 VAL 17 6.955 -7.317 3.794 1.00 0.00 1CD10629
+ATOM 10403 3HG2 VAL 17 6.570 -8.145 2.285 1.00 0.00 1CD10630
+ATOM 10404 N ASN 18 7.315 -8.720 -0.112 1.00 0.00 1 1CD10631
+ATOM 10405 CA ASN 18 6.367 -9.479 -0.976 1.00 0.00 1 1CD10632
+ATOM 10406 C ASN 18 4.934 -9.241 -0.496 1.00 0.00 1 1CD10633
+ATOM 10407 O ASN 18 4.597 -9.512 0.638 1.00 0.00 1 1CD10634
+ATOM 10408 CB ASN 18 6.685 -10.973 -0.890 1.00 0.00 1 1CD10635
+ATOM 10409 CG ASN 18 7.921 -11.286 -1.732 1.00 0.00 1 1CD10636
+ATOM 10410 OD1 ASN 18 7.844 -11.427 -2.936 1.00 0.00 1 1CD10637
+ATOM 10411 ND2 ASN 18 9.062 -11.400 -1.109 1.00 0.00 1 1CD10638
+ATOM 10412 H ASN 18 7.897 -9.200 0.515 1.00 0.00 1 1CD10639
+ATOM 10413 HA ASN 18 6.466 -9.148 -1.999 1.00 0.00 1 1CD10640
+ATOM 10414 1HB ASN 18 6.874 -11.240 0.140 1.00 0.00 1 1CD10641
+ATOM 10415 2HB ASN 18 5.846 -11.541 -1.261 1.00 0.00 1 1CD10642
+ATOM 10416 HD2 ASN 18 9.103 -11.282 -0.136 1.00 0.00 1 1CD10643
+ATOM 10417 N CYS 19 4.083 -8.746 -1.353 1.00 0.00 1CD10644
+ATOM 10418 CA CYS 19 2.672 -8.503 -0.942 1.00 0.00 1CD10645
+ATOM 10419 C CYS 19 2.053 -9.827 -0.487 1.00 0.00 1CD10646
+ATOM 10420 O CYS 19 1.815 -10.716 -1.281 1.00 0.00 1CD10647
+ATOM 10421 CB CYS 19 1.880 -7.946 -2.127 1.00 0.00 1CD10648
+ATOM 10422 SG CYS 19 2.277 -6.193 -2.349 1.00 0.00 1CD10649
+ATOM 10423 H CYS 19 4.370 -8.539 -2.267 1.00 0.00 1CD10650
+ATOM 10424 HA CYS 19 2.650 -7.795 -0.126 1.00 0.00 1CD10651
+ATOM 10425 1HB CYS 19 2.141 -8.490 -3.022 1.00 0.00 1CD10652
+ATOM 10426 2HB CYS 19 0.822 -8.053 -1.936 1.00 0.00 1CD10653
+ATOM 10427 N SER 20 1.797 -9.969 0.784 1.00 0.00 1CD10654
+ATOM 10428 CA SER 20 1.202 -11.241 1.284 1.00 0.00 1CD10655
+ATOM 10429 C SER 20 -0.096 -10.945 2.040 1.00 0.00 1CD10656
+ATOM 10430 O SER 20 -0.117 -10.873 3.251 1.00 0.00 1CD10657
+ATOM 10431 CB SER 20 2.195 -11.926 2.225 1.00 0.00 1CD10658
+ATOM 10432 OG SER 20 3.009 -12.820 1.479 1.00 0.00 1CD10659
+ATOM 10433 H SER 20 2.001 -9.244 1.410 1.00 0.00 1CD10660
+ATOM 10434 HA SER 20 0.992 -11.893 0.449 1.00 0.00 1CD10661
+ATOM 10435 1HB SER 20 2.820 -11.185 2.694 1.00 0.00 1CD10662
+ATOM 10436 2HB SER 20 1.651 -12.467 2.988 1.00 0.00 1CD10663
+ATOM 10437 HG SER 20 3.080 -12.480 0.584 1.00 0.00 1CD10664
+ATOM 10438 N SER 21 -1.180 -10.775 1.331 1.00 0.00 1CD10665
+ATOM 10439 CA SER 21 -2.480 -10.488 2.005 1.00 0.00 1CD10666
+ATOM 10440 C SER 21 -3.599 -10.489 0.960 1.00 0.00 1CD10667
+ATOM 10441 O SER 21 -4.345 -9.538 0.834 1.00 0.00 1CD10668
+ATOM 10442 CB SER 21 -2.423 -9.117 2.685 1.00 0.00 1CD10669
+ATOM 10443 OG SER 21 -1.066 -8.748 2.898 1.00 0.00 1CD10670
+ATOM 10444 H SER 21 -1.140 -10.840 0.354 1.00 0.00 1CD10671
+ATOM 10445 HA SER 21 -2.679 -11.250 2.745 1.00 0.00 1CD10672
+ATOM 10446 1HB SER 21 -2.895 -8.381 2.055 1.00 0.00 1CD10673
+ATOM 10447 2HB SER 21 -2.945 -9.165 3.631 1.00 0.00 1CD10674
+ATOM 10448 HG SER 21 -1.056 -7.880 3.308 1.00 0.00 1CD10675
+ATOM 10449 N ASP 22 -3.718 -11.549 0.208 1.00 0.00 1CD10676
+ATOM 10450 CA ASP 22 -4.783 -11.611 -0.833 1.00 0.00 1CD10677
+ATOM 10451 C ASP 22 -4.594 -10.456 -1.817 1.00 0.00 1CD10678
+ATOM 10452 O ASP 22 -5.397 -9.546 -1.884 1.00 0.00 1CD10679
+ATOM 10453 CB ASP 22 -6.157 -11.501 -0.169 1.00 0.00 1CD10680
+ATOM 10454 CG ASP 22 -7.101 -12.539 -0.781 1.00 0.00 1CD10681
+ATOM 10455 OD1 ASP 22 -6.701 -13.687 -0.885 1.00 0.00 1CD10682
+ATOM 10456 OD2 ASP 22 -8.208 -12.167 -1.135 1.00 0.00 1CD10683
+ATOM 10457 H ASP 22 -3.103 -12.304 0.324 1.00 0.00 1CD10684
+ATOM 10458 HA ASP 22 -4.712 -12.550 -1.363 1.00 0.00 1CD10685
+ATOM 10459 1HB ASP 22 -6.060 -11.683 0.892 1.00 0.00 1CD10686
+ATOM 10460 2HB ASP 22 -6.558 -10.513 -0.330 1.00 0.00 1CD10687
+ATOM 10461 N PHE 23 -3.536 -10.484 -2.580 1.00 0.00 1CD10688
+ATOM 10462 CA PHE 23 -3.292 -9.385 -3.558 1.00 0.00 1CD10689
+ATOM 10463 C PHE 23 -3.114 -9.968 -4.961 1.00 0.00 1CD10690
+ATOM 10464 O PHE 23 -2.203 -10.730 -5.217 1.00 0.00 1CD10691
+ATOM 10465 CB PHE 23 -2.023 -8.627 -3.165 1.00 0.00 1CD10692
+ATOM 10466 CG PHE 23 -2.265 -7.860 -1.888 1.00 0.00 1CD10693
+ATOM 10467 CD1 PHE 23 -3.344 -6.972 -1.798 1.00 0.00 1CD10694
+ATOM 10468 CD2 PHE 23 -1.410 -8.035 -0.794 1.00 0.00 1CD10695
+ATOM 10469 CE1 PHE 23 -3.567 -6.261 -0.614 1.00 0.00 1CD10696
+ATOM 10470 CE2 PHE 23 -1.634 -7.324 0.391 1.00 0.00 1CD10697
+ATOM 10471 CZ PHE 23 -2.712 -6.436 0.481 1.00 0.00 1CD10698
+ATOM 10472 H PHE 23 -2.900 -11.226 -2.508 1.00 0.00 1CD10699
+ATOM 10473 HA PHE 23 -4.132 -8.705 -3.555 1.00 0.00 1CD10700
+ATOM 10474 1HB PHE 23 -1.217 -9.331 -3.014 1.00 0.00 1CD10701
+ATOM 10475 2HB PHE 23 -1.756 -7.939 -3.952 1.00 0.00 1CD10702
+ATOM 10476 HD1 PHE 23 -4.004 -6.837 -2.644 1.00 0.00 1CD10703
+ATOM 10477 HD2 PHE 23 -0.578 -8.720 -0.864 1.00 0.00 1CD10704
+ATOM 10478 HE1 PHE 23 -4.400 -5.576 -0.544 1.00 0.00 1CD10705
+ATOM 10479 HE2 PHE 23 -0.974 -7.459 1.235 1.00 0.00 1CD10706
+ATOM 10480 HZ PHE 23 -2.885 -5.887 1.395 1.00 0.00 1CD10707
+ATOM 10481 N ASP 24 -3.974 -9.609 -5.873 1.00 0.00 1CD10708
+ATOM 10482 CA ASP 24 -3.851 -10.133 -7.261 1.00 0.00 1CD10709
+ATOM 10483 C ASP 24 -3.391 -9.005 -8.189 1.00 0.00 1CD10710
+ATOM 10484 O ASP 24 -3.304 -9.172 -9.389 1.00 0.00 1CD10711
+ATOM 10485 CB ASP 24 -5.211 -10.653 -7.734 1.00 0.00 1CD10712
+ATOM 10486 CG ASP 24 -5.477 -12.028 -7.120 1.00 0.00 1CD10713
+ATOM 10487 OD1 ASP 24 -4.520 -12.755 -6.907 1.00 0.00 1CD10714
+ATOM 10488 OD2 ASP 24 -6.632 -12.329 -6.871 1.00 0.00 1CD10715
+ATOM 10489 H ASP 24 -4.697 -8.988 -5.645 1.00 0.00 1CD10716
+ATOM 10490 HA ASP 24 -3.130 -10.936 -7.284 1.00 0.00 1CD10717
+ATOM 10491 1HB ASP 24 -5.985 -9.964 -7.427 1.00 0.00 1CD10718
+ATOM 10492 2HB ASP 24 -5.210 -10.736 -8.811 1.00 0.00 1CD10719
+ATOM 10493 N ALA 25 -3.101 -7.855 -7.642 1.00 0.00 1CD10720
+ATOM 10494 CA ALA 25 -2.654 -6.718 -8.493 1.00 0.00 1CD10721
+ATOM 10495 C ALA 25 -2.000 -5.650 -7.614 1.00 0.00 1CD10722
+ATOM 10496 O ALA 25 -2.644 -5.038 -6.787 1.00 0.00 1CD10723
+ATOM 10497 CB ALA 25 -3.867 -6.111 -9.203 1.00 0.00 1CD10724
+ATOM 10498 H ALA 25 -3.181 -7.738 -6.674 1.00 0.00 1CD10725
+ATOM 10499 HA ALA 25 -1.944 -7.070 -9.227 1.00 0.00 1CD10726
+ATOM 10500 1HB ALA 25 -4.693 -6.043 -8.510 1.00 0.00 1CD10727
+ATOM 10501 2HB ALA 25 -3.617 -5.125 -9.563 1.00 0.00 1CD10728
+ATOM 10502 3HB ALA 25 -4.149 -6.738 -10.037 1.00 0.00 1CD10729
+ATOM 10503 N CYS 26 -0.729 -5.407 -7.794 1.00 0.00 1CD10730
+ATOM 10504 CA CYS 26 -0.057 -4.364 -6.972 1.00 0.00 1CD10731
+ATOM 10505 C CYS 26 -0.708 -3.024 -7.280 1.00 0.00 1CD10732
+ATOM 10506 O CYS 26 -1.383 -2.873 -8.275 1.00 0.00 1CD10733
+ATOM 10507 CB CYS 26 1.433 -4.313 -7.314 1.00 0.00 1CD10734
+ATOM 10508 SG CYS 26 2.367 -5.216 -6.055 1.00 0.00 1CD10735
+ATOM 10509 H CYS 26 -0.224 -5.897 -8.476 1.00 0.00 1CD10736
+ATOM 10510 HA CYS 26 -0.181 -4.585 -5.922 1.00 0.00 1CD10737
+ATOM 10511 1HB CYS 26 1.597 -4.766 -8.280 1.00 0.00 1CD10738
+ATOM 10512 2HB CYS 26 1.762 -3.284 -7.338 1.00 0.00 1CD10739
+ATOM 10513 N LEU 27 -0.539 -2.055 -6.433 1.00 0.00 1CD10740
+ATOM 10514 CA LEU 27 -1.185 -0.744 -6.706 1.00 0.00 1CD10741
+ATOM 10515 C LEU 27 -0.232 0.410 -6.399 1.00 0.00 1CD10742
+ATOM 10516 O LEU 27 0.373 0.478 -5.348 1.00 0.00 1CD10743
+ATOM 10517 CB LEU 27 -2.439 -0.616 -5.844 1.00 0.00 1CD10744
+ATOM 10518 CG LEU 27 -3.029 0.785 -5.998 1.00 0.00 1CD10745
+ATOM 10519 CD1 LEU 27 -4.323 0.701 -6.808 1.00 0.00 1CD10746
+ATOM 10520 CD2 LEU 27 -3.330 1.362 -4.614 1.00 0.00 1CD10747
+ATOM 10521 H LEU 27 -0.008 -2.195 -5.620 1.00 0.00 1CD10748
+ATOM 10522 HA LEU 27 -1.469 -0.700 -7.746 1.00 0.00 1CD10749
+ATOM 10523 1HB LEU 27 -3.165 -1.347 -6.164 1.00 0.00 1CD10750
+ATOM 10524 2HB LEU 27 -2.185 -0.786 -4.808 1.00 0.00 1CD10751
+ATOM 10525 HG LEU 27 -2.324 1.422 -6.512 1.00 0.00 1CD10752
+ATOM 10526 1HD1 LEU 27 -4.875 -0.178 -6.512 1.00 0.00 1CD10753
+ATOM 10527 2HD1 LEU 27 -4.919 1.582 -6.625 1.00 0.00 1CD10754
+ATOM 10528 3HD1 LEU 27 -4.084 0.639 -7.860 1.00 0.00 1CD10755
+ATOM 10529 1HD2 LEU 27 -2.777 0.811 -3.867 1.00 0.00 1CD10756
+ATOM 10530 2HD2 LEU 27 -3.035 2.400 -4.585 1.00 0.00 1CD10757
+ATOM 10531 3HD2 LEU 27 -4.387 1.281 -4.411 1.00 0.00 1CD10758
+ATOM 10532 N ILE 28 -0.122 1.332 -7.315 1.00 0.00 1CD10759
+ATOM 10533 CA ILE 28 0.758 2.510 -7.103 1.00 0.00 1CD10760
+ATOM 10534 C ILE 28 -0.056 3.768 -7.428 1.00 0.00 1CD10761
+ATOM 10535 O ILE 28 -0.216 4.147 -8.571 1.00 0.00 1CD10762
+ATOM 10536 CB ILE 28 1.988 2.404 -8.017 1.00 0.00 1CD10763
+ATOM 10537 CG1 ILE 28 3.021 3.465 -7.621 1.00 0.00 1CD10764
+ATOM 10538 CG2 ILE 28 1.575 2.605 -9.476 1.00 0.00 1CD10765
+ATOM 10539 CD1 ILE 28 2.472 4.861 -7.919 1.00 0.00 1CD10766
+ATOM 10540 H ILE 28 -0.638 1.255 -8.144 1.00 0.00 1CD10767
+ATOM 10541 HA ILE 28 1.074 2.542 -6.070 1.00 0.00 1CD10768
+ATOM 10542 HB ILE 28 2.425 1.421 -7.907 1.00 0.00 1CD10769
+ATOM 10543 1HG1 ILE 28 3.235 3.381 -6.565 1.00 0.00 1CD10770
+ATOM 10544 2HG1 ILE 28 3.928 3.311 -8.185 1.00 0.00 1CD10771
+ATOM 10545 1HG2 ILE 28 0.556 2.272 -9.608 1.00 0.00 1CD10772
+ATOM 10546 2HG2 ILE 28 1.649 3.651 -9.732 1.00 0.00 1CD10773
+ATOM 10547 3HG2 ILE 28 2.227 2.031 -10.117 1.00 0.00 1CD10774
+ATOM 10548 1HD1 ILE 28 1.904 4.836 -8.837 1.00 0.00 1CD10775
+ATOM 10549 2HD1 ILE 28 1.832 5.178 -7.108 1.00 0.00 1CD10776
+ATOM 10550 3HD1 ILE 28 3.292 5.556 -8.023 1.00 0.00 1CD10777
+ATOM 10551 N THR 29 -0.603 4.400 -6.426 1.00 0.00 1CD10778
+ATOM 10552 CA THR 29 -1.432 5.612 -6.674 1.00 0.00 1CD10779
+ATOM 10553 C THR 29 -0.646 6.869 -6.297 1.00 0.00 1CD10780
+ATOM 10554 O THR 29 -0.421 7.148 -5.136 1.00 0.00 1CD10781
+ATOM 10555 CB THR 29 -2.708 5.526 -5.829 1.00 0.00 1CD10782
+ATOM 10556 OG1 THR 29 -3.606 4.602 -6.428 1.00 0.00 1CD10783
+ATOM 10557 CG2 THR 29 -3.375 6.902 -5.745 1.00 0.00 1CD10784
+ATOM 10558 H THR 29 -0.484 4.067 -5.513 1.00 0.00 1CD10785
+ATOM 10559 HA THR 29 -1.699 5.655 -7.721 1.00 0.00 1CD10786
+ATOM 10560 HB THR 29 -2.458 5.190 -4.834 1.00 0.00 1CD10787
+ATOM 10561 HG1 THR 29 -3.542 3.773 -5.950 1.00 0.00 1CD10788
+ATOM 10562 1HG2 THR 29 -3.204 7.441 -6.664 1.00 0.00 1CD10789
+ATOM 10563 2HG2 THR 29 -4.435 6.779 -5.589 1.00 0.00 1CD10790
+ATOM 10564 3HG2 THR 29 -2.951 7.456 -4.919 1.00 0.00 1CD10791
+ATOM 10565 N LYS 30 -0.241 7.637 -7.269 1.00 0.00 1CD10792
+ATOM 10566 CA LYS 30 0.514 8.884 -6.966 1.00 0.00 1CD10793
+ATOM 10567 C LYS 30 -0.444 10.069 -7.032 1.00 0.00 1CD10794
+ATOM 10568 O LYS 30 -0.497 10.792 -8.008 1.00 0.00 1CD10795
+ATOM 10569 CB LYS 30 1.636 9.069 -7.989 1.00 0.00 1CD10796
+ATOM 10570 CG LYS 30 2.289 10.438 -7.787 1.00 0.00 1CD10797
+ATOM 10571 CD LYS 30 3.776 10.351 -8.134 1.00 0.00 1CD10798
+ATOM 10572 CE LYS 30 4.431 11.716 -7.920 1.00 0.00 1CD10799
+ATOM 10573 NZ LYS 30 4.753 12.326 -9.240 1.00 0.00 1CD10800
+ATOM 10574 H LYS 30 -0.442 7.400 -8.198 1.00 0.00 1CD10801
+ATOM 10575 HA LYS 30 0.932 8.818 -5.972 1.00 0.00 1CD10802
+ATOM 10576 1HB LYS 30 2.377 8.293 -7.855 1.00 0.00 1CD10803
+ATOM 10577 2HB LYS 30 1.228 9.010 -8.986 1.00 0.00 1CD10804
+ATOM 10578 1HG LYS 30 1.810 11.162 -8.429 1.00 0.00 1CD10805
+ATOM 10579 2HG LYS 30 2.179 10.740 -6.756 1.00 0.00 1CD10806
+ATOM 10580 1HD LYS 30 4.250 9.618 -7.499 1.00 0.00 1CD10807
+ATOM 10581 2HD LYS 30 3.887 10.059 -9.168 1.00 0.00 1CD10808
+ATOM 10582 1HE LYS 30 3.751 12.361 -7.382 1.00 0.00 1CD10809
+ATOM 10583 2HE LYS 30 5.339 11.595 -7.348 1.00 0.00 1CD10810
+ATOM 10584 1HZ LYS 30 4.831 11.577 -9.959 1.00 0.00 1CD10811
+ATOM 10585 2HZ LYS 30 3.997 12.986 -9.512 1.00 0.00 1CD10812
+ATOM 10586 3HZ LYS 30 5.656 12.840 -9.174 1.00 0.00 1CD10813
+ATOM 10587 N ALA 31 -1.208 10.268 -5.997 1.00 0.00 1CD10814
+ATOM 10588 CA ALA 31 -2.177 11.399 -5.985 1.00 0.00 1CD10815
+ATOM 10589 C ALA 31 -1.434 12.716 -6.215 1.00 0.00 1CD10816
+ATOM 10590 O ALA 31 -0.220 12.755 -6.261 1.00 0.00 1CD10817
+ATOM 10591 CB ALA 31 -2.889 11.443 -4.631 1.00 0.00 1CD10818
+ATOM 10592 H ALA 31 -1.147 9.668 -5.225 1.00 0.00 1CD10819
+ATOM 10593 HA ALA 31 -2.905 11.257 -6.769 1.00 0.00 1CD10820
+ATOM 10594 1HB ALA 31 -2.301 10.909 -3.899 1.00 0.00 1CD10821
+ATOM 10595 2HB ALA 31 -3.008 12.468 -4.319 1.00 0.00 1CD10822
+ATOM 10596 3HB ALA 31 -3.860 10.979 -4.721 1.00 0.00 1CD10823
+ATOM 10597 N GLY 32 -2.153 13.796 -6.358 1.00 0.00 1CD10824
+ATOM 10598 CA GLY 32 -1.490 15.110 -6.584 1.00 0.00 1CD10825
+ATOM 10599 C GLY 32 -1.122 15.733 -5.237 1.00 0.00 1CD10826
+ATOM 10600 O GLY 32 -1.438 16.875 -4.962 1.00 0.00 1CD10827
+ATOM 10601 H GLY 32 -3.131 13.741 -6.317 1.00 0.00 1CD10828
+ATOM 10602 1HA GLY 32 -0.594 14.966 -7.172 1.00 0.00 1CD10829
+ATOM 10603 2HA GLY 32 -2.164 15.769 -7.110 1.00 0.00 1CD10830
+ATOM 10604 N LEU 33 -0.457 14.993 -4.394 1.00 0.00 1CD10831
+ATOM 10605 CA LEU 33 -0.069 15.543 -3.065 1.00 0.00 1CD10832
+ATOM 10606 C LEU 33 0.834 14.540 -2.344 1.00 0.00 1CD10833
+ATOM 10607 O LEU 33 1.835 14.901 -1.760 1.00 0.00 1CD10834
+ATOM 10608 CB LEU 33 -1.326 15.790 -2.229 1.00 0.00 1CD10835
+ATOM 10609 CG LEU 33 -0.979 16.684 -1.037 1.00 0.00 1CD10836
+ATOM 10610 CD1 LEU 33 -0.265 17.942 -1.534 1.00 0.00 1CD10837
+ATOM 10611 CD2 LEU 33 -2.264 17.081 -0.308 1.00 0.00 1CD10838
+ATOM 10612 H LEU 33 -0.212 14.076 -4.634 1.00 0.00 1CD10839
+ATOM 10613 HA LEU 33 0.463 16.472 -3.202 1.00 0.00 1CD10840
+ATOM 10614 1HB LEU 33 -2.074 16.277 -2.838 1.00 0.00 1CD10841
+ATOM 10615 2HB LEU 33 -1.711 14.849 -1.869 1.00 0.00 1CD10842
+ATOM 10616 HG LEU 33 -0.329 16.146 -0.362 1.00 0.00 1CD10843
+ATOM 10617 1HD1 LEU 33 -0.445 18.064 -2.592 1.00 0.00 1CD10844
+ATOM 10618 2HD1 LEU 33 -0.641 18.803 -1.002 1.00 0.00 1CD10845
+ATOM 10619 3HD1 LEU 33 0.796 17.846 -1.359 1.00 0.00 1CD10846
+ATOM 10620 1HD2 LEU 33 -2.823 16.192 -0.055 1.00 0.00 1CD10847
+ATOM 10621 2HD2 LEU 33 -2.014 17.618 0.596 1.00 0.00 1CD10848
+ATOM 10622 3HD2 LEU 33 -2.861 17.713 -0.948 1.00 0.00 1CD10849
+ATOM 10623 N GLN 34 0.488 13.282 -2.381 1.00 0.00 1CD10850
+ATOM 10624 CA GLN 34 1.328 12.259 -1.698 1.00 0.00 1CD10851
+ATOM 10625 C GLN 34 1.374 10.987 -2.547 1.00 0.00 1CD10852
+ATOM 10626 O GLN 34 0.705 10.875 -3.554 1.00 0.00 1CD10853
+ATOM 10627 CB GLN 34 0.726 11.930 -0.331 1.00 0.00 1CD10854
+ATOM 10628 CG GLN 34 0.292 13.221 0.366 1.00 0.00 1CD10855
+ATOM 10629 CD GLN 34 -0.270 12.888 1.750 1.00 0.00 1CD10856
+ATOM 10630 OE1 GLN 34 0.335 12.149 2.502 1.00 0.00 1CD10857
+ATOM 10631 NE2 GLN 34 -1.411 13.402 2.120 1.00 0.00 1CD10858
+ATOM 10632 H GLN 34 -0.323 13.011 -2.859 1.00 0.00 1CD10859
+ATOM 10633 HA GLN 34 2.329 12.642 -1.568 1.00 0.00 1CD10860
+ATOM 10634 1HB GLN 34 -0.132 11.285 -0.462 1.00 0.00 1CD10861
+ATOM 10635 2HB GLN 34 1.463 11.427 0.276 1.00 0.00 1CD10862
+ATOM 10636 1HG GLN 34 1.143 13.877 0.470 1.00 0.00 1CD10863
+ATOM 10637 2HG GLN 34 -0.470 13.709 -0.223 1.00 0.00 1CD10864
+ATOM 10638 1HE2 GLN 34 -1.778 13.193 3.004 1.00 0.00 1CD10865
+ATOM 10639 2HE2 GLN 34 -1.899 13.997 1.513 1.00 0.00 1CD10866
+ATOM 10640 N VAL 35 2.160 10.026 -2.146 1.00 0.00 1CD10867
+ATOM 10641 CA VAL 35 2.247 8.760 -2.924 1.00 0.00 1CD10868
+ATOM 10642 C VAL 35 1.550 7.644 -2.146 1.00 0.00 1CD10869
+ATOM 10643 O VAL 35 1.371 7.731 -0.948 1.00 0.00 1CD10870
+ATOM 10644 CB VAL 35 3.718 8.396 -3.141 1.00 0.00 1CD10871
+ATOM 10645 CG1 VAL 35 3.814 7.004 -3.768 1.00 0.00 1CD10872
+ATOM 10646 CG2 VAL 35 4.363 9.421 -4.075 1.00 0.00 1CD10873
+ATOM 10647 H VAL 35 2.689 10.137 -1.329 1.00 0.00 1CD10874
+ATOM 10648 HA VAL 35 1.764 8.891 -3.881 1.00 0.00 1CD10875
+ATOM 10649 HB VAL 35 4.231 8.398 -2.190 1.00 0.00 1CD10876
+ATOM 10650 1HG1 VAL 35 3.285 6.996 -4.709 1.00 0.00 1CD10877
+ATOM 10651 2HG1 VAL 35 4.851 6.756 -3.935 1.00 0.00 1CD10878
+ATOM 10652 3HG1 VAL 35 3.374 6.278 -3.101 1.00 0.00 1CD10879
+ATOM 10653 1HG2 VAL 35 3.618 9.804 -4.757 1.00 0.00 1CD10880
+ATOM 10654 2HG2 VAL 35 4.770 10.233 -3.491 1.00 0.00 1CD10881
+ATOM 10655 3HG2 VAL 35 5.156 8.948 -4.636 1.00 0.00 1CD10882
+ATOM 10656 N TYR 36 1.149 6.596 -2.813 1.00 0.00 1CD10883
+ATOM 10657 CA TYR 36 0.460 5.484 -2.099 1.00 0.00 1CD10884
+ATOM 10658 C TYR 36 0.951 4.139 -2.635 1.00 0.00 1CD10885
+ATOM 10659 O TYR 36 0.367 3.565 -3.533 1.00 0.00 1CD10886
+ATOM 10660 CB TYR 36 -1.051 5.596 -2.317 1.00 0.00 1CD10887
+ATOM 10661 CG TYR 36 -1.603 6.714 -1.465 1.00 0.00 1CD10888
+ATOM 10662 CD1 TYR 36 -2.003 6.460 -0.148 1.00 0.00 1CD10889
+ATOM 10663 CD2 TYR 36 -1.713 8.006 -1.992 1.00 0.00 1CD10890
+ATOM 10664 CE1 TYR 36 -2.514 7.498 0.642 1.00 0.00 1CD10891
+ATOM 10665 CE2 TYR 36 -2.223 9.044 -1.203 1.00 0.00 1CD10892
+ATOM 10666 CZ TYR 36 -2.624 8.790 0.113 1.00 0.00 1CD10893
+ATOM 10667 OH TYR 36 -3.126 9.814 0.890 1.00 0.00 1CD10894
+ATOM 10668 H TYR 36 1.298 6.542 -3.780 1.00 0.00 1CD10895
+ATOM 10669 HA TYR 36 0.676 5.548 -1.044 1.00 0.00 1CD10896
+ATOM 10670 1HB TYR 36 -1.250 5.803 -3.358 1.00 0.00 1CD10897
+ATOM 10671 2HB TYR 36 -1.524 4.665 -2.039 1.00 0.00 1CD10898
+ATOM 10672 HD1 TYR 36 -1.919 5.463 0.261 1.00 0.00 1CD10899
+ATOM 10673 HD2 TYR 36 -1.404 8.202 -3.008 1.00 0.00 1CD10900
+ATOM 10674 HE1 TYR 36 -2.823 7.302 1.658 1.00 0.00 1CD10901
+ATOM 10675 HE2 TYR 36 -2.308 10.040 -1.611 1.00 0.00 1CD10902
+ATOM 10676 HH TYR 36 -3.789 9.443 1.477 1.00 0.00 1CD10903
+ATOM 10677 N ASN 37 2.015 3.625 -2.084 1.00 0.00 1CD10904
+ATOM 10678 CA ASN 37 2.537 2.310 -2.554 1.00 0.00 1CD10905
+ATOM 10679 C ASN 37 1.931 1.201 -1.693 1.00 0.00 1CD10906
+ATOM 10680 O ASN 37 2.361 0.960 -0.583 1.00 0.00 1CD10907
+ATOM 10681 CB ASN 37 4.061 2.284 -2.424 1.00 0.00 1CD10908
+ATOM 10682 CG ASN 37 4.662 3.471 -3.180 1.00 0.00 1CD10909
+ATOM 10683 OD1 ASN 37 5.663 4.023 -2.769 1.00 0.00 1CD10910
+ATOM 10684 ND2 ASN 37 4.089 3.890 -4.274 1.00 0.00 1CD10911
+ATOM 10685 H ASN 37 2.467 4.100 -1.356 1.00 0.00 1CD10912
+ATOM 10686 HA ASN 37 2.257 2.159 -3.587 1.00 0.00 1CD10913
+ATOM 10687 1HB ASN 37 4.334 2.346 -1.379 1.00 0.00 1CD10914
+ATOM 10688 2HB ASN 37 4.442 1.364 -2.842 1.00 0.00 1CD10915
+ATOM 10689 1HD2 ASN 37 4.468 4.648 -4.766 1.00 0.00 1CD10916
+ATOM 10690 2HD2 ASN 37 3.282 3.445 -4.605 1.00 0.00 1CD10917
+ATOM 10691 N LYS 38 0.926 0.532 -2.187 1.00 0.00 1CD10918
+ATOM 10692 CA LYS 38 0.290 -0.550 -1.384 1.00 0.00 1CD10919
+ATOM 10693 C LYS 38 -0.217 -1.658 -2.307 1.00 0.00 1CD10920
+ATOM 10694 O LYS 38 -0.496 -1.438 -3.471 1.00 0.00 1CD10921
+ATOM 10695 CB LYS 38 -0.889 0.035 -0.604 1.00 0.00 1CD10922
+ATOM 10696 CG LYS 38 -0.842 -0.452 0.846 1.00 0.00 1CD10923
+ATOM 10697 CD LYS 38 -2.120 -0.023 1.568 1.00 0.00 1CD10924
+ATOM 10698 CE LYS 38 -2.241 1.501 1.528 1.00 0.00 1CD10925
+ATOM 10699 NZ LYS 38 -3.376 1.888 0.643 1.00 0.00 1CD10926
+ATOM 10700 H LYS 38 0.584 0.745 -3.081 1.00 0.00 1CD10927
+ATOM 10701 HA LYS 38 1.009 -0.960 -0.693 1.00 0.00 1CD10928
+ATOM 10702 1HB LYS 38 -0.832 1.114 -0.623 1.00 0.00 1CD10929
+ATOM 10703 2HB LYS 38 -1.815 -0.284 -1.057 1.00 0.00 1CD10930
+ATOM 10704 1HG LYS 38 -0.762 -1.530 0.860 1.00 0.00 1CD10931
+ATOM 10705 2HG LYS 38 0.013 -0.021 1.343 1.00 0.00 1CD10932
+ATOM 10706 1HD LYS 38 -2.976 -0.466 1.080 1.00 0.00 1CD10933
+ATOM 10707 2HD LYS 38 -2.081 -0.352 2.597 1.00 0.00 1CD10934
+ATOM 10708 1HE LYS 38 -2.419 1.875 2.526 1.00 0.00 1CD10935
+ATOM 10709 2HE LYS 38 -1.325 1.924 1.143 1.00 0.00 1CD10936
+ATOM 10710 1HZ LYS 38 -4.212 1.316 0.880 1.00 0.00 1CD10937
+ATOM 10711 2HZ LYS 38 -3.598 2.894 0.781 1.00 0.00 1CD10938
+ATOM 10712 3HZ LYS 38 -3.113 1.723 -0.351 1.00 0.00 1CD10939
+ATOM 10713 N CYS 39 -0.352 -2.846 -1.789 1.00 0.00 1CD10940
+ATOM 10714 CA CYS 39 -0.858 -3.973 -2.622 1.00 0.00 1CD10941
+ATOM 10715 C CYS 39 -2.362 -3.791 -2.816 1.00 0.00 1CD10942
+ATOM 10716 O CYS 39 -3.023 -3.163 -2.013 1.00 0.00 1CD10943
+ATOM 10717 CB CYS 39 -0.584 -5.303 -1.916 1.00 0.00 1CD10944
+ATOM 10718 SG CYS 39 1.024 -5.231 -1.089 1.00 0.00 1CD10945
+ATOM 10719 H CYS 39 -0.131 -2.994 -0.847 1.00 0.00 1CD10946
+ATOM 10720 HA CYS 39 -0.364 -3.962 -3.584 1.00 0.00 1CD10947
+ATOM 10721 1HB CYS 39 -1.358 -5.487 -1.185 1.00 0.00 1CD10948
+ATOM 10722 2HB CYS 39 -0.580 -6.102 -2.643 1.00 0.00 1CD10949
+ATOM 10723 N TRP 40 -2.914 -4.312 -3.875 1.00 0.00 1CD10950
+ATOM 10724 CA TRP 40 -4.366 -4.134 -4.102 1.00 0.00 1CD10951
+ATOM 10725 C TRP 40 -4.929 -5.342 -4.855 1.00 0.00 1CD10952
+ATOM 10726 O TRP 40 -4.198 -6.122 -5.432 1.00 0.00 1CD10953
+ATOM 10727 CB TRP 40 -4.566 -2.867 -4.925 1.00 0.00 1CD10954
+ATOM 10728 CG TRP 40 -5.907 -2.295 -4.642 1.00 0.00 1CD10955
+ATOM 10729 CD1 TRP 40 -7.043 -2.674 -5.252 1.00 0.00 1CD10956
+ATOM 10730 CD2 TRP 40 -6.269 -1.254 -3.693 1.00 0.00 1CD10957
+ATOM 10731 NE1 TRP 40 -8.093 -1.927 -4.744 1.00 0.00 1CD10958
+ATOM 10732 CE2 TRP 40 -7.664 -1.037 -3.775 1.00 0.00 1CD10959
+ATOM 10733 CE3 TRP 40 -5.530 -0.486 -2.777 1.00 0.00 1CD10960
+ATOM 10734 CZ2 TRP 40 -8.304 -0.086 -2.976 1.00 0.00 1CD10961
+ATOM 10735 CZ3 TRP 40 -6.168 0.471 -1.971 1.00 0.00 1CD10962
+ATOM 10736 CH2 TRP 40 -7.553 0.669 -2.070 1.00 0.00 1CD10963
+ATOM 10737 H TRP 40 -2.376 -4.802 -4.527 1.00 0.00 1CD10964
+ATOM 10738 HA TRP 40 -4.872 -4.031 -3.154 1.00 0.00 1CD10965
+ATOM 10739 1HB TRP 40 -3.807 -2.147 -4.659 1.00 0.00 1CD10966
+ATOM 10740 2HB TRP 40 -4.488 -3.103 -5.977 1.00 0.00 1CD10967
+ATOM 10741 HD1 TRP 40 -7.114 -3.436 -6.016 1.00 0.00 1CD10968
+ATOM 10742 HE1 TRP 40 -9.029 -2.002 -5.021 1.00 0.00 1CD10969
+ATOM 10743 HE3 TRP 40 -4.463 -0.632 -2.694 1.00 0.00 1CD10970
+ATOM 10744 HZ2 TRP 40 -9.372 0.064 -3.056 1.00 0.00 1CD10971
+ATOM 10745 HZ3 TRP 40 -5.589 1.055 -1.271 1.00 0.00 1CD10972
+ATOM 10746 HH2 TRP 40 -8.037 1.407 -1.449 1.00 0.00 1CD10973
+ATOM 10747 N LYS 41 -6.225 -5.504 -4.851 1.00 0.00 1CD10974
+ATOM 10748 CA LYS 41 -6.834 -6.661 -5.563 1.00 0.00 1CD10975
+ATOM 10749 C LYS 41 -7.141 -6.267 -7.008 1.00 0.00 1CD10976
+ATOM 10750 O LYS 41 -7.226 -5.101 -7.339 1.00 0.00 1CD10977
+ATOM 10751 CB LYS 41 -8.133 -7.066 -4.862 1.00 0.00 1CD10978
+ATOM 10752 CG LYS 41 -7.939 -8.414 -4.165 1.00 0.00 1CD10979
+ATOM 10753 CD LYS 41 -8.492 -8.336 -2.741 1.00 0.00 1CD10980
+ATOM 10754 CE LYS 41 -7.558 -7.486 -1.878 1.00 0.00 1CD10981
+ATOM 10755 NZ LYS 41 -8.263 -6.244 -1.455 1.00 0.00 1CD10982
+ATOM 10756 H LYS 41 -6.796 -4.864 -4.376 1.00 0.00 1CD10983
+ATOM 10757 HA LYS 41 -6.146 -7.493 -5.555 1.00 0.00 1CD10984
+ATOM 10758 1HB LYS 41 -8.396 -6.316 -4.130 1.00 0.00 1CD10985
+ATOM 10759 2HB LYS 41 -8.925 -7.150 -5.591 1.00 0.00 1CD10986
+ATOM 10760 1HG LYS 41 -8.465 -9.182 -4.715 1.00 0.00 1CD10987
+ATOM 10761 2HG LYS 41 -6.887 -8.652 -4.128 1.00 0.00 1CD10988
+ATOM 10762 1HD LYS 41 -9.474 -7.886 -2.760 1.00 0.00 1CD10989
+ATOM 10763 2HD LYS 41 -8.558 -9.329 -2.325 1.00 0.00 1CD10990
+ATOM 10764 1HE LYS 41 -7.264 -8.049 -1.004 1.00 0.00 1CD10991
+ATOM 10765 2HE LYS 41 -6.678 -7.225 -2.449 1.00 0.00 1CD10992
+ATOM 10766 1HZ LYS 41 -9.254 -6.464 -1.236 1.00 0.00 1CD10993
+ATOM 10767 2HZ LYS 41 -7.801 -5.853 -0.609 1.00 0.00 1CD10994
+ATOM 10768 3HZ LYS 41 -8.224 -5.544 -2.225 1.00 0.00 1CD10995
+ATOM 10769 N PHE 42 -7.314 -7.230 -7.872 1.00 0.00 1CD10996
+ATOM 10770 CA PHE 42 -7.620 -6.911 -9.294 1.00 0.00 1CD10997
+ATOM 10771 C PHE 42 -9.107 -6.594 -9.426 1.00 0.00 1CD10998
+ATOM 10772 O PHE 42 -9.522 -5.860 -10.301 1.00 0.00 1CD10999
+ATOM 10773 CB PHE 42 -7.275 -8.112 -10.173 1.00 0.00 1CD11000
+ATOM 10774 CG PHE 42 -7.249 -7.683 -11.619 1.00 0.00 1CD11001
+ATOM 10775 CD1 PHE 42 -8.443 -7.375 -12.281 1.00 0.00 1CD11002
+ATOM 10776 CD2 PHE 42 -6.028 -7.588 -12.297 1.00 0.00 1CD11003
+ATOM 10777 CE1 PHE 42 -8.417 -6.975 -13.622 1.00 0.00 1CD11004
+ATOM 10778 CE2 PHE 42 -6.002 -7.187 -13.638 1.00 0.00 1CD11005
+ATOM 10779 CZ PHE 42 -7.196 -6.880 -14.300 1.00 0.00 1CD11006
+ATOM 10780 H PHE 42 -7.248 -8.164 -7.585 1.00 0.00 1CD11007
+ATOM 10781 HA PHE 42 -7.040 -6.055 -9.605 1.00 0.00 1CD11008
+ATOM 10782 1HB PHE 42 -6.306 -8.498 -9.893 1.00 0.00 1CD11009
+ATOM 10783 2HB PHE 42 -8.021 -8.882 -10.042 1.00 0.00 1CD11010
+ATOM 10784 HD1 PHE 42 -9.384 -7.448 -11.757 1.00 0.00 1CD11011
+ATOM 10785 HD2 PHE 42 -5.106 -7.826 -11.787 1.00 0.00 1CD11012
+ATOM 10786 HE1 PHE 42 -9.339 -6.738 -14.133 1.00 0.00 1CD11013
+ATOM 10787 HE2 PHE 42 -5.060 -7.114 -14.161 1.00 0.00 1CD11014
+ATOM 10788 HZ PHE 42 -7.177 -6.570 -15.335 1.00 0.00 1CD11015
+ATOM 10789 N GLU 43 -9.917 -7.147 -8.565 1.00 0.00 1CD11016
+ATOM 10790 CA GLU 43 -11.377 -6.880 -8.644 1.00 0.00 1CD11017
+ATOM 10791 C GLU 43 -11.674 -5.497 -8.068 1.00 0.00 1CD11018
+ATOM 10792 O GLU 43 -12.698 -4.904 -8.347 1.00 0.00 1CD11019
+ATOM 10793 CB GLU 43 -12.134 -7.945 -7.848 1.00 0.00 1CD11020
+ATOM 10794 CG GLU 43 -13.639 -7.714 -7.988 1.00 0.00 1CD11021
+ATOM 10795 CD GLU 43 -14.358 -9.063 -8.055 1.00 0.00 1CD11022
+ATOM 10796 OE1 GLU 43 -14.208 -9.743 -9.056 1.00 0.00 1CD11023
+ATOM 10797 OE2 GLU 43 -15.044 -9.393 -7.102 1.00 0.00 1CD11024
+ATOM 10798 H GLU 43 -9.562 -7.739 -7.869 1.00 0.00 1CD11025
+ATOM 10799 HA GLU 43 -11.687 -6.912 -9.675 1.00 0.00 1CD11026
+ATOM 10800 1HB GLU 43 -11.882 -8.924 -8.227 1.00 0.00 1CD11027
+ATOM 10801 2HB GLU 43 -11.857 -7.879 -6.805 1.00 0.00 1CD11028
+ATOM 10802 1HG GLU 43 -13.999 -7.154 -7.137 1.00 0.00 1CD11029
+ATOM 10803 2HG GLU 43 -13.836 -7.160 -8.893 1.00 0.00 1CD11030
+ATOM 10804 N HIS 44 -10.784 -4.974 -7.273 1.00 0.00 1CD11031
+ATOM 10805 CA HIS 44 -11.011 -3.626 -6.687 1.00 0.00 1CD11032
+ATOM 10806 C HIS 44 -10.124 -2.612 -7.409 1.00 0.00 1CD11033
+ATOM 10807 O HIS 44 -9.894 -1.520 -6.931 1.00 0.00 1CD11034
+ATOM 10808 CB HIS 44 -10.658 -3.649 -5.198 1.00 0.00 1CD11035
+ATOM 10809 CG HIS 44 -11.567 -4.609 -4.481 1.00 0.00 1CD11036
+ATOM 10810 ND1 HIS 44 -11.560 -4.741 -3.102 1.00 0.00 1CD11037
+ATOM 10811 CD2 HIS 44 -12.516 -5.490 -4.938 1.00 0.00 1CD11038
+ATOM 10812 CE1 HIS 44 -12.479 -5.670 -2.779 1.00 0.00 1CD11039
+ATOM 10813 NE2 HIS 44 -13.090 -6.159 -3.861 1.00 0.00 1CD11040
+ATOM 10814 H HIS 44 -9.963 -5.466 -7.066 1.00 0.00 1CD11041
+ATOM 10815 HA HIS 44 -12.049 -3.350 -6.809 1.00 0.00 1CD11042
+ATOM 10816 1HB HIS 44 -9.633 -3.964 -5.077 1.00 0.00 1CD11043
+ATOM 10817 2HB HIS 44 -10.783 -2.659 -4.784 1.00 0.00 1CD11044
+ATOM 10818 HD1 HIS 44 -10.990 -4.249 -2.476 1.00 0.00 1CD11045
+ATOM 10819 HD2 HIS 44 -12.776 -5.641 -5.975 1.00 0.00 1CD11046
+ATOM 10820 HE1 HIS 44 -12.695 -5.982 -1.768 1.00 0.00 1CD11047
+ATOM 10821 N CYS 45 -9.626 -2.967 -8.564 1.00 0.00 1CD11048
+ATOM 10822 CA CYS 45 -8.753 -2.024 -9.319 1.00 0.00 1CD11049
+ATOM 10823 C CYS 45 -9.602 -1.241 -10.324 1.00 0.00 1CD11050
+ATOM 10824 O CYS 45 -9.579 -1.507 -11.510 1.00 0.00 1CD11051
+ATOM 10825 CB CYS 45 -7.674 -2.810 -10.069 1.00 0.00 1CD11052
+ATOM 10826 SG CYS 45 -6.068 -2.540 -9.278 1.00 0.00 1CD11053
+ATOM 10827 H CYS 45 -9.826 -3.856 -8.933 1.00 0.00 1CD11054
+ATOM 10828 HA CYS 45 -8.285 -1.336 -8.631 1.00 0.00 1CD11055
+ATOM 10829 1HB CYS 45 -7.914 -3.862 -10.046 1.00 0.00 1CD11056
+ATOM 10830 2HB CYS 45 -7.632 -2.473 -11.095 1.00 0.00 1CD11057
+ATOM 10831 N ASN 46 -10.352 -0.279 -9.860 1.00 0.00 1CD11058
+ATOM 10832 CA ASN 46 -11.201 0.516 -10.791 1.00 0.00 1CD11059
+ATOM 10833 C ASN 46 -11.178 1.988 -10.374 1.00 0.00 1CD11060
+ATOM 10834 O ASN 46 -10.415 2.388 -9.517 1.00 0.00 1CD11061
+ATOM 10835 CB ASN 46 -12.640 -0.003 -10.738 1.00 0.00 1CD11062
+ATOM 10836 CG ASN 46 -12.642 -1.522 -10.918 1.00 0.00 1CD11063
+ATOM 10837 OD1 ASN 46 -12.919 -2.018 -11.992 1.00 0.00 1CD11064
+ATOM 10838 ND2 ASN 46 -12.343 -2.287 -9.904 1.00 0.00 1CD11065
+ATOM 10839 H ASN 46 -10.358 -0.081 -8.900 1.00 0.00 1CD11066
+ATOM 10840 HA ASN 46 -10.821 0.422 -11.797 1.00 0.00 1CD11067
+ATOM 10841 1HB ASN 46 -13.078 0.249 -9.784 1.00 0.00 1CD11068
+ATOM 10842 2HB ASN 46 -13.216 0.451 -11.530 1.00 0.00 1CD11069
+ATOM 10843 1HD2 ASN 46 -12.341 -3.261 -10.009 1.00 0.00 1CD11070
+ATOM 10844 2HD2 ASN 46 -12.120 -1.887 -9.038 1.00 0.00 1CD11071
+ATOM 10845 N PHE 47 -12.010 2.798 -10.970 1.00 0.00 1CD11072
+ATOM 10846 CA PHE 47 -12.034 4.242 -10.603 1.00 0.00 1CD11073
+ATOM 10847 C PHE 47 -12.958 4.451 -9.401 1.00 0.00 1CD11074
+ATOM 10848 O PHE 47 -13.188 5.562 -8.969 1.00 0.00 1CD11075
+ATOM 10849 CB PHE 47 -12.546 5.063 -11.786 1.00 0.00 1CD11076
+ATOM 10850 CG PHE 47 -12.202 6.514 -11.565 1.00 0.00 1CD11077
+ATOM 10851 CD1 PHE 47 -10.974 7.017 -12.007 1.00 0.00 1CD11078
+ATOM 10852 CD2 PHE 47 -13.108 7.355 -10.911 1.00 0.00 1CD11079
+ATOM 10853 CE1 PHE 47 -10.652 8.362 -11.795 1.00 0.00 1CD11080
+ATOM 10854 CE2 PHE 47 -12.788 8.701 -10.699 1.00 0.00 1CD11081
+ATOM 10855 CZ PHE 47 -11.558 9.205 -11.142 1.00 0.00 1CD11082
+ATOM 10856 H PHE 47 -12.619 2.456 -11.657 1.00 0.00 1CD11083
+ATOM 10857 HA PHE 47 -11.034 4.564 -10.348 1.00 0.00 1CD11084
+ATOM 10858 1HB PHE 47 -12.079 4.714 -12.697 1.00 0.00 1CD11085
+ATOM 10859 2HB PHE 47 -13.617 4.955 -11.865 1.00 0.00 1CD11086
+ATOM 10860 HD1 PHE 47 -10.274 6.367 -12.512 1.00 0.00 1CD11087
+ATOM 10861 HD2 PHE 47 -14.057 6.966 -10.570 1.00 0.00 1CD11088
+ATOM 10862 HE1 PHE 47 -9.703 8.750 -12.137 1.00 0.00 1CD11089
+ATOM 10863 HE2 PHE 47 -13.488 9.350 -10.194 1.00 0.00 1CD11090
+ATOM 10864 HZ PHE 47 -11.310 10.243 -10.978 1.00 0.00 1CD11091
+ATOM 10865 N ASN 48 -13.488 3.390 -8.857 1.00 0.00 1CD11092
+ATOM 10866 CA ASN 48 -14.395 3.527 -7.681 1.00 0.00 1CD11093
+ATOM 10867 C ASN 48 -13.966 2.543 -6.590 1.00 0.00 1CD11094
+ATOM 10868 O ASN 48 -14.069 2.824 -5.413 1.00 0.00 1CD11095
+ATOM 10869 CB ASN 48 -15.833 3.222 -8.107 1.00 0.00 1CD11096
+ATOM 10870 CG ASN 48 -16.799 4.093 -7.302 1.00 0.00 1CD11097
+ATOM 10871 OD1 ASN 48 -17.030 5.237 -7.639 1.00 0.00 1CD11098
+ATOM 10872 ND2 ASN 48 -17.378 3.597 -6.242 1.00 0.00 1CD11099
+ATOM 10873 H ASN 48 -13.289 2.505 -9.221 1.00 0.00 1CD11100
+ATOM 10874 HA ASN 48 -14.338 4.535 -7.299 1.00 0.00 1CD11101
+ATOM 10875 1HB ASN 48 -15.948 3.433 -9.159 1.00 0.00 1CD11102
+ATOM 10876 2HB ASN 48 -16.050 2.181 -7.921 1.00 0.00 1CD11103
+ATOM 10877 1HD2 ASN 48 -17.999 4.146 -5.720 1.00 0.00 1CD11104
+ATOM 10878 2HD2 ASN 48 -17.192 2.674 -5.969 1.00 0.00 1CD11105
+ATOM 10879 N ASP 49 -13.487 1.390 -6.971 1.00 0.00 1CD11106
+ATOM 10880 CA ASP 49 -13.053 0.392 -5.954 1.00 0.00 1CD11107
+ATOM 10881 C ASP 49 -11.795 0.896 -5.246 1.00 0.00 1CD11108
+ATOM 10882 O ASP 49 -11.321 0.296 -4.300 1.00 0.00 1CD11109
+ATOM 10883 CB ASP 49 -12.748 -0.939 -6.644 1.00 0.00 1CD11110
+ATOM 10884 CG ASP 49 -14.052 -1.576 -7.127 1.00 0.00 1CD11111
+ATOM 10885 OD1 ASP 49 -14.752 -0.937 -7.895 1.00 0.00 1CD11112
+ATOM 10886 OD2 ASP 49 -14.330 -2.693 -6.721 1.00 0.00 1CD11113
+ATOM 10887 H ASP 49 -13.413 1.181 -7.924 1.00 0.00 1CD11114
+ATOM 10888 HA ASP 49 -13.841 0.249 -5.230 1.00 0.00 1CD11115
+ATOM 10889 1HB ASP 49 -12.096 -0.765 -7.488 1.00 0.00 1CD11116
+ATOM 10890 2HB ASP 49 -12.262 -1.604 -5.945 1.00 0.00 1CD11117
+ATOM 10891 N VAL 50 -11.245 1.992 -5.694 1.00 0.00 1CD11118
+ATOM 10892 CA VAL 50 -10.015 2.524 -5.042 1.00 0.00 1CD11119
+ATOM 10893 C VAL 50 -10.262 3.957 -4.563 1.00 0.00 1CD11120
+ATOM 10894 O VAL 50 -10.067 4.274 -3.409 1.00 0.00 1CD11121
+ATOM 10895 CB VAL 50 -8.859 2.511 -6.044 1.00 0.00 1CD11122
+ATOM 10896 CG1 VAL 50 -7.687 3.319 -5.485 1.00 0.00 1CD11123
+ATOM 10897 CG2 VAL 50 -8.412 1.068 -6.287 1.00 0.00 1CD11124
+ATOM 10898 H VAL 50 -11.636 2.463 -6.459 1.00 0.00 1CD11125
+ATOM 10899 HA VAL 50 -9.762 1.903 -4.195 1.00 0.00 1CD11126
+ATOM 10900 HB VAL 50 -9.186 2.950 -6.976 1.00 0.00 1CD11127
+ATOM 10901 1HG1 VAL 50 -7.648 3.201 -4.412 1.00 0.00 1CD11128
+ATOM 10902 2HG1 VAL 50 -6.765 2.964 -5.920 1.00 0.00 1CD11129
+ATOM 10903 3HG1 VAL 50 -7.821 4.363 -5.727 1.00 0.00 1CD11130
+ATOM 10904 1HG2 VAL 50 -9.206 0.392 -6.004 1.00 0.00 1CD11131
+ATOM 10905 2HG2 VAL 50 -8.182 0.934 -7.334 1.00 0.00 1CD11132
+ATOM 10906 3HG2 VAL 50 -7.533 0.859 -5.696 1.00 0.00 1CD11133
+ATOM 10907 N THR 51 -10.684 4.828 -5.438 1.00 0.00 1CD11134
+ATOM 10908 CA THR 51 -10.934 6.237 -5.020 1.00 0.00 1CD11135
+ATOM 10909 C THR 51 -11.909 6.261 -3.841 1.00 0.00 1CD11136
+ATOM 10910 O THR 51 -11.975 7.219 -3.098 1.00 0.00 1CD11137
+ATOM 10911 CB THR 51 -11.530 7.023 -6.190 1.00 0.00 1CD11138
+ATOM 10912 OG1 THR 51 -12.511 6.228 -6.841 1.00 0.00 1CD11139
+ATOM 10913 CG2 THR 51 -10.421 7.384 -7.180 1.00 0.00 1CD11140
+ATOM 10914 H THR 51 -10.834 4.557 -6.368 1.00 0.00 1CD11141
+ATOM 10915 HA THR 51 -10.001 6.693 -4.722 1.00 0.00 1CD11142
+ATOM 10916 HB THR 51 -11.985 7.928 -5.822 1.00 0.00 1CD11143
+ATOM 10917 HG1 THR 51 -13.192 6.014 -6.198 1.00 0.00 1CD11144
+ATOM 10918 1HG2 THR 51 -9.459 7.215 -6.720 1.00 0.00 1CD11145
+ATOM 10919 2HG2 THR 51 -10.512 6.769 -8.063 1.00 0.00 1CD11146
+ATOM 10920 3HG2 THR 51 -10.509 8.425 -7.456 1.00 0.00 1CD11147
+ATOM 10921 N THR 52 -12.668 5.214 -3.663 1.00 0.00 1CD11148
+ATOM 10922 CA THR 52 -13.635 5.181 -2.533 1.00 0.00 1CD11149
+ATOM 10923 C THR 52 -12.980 4.516 -1.320 1.00 0.00 1CD11150
+ATOM 10924 O THR 52 -13.226 4.888 -0.190 1.00 0.00 1CD11151
+ATOM 10925 CB THR 52 -14.867 4.378 -2.944 1.00 0.00 1CD11152
+ATOM 10926 OG1 THR 52 -15.127 4.590 -4.325 1.00 0.00 1CD11153
+ATOM 10927 CG2 THR 52 -16.071 4.830 -2.121 1.00 0.00 1CD11154
+ATOM 10928 H THR 52 -12.604 4.451 -4.273 1.00 0.00 1CD11155
+ATOM 10929 HA THR 52 -13.930 6.188 -2.278 1.00 0.00 1CD11156
+ATOM 10930 HB THR 52 -14.686 3.330 -2.766 1.00 0.00 1CD11157
+ATOM 10931 HG1 THR 52 -15.628 5.404 -4.410 1.00 0.00 1CD11158
+ATOM 10932 1HG2 THR 52 -16.150 5.906 -2.162 1.00 0.00 1CD11159
+ATOM 10933 2HG2 THR 52 -16.969 4.387 -2.525 1.00 0.00 1CD11160
+ATOM 10934 3HG2 THR 52 -15.943 4.516 -1.097 1.00 0.00 1CD11161
+ATOM 10935 N ARG 53 -12.144 3.537 -1.543 1.00 0.00 1CD11162
+ATOM 10936 CA ARG 53 -11.475 2.857 -0.400 1.00 0.00 1CD11163
+ATOM 10937 C ARG 53 -10.555 3.855 0.300 1.00 0.00 1CD11164
+ATOM 10938 O ARG 53 -10.652 4.081 1.490 1.00 0.00 1CD11165
+ATOM 10939 CB ARG 53 -10.649 1.679 -0.916 1.00 0.00 1CD11166
+ATOM 10940 CG ARG 53 -11.254 0.368 -0.409 1.00 0.00 1CD11167
+ATOM 10941 CD ARG 53 -10.137 -0.542 0.107 1.00 0.00 1CD11168
+ATOM 10942 NE ARG 53 -10.502 -1.062 1.455 1.00 0.00 1CD11169
+ATOM 10943 CZ ARG 53 -10.998 -0.259 2.354 1.00 0.00 1CD11170
+ATOM 10944 NH1 ARG 53 -12.284 -0.235 2.567 1.00 0.00 1CD11171
+ATOM 10945 NH2 ARG 53 -10.209 0.523 3.040 1.00 0.00 1CD11172
+ATOM 10946 H ARG 53 -11.954 3.252 -2.460 1.00 0.00 1CD11173
+ATOM 10947 HA ARG 53 -12.220 2.500 0.296 1.00 0.00 1CD11174
+ATOM 10948 1HB ARG 53 -10.652 1.684 -1.997 1.00 0.00 1CD11175
+ATOM 10949 2HB ARG 53 -9.635 1.767 -0.557 1.00 0.00 1CD11176
+ATOM 10950 1HG ARG 53 -11.950 0.579 0.391 1.00 0.00 1CD11177
+ATOM 10951 2HG ARG 53 -11.773 -0.125 -1.217 1.00 0.00 1CD11178
+ATOM 10952 1HD ARG 53 -10.005 -1.370 -0.574 1.00 0.00 1CD11179
+ATOM 10953 2HD ARG 53 -9.218 0.020 0.173 1.00 0.00 1CD11180
+ATOM 10954 HE ARG 53 -10.368 -2.010 1.666 1.00 0.00 1CD11181
+ATOM 10955 1HH1 ARG 53 -12.889 -0.834 2.041 1.00 0.00 1CD11182
+ATOM 10956 2HH1 ARG 53 -12.666 0.380 3.257 1.00 0.00 1CD11183
+ATOM 10957 1HH2 ARG 53 -9.223 0.505 2.875 1.00 0.00 1CD11184
+ATOM 10958 2HH2 ARG 53 -10.591 1.137 3.730 1.00 0.00 1CD11185
+ATOM 10959 N LEU 54 -9.665 4.459 -0.435 1.00 0.00 1CD11186
+ATOM 10960 CA LEU 54 -8.738 5.448 0.174 1.00 0.00 1CD11187
+ATOM 10961 C LEU 54 -9.507 6.733 0.488 1.00 0.00 1CD11188
+ATOM 10962 O LEU 54 -8.977 7.657 1.075 1.00 0.00 1CD11189
+ATOM 10963 CB LEU 54 -7.607 5.754 -0.807 1.00 0.00 1CD11190
+ATOM 10964 CG LEU 54 -7.031 4.440 -1.332 1.00 0.00 1CD11191
+ATOM 10965 CD1 LEU 54 -6.238 4.703 -2.613 1.00 0.00 1CD11192
+ATOM 10966 CD2 LEU 54 -6.109 3.831 -0.276 1.00 0.00 1CD11193
+ATOM 10967 H LEU 54 -9.609 4.264 -1.391 1.00 0.00 1CD11194
+ATOM 10968 HA LEU 54 -8.325 5.039 1.082 1.00 0.00 1CD11195
+ATOM 10969 1HB LEU 54 -7.992 6.336 -1.631 1.00 0.00 1CD11196
+ATOM 10970 2HB LEU 54 -6.832 6.308 -0.303 1.00 0.00 1CD11197
+ATOM 10971 HG LEU 54 -7.839 3.756 -1.543 1.00 0.00 1CD11198
+ATOM 10972 1HD1 LEU 54 -6.848 5.261 -3.307 1.00 0.00 1CD11199
+ATOM 10973 2HD1 LEU 54 -5.350 5.271 -2.377 1.00 0.00 1CD11200
+ATOM 10974 3HD1 LEU 54 -5.954 3.761 -3.061 1.00 0.00 1CD11201
+ATOM 10975 1HD2 LEU 54 -5.992 4.527 0.542 1.00 0.00 1CD11202
+ATOM 10976 2HD2 LEU 54 -6.543 2.913 0.093 1.00 0.00 1CD11203
+ATOM 10977 3HD2 LEU 54 -5.146 3.624 -0.716 1.00 0.00 1CD11204
+ATOM 10978 N ARG 55 -10.754 6.801 0.103 1.00 0.00 1CD11205
+ATOM 10979 CA ARG 55 -11.554 8.025 0.380 1.00 0.00 1CD11206
+ATOM 10980 C ARG 55 -10.986 9.195 -0.424 1.00 0.00 1CD11207
+ATOM 10981 O ARG 55 -11.021 10.332 0.004 1.00 0.00 1CD11208
+ATOM 10982 CB ARG 55 -11.493 8.347 1.874 1.00 0.00 1CD11209
+ATOM 10983 CG ARG 55 -11.827 7.090 2.679 1.00 0.00 1CD11210
+ATOM 10984 CD ARG 55 -11.435 7.299 4.142 1.00 0.00 1CD11211
+ATOM 10985 NE ARG 55 -10.874 6.031 4.689 1.00 0.00 1CD11212
+ATOM 10986 CZ ARG 55 -10.091 6.060 5.733 1.00 0.00 1CD11213
+ATOM 10987 NH1 ARG 55 -8.796 5.997 5.580 1.00 0.00 1CD11214
+ATOM 10988 NH2 ARG 55 -10.602 6.149 6.930 1.00 0.00 1CD11215
+ATOM 10989 H ARG 55 -11.166 6.046 -0.369 1.00 0.00 1CD11216
+ATOM 10990 HA ARG 55 -12.578 7.852 0.089 1.00 0.00 1CD11217
+ATOM 10991 1HB ARG 55 -10.499 8.686 2.128 1.00 0.00 1CD11218
+ATOM 10992 2HB ARG 55 -12.208 9.122 2.105 1.00 0.00 1CD11219
+ATOM 10993 1HG ARG 55 -12.888 6.892 2.614 1.00 0.00 1CD11220
+ATOM 10994 2HG ARG 55 -11.280 6.250 2.278 1.00 0.00 1CD11221
+ATOM 10995 1HD ARG 55 -10.691 8.079 4.208 1.00 0.00 1CD11222
+ATOM 10996 2HD ARG 55 -12.307 7.582 4.712 1.00 0.00 1CD11223
+ATOM 10997 HE ARG 55 -11.093 5.175 4.265 1.00 0.00 1CD11224
+ATOM 10998 1HH1 ARG 55 -8.404 5.926 4.663 1.00 0.00 1CD11225
+ATOM 10999 2HH1 ARG 55 -8.197 6.018 6.381 1.00 0.00 1CD11226
+ATOM 11000 1HH2 ARG 55 -11.594 6.196 7.048 1.00 0.00 1CD11227
+ATOM 11001 2HH2 ARG 55 -10.002 6.172 7.730 1.00 0.00 1CD11228
+ATOM 11002 N GLU 56 -10.463 8.923 -1.586 1.00 0.00 1CD11229
+ATOM 11003 CA GLU 56 -9.892 10.014 -2.424 1.00 0.00 1CD11230
+ATOM 11004 C GLU 56 -10.638 10.071 -3.760 1.00 0.00 1CD11231
+ATOM 11005 O GLU 56 -11.679 9.468 -3.926 1.00 0.00 1CD11232
+ATOM 11006 CB GLU 56 -8.408 9.736 -2.676 1.00 0.00 1CD11233
+ATOM 11007 CG GLU 56 -7.567 10.437 -1.607 1.00 0.00 1CD11234
+ATOM 11008 CD GLU 56 -6.322 11.046 -2.254 1.00 0.00 1CD11235
+ATOM 11009 OE1 GLU 56 -5.673 10.348 -3.016 1.00 0.00 1CD11236
+ATOM 11010 OE2 GLU 56 -6.040 12.200 -1.979 1.00 0.00 1CD11237
+ATOM 11011 H GLU 56 -10.446 7.998 -1.909 1.00 0.00 1CD11238
+ATOM 11012 HA GLU 56 -9.999 10.957 -1.909 1.00 0.00 1CD11239
+ATOM 11013 1HB GLU 56 -8.228 8.671 -2.635 1.00 0.00 1CD11240
+ATOM 11014 2HB GLU 56 -8.131 10.110 -3.650 1.00 0.00 1CD11241
+ATOM 11015 1HG GLU 56 -8.153 11.219 -1.145 1.00 0.00 1CD11242
+ATOM 11016 2HG GLU 56 -7.267 9.721 -0.858 1.00 0.00 1CD11243
+ATOM 11017 N ASN 57 -10.114 10.794 -4.712 1.00 0.00 1CD11244
+ATOM 11018 CA ASN 57 -10.793 10.890 -6.035 1.00 0.00 1CD11245
+ATOM 11019 C ASN 57 -9.808 11.441 -7.067 1.00 0.00 1CD11246
+ATOM 11020 O ASN 57 -9.758 10.992 -8.195 1.00 0.00 1CD11247
+ATOM 11021 CB ASN 57 -11.996 11.829 -5.925 1.00 0.00 1CD11248
+ATOM 11022 CG ASN 57 -13.119 11.332 -6.837 1.00 0.00 1CD11249
+ATOM 11023 OD1 ASN 57 -13.490 11.999 -7.782 1.00 0.00 1CD11250
+ATOM 11024 ND2 ASN 57 -13.679 10.180 -6.592 1.00 0.00 1CD11251
+ATOM 11025 H ASN 57 -9.274 11.274 -4.557 1.00 0.00 1CD11252
+ATOM 11026 HA ASN 57 -11.127 9.909 -6.342 1.00 0.00 1CD11253
+ATOM 11027 1HB ASN 57 -12.344 11.848 -4.902 1.00 0.00 1CD11254
+ATOM 11028 2HB ASN 57 -11.705 12.825 -6.224 1.00 0.00 1CD11255
+ATOM 11029 1HD2 ASN 57 -14.398 9.852 -7.172 1.00 0.00 1CD11256
+ATOM 11030 2HD2 ASN 57 -13.381 9.641 -5.830 1.00 0.00 1CD11257
+ATOM 11031 N GLU 58 -9.024 12.412 -6.688 1.00 0.00 1CD11258
+ATOM 11032 CA GLU 58 -8.039 12.993 -7.643 1.00 0.00 1CD11259
+ATOM 11033 C GLU 58 -6.738 12.191 -7.580 1.00 0.00 1CD11260
+ATOM 11034 O GLU 58 -5.754 12.632 -7.019 1.00 0.00 1CD11261
+ATOM 11035 CB GLU 58 -7.760 14.448 -7.261 1.00 0.00 1CD11262
+ATOM 11036 CG GLU 58 -8.297 15.375 -8.353 1.00 0.00 1CD11263
+ATOM 11037 CD GLU 58 -8.663 16.729 -7.739 1.00 0.00 1CD11264
+ATOM 11038 OE1 GLU 58 -9.699 16.806 -7.098 1.00 0.00 1CD11265
+ATOM 11039 OE2 GLU 58 -7.903 17.665 -7.921 1.00 0.00 1CD11266
+ATOM 11040 H GLU 58 -9.081 12.758 -5.773 1.00 0.00 1CD11267
+ATOM 11041 HA GLU 58 -8.441 12.953 -8.645 1.00 0.00 1CD11268
+ATOM 11042 1HB GLU 58 -8.248 14.673 -6.323 1.00 0.00 1CD11269
+ATOM 11043 2HB GLU 58 -6.697 14.595 -7.157 1.00 0.00 1CD11270
+ATOM 11044 1HG GLU 58 -7.538 15.516 -9.108 1.00 0.00 1CD11271
+ATOM 11045 2HG GLU 58 -9.175 14.936 -8.801 1.00 0.00 1CD11272
+ATOM 11046 N LEU 59 -6.723 11.015 -8.146 1.00 0.00 1CD11273
+ATOM 11047 CA LEU 59 -5.483 10.190 -8.110 1.00 0.00 1CD11274
+ATOM 11048 C LEU 59 -5.388 9.341 -9.381 1.00 0.00 1CD11275
+ATOM 11049 O LEU 59 -6.329 9.233 -10.142 1.00 0.00 1CD11276
+ATOM 11050 CB LEU 59 -5.522 9.270 -6.887 1.00 0.00 1CD11277
+ATOM 11051 CG LEU 59 -6.877 8.563 -6.824 1.00 0.00 1CD11278
+ATOM 11052 CD1 LEU 59 -6.764 7.181 -7.469 1.00 0.00 1CD11279
+ATOM 11053 CD2 LEU 59 -7.304 8.409 -5.362 1.00 0.00 1CD11280
+ATOM 11054 H LEU 59 -7.528 10.675 -8.592 1.00 0.00 1CD11281
+ATOM 11055 HA LEU 59 -4.622 10.837 -8.045 1.00 0.00 1CD11282
+ATOM 11056 1HB LEU 59 -4.734 8.534 -6.967 1.00 0.00 1CD11283
+ATOM 11057 2HB LEU 59 -5.380 9.856 -5.992 1.00 0.00 1CD11284
+ATOM 11058 HG LEU 59 -7.613 9.149 -7.357 1.00 0.00 1CD11285
+ATOM 11059 1HD1 LEU 59 -6.205 7.257 -8.389 1.00 0.00 1CD11286
+ATOM 11060 2HD1 LEU 59 -6.255 6.509 -6.793 1.00 0.00 1CD11287
+ATOM 11061 3HD1 LEU 59 -7.752 6.799 -7.678 1.00 0.00 1CD11288
+ATOM 11062 1HD2 LEU 59 -6.563 8.863 -4.721 1.00 0.00 1CD11289
+ATOM 11063 2HD2 LEU 59 -8.257 8.894 -5.211 1.00 0.00 1CD11290
+ATOM 11064 3HD2 LEU 59 -7.393 7.359 -5.122 1.00 0.00 1CD11291
+ATOM 11065 N THR 60 -4.256 8.733 -9.609 1.00 0.00 1CD11292
+ATOM 11066 CA THR 60 -4.091 7.883 -10.821 1.00 0.00 1CD11293
+ATOM 11067 C THR 60 -3.671 6.476 -10.388 1.00 0.00 1CD11294
+ATOM 11068 O THR 60 -2.540 6.070 -10.569 1.00 0.00 1CD11295
+ATOM 11069 CB THR 60 -3.012 8.486 -11.724 1.00 0.00 1CD11296
+ATOM 11070 OG1 THR 60 -2.190 9.357 -10.959 1.00 0.00 1CD11297
+ATOM 11071 CG2 THR 60 -3.671 9.270 -12.861 1.00 0.00 1CD11298
+ATOM 11072 H THR 60 -3.512 8.832 -8.978 1.00 0.00 1CD11299
+ATOM 11073 HA THR 60 -5.027 7.833 -11.359 1.00 0.00 1CD11300
+ATOM 11074 HB THR 60 -2.407 7.695 -12.142 1.00 0.00 1CD11301
+ATOM 11075 HG1 THR 60 -1.299 9.314 -11.314 1.00 0.00 1CD11302
+ATOM 11076 1HG2 THR 60 -4.740 9.289 -12.713 1.00 0.00 1CD11303
+ATOM 11077 2HG2 THR 60 -3.290 10.281 -12.868 1.00 0.00 1CD11304
+ATOM 11078 3HG2 THR 60 -3.445 8.795 -13.804 1.00 0.00 1CD11305
+ATOM 11079 N TYR 61 -4.573 5.735 -9.806 1.00 0.00 1CD11306
+ATOM 11080 CA TYR 61 -4.231 4.358 -9.345 1.00 0.00 1CD11307
+ATOM 11081 C TYR 61 -3.729 3.521 -10.525 1.00 0.00 1CD11308
+ATOM 11082 O TYR 61 -4.399 3.378 -11.528 1.00 0.00 1CD11309
+ATOM 11083 CB TYR 61 -5.476 3.701 -8.742 1.00 0.00 1CD11310
+ATOM 11084 CG TYR 61 -6.424 3.294 -9.847 1.00 0.00 1CD11311
+ATOM 11085 CD1 TYR 61 -7.310 4.231 -10.394 1.00 0.00 1CD11312
+ATOM 11086 CD2 TYR 61 -6.415 1.978 -10.326 1.00 0.00 1CD11313
+ATOM 11087 CE1 TYR 61 -8.186 3.851 -11.418 1.00 0.00 1CD11314
+ATOM 11088 CE2 TYR 61 -7.291 1.599 -11.351 1.00 0.00 1CD11315
+ATOM 11089 CZ TYR 61 -8.176 2.537 -11.897 1.00 0.00 1CD11316
+ATOM 11090 OH TYR 61 -9.039 2.164 -12.907 1.00 0.00 1CD11317
+ATOM 11091 H TYR 61 -5.477 6.087 -9.662 1.00 0.00 1CD11318
+ATOM 11092 HA TYR 61 -3.458 4.416 -8.593 1.00 0.00 1CD11319
+ATOM 11093 1HB TYR 61 -5.185 2.827 -8.178 1.00 0.00 1CD11320
+ATOM 11094 2HB TYR 61 -5.972 4.403 -8.087 1.00 0.00 1CD11321
+ATOM 11095 HD1 TYR 61 -7.317 5.246 -10.024 1.00 0.00 1CD11322
+ATOM 11096 HD2 TYR 61 -5.732 1.255 -9.905 1.00 0.00 1CD11323
+ATOM 11097 HE1 TYR 61 -8.869 4.574 -11.839 1.00 0.00 1CD11324
+ATOM 11098 HE2 TYR 61 -7.283 0.584 -11.720 1.00 0.00 1CD11325
+ATOM 11099 HH TYR 61 -8.539 2.123 -13.725 1.00 0.00 1CD11326
+ATOM 11100 N TYR 62 -2.556 2.957 -10.407 1.00 0.00 1CD11327
+ATOM 11101 CA TYR 62 -2.018 2.122 -11.518 1.00 0.00 1CD11328
+ATOM 11102 C TYR 62 -1.711 0.716 -10.994 1.00 0.00 1CD11329
+ATOM 11103 O TYR 62 -0.730 0.498 -10.312 1.00 0.00 1CD11330
+ATOM 11104 CB TYR 62 -0.737 2.760 -12.059 1.00 0.00 1CD11331
+ATOM 11105 CG TYR 62 -0.126 1.855 -13.099 1.00 0.00 1CD11332
+ATOM 11106 CD1 TYR 62 -0.698 1.767 -14.373 1.00 0.00 1CD11333
+ATOM 11107 CD2 TYR 62 1.015 1.104 -12.790 1.00 0.00 1CD11334
+ATOM 11108 CE1 TYR 62 -0.130 0.929 -15.339 1.00 0.00 1CD11335
+ATOM 11109 CE2 TYR 62 1.582 0.265 -13.756 1.00 0.00 1CD11336
+ATOM 11110 CZ TYR 62 1.009 0.177 -15.031 1.00 0.00 1CD11337
+ATOM 11111 OH TYR 62 1.569 -0.648 -15.985 1.00 0.00 1CD11338
+ATOM 11112 H TYR 62 -2.032 3.080 -9.586 1.00 0.00 1CD11339
+ATOM 11113 HA TYR 62 -2.751 2.059 -12.309 1.00 0.00 1CD11340
+ATOM 11114 1HB TYR 62 -0.973 3.715 -12.505 1.00 0.00 1CD11341
+ATOM 11115 2HB TYR 62 -0.037 2.904 -11.250 1.00 0.00 1CD11342
+ATOM 11116 HD1 TYR 62 -1.578 2.347 -14.610 1.00 0.00 1CD11343
+ATOM 11117 HD2 TYR 62 1.456 1.172 -11.807 1.00 0.00 1CD11344
+ATOM 11118 HE1 TYR 62 -0.572 0.861 -16.323 1.00 0.00 1CD11345
+ATOM 11119 HE2 TYR 62 2.462 -0.315 -13.518 1.00 0.00 1CD11346
+ATOM 11120 HH TYR 62 1.268 -0.353 -16.847 1.00 0.00 1CD11347
+ATOM 11121 N CYS 63 -2.546 -0.239 -11.306 1.00 0.00 1CD11348
+ATOM 11122 CA CYS 63 -2.303 -1.629 -10.823 1.00 0.00 1CD11349
+ATOM 11123 C CYS 63 -1.161 -2.257 -11.623 1.00 0.00 1CD11350
+ATOM 11124 O CYS 63 -0.903 -1.885 -12.751 1.00 0.00 1CD11351
+ATOM 11125 CB CYS 63 -3.576 -2.462 -11.001 1.00 0.00 1CD11352
+ATOM 11126 SG CYS 63 -5.026 -1.445 -10.620 1.00 0.00 1CD11353
+ATOM 11127 H CYS 63 -3.333 -0.043 -11.856 1.00 0.00 1CD11354
+ATOM 11128 HA CYS 63 -2.034 -1.603 -9.779 1.00 0.00 1CD11355
+ATOM 11129 1HB CYS 63 -3.638 -2.810 -12.021 1.00 0.00 1CD11356
+ATOM 11130 2HB CYS 63 -3.547 -3.310 -10.333 1.00 0.00 1CD11357
+ATOM 11131 N CYS 64 -0.470 -3.204 -11.048 1.00 0.00 1CD11358
+ATOM 11132 CA CYS 64 0.659 -3.850 -11.780 1.00 0.00 1CD11359
+ATOM 11133 C CYS 64 0.808 -5.304 -11.331 1.00 0.00 1CD11360
+ATOM 11134 O CYS 64 -0.015 -5.832 -10.608 1.00 0.00 1CD11361
+ATOM 11135 CB CYS 64 1.956 -3.093 -11.487 1.00 0.00 1CD11362
+ATOM 11136 SG CYS 64 3.023 -3.138 -12.949 1.00 0.00 1CD11363
+ATOM 11137 H CYS 64 -0.691 -3.491 -10.135 1.00 0.00 1CD11364
+ATOM 11138 HA CYS 64 0.459 -3.821 -12.842 1.00 0.00 1CD11365
+ATOM 11139 1HB CYS 64 1.727 -2.067 -11.240 1.00 0.00 1CD11366
+ATOM 11140 2HB CYS 64 2.465 -3.559 -10.657 1.00 0.00 1CD11367
+ATOM 11141 N LYS 65 1.856 -5.956 -11.758 1.00 0.00 1CD11368
+ATOM 11142 CA LYS 65 2.069 -7.376 -11.363 1.00 0.00 1CD11369
+ATOM 11143 C LYS 65 3.514 -7.771 -11.673 1.00 0.00 1CD11370
+ATOM 11144 O LYS 65 3.780 -8.846 -12.173 1.00 0.00 1CD11371
+ATOM 11145 CB LYS 65 1.114 -8.271 -12.158 1.00 0.00 1CD11372
+ATOM 11146 CG LYS 65 0.636 -9.425 -11.276 1.00 0.00 1CD11373
+ATOM 11147 CD LYS 65 -0.502 -10.168 -11.980 1.00 0.00 1CD11374
+ATOM 11148 CE LYS 65 -1.672 -9.210 -12.211 1.00 0.00 1CD11375
+ATOM 11149 NZ LYS 65 -2.884 -9.989 -12.590 1.00 0.00 1CD11376
+ATOM 11150 H LYS 65 2.504 -5.510 -12.339 1.00 0.00 1CD11377
+ATOM 11151 HA LYS 65 1.879 -7.492 -10.306 1.00 0.00 1CD11378
+ATOM 11152 1HB LYS 65 0.264 -7.690 -12.483 1.00 0.00 1CD11379
+ATOM 11153 2HB LYS 65 1.629 -8.670 -13.020 1.00 0.00 1CD11380
+ATOM 11154 1HG LYS 65 1.455 -10.106 -11.098 1.00 0.00 1CD11381
+ATOM 11155 2HG LYS 65 0.281 -9.035 -10.334 1.00 0.00 1CD11382
+ATOM 11156 1HD LYS 65 -0.150 -10.543 -12.930 1.00 0.00 1CD11383
+ATOM 11157 2HD LYS 65 -0.829 -10.992 -11.364 1.00 0.00 1CD11384
+ATOM 11158 1HE LYS 65 -1.869 -8.658 -11.304 1.00 0.00 1CD11385
+ATOM 11159 2HE LYS 65 -1.422 -8.520 -13.003 1.00 0.00 1CD11386
+ATOM 11160 1HZ LYS 65 -2.762 -10.981 -12.309 1.00 0.00 1CD11387
+ATOM 11161 2HZ LYS 65 -3.717 -9.590 -12.110 1.00 0.00 1CD11388
+ATOM 11162 3HZ LYS 65 -3.021 -9.938 -13.620 1.00 0.00 1CD11389
+ATOM 11163 N LYS 66 4.453 -6.908 -11.384 1.00 0.00 1CD11390
+ATOM 11164 CA LYS 66 5.877 -7.238 -11.671 1.00 0.00 1CD11391
+ATOM 11165 C LYS 66 6.736 -6.964 -10.431 1.00 0.00 1CD11392
+ATOM 11166 O LYS 66 6.332 -6.263 -9.526 1.00 0.00 1CD11393
+ATOM 11167 CB LYS 66 6.375 -6.379 -12.835 1.00 0.00 1CD11394
+ATOM 11168 CG LYS 66 6.671 -7.273 -14.040 1.00 0.00 1CD11395
+ATOM 11169 CD LYS 66 5.799 -6.841 -15.220 1.00 0.00 1CD11396
+ATOM 11170 CE LYS 66 6.312 -5.508 -15.772 1.00 0.00 1CD11397
+ATOM 11171 NZ LYS 66 5.515 -5.128 -16.970 1.00 0.00 1CD11398
+ATOM 11172 H LYS 66 4.219 -6.044 -10.985 1.00 0.00 1CD11399
+ATOM 11173 HA LYS 66 5.957 -8.282 -11.938 1.00 0.00 1CD11400
+ATOM 11174 1HB LYS 66 5.615 -5.657 -13.099 1.00 0.00 1CD11401
+ATOM 11175 2HB LYS 66 7.277 -5.863 -12.542 1.00 0.00 1CD11402
+ATOM 11176 1HG LYS 66 7.713 -7.182 -14.309 1.00 0.00 1CD11403
+ATOM 11177 2HG LYS 66 6.451 -8.299 -13.790 1.00 0.00 1CD11404
+ATOM 11178 1HD LYS 66 5.842 -7.593 -15.995 1.00 0.00 1CD11405
+ATOM 11179 2HD LYS 66 4.778 -6.722 -14.890 1.00 0.00 1CD11406
+ATOM 11180 1HE LYS 66 6.213 -4.744 -15.015 1.00 0.00 1CD11407
+ATOM 11181 2HE LYS 66 7.352 -5.609 -16.046 1.00 0.00 1CD11408
+ATOM 11182 1HZ LYS 66 5.359 -5.968 -17.564 1.00 0.00 1CD11409
+ATOM 11183 2HZ LYS 66 4.599 -4.739 -16.669 1.00 0.00 1CD11410
+ATOM 11184 3HZ LYS 66 6.031 -4.409 -17.515 1.00 0.00 1CD11411
+ATOM 11185 N ASP 67 7.916 -7.521 -10.389 1.00 0.00 1CD11412
+ATOM 11186 CA ASP 67 8.809 -7.306 -9.214 1.00 0.00 1CD11413
+ATOM 11187 C ASP 67 8.991 -5.808 -8.956 1.00 0.00 1CD11414
+ATOM 11188 O ASP 67 9.546 -5.087 -9.762 1.00 0.00 1CD11415
+ATOM 11189 CB ASP 67 10.174 -7.936 -9.493 1.00 0.00 1CD11416
+ATOM 11190 CG ASP 67 10.798 -7.275 -10.723 1.00 0.00 1CD11417
+ATOM 11191 OD1 ASP 67 10.453 -7.670 -11.824 1.00 0.00 1CD11418
+ATOM 11192 OD2 ASP 67 11.611 -6.382 -10.542 1.00 0.00 1CD11419
+ATOM 11193 H ASP 67 8.214 -8.086 -11.131 1.00 0.00 1CD11420
+ATOM 11194 HA ASP 67 8.373 -7.770 -8.340 1.00 0.00 1CD11421
+ATOM 11195 1HB ASP 67 10.820 -7.792 -8.638 1.00 0.00 1CD11422
+ATOM 11196 2HB ASP 67 10.052 -8.993 -9.678 1.00 0.00 1CD11423
+ATOM 11197 N LEU 68 8.534 -5.339 -7.828 1.00 0.00 1CD11424
+ATOM 11198 CA LEU 68 8.679 -3.895 -7.493 1.00 0.00 1CD11425
+ATOM 11199 C LEU 68 8.183 -3.033 -8.652 1.00 0.00 1CD11426
+ATOM 11200 O LEU 68 8.842 -2.101 -9.068 1.00 0.00 1CD11427
+ATOM 11201 CB LEU 68 10.151 -3.577 -7.222 1.00 0.00 1CD11428
+ATOM 11202 CG LEU 68 10.753 -4.654 -6.319 1.00 0.00 1CD11429
+ATOM 11203 CD1 LEU 68 12.272 -4.680 -6.499 1.00 0.00 1CD11430
+ATOM 11204 CD2 LEU 68 10.419 -4.339 -4.860 1.00 0.00 1CD11431
+ATOM 11205 H LEU 68 8.098 -5.943 -7.195 1.00 0.00 1CD11432
+ATOM 11206 HA LEU 68 8.099 -3.677 -6.609 1.00 0.00 1CD11433
+ATOM 11207 1HB LEU 68 10.690 -3.550 -8.158 1.00 0.00 1CD11434
+ATOM 11208 2HB LEU 68 10.229 -2.618 -6.734 1.00 0.00 1CD11435
+ATOM 11209 HG LEU 68 10.342 -5.618 -6.585 1.00 0.00 1CD11436
+ATOM 11210 1HD1 LEU 68 12.617 -3.698 -6.790 1.00 0.00 1CD11437
+ATOM 11211 2HD1 LEU 68 12.741 -4.964 -5.569 1.00 0.00 1CD11438
+ATOM 11212 3HD1 LEU 68 12.532 -5.394 -7.267 1.00 0.00 1CD11439
+ATOM 11213 1HD2 LEU 68 10.338 -3.271 -4.732 1.00 0.00 1CD11440
+ATOM 11214 2HD2 LEU 68 9.481 -4.805 -4.596 1.00 0.00 1CD11441
+ATOM 11215 3HD2 LEU 68 11.202 -4.721 -4.221 1.00 0.00 1CD11442
+ATOM 11216 N CYS 69 7.025 -3.326 -9.177 1.00 0.00 1CD11443
+ATOM 11217 CA CYS 69 6.500 -2.505 -10.306 1.00 0.00 1CD11444
+ATOM 11218 C CYS 69 6.077 -1.131 -9.780 1.00 0.00 1CD11445
+ATOM 11219 O CYS 69 6.019 -0.166 -10.515 1.00 0.00 1CD11446
+ATOM 11220 CB CYS 69 5.292 -3.200 -10.940 1.00 0.00 1CD11447
+ATOM 11221 SG CYS 69 4.722 -2.223 -12.355 1.00 0.00 1CD11448
+ATOM 11222 H CYS 69 6.503 -4.079 -8.827 1.00 0.00 1CD11449
+ATOM 11223 HA CYS 69 7.274 -2.381 -11.049 1.00 0.00 1CD11450
+ATOM 11224 1HB CYS 69 5.577 -4.186 -11.274 1.00 0.00 1CD11451
+ATOM 11225 2HB CYS 69 4.498 -3.280 -10.213 1.00 0.00 1CD11452
+ATOM 11226 N ASN 70 5.781 -1.034 -8.512 1.00 0.00 1CD11453
+ATOM 11227 CA ASN 70 5.363 0.280 -7.946 1.00 0.00 1CD11454
+ATOM 11228 C ASN 70 6.588 1.010 -7.390 1.00 0.00 1CD11455
+ATOM 11229 O ASN 70 6.722 1.202 -6.198 1.00 0.00 1CD11456
+ATOM 11230 CB ASN 70 4.351 0.050 -6.820 1.00 0.00 1CD11457
+ATOM 11231 CG ASN 70 5.024 -0.704 -5.672 1.00 0.00 1CD11458
+ATOM 11232 OD1 ASN 70 6.059 -1.314 -5.854 1.00 0.00 1CD11459
+ATOM 11233 ND2 ASN 70 4.474 -0.689 -4.489 1.00 0.00 1CD11460
+ATOM 11234 H ASN 70 5.833 -1.824 -7.935 1.00 0.00 1CD11461
+ATOM 11235 HA ASN 70 4.909 0.878 -8.721 1.00 0.00 1CD11462
+ATOM 11236 1HB ASN 70 3.991 1.004 -6.462 1.00 0.00 1CD11463
+ATOM 11237 2HB ASN 70 3.523 -0.531 -7.194 1.00 0.00 1CD11464
+ATOM 11238 1HD2 ASN 70 4.896 -1.169 -3.746 1.00 0.00 1CD11465
+ATOM 11239 2HD2 ASN 70 3.639 -0.196 -4.343 1.00 0.00 1CD11466
+ATOM 11240 N PHE 71 7.483 1.420 -8.247 1.00 0.00 1CD11467
+ATOM 11241 CA PHE 71 8.699 2.139 -7.769 1.00 0.00 1CD11468
+ATOM 11242 C PHE 71 8.534 3.639 -8.018 1.00 0.00 1CD11469
+ATOM 11243 O PHE 71 9.485 4.341 -8.301 1.00 0.00 1CD11470
+ATOM 11244 CB PHE 71 9.927 1.628 -8.529 1.00 0.00 1CD11471
+ATOM 11245 CG PHE 71 9.548 1.348 -9.964 1.00 0.00 1CD11472
+ATOM 11246 CD1 PHE 71 8.968 2.356 -10.744 1.00 0.00 1CD11473
+ATOM 11247 CD2 PHE 71 9.774 0.081 -10.514 1.00 0.00 1CD11474
+ATOM 11248 CE1 PHE 71 8.613 2.096 -12.073 1.00 0.00 1CD11475
+ATOM 11249 CE2 PHE 71 9.419 -0.179 -11.842 1.00 0.00 1CD11476
+ATOM 11250 CZ PHE 71 8.838 0.828 -12.622 1.00 0.00 1CD11477
+ATOM 11251 H PHE 71 7.354 1.256 -9.203 1.00 0.00 1CD11478
+ATOM 11252 HA PHE 71 8.830 1.962 -6.713 1.00 0.00 1CD11479
+ATOM 11253 1HB PHE 71 10.704 2.376 -8.500 1.00 0.00 1CD11480
+ATOM 11254 2HB PHE 71 10.283 0.719 -8.068 1.00 0.00 1CD11481
+ATOM 11255 HD1 PHE 71 8.793 3.334 -10.321 1.00 0.00 1CD11482
+ATOM 11256 HD2 PHE 71 10.222 -0.696 -9.912 1.00 0.00 1CD11483
+ATOM 11257 HE1 PHE 71 8.164 2.873 -12.674 1.00 0.00 1CD11484
+ATOM 11258 HE2 PHE 71 9.593 -1.156 -12.265 1.00 0.00 1CD11485
+ATOM 11259 HZ PHE 71 8.565 0.626 -13.647 1.00 0.00 1CD11486
+ATOM 11260 N ASN 72 7.332 4.134 -7.917 1.00 0.00 1CD11487
+ATOM 11261 CA ASN 72 7.099 5.588 -8.149 1.00 0.00 1CD11488
+ATOM 11262 C ASN 72 7.877 6.040 -9.388 1.00 0.00 1CD11489
+ATOM 11263 O ASN 72 8.890 6.703 -9.289 1.00 0.00 1CD11490
+ATOM 11264 CB ASN 72 7.570 6.389 -6.930 1.00 0.00 1CD11491
+ATOM 11265 CG ASN 72 7.427 5.537 -5.666 1.00 0.00 1CD11492
+ATOM 11266 OD1 ASN 72 6.611 4.638 -5.615 1.00 0.00 1CD11493
+ATOM 11267 ND2 ASN 72 8.191 5.783 -4.637 1.00 0.00 1CD11494
+ATOM 11268 H ASN 72 6.581 3.549 -7.689 1.00 0.00 1CD11495
+ATOM 11269 HA ASN 72 6.044 5.760 -8.307 1.00 0.00 1CD11496
+ATOM 11270 1HB ASN 72 8.606 6.667 -7.062 1.00 0.00 1CD11497
+ATOM 11271 2HB ASN 72 6.968 7.279 -6.831 1.00 0.00 1CD11498
+ATOM 11272 1HD2 ASN 72 8.108 5.244 -3.824 1.00 0.00 1CD11499
+ATOM 11273 2HD2 ASN 72 8.849 6.509 -4.679 1.00 0.00 1CD11500
+ATOM 11274 N GLU 73 7.408 5.687 -10.554 1.00 0.00 1CD11501
+ATOM 11275 CA GLU 73 8.118 6.094 -11.798 1.00 0.00 1CD11502
+ATOM 11276 C GLU 73 7.465 5.414 -13.002 1.00 0.00 1CD11503
+ATOM 11277 O GLU 73 8.126 5.035 -13.948 1.00 0.00 1CD11504
+ATOM 11278 CB GLU 73 9.587 5.671 -11.707 1.00 0.00 1CD11505
+ATOM 11279 CG GLU 73 10.483 6.843 -12.110 1.00 0.00 1CD11506
+ATOM 11280 CD GLU 73 11.950 6.448 -11.930 1.00 0.00 1CD11507
+ATOM 11281 OE1 GLU 73 12.429 6.518 -10.810 1.00 0.00 1CD11508
+ATOM 11282 OE2 GLU 73 12.570 6.083 -12.914 1.00 0.00 1CD11509
+ATOM 11283 H GLU 73 6.588 5.153 -10.611 1.00 0.00 1CD11510
+ATOM 11284 HA GLU 73 8.059 7.167 -11.913 1.00 0.00 1CD11511
+ATOM 11285 1HB GLU 73 9.813 5.375 -10.694 1.00 0.00 1CD11512
+ATOM 11286 2HB GLU 73 9.764 4.840 -12.375 1.00 0.00 1CD11513
+ATOM 11287 1HG GLU 73 10.301 7.096 -13.144 1.00 0.00 1CD11514
+ATOM 11288 2HG GLU 73 10.263 7.696 -11.485 1.00 0.00 1CD11515
+ATOM 11289 N GLN 74 6.170 5.254 -12.975 1.00 0.00 1CD11516
+ATOM 11290 CA GLN 74 5.475 4.597 -14.119 1.00 0.00 1CD11517
+ATOM 11291 C GLN 74 4.645 5.634 -14.879 1.00 0.00 1CD11518
+ATOM 11292 O GLN 74 5.023 6.087 -15.941 1.00 0.00 1CD11519
+ATOM 11293 CB GLN 74 4.554 3.493 -13.592 1.00 0.00 1CD11520
+ATOM 11294 CG GLN 74 5.286 2.150 -13.641 1.00 0.00 1CD11521
+ATOM 11295 CD GLN 74 5.503 1.738 -15.098 1.00 0.00 1CD11522
+ATOM 11296 OE1 GLN 74 5.369 2.545 -15.997 1.00 0.00 1CD11523
+ATOM 11297 NE2 GLN 74 5.834 0.505 -15.373 1.00 0.00 1CD11524
+ATOM 11298 H GLN 74 5.653 5.566 -12.203 1.00 0.00 1CD11525
+ATOM 11299 HA GLN 74 6.208 4.166 -14.784 1.00 0.00 1CD11526
+ATOM 11300 1HB GLN 74 4.275 3.715 -12.572 1.00 0.00 1CD11527
+ATOM 11301 2HB GLN 74 3.668 3.440 -14.206 1.00 0.00 1CD11528
+ATOM 11302 1HG GLN 74 6.243 2.243 -13.146 1.00 0.00 1CD11529
+ATOM 11303 2HG GLN 74 4.693 1.399 -13.141 1.00 0.00 1CD11530
+ATOM 11304 1HE2 GLN 74 5.976 0.233 -16.303 1.00 0.00 1CD11531
+ATOM 11305 2HE2 GLN 74 5.942 -0.146 -14.649 1.00 0.00 1CD11532
+ATOM 11306 N LEU 75 3.516 6.013 -14.344 1.00 0.00 1CD11533
+ATOM 11307 CA LEU 75 2.664 7.021 -15.038 1.00 0.00 1CD11534
+ATOM 11308 C LEU 75 3.466 8.305 -15.253 1.00 0.00 1CD11535
+ATOM 11309 O LEU 75 3.266 9.021 -16.214 1.00 0.00 1CD11536
+ATOM 11310 CB LEU 75 1.434 7.325 -14.178 1.00 0.00 1CD11537
+ATOM 11311 CG LEU 75 0.730 6.018 -13.814 1.00 0.00 1CD11538
+ATOM 11312 CD1 LEU 75 0.938 5.722 -12.328 1.00 0.00 1CD11539
+ATOM 11313 CD2 LEU 75 -0.768 6.149 -14.099 1.00 0.00 1CD11540
+ATOM 11314 H LEU 75 3.229 5.636 -13.487 1.00 0.00 1CD11541
+ATOM 11315 HA LEU 75 2.349 6.628 -15.993 1.00 0.00 1CD11542
+ATOM 11316 1HB LEU 75 1.744 7.832 -13.277 1.00 0.00 1CD11543
+ATOM 11317 2HB LEU 75 0.755 7.956 -14.733 1.00 0.00 1CD11544
+ATOM 11318 HG LEU 75 1.141 5.211 -14.402 1.00 0.00 1CD11545
+ATOM 11319 1HD1 LEU 75 1.110 6.647 -11.797 1.00 0.00 1CD11546
+ATOM 11320 2HD1 LEU 75 0.059 5.237 -11.930 1.00 0.00 1CD11547
+ATOM 11321 3HD1 LEU 75 1.794 5.073 -12.207 1.00 0.00 1CD11548
+ATOM 11322 1HD2 LEU 75 -1.061 7.186 -14.018 1.00 0.00 1CD11549
+ATOM 11323 2HD2 LEU 75 -0.977 5.793 -15.096 1.00 0.00 1CD11550
+ATOM 11324 3HD2 LEU 75 -1.325 5.562 -13.383 1.00 0.00 1CD11551
+ATOM 11325 N GLU 76 4.375 8.604 -14.365 1.00 0.00 1CD11552
+ATOM 11326 CA GLU 76 5.191 9.843 -14.517 1.00 0.00 1CD11553
+ATOM 11327 C GLU 76 4.283 11.069 -14.402 1.00 0.00 1CD11554
+ATOM 11328 O GLU 76 3.658 11.484 -15.358 1.00 0.00 1CD11555
+ATOM 11329 CB GLU 76 5.876 9.841 -15.886 1.00 0.00 1CD11556
+ATOM 11330 CG GLU 76 6.981 10.899 -15.905 1.00 0.00 1CD11557
+ATOM 11331 CD GLU 76 7.992 10.563 -17.003 1.00 0.00 1CD11558
+ATOM 11332 OE1 GLU 76 7.864 9.504 -17.595 1.00 0.00 1CD11559
+ATOM 11333 OE2 GLU 76 8.877 11.372 -17.234 1.00 0.00 1CD11560
+ATOM 11334 H GLU 76 4.521 8.013 -13.597 1.00 0.00 1CD11561
+ATOM 11335 HA GLU 76 5.940 9.876 -13.740 1.00 0.00 1CD11562
+ATOM 11336 1HB GLU 76 6.306 8.867 -16.072 1.00 0.00 1CD11563
+ATOM 11337 2HB GLU 76 5.150 10.067 -16.652 1.00 0.00 1CD11564
+ATOM 11338 1HG GLU 76 6.547 11.869 -16.098 1.00 0.00 1CD11565
+ATOM 11339 2HG GLU 76 7.483 10.913 -14.949 1.00 0.00 1CD11566
+ATOM 11340 N ASN 77 4.207 11.655 -13.237 1.00 0.00 1CD11567
+ATOM 11341 CA ASN 77 3.342 12.856 -13.063 1.00 0.00 1CD11568
+ATOM 11342 C ASN 77 4.200 14.038 -12.609 1.00 0.00 1CD11569
+ATOM 11343 O ASN 77 4.106 15.086 -13.228 1.00 0.00 1CD11570
+ATOM 11344 CB ASN 77 2.274 12.566 -12.006 1.00 0.00 1CD11571
+ATOM 11345 CG ASN 77 0.892 12.565 -12.662 1.00 0.00 1CD11572
+ATOM 11346 OD1 ASN 77 0.743 12.978 -13.795 1.00 0.00 1CD11573
+ATOM 11347 ND2 ASN 77 -0.133 12.115 -11.992 1.00 0.00 1CD11574
+ATOM 11348 OXT ASN 77 4.936 13.876 -11.650 1.00 0.00 1CD11575
+ATOM 11349 H ASN 77 4.719 11.306 -12.479 1.00 0.00 1CD11576
+ATOM 11350 HA ASN 77 2.864 13.096 -14.001 1.00 0.00 1CD11577
+ATOM 11351 1HB ASN 77 2.462 11.600 -11.560 1.00 0.00 1CD11578
+ATOM 11352 2HB ASN 77 2.307 13.330 -11.243 1.00 0.00 1CD11579
+ATOM 11353 1HD2 ASN 77 -1.023 12.109 -12.404 1.00 0.00 1CD11580
+ATOM 11354 2HD2 ASN 77 -0.014 11.783 -11.078 1.00 0.00 1CD11581
+TER 11355 ASN 77 1CD11582
+HETATM11356 C1 NAG 78 10.269 -11.699 -1.854 1.00 0.00 1 1CD11583
+HETATM11357 C2 NAG 78 11.488 -11.263 -1.050 1.00 0.00 1 1CD11584
+HETATM11358 C3 NAG 78 12.739 -11.566 -1.855 1.00 0.00 1 1CD11585
+HETATM11359 C4 NAG 78 12.770 -13.057 -2.139 1.00 0.00 1 1CD11586
+HETATM11360 C5 NAG 78 11.513 -13.437 -2.917 1.00 0.00 1 1CD11587
+HETATM11361 C6 NAG 78 11.441 -14.916 -3.242 1.00 0.00 1 1CD11588
+HETATM11362 C7 NAG 78 12.054 -9.351 0.262 1.00 0.00 1 1CD11589
+HETATM11363 C8 NAG 78 11.932 -7.855 0.507 1.00 0.00 1 1CD11590
+HETATM11364 N2 NAG 78 11.413 -9.844 -0.761 1.00 0.00 1 1CD11591
+HETATM11365 O3 NAG 78 13.894 -11.176 -1.127 1.00 0.00 1 1CD11592
+HETATM11366 O4 NAG 78 13.945 -13.387 -2.903 1.00 0.00 1 1CD11593
+HETATM11367 O5 NAG 78 10.337 -13.103 -2.146 1.00 0.00 1 1CD11594
+HETATM11368 O6 NAG 78 10.231 -15.201 -3.969 1.00 0.00 1 1CD11595
+HETATM11369 O7 NAG 78 12.723 -10.058 0.987 1.00 0.00 1 1CD11596
+HETATM11370 H1 NAG 78 10.243 -11.162 -2.816 1.00 0.00 1 1CD11597
+HETATM11371 H2 NAG 78 11.520 -11.833 -0.111 1.00 0.00 1 1CD11598
+HETATM11372 H3 NAG 78 12.689 -11.021 -2.807 1.00 0.00 1 1CD11599
+HETATM11373 H4 NAG 78 12.776 -13.601 -1.185 1.00 0.00 1 1CD11600
+HETATM11374 H5 NAG 78 11.476 -12.860 -3.851 1.00 0.00 1 1CD11601
+HETATM11375 1H6 NAG 78 11.466 -15.492 -2.307 1.00 0.00 1 1CD11602
+HETATM11376 2H6 NAG 78 12.318 -15.196 -3.841 1.00 0.00 1 1CD11603
+HETATM11377 1H8 NAG 78 11.057 -7.452 -0.024 1.00 0.00 1 1CD11604
+HETATM11378 2H8 NAG 78 12.831 -7.335 0.150 1.00 0.00 1 1CD11605
+HETATM11379 3H8 NAG 78 11.812 -7.654 1.581 1.00 0.00 1 1CD11606
+HETATM11380 HN2 NAG 78 10.883 -9.255 -1.338 1.00 0.00 1 1CD11607
+HETATM11381 HO3 NAG 78 13.954 -11.697 -0.323 1.00 0.00 1 1CD11608
+HETATM11382 C1 NAG 79 14.821 -14.284 -2.314 1.00 0.00 1CD11609
+HETATM11383 C2 NAG 79 16.046 -14.466 -3.200 1.00 0.00 1CD11610
+HETATM11384 C3 NAG 79 17.005 -15.423 -2.517 1.00 0.00 1CD11611
+HETATM11385 C4 NAG 79 17.381 -14.836 -1.167 1.00 0.00 1CD11612
+HETATM11386 C5 NAG 79 16.111 -14.650 -0.340 1.00 0.00 1CD11613
+HETATM11387 C6 NAG 79 16.376 -14.052 1.027 1.00 0.00 1CD11614
+HETATM11388 C7 NAG 79 15.005 -16.118 -4.570 1.00 0.00 1CD11615
+HETATM11389 C8 NAG 79 14.621 -16.613 -5.954 1.00 0.00 1CD11616
+HETATM11390 N2 NAG 79 15.653 -14.987 -4.494 1.00 0.00 1CD11617
+HETATM11391 O3 NAG 79 18.164 -15.606 -3.319 1.00 0.00 1CD11618
+HETATM11392 O4 NAG 79 18.280 -15.705 -0.495 1.00 0.00 1CD11619
+HETATM11393 O5 NAG 79 15.198 -13.766 -1.031 1.00 0.00 1CD11620
+HETATM11394 O6 NAG 79 15.375 -13.108 1.378 1.00 0.00 1CD11621
+HETATM11395 O7 NAG 79 14.722 -16.750 -3.570 1.00 0.00 1CD11622
+HETATM11396 H1 NAG 79 14.320 -15.251 -2.154 1.00 0.00 1CD11623
+HETATM11397 H2 NAG 79 16.542 -13.493 -3.327 1.00 0.00 1CD11624
+HETATM11398 H3 NAG 79 16.498 -16.385 -2.359 1.00 0.00 1CD11625
+HETATM11399 H4 NAG 79 17.850 -13.855 -1.326 1.00 0.00 1CD11626
+HETATM11400 H5 NAG 79 15.611 -15.621 -0.221 1.00 0.00 1CD11627
+HETATM11401 1H6 NAG 79 17.363 -13.569 1.019 1.00 0.00 1CD11628
+HETATM11402 2H6 NAG 79 16.402 -14.863 1.769 1.00 0.00 1CD11629
+HETATM11403 1H8 NAG 79 14.017 -15.857 -6.475 1.00 0.00 1CD11630
+HETATM11404 2H8 NAG 79 14.033 -17.538 -5.877 1.00 0.00 1CD11631
+HETATM11405 3H8 NAG 79 15.520 -16.817 -6.550 1.00 0.00 1CD11632
+HETATM11406 HN2 NAG 79 15.872 -14.492 -5.311 1.00 0.00 1CD11633
+HETATM11407 HO4 NAG 79 17.782 -16.388 -0.040 1.00 0.00 1CD11634
+HETATM11408 HO3 NAG 79 18.899 -15.127 -2.928 1.00 0.00 1CD11635
+HETATM11409 HO6 NAG 79 15.728 -12.498 2.030 1.00 0.00 1CD11636
+HETATM11410 C1 FUC 80 10.461 -16.097 -5.018 1.00 0.00 1CD11637
+HETATM11411 C2 FUC 80 9.176 -16.862 -5.307 1.00 0.00 1CD11638
+HETATM11412 C3 FUC 80 8.116 -15.880 -5.786 1.00 0.00 1CD11639
+HETATM11413 C4 FUC 80 8.639 -15.196 -7.038 1.00 0.00 1CD11640
+HETATM11414 C5 FUC 80 9.939 -14.473 -6.697 1.00 0.00 1CD11641
+HETATM11415 C6 FUC 80 10.562 -13.776 -7.892 1.00 0.00 1CD11642
+HETATM11416 O2 FUC 80 8.732 -17.527 -4.134 1.00 0.00 1CD11643
+HETATM11417 O3 FUC 80 6.904 -16.566 -6.067 1.00 0.00 1CD11644
+HETATM11418 O4 FUC 80 8.866 -16.158 -8.058 1.00 0.00 1CD11645
+HETATM11419 O5 FUC 80 10.903 -15.422 -6.194 1.00 0.00 1CD11646
+HETATM11420 H1 FUC 80 11.259 -16.799 -4.728 1.00 0.00 1CD11647
+HETATM11421 H2 FUC 80 9.369 -17.593 -6.105 1.00 0.00 1CD11648
+HETATM11422 H3 FUC 80 7.952 -15.123 -5.007 1.00 0.00 1CD11649
+HETATM11423 H4 FUC 80 7.898 -14.457 -7.375 1.00 0.00 1CD11650
+HETATM11424 H5 FUC 80 9.748 -13.735 -5.906 1.00 0.00 1CD11651
+HETATM11425 1H6 FUC 80 11.381 -13.123 -7.559 1.00 0.00 1CD11652
+HETATM11426 2H6 FUC 80 9.805 -13.168 -8.407 1.00 0.00 1CD11653
+HETATM11427 3H6 FUC 80 10.960 -14.521 -8.593 1.00 0.00 1CD11654
+HETATM11428 HO2 FUC 80 9.492 -17.855 -3.647 1.00 0.00 1CD11655
+HETATM11429 HO3 FUC 80 6.976 -17.477 -5.774 1.00 0.00 1CD11656
+HETATM11430 HO4 FUC 80 8.176 -16.824 -8.025 1.00 0.00 1CD11657
+ENDMDL 1CD11658
+MODEL 10 1CD11659
+ATOM 11431 N LEU 1 4.167 -11.746 -6.967 1.00 0.00 1CD11660
+ATOM 11432 CA LEU 1 4.661 -10.400 -7.372 1.00 0.00 1CD11661
+ATOM 11433 C LEU 1 4.758 -9.496 -6.139 1.00 0.00 1CD11662
+ATOM 11434 O LEU 1 3.762 -9.056 -5.600 1.00 0.00 1CD11663
+ATOM 11435 CB LEU 1 3.690 -9.786 -8.384 1.00 0.00 1CD11664
+ATOM 11436 CG LEU 1 2.295 -9.694 -7.763 1.00 0.00 1CD11665
+ATOM 11437 CD1 LEU 1 1.922 -8.225 -7.565 1.00 0.00 1CD11666
+ATOM 11438 CD2 LEU 1 1.277 -10.354 -8.695 1.00 0.00 1CD11667
+ATOM 11439 1H LEU 1 4.329 -11.882 -5.948 1.00 0.00 1CD11668
+ATOM 11440 2H LEU 1 3.150 -11.817 -7.169 1.00 0.00 1CD11669
+ATOM 11441 3H LEU 1 4.676 -12.478 -7.502 1.00 0.00 1CD11670
+ATOM 11442 HA LEU 1 5.637 -10.496 -7.824 1.00 0.00 1CD11671
+ATOM 11443 1HB LEU 1 4.030 -8.797 -8.655 1.00 0.00 1CD11672
+ATOM 11444 2HB LEU 1 3.649 -10.408 -9.266 1.00 0.00 1CD11673
+ATOM 11445 HG LEU 1 2.292 -10.198 -6.808 1.00 0.00 1CD11674
+ATOM 11446 1HD1 LEU 1 2.624 -7.599 -8.095 1.00 0.00 1CD11675
+ATOM 11447 2HD1 LEU 1 0.926 -8.052 -7.947 1.00 0.00 1CD11676
+ATOM 11448 3HD1 LEU 1 1.949 -7.986 -6.512 1.00 0.00 1CD11677
+ATOM 11449 1HD2 LEU 1 1.796 -10.845 -9.505 1.00 0.00 1CD11678
+ATOM 11450 2HD2 LEU 1 0.702 -11.082 -8.142 1.00 0.00 1CD11679
+ATOM 11451 3HD2 LEU 1 0.614 -9.600 -9.096 1.00 0.00 1CD11680
+ATOM 11452 N GLN 2 5.952 -9.214 -5.692 1.00 0.00 1CD11681
+ATOM 11453 CA GLN 2 6.121 -8.338 -4.498 1.00 0.00 1CD11682
+ATOM 11454 C GLN 2 5.628 -6.931 -4.825 1.00 0.00 1CD11683
+ATOM 11455 O GLN 2 5.468 -6.566 -5.971 1.00 0.00 1CD11684
+ATOM 11456 CB GLN 2 7.602 -8.281 -4.122 1.00 0.00 1CD11685
+ATOM 11457 CG GLN 2 7.955 -9.483 -3.244 1.00 0.00 1CD11686
+ATOM 11458 CD GLN 2 9.041 -10.314 -3.929 1.00 0.00 1CD11687
+ATOM 11459 OE1 GLN 2 9.138 -10.328 -5.141 1.00 0.00 1CD11688
+ATOM 11460 NE2 GLN 2 9.869 -11.012 -3.202 1.00 0.00 1CD11689
+ATOM 11461 H GLN 2 6.743 -9.577 -6.144 1.00 0.00 1CD11690
+ATOM 11462 HA GLN 2 5.553 -8.731 -3.667 1.00 0.00 1CD11691
+ATOM 11463 1HB GLN 2 8.202 -8.302 -5.022 1.00 0.00 1CD11692
+ATOM 11464 2HB GLN 2 7.800 -7.369 -3.579 1.00 0.00 1CD11693
+ATOM 11465 1HG GLN 2 8.316 -9.137 -2.286 1.00 0.00 1CD11694
+ATOM 11466 2HG GLN 2 7.076 -10.093 -3.098 1.00 0.00 1CD11695
+ATOM 11467 1HE2 GLN 2 10.568 -11.547 -3.632 1.00 0.00 1CD11696
+ATOM 11468 2HE2 GLN 2 9.793 -11.000 -2.225 1.00 0.00 1CD11697
+ATOM 11469 N CYS 3 5.389 -6.140 -3.822 1.00 0.00 1CD11698
+ATOM 11470 CA CYS 3 4.912 -4.752 -4.064 1.00 0.00 1CD11699
+ATOM 11471 C CYS 3 5.424 -3.837 -2.950 1.00 0.00 1CD11700
+ATOM 11472 O CYS 3 5.583 -4.251 -1.818 1.00 0.00 1CD11701
+ATOM 11473 CB CYS 3 3.388 -4.728 -4.073 1.00 0.00 1CD11702
+ATOM 11474 SG CYS 3 2.756 -6.034 -5.156 1.00 0.00 1CD11703
+ATOM 11475 H CYS 3 5.523 -6.461 -2.907 1.00 0.00 1CD11704
+ATOM 11476 HA CYS 3 5.281 -4.404 -5.013 1.00 0.00 1CD11705
+ATOM 11477 1HB CYS 3 3.031 -4.891 -3.072 1.00 0.00 1CD11706
+ATOM 11478 2HB CYS 3 3.044 -3.767 -4.426 1.00 0.00 1CD11707
+ATOM 11479 N TYR 4 5.680 -2.596 -3.258 1.00 0.00 1CD11708
+ATOM 11480 CA TYR 4 6.178 -1.657 -2.214 1.00 0.00 1CD11709
+ATOM 11481 C TYR 4 5.045 -1.343 -1.235 1.00 0.00 1CD11710
+ATOM 11482 O TYR 4 3.925 -1.086 -1.629 1.00 0.00 1CD11711
+ATOM 11483 CB TYR 4 6.653 -0.362 -2.875 1.00 0.00 1CD11712
+ATOM 11484 CG TYR 4 7.980 -0.600 -3.556 1.00 0.00 1CD11713
+ATOM 11485 CD1 TYR 4 9.024 -1.220 -2.859 1.00 0.00 1CD11714
+ATOM 11486 CD2 TYR 4 8.166 -0.200 -4.886 1.00 0.00 1CD11715
+ATOM 11487 CE1 TYR 4 10.255 -1.439 -3.492 1.00 0.00 1CD11716
+ATOM 11488 CE2 TYR 4 9.397 -0.420 -5.517 1.00 0.00 1CD11717
+ATOM 11489 CZ TYR 4 10.440 -1.039 -4.820 1.00 0.00 1CD11718
+ATOM 11490 OH TYR 4 11.652 -1.255 -5.443 1.00 0.00 1CD11719
+ATOM 11491 H TYR 4 5.542 -2.282 -4.176 1.00 0.00 1CD11720
+ATOM 11492 HA TYR 4 6.999 -2.113 -1.681 1.00 0.00 1CD11721
+ATOM 11493 1HB TYR 4 5.924 -0.043 -3.605 1.00 0.00 1CD11722
+ATOM 11494 2HB TYR 4 6.768 0.404 -2.122 1.00 0.00 1CD11723
+ATOM 11495 HD1 TYR 4 8.882 -1.528 -1.835 1.00 0.00 1CD11724
+ATOM 11496 HD2 TYR 4 7.361 0.278 -5.423 1.00 0.00 1CD11725
+ATOM 11497 HE1 TYR 4 11.060 -1.917 -2.955 1.00 0.00 1CD11726
+ATOM 11498 HE2 TYR 4 9.539 -0.111 -6.542 1.00 0.00 1CD11727
+ATOM 11499 HH TYR 4 11.815 -0.521 -6.039 1.00 0.00 1CD11728
+ATOM 11500 N ASN 5 5.326 -1.360 0.039 1.00 0.00 1CD11729
+ATOM 11501 CA ASN 5 4.261 -1.061 1.037 1.00 0.00 1CD11730
+ATOM 11502 C ASN 5 4.612 0.225 1.787 1.00 0.00 1CD11731
+ATOM 11503 O ASN 5 5.767 0.560 1.960 1.00 0.00 1CD11732
+ATOM 11504 CB ASN 5 4.150 -2.220 2.030 1.00 0.00 1CD11733
+ATOM 11505 CG ASN 5 2.723 -2.770 2.008 1.00 0.00 1CD11734
+ATOM 11506 OD1 ASN 5 2.517 -3.948 1.797 1.00 0.00 1CD11735
+ATOM 11507 ND2 ASN 5 1.721 -1.960 2.220 1.00 0.00 1CD11736
+ATOM 11508 H ASN 5 6.235 -1.569 0.338 1.00 0.00 1CD11737
+ATOM 11509 HA ASN 5 3.318 -0.932 0.527 1.00 0.00 1CD11738
+ATOM 11510 1HB ASN 5 4.843 -3.001 1.751 1.00 0.00 1CD11739
+ATOM 11511 2HB ASN 5 4.383 -1.867 3.023 1.00 0.00 1CD11740
+ATOM 11512 1HD2 ASN 5 0.803 -2.303 2.207 1.00 0.00 1CD11741
+ATOM 11513 2HD2 ASN 5 1.888 -1.010 2.390 1.00 0.00 1CD11742
+ATOM 11514 N CYS 6 3.623 0.951 2.230 1.00 0.00 1CD11743
+ATOM 11515 CA CYS 6 3.895 2.217 2.966 1.00 0.00 1CD11744
+ATOM 11516 C CYS 6 2.567 2.925 3.265 1.00 0.00 1CD11745
+ATOM 11517 O CYS 6 1.959 3.490 2.379 1.00 0.00 1CD11746
+ATOM 11518 CB CYS 6 4.771 3.127 2.101 1.00 0.00 1CD11747
+ATOM 11519 SG CYS 6 6.468 3.112 2.733 1.00 0.00 1CD11748
+ATOM 11520 H CYS 6 2.698 0.663 2.076 1.00 0.00 1CD11749
+ATOM 11521 HA CYS 6 4.410 1.995 3.887 1.00 0.00 1CD11750
+ATOM 11522 1HB CYS 6 4.762 2.771 1.081 1.00 0.00 1CD11751
+ATOM 11523 2HB CYS 6 4.383 4.135 2.133 1.00 0.00 1CD11752
+ATOM 11524 N PRO 7 2.151 2.869 4.508 1.00 0.00 1CD11753
+ATOM 11525 CA PRO 7 0.893 3.496 4.949 1.00 0.00 1CD11754
+ATOM 11526 C PRO 7 1.078 5.009 5.097 1.00 0.00 1CD11755
+ATOM 11527 O PRO 7 0.136 5.740 5.334 1.00 0.00 1CD11756
+ATOM 11528 CB PRO 7 0.618 2.839 6.304 1.00 0.00 1CD11757
+ATOM 11529 CG PRO 7 1.980 2.315 6.817 1.00 0.00 1CD11758
+ATOM 11530 CD PRO 7 2.894 2.183 5.585 1.00 0.00 1CD11759
+ATOM 11531 HA PRO 7 0.094 3.274 4.262 1.00 0.00 1CD11760
+ATOM 11532 1HB PRO 7 0.213 3.567 6.994 1.00 0.00 1CD11761
+ATOM 11533 2HB PRO 7 -0.067 2.016 6.185 1.00 0.00 1CD11762
+ATOM 11534 1HG PRO 7 2.404 3.016 7.524 1.00 0.00 1CD11763
+ATOM 11535 2HG PRO 7 1.854 1.349 7.283 1.00 0.00 1CD11764
+ATOM 11536 1HD PRO 7 3.843 2.670 5.766 1.00 0.00 1CD11765
+ATOM 11537 2HD PRO 7 3.042 1.144 5.332 1.00 0.00 1CD11766
+ATOM 11538 N ASN 8 2.284 5.482 4.952 1.00 0.00 1CD11767
+ATOM 11539 CA ASN 8 2.532 6.945 5.076 1.00 0.00 1CD11768
+ATOM 11540 C ASN 8 2.699 7.546 3.678 1.00 0.00 1CD11769
+ATOM 11541 O ASN 8 3.329 6.954 2.825 1.00 0.00 1CD11770
+ATOM 11542 CB ASN 8 3.813 7.177 5.881 1.00 0.00 1CD11771
+ATOM 11543 CG ASN 8 3.456 7.545 7.323 1.00 0.00 1CD11772
+ATOM 11544 OD1 ASN 8 2.437 7.129 7.835 1.00 0.00 1CD11773
+ATOM 11545 ND2 ASN 8 4.264 8.312 8.004 1.00 0.00 1CD11774
+ATOM 11546 H ASN 8 3.027 4.874 4.756 1.00 0.00 1CD11775
+ATOM 11547 HA ASN 8 1.698 7.410 5.578 1.00 0.00 1CD11776
+ATOM 11548 1HB ASN 8 4.409 6.275 5.876 1.00 0.00 1CD11777
+ATOM 11549 2HB ASN 8 4.376 7.983 5.436 1.00 0.00 1CD11778
+ATOM 11550 1HD2 ASN 8 4.046 8.553 8.929 1.00 0.00 1CD11779
+ATOM 11551 2HD2 ASN 8 5.087 8.647 7.591 1.00 0.00 1CD11780
+ATOM 11552 N PRO 9 2.132 8.710 3.481 1.00 0.00 1CD11781
+ATOM 11553 CA PRO 9 2.211 9.412 2.190 1.00 0.00 1CD11782
+ATOM 11554 C PRO 9 3.584 10.059 2.030 1.00 0.00 1CD11783
+ATOM 11555 O PRO 9 3.768 11.233 2.283 1.00 0.00 1CD11784
+ATOM 11556 CB PRO 9 1.105 10.465 2.283 1.00 0.00 1CD11785
+ATOM 11557 CG PRO 9 0.839 10.684 3.792 1.00 0.00 1CD11786
+ATOM 11558 CD PRO 9 1.367 9.432 4.518 1.00 0.00 1CD11787
+ATOM 11559 HA PRO 9 2.016 8.735 1.376 1.00 0.00 1CD11788
+ATOM 11560 1HB PRO 9 1.432 11.388 1.821 1.00 0.00 1CD11789
+ATOM 11561 2HB PRO 9 0.208 10.106 1.804 1.00 0.00 1CD11790
+ATOM 11562 1HG PRO 9 1.366 11.565 4.135 1.00 0.00 1CD11791
+ATOM 11563 2HG PRO 9 -0.219 10.791 3.971 1.00 0.00 1CD11792
+ATOM 11564 1HD PRO 9 2.011 9.715 5.340 1.00 0.00 1CD11793
+ATOM 11565 2HD PRO 9 0.548 8.823 4.868 1.00 0.00 1CD11794
+ATOM 11566 N THR 10 4.547 9.292 1.612 1.00 0.00 1CD11795
+ATOM 11567 CA THR 10 5.919 9.843 1.432 1.00 0.00 1CD11796
+ATOM 11568 C THR 10 6.404 9.555 0.009 1.00 0.00 1CD11797
+ATOM 11569 O THR 10 5.986 8.603 -0.619 1.00 0.00 1CD11798
+ATOM 11570 CB THR 10 6.870 9.187 2.436 1.00 0.00 1CD11799
+ATOM 11571 OG1 THR 10 8.208 9.562 2.133 1.00 0.00 1CD11800
+ATOM 11572 CG2 THR 10 6.734 7.667 2.354 1.00 0.00 1CD11801
+ATOM 11573 H THR 10 4.366 8.347 1.419 1.00 0.00 1CD11802
+ATOM 11574 HA THR 10 5.902 10.910 1.597 1.00 0.00 1CD11803
+ATOM 11575 HB THR 10 6.622 9.514 3.434 1.00 0.00 1CD11804
+ATOM 11576 HG1 THR 10 8.508 10.169 2.814 1.00 0.00 1CD11805
+ATOM 11577 1HG2 THR 10 6.423 7.386 1.359 1.00 0.00 1CD11806
+ATOM 11578 2HG2 THR 10 7.686 7.207 2.577 1.00 0.00 1CD11807
+ATOM 11579 3HG2 THR 10 5.997 7.333 3.069 1.00 0.00 1CD11808
+ATOM 11580 N ALA 11 7.286 10.369 -0.501 1.00 0.00 1CD11809
+ATOM 11581 CA ALA 11 7.801 10.139 -1.879 1.00 0.00 1CD11810
+ATOM 11582 C ALA 11 9.198 9.523 -1.797 1.00 0.00 1CD11811
+ATOM 11583 O ALA 11 10.078 9.847 -2.569 1.00 0.00 1CD11812
+ATOM 11584 CB ALA 11 7.874 11.473 -2.626 1.00 0.00 1CD11813
+ATOM 11585 H ALA 11 7.613 11.127 0.024 1.00 0.00 1CD11814
+ATOM 11586 HA ALA 11 7.140 9.466 -2.404 1.00 0.00 1CD11815
+ATOM 11587 1HB ALA 11 6.928 11.988 -2.536 1.00 0.00 1CD11816
+ATOM 11588 2HB ALA 11 8.658 12.082 -2.202 1.00 0.00 1CD11817
+ATOM 11589 3HB ALA 11 8.085 11.290 -3.670 1.00 0.00 1CD11818
+ATOM 11590 N ASP 12 9.406 8.635 -0.863 1.00 0.00 1CD11819
+ATOM 11591 CA ASP 12 10.744 7.996 -0.725 1.00 0.00 1CD11820
+ATOM 11592 C ASP 12 10.597 6.656 -0.003 1.00 0.00 1CD11821
+ATOM 11593 O ASP 12 11.464 6.241 0.740 1.00 0.00 1CD11822
+ATOM 11594 CB ASP 12 11.665 8.914 0.080 1.00 0.00 1CD11823
+ATOM 11595 CG ASP 12 12.876 9.296 -0.772 1.00 0.00 1CD11824
+ATOM 11596 OD1 ASP 12 12.689 9.555 -1.949 1.00 0.00 1CD11825
+ATOM 11597 OD2 ASP 12 13.970 9.324 -0.232 1.00 0.00 1CD11826
+ATOM 11598 H ASP 12 8.682 8.389 -0.250 1.00 0.00 1CD11827
+ATOM 11599 HA ASP 12 11.166 7.832 -1.705 1.00 0.00 1CD11828
+ATOM 11600 1HB ASP 12 11.126 9.807 0.362 1.00 0.00 1CD11829
+ATOM 11601 2HB ASP 12 12.000 8.399 0.969 1.00 0.00 1CD11830
+ATOM 11602 N CYS 13 9.507 5.974 -0.219 1.00 0.00 1CD11831
+ATOM 11603 CA CYS 13 9.304 4.658 0.454 1.00 0.00 1CD11832
+ATOM 11604 C CYS 13 10.241 3.621 -0.169 1.00 0.00 1CD11833
+ATOM 11605 O CYS 13 10.448 3.598 -1.366 1.00 0.00 1CD11834
+ATOM 11606 CB CYS 13 7.852 4.209 0.273 1.00 0.00 1CD11835
+ATOM 11607 SG CYS 13 7.595 2.633 1.125 1.00 0.00 1CD11836
+ATOM 11608 H CYS 13 8.821 6.328 -0.823 1.00 0.00 1CD11837
+ATOM 11609 HA CYS 13 9.523 4.755 1.507 1.00 0.00 1CD11838
+ATOM 11610 1HB CYS 13 7.191 4.955 0.689 1.00 0.00 1CD11839
+ATOM 11611 2HB CYS 13 7.641 4.088 -0.779 1.00 0.00 1CD11840
+ATOM 11612 N LYS 14 10.812 2.762 0.633 1.00 0.00 1CD11841
+ATOM 11613 CA LYS 14 11.734 1.729 0.085 1.00 0.00 1CD11842
+ATOM 11614 C LYS 14 11.608 0.444 0.905 1.00 0.00 1CD11843
+ATOM 11615 O LYS 14 12.588 -0.195 1.229 1.00 0.00 1CD11844
+ATOM 11616 CB LYS 14 13.175 2.240 0.160 1.00 0.00 1CD11845
+ATOM 11617 CG LYS 14 13.423 2.873 1.529 1.00 0.00 1CD11846
+ATOM 11618 CD LYS 14 14.886 2.672 1.929 1.00 0.00 1CD11847
+ATOM 11619 CE LYS 14 15.096 3.163 3.363 1.00 0.00 1CD11848
+ATOM 11620 NZ LYS 14 16.491 3.662 3.517 1.00 0.00 1CD11849
+ATOM 11621 H LYS 14 10.632 2.798 1.596 1.00 0.00 1CD11850
+ATOM 11622 HA LYS 14 11.478 1.526 -0.945 1.00 0.00 1CD11851
+ATOM 11623 1HB LYS 14 13.857 1.414 0.016 1.00 0.00 1CD11852
+ATOM 11624 2HB LYS 14 13.335 2.978 -0.611 1.00 0.00 1CD11853
+ATOM 11625 1HG LYS 14 13.204 3.930 1.482 1.00 0.00 1CD11854
+ATOM 11626 2HG LYS 14 12.783 2.406 2.264 1.00 0.00 1CD11855
+ATOM 11627 1HD LYS 14 15.135 1.623 1.866 1.00 0.00 1CD11856
+ATOM 11628 2HD LYS 14 15.521 3.234 1.262 1.00 0.00 1CD11857
+ATOM 11629 1HE LYS 14 14.402 3.962 3.575 1.00 0.00 1CD11858
+ATOM 11630 2HE LYS 14 14.927 2.347 4.051 1.00 0.00 1CD11859
+ATOM 11631 1HZ LYS 14 16.955 3.689 2.588 1.00 0.00 1CD11860
+ATOM 11632 2HZ LYS 14 16.475 4.619 3.922 1.00 0.00 1CD11861
+ATOM 11633 3HZ LYS 14 17.019 3.025 4.151 1.00 0.00 1CD11862
+ATOM 11634 N THR 15 10.407 0.061 1.243 1.00 0.00 1CD11863
+ATOM 11635 CA THR 15 10.223 -1.184 2.043 1.00 0.00 1CD11864
+ATOM 11636 C THR 15 9.467 -2.219 1.211 1.00 0.00 1CD11865
+ATOM 11637 O THR 15 8.324 -2.533 1.480 1.00 0.00 1CD11866
+ATOM 11638 CB THR 15 9.422 -0.864 3.308 1.00 0.00 1CD11867
+ATOM 11639 OG1 THR 15 9.011 -2.078 3.923 1.00 0.00 1CD11868
+ATOM 11640 CG2 THR 15 8.192 -0.034 2.939 1.00 0.00 1CD11869
+ATOM 11641 H THR 15 9.628 0.591 0.973 1.00 0.00 1CD11870
+ATOM 11642 HA THR 15 11.189 -1.579 2.320 1.00 0.00 1CD11871
+ATOM 11643 HB THR 15 10.038 -0.304 3.993 1.00 0.00 1CD11872
+ATOM 11644 HG1 THR 15 8.778 -1.885 4.834 1.00 0.00 1CD11873
+ATOM 11645 1HG2 THR 15 7.902 -0.252 1.922 1.00 0.00 1CD11874
+ATOM 11646 2HG2 THR 15 7.379 -0.280 3.606 1.00 0.00 1CD11875
+ATOM 11647 3HG2 THR 15 8.427 1.017 3.029 1.00 0.00 1CD11876
+ATOM 11648 N ALA 16 10.096 -2.757 0.202 1.00 0.00 1CD11877
+ATOM 11649 CA ALA 16 9.412 -3.775 -0.644 1.00 0.00 1CD11878
+ATOM 11650 C ALA 16 9.050 -4.988 0.216 1.00 0.00 1CD11879
+ATOM 11651 O ALA 16 9.806 -5.400 1.073 1.00 0.00 1CD11880
+ATOM 11652 CB ALA 16 10.347 -4.211 -1.773 1.00 0.00 1CD11881
+ATOM 11653 H ALA 16 11.017 -2.493 0.002 1.00 0.00 1CD11882
+ATOM 11654 HA ALA 16 8.513 -3.350 -1.064 1.00 0.00 1CD11883
+ATOM 11655 1HB ALA 16 11.139 -3.487 -1.885 1.00 0.00 1CD11884
+ATOM 11656 2HB ALA 16 10.772 -5.176 -1.538 1.00 0.00 1CD11885
+ATOM 11657 3HB ALA 16 9.789 -4.280 -2.696 1.00 0.00 1CD11886
+ATOM 11658 N VAL 17 7.900 -5.562 -0.005 1.00 0.00 1CD11887
+ATOM 11659 CA VAL 17 7.492 -6.746 0.801 1.00 0.00 1CD11888
+ATOM 11660 C VAL 17 6.736 -7.732 -0.091 1.00 0.00 1CD11889
+ATOM 11661 O VAL 17 6.124 -7.356 -1.070 1.00 0.00 1CD11890
+ATOM 11662 CB VAL 17 6.586 -6.293 1.948 1.00 0.00 1CD11891
+ATOM 11663 CG1 VAL 17 5.301 -5.689 1.380 1.00 0.00 1CD11892
+ATOM 11664 CG2 VAL 17 6.236 -7.495 2.829 1.00 0.00 1CD11893
+ATOM 11665 H VAL 17 7.305 -5.213 -0.700 1.00 0.00 1CD11894
+ATOM 11666 HA VAL 17 8.369 -7.229 1.205 1.00 0.00 1CD11895
+ATOM 11667 HB VAL 17 7.100 -5.550 2.540 1.00 0.00 1CD11896
+ATOM 11668 1HG1 VAL 17 5.481 -5.336 0.376 1.00 0.00 1CD11897
+ATOM 11669 2HG1 VAL 17 4.526 -6.441 1.363 1.00 0.00 1CD11898
+ATOM 11670 3HG1 VAL 17 4.986 -4.864 2.001 1.00 0.00 1CD11899
+ATOM 11671 1HG2 VAL 17 6.928 -8.300 2.630 1.00 0.00 1CD11900
+ATOM 11672 2HG2 VAL 17 6.303 -7.211 3.868 1.00 0.00 1CD11901
+ATOM 11673 3HG2 VAL 17 5.231 -7.822 2.609 1.00 0.00 1CD11902
+ATOM 11674 N ASN 18 6.773 -8.992 0.242 1.00 0.00 1 1CD11903
+ATOM 11675 CA ASN 18 6.052 -10.001 -0.589 1.00 0.00 1 1CD11904
+ATOM 11676 C ASN 18 4.663 -10.244 0.005 1.00 0.00 1 1CD11905
+ATOM 11677 O ASN 18 4.515 -10.904 1.014 1.00 0.00 1 1CD11906
+ATOM 11678 CB ASN 18 6.823 -11.332 -0.636 1.00 0.00 1 1CD11907
+ATOM 11679 CG ASN 18 7.990 -11.332 0.359 1.00 0.00 1 1CD11908
+ATOM 11680 OD1 ASN 18 7.945 -11.988 1.380 1.00 0.00 1 1CD11909
+ATOM 11681 ND2 ASN 18 9.032 -10.600 0.069 1.00 0.00 1 1CD11910
+ATOM 11682 H ASN 18 7.269 -9.271 1.037 1.00 0.00 1 1CD11911
+ATOM 11683 HA ASN 18 5.943 -9.618 -1.593 1.00 0.00 1 1CD11912
+ATOM 11684 1HB ASN 18 6.149 -12.140 -0.390 1.00 0.00 1 1CD11913
+ATOM 11685 2HB ASN 18 7.207 -11.484 -1.634 1.00 0.00 1 1CD11914
+ATOM 11686 HD2 ASN 18 9.045 -10.074 -0.759 1.00 0.00 1 1CD11915
+ATOM 11687 N CYS 19 3.644 -9.711 -0.613 1.00 0.00 1CD11916
+ATOM 11688 CA CYS 19 2.264 -9.908 -0.086 1.00 0.00 1CD11917
+ATOM 11689 C CYS 19 1.876 -11.383 -0.213 1.00 0.00 1CD11918
+ATOM 11690 O CYS 19 2.320 -12.076 -1.106 1.00 0.00 1CD11919
+ATOM 11691 CB CYS 19 1.284 -9.052 -0.893 1.00 0.00 1CD11920
+ATOM 11692 SG CYS 19 1.517 -7.307 -0.473 1.00 0.00 1CD11921
+ATOM 11693 H CYS 19 3.787 -9.182 -1.425 1.00 0.00 1CD11922
+ATOM 11694 HA CYS 19 2.230 -9.614 0.952 1.00 0.00 1CD11923
+ATOM 11695 1HB CYS 19 1.465 -9.195 -1.948 1.00 0.00 1CD11924
+ATOM 11696 2HB CYS 19 0.272 -9.347 -0.658 1.00 0.00 1CD11925
+ATOM 11697 N SER 20 1.051 -11.868 0.674 1.00 0.00 1CD11926
+ATOM 11698 CA SER 20 0.635 -13.297 0.601 1.00 0.00 1CD11927
+ATOM 11699 C SER 20 -0.814 -13.433 1.070 1.00 0.00 1CD11928
+ATOM 11700 O SER 20 -1.182 -12.960 2.128 1.00 0.00 1CD11929
+ATOM 11701 CB SER 20 1.542 -14.138 1.501 1.00 0.00 1CD11930
+ATOM 11702 OG SER 20 2.676 -13.368 1.874 1.00 0.00 1CD11931
+ATOM 11703 H SER 20 0.704 -11.293 1.387 1.00 0.00 1CD11932
+ATOM 11704 HA SER 20 0.718 -13.644 -0.418 1.00 0.00 1CD11933
+ATOM 11705 1HB SER 20 1.004 -14.428 2.387 1.00 0.00 1CD11934
+ATOM 11706 2HB SER 20 1.855 -15.025 0.965 1.00 0.00 1CD11935
+ATOM 11707 HG SER 20 2.891 -13.578 2.787 1.00 0.00 1CD11936
+ATOM 11708 N SER 21 -1.641 -14.073 0.289 1.00 0.00 1CD11937
+ATOM 11709 CA SER 21 -3.067 -14.239 0.689 1.00 0.00 1CD11938
+ATOM 11710 C SER 21 -3.624 -12.898 1.174 1.00 0.00 1CD11939
+ATOM 11711 O SER 21 -4.057 -12.769 2.303 1.00 0.00 1CD11940
+ATOM 11712 CB SER 21 -3.165 -15.268 1.815 1.00 0.00 1CD11941
+ATOM 11713 OG SER 21 -4.459 -15.855 1.803 1.00 0.00 1CD11942
+ATOM 11714 H SER 21 -1.325 -14.445 -0.560 1.00 0.00 1CD11943
+ATOM 11715 HA SER 21 -3.641 -14.579 -0.160 1.00 0.00 1CD11944
+ATOM 11716 1HB SER 21 -2.426 -16.037 1.670 1.00 0.00 1CD11945
+ATOM 11717 2HB SER 21 -2.989 -14.779 2.765 1.00 0.00 1CD11946
+ATOM 11718 HG SER 21 -4.784 -15.876 2.706 1.00 0.00 1CD11947
+ATOM 11719 N ASP 22 -3.621 -11.901 0.332 1.00 0.00 1CD11948
+ATOM 11720 CA ASP 22 -4.155 -10.574 0.752 1.00 0.00 1CD11949
+ATOM 11721 C ASP 22 -3.822 -9.525 -0.312 1.00 0.00 1CD11950
+ATOM 11722 O ASP 22 -3.561 -8.379 -0.004 1.00 0.00 1CD11951
+ATOM 11723 CB ASP 22 -3.521 -10.166 2.084 1.00 0.00 1CD11952
+ATOM 11724 CG ASP 22 -4.607 -10.069 3.156 1.00 0.00 1CD11953
+ATOM 11725 OD1 ASP 22 -5.765 -9.951 2.791 1.00 0.00 1CD11954
+ATOM 11726 OD2 ASP 22 -4.263 -10.115 4.326 1.00 0.00 1CD11955
+ATOM 11727 H ASP 22 -3.270 -12.025 -0.574 1.00 0.00 1CD11956
+ATOM 11728 HA ASP 22 -5.226 -10.639 0.868 1.00 0.00 1CD11957
+ATOM 11729 1HB ASP 22 -2.790 -10.907 2.376 1.00 0.00 1CD11958
+ATOM 11730 2HB ASP 22 -3.039 -9.207 1.975 1.00 0.00 1CD11959
+ATOM 11731 N PHE 23 -3.834 -9.903 -1.562 1.00 0.00 1CD11960
+ATOM 11732 CA PHE 23 -3.521 -8.920 -2.637 1.00 0.00 1CD11961
+ATOM 11733 C PHE 23 -3.584 -9.611 -4.005 1.00 0.00 1CD11962
+ATOM 11734 O PHE 23 -3.800 -10.802 -4.100 1.00 0.00 1CD11963
+ATOM 11735 CB PHE 23 -2.117 -8.339 -2.408 1.00 0.00 1CD11964
+ATOM 11736 CG PHE 23 -1.065 -9.296 -2.925 1.00 0.00 1CD11965
+ATOM 11737 CD1 PHE 23 -1.096 -10.643 -2.545 1.00 0.00 1CD11966
+ATOM 11738 CD2 PHE 23 -0.062 -8.835 -3.785 1.00 0.00 1CD11967
+ATOM 11739 CE1 PHE 23 -0.124 -11.529 -3.026 1.00 0.00 1CD11968
+ATOM 11740 CE2 PHE 23 0.909 -9.720 -4.267 1.00 0.00 1CD11969
+ATOM 11741 CZ PHE 23 0.878 -11.067 -3.887 1.00 0.00 1CD11970
+ATOM 11742 H PHE 23 -4.051 -10.830 -1.790 1.00 0.00 1CD11971
+ATOM 11743 HA PHE 23 -4.247 -8.120 -2.611 1.00 0.00 1CD11972
+ATOM 11744 1HB PHE 23 -2.030 -7.397 -2.930 1.00 0.00 1CD11973
+ATOM 11745 2HB PHE 23 -1.965 -8.176 -1.351 1.00 0.00 1CD11974
+ATOM 11746 HD1 PHE 23 -1.870 -11.000 -1.882 1.00 0.00 1CD11975
+ATOM 11747 HD2 PHE 23 -0.039 -7.796 -4.079 1.00 0.00 1CD11976
+ATOM 11748 HE1 PHE 23 -0.149 -12.568 -2.734 1.00 0.00 1CD11977
+ATOM 11749 HE2 PHE 23 1.683 -9.363 -4.931 1.00 0.00 1CD11978
+ATOM 11750 HZ PHE 23 1.628 -11.750 -4.259 1.00 0.00 1CD11979
+ATOM 11751 N ASP 24 -3.388 -8.869 -5.060 1.00 0.00 1CD11980
+ATOM 11752 CA ASP 24 -3.428 -9.479 -6.421 1.00 0.00 1CD11981
+ATOM 11753 C ASP 24 -2.937 -8.461 -7.455 1.00 0.00 1CD11982
+ATOM 11754 O ASP 24 -3.302 -8.514 -8.612 1.00 0.00 1CD11983
+ATOM 11755 CB ASP 24 -4.862 -9.894 -6.752 1.00 0.00 1CD11984
+ATOM 11756 CG ASP 24 -4.907 -11.396 -7.033 1.00 0.00 1CD11985
+ATOM 11757 OD1 ASP 24 -5.076 -12.152 -6.091 1.00 0.00 1CD11986
+ATOM 11758 OD2 ASP 24 -4.771 -11.766 -8.188 1.00 0.00 1CD11987
+ATOM 11759 H ASP 24 -3.212 -7.911 -4.957 1.00 0.00 1CD11988
+ATOM 11760 HA ASP 24 -2.788 -10.349 -6.442 1.00 0.00 1CD11989
+ATOM 11761 1HB ASP 24 -5.507 -9.663 -5.916 1.00 0.00 1CD11990
+ATOM 11762 2HB ASP 24 -5.199 -9.356 -7.625 1.00 0.00 1CD11991
+ATOM 11763 N ALA 25 -2.114 -7.533 -7.047 1.00 0.00 1CD11992
+ATOM 11764 CA ALA 25 -1.602 -6.515 -8.006 1.00 0.00 1CD11993
+ATOM 11765 C ALA 25 -0.999 -5.348 -7.224 1.00 0.00 1CD11994
+ATOM 11766 O ALA 25 -1.652 -4.742 -6.400 1.00 0.00 1CD11995
+ATOM 11767 CB ALA 25 -2.756 -6.003 -8.871 1.00 0.00 1CD11996
+ATOM 11768 H ALA 25 -1.832 -7.506 -6.109 1.00 0.00 1CD11997
+ATOM 11769 HA ALA 25 -0.845 -6.958 -8.636 1.00 0.00 1CD11998
+ATOM 11770 1HB ALA 25 -3.684 -6.441 -8.532 1.00 0.00 1CD11999
+ATOM 11771 2HB ALA 25 -2.816 -4.927 -8.791 1.00 0.00 1CD12000
+ATOM 11772 3HB ALA 25 -2.584 -6.278 -9.902 1.00 0.00 1CD12001
+ATOM 11773 N CYS 26 0.238 -5.016 -7.475 1.00 0.00 1CD12002
+ATOM 11774 CA CYS 26 0.852 -3.878 -6.736 1.00 0.00 1CD12003
+ATOM 11775 C CYS 26 0.109 -2.602 -7.118 1.00 0.00 1CD12004
+ATOM 11776 O CYS 26 -0.415 -2.485 -8.207 1.00 0.00 1CD12005
+ATOM 11777 CB CYS 26 2.332 -3.747 -7.107 1.00 0.00 1CD12006
+ATOM 11778 SG CYS 26 3.129 -5.371 -7.029 1.00 0.00 1CD12007
+ATOM 11779 H CYS 26 0.754 -5.502 -8.150 1.00 0.00 1CD12008
+ATOM 11780 HA CYS 26 0.754 -4.045 -5.671 1.00 0.00 1CD12009
+ATOM 11781 1HB CYS 26 2.416 -3.354 -8.109 1.00 0.00 1CD12010
+ATOM 11782 2HB CYS 26 2.817 -3.074 -6.416 1.00 0.00 1CD12011
+ATOM 11783 N LEU 27 0.036 -1.651 -6.233 1.00 0.00 1CD12012
+ATOM 11784 CA LEU 27 -0.703 -0.406 -6.567 1.00 0.00 1CD12013
+ATOM 11785 C LEU 27 0.205 0.814 -6.419 1.00 0.00 1CD12014
+ATOM 11786 O LEU 27 0.768 1.068 -5.373 1.00 0.00 1CD12015
+ATOM 11787 CB LEU 27 -1.900 -0.280 -5.626 1.00 0.00 1CD12016
+ATOM 11788 CG LEU 27 -2.566 1.086 -5.791 1.00 0.00 1CD12017
+ATOM 11789 CD1 LEU 27 -3.696 0.973 -6.816 1.00 0.00 1CD12018
+ATOM 11790 CD2 LEU 27 -3.141 1.525 -4.442 1.00 0.00 1CD12019
+ATOM 11791 H LEU 27 0.448 -1.763 -5.348 1.00 0.00 1CD12020
+ATOM 11792 HA LEU 27 -1.058 -0.464 -7.584 1.00 0.00 1CD12021
+ATOM 11793 1HB LEU 27 -2.615 -1.051 -5.863 1.00 0.00 1CD12022
+ATOM 11794 2HB LEU 27 -1.569 -0.396 -4.605 1.00 0.00 1CD12023
+ATOM 11795 HG LEU 27 -1.840 1.811 -6.131 1.00 0.00 1CD12024
+ATOM 11796 1HD1 LEU 27 -3.875 -0.069 -7.039 1.00 0.00 1CD12025
+ATOM 11797 2HD1 LEU 27 -4.594 1.414 -6.412 1.00 0.00 1CD12026
+ATOM 11798 3HD1 LEU 27 -3.415 1.491 -7.721 1.00 0.00 1CD12027
+ATOM 11799 1HD2 LEU 27 -2.848 0.817 -3.679 1.00 0.00 1CD12028
+ATOM 11800 2HD2 LEU 27 -2.759 2.503 -4.189 1.00 0.00 1CD12029
+ATOM 11801 3HD2 LEU 27 -4.218 1.562 -4.503 1.00 0.00 1CD12030
+ATOM 11802 N ILE 28 0.328 1.585 -7.464 1.00 0.00 1CD12031
+ATOM 11803 CA ILE 28 1.170 2.808 -7.401 1.00 0.00 1CD12032
+ATOM 11804 C ILE 28 0.273 4.023 -7.641 1.00 0.00 1CD12033
+ATOM 11805 O ILE 28 0.049 4.430 -8.764 1.00 0.00 1CD12034
+ATOM 11806 CB ILE 28 2.258 2.742 -8.478 1.00 0.00 1CD12035
+ATOM 11807 CG1 ILE 28 2.880 4.128 -8.668 1.00 0.00 1CD12036
+ATOM 11808 CG2 ILE 28 1.640 2.278 -9.799 1.00 0.00 1CD12037
+ATOM 11809 CD1 ILE 28 3.370 4.658 -7.319 1.00 0.00 1CD12038
+ATOM 11810 H ILE 28 -0.151 1.366 -8.291 1.00 0.00 1CD12039
+ATOM 11811 HA ILE 28 1.627 2.882 -6.426 1.00 0.00 1CD12040
+ATOM 11812 HB ILE 28 3.021 2.041 -8.174 1.00 0.00 1CD12041
+ATOM 11813 1HG1 ILE 28 3.713 4.057 -9.352 1.00 0.00 1CD12042
+ATOM 11814 2HG1 ILE 28 2.141 4.804 -9.070 1.00 0.00 1CD12043
+ATOM 11815 1HG2 ILE 28 0.617 2.618 -9.857 1.00 0.00 1CD12044
+ATOM 11816 2HG2 ILE 28 2.204 2.689 -10.623 1.00 0.00 1CD12045
+ATOM 11817 3HG2 ILE 28 1.665 1.200 -9.848 1.00 0.00 1CD12046
+ATOM 11818 1HD1 ILE 28 3.833 3.855 -6.764 1.00 0.00 1CD12047
+ATOM 11819 2HD1 ILE 28 4.092 5.445 -7.482 1.00 0.00 1CD12048
+ATOM 11820 3HD1 ILE 28 2.533 5.046 -6.758 1.00 0.00 1CD12049
+ATOM 11821 N THR 29 -0.258 4.591 -6.592 1.00 0.00 1CD12050
+ATOM 11822 CA THR 29 -1.157 5.766 -6.756 1.00 0.00 1CD12051
+ATOM 11823 C THR 29 -0.400 7.053 -6.427 1.00 0.00 1CD12052
+ATOM 11824 O THR 29 0.570 7.051 -5.696 1.00 0.00 1CD12053
+ATOM 11825 CB THR 29 -2.350 5.621 -5.808 1.00 0.00 1CD12054
+ATOM 11826 OG1 THR 29 -3.204 4.588 -6.280 1.00 0.00 1CD12055
+ATOM 11827 CG2 THR 29 -3.124 6.938 -5.749 1.00 0.00 1CD12056
+ATOM 11828 H THR 29 -0.075 4.235 -5.698 1.00 0.00 1CD12057
+ATOM 11829 HA THR 29 -1.513 5.810 -7.773 1.00 0.00 1CD12058
+ATOM 11830 HB THR 29 -1.996 5.372 -4.818 1.00 0.00 1CD12059
+ATOM 11831 HG1 THR 29 -3.984 4.568 -5.720 1.00 0.00 1CD12060
+ATOM 11832 1HG2 THR 29 -2.470 7.724 -5.402 1.00 0.00 1CD12061
+ATOM 11833 2HG2 THR 29 -3.491 7.184 -6.734 1.00 0.00 1CD12062
+ATOM 11834 3HG2 THR 29 -3.956 6.837 -5.069 1.00 0.00 1CD12063
+ATOM 11835 N LYS 30 -0.845 8.154 -6.966 1.00 0.00 1CD12064
+ATOM 11836 CA LYS 30 -0.167 9.453 -6.695 1.00 0.00 1CD12065
+ATOM 11837 C LYS 30 -1.214 10.567 -6.675 1.00 0.00 1CD12066
+ATOM 11838 O LYS 30 -1.536 11.150 -7.692 1.00 0.00 1CD12067
+ATOM 11839 CB LYS 30 0.860 9.734 -7.793 1.00 0.00 1CD12068
+ATOM 11840 CG LYS 30 2.248 9.889 -7.167 1.00 0.00 1CD12069
+ATOM 11841 CD LYS 30 3.114 8.685 -7.543 1.00 0.00 1CD12070
+ATOM 11842 CE LYS 30 3.957 9.026 -8.774 1.00 0.00 1CD12071
+ATOM 11843 NZ LYS 30 5.187 8.187 -8.781 1.00 0.00 1CD12072
+ATOM 11844 H LYS 30 -1.631 8.126 -7.551 1.00 0.00 1CD12073
+ATOM 11845 HA LYS 30 0.330 9.408 -5.736 1.00 0.00 1CD12074
+ATOM 11846 1HB LYS 30 0.869 8.913 -8.494 1.00 0.00 1CD12075
+ATOM 11847 2HB LYS 30 0.596 10.645 -8.308 1.00 0.00 1CD12076
+ATOM 11848 1HG LYS 30 2.709 10.796 -7.535 1.00 0.00 1CD12077
+ATOM 11849 2HG LYS 30 2.156 9.942 -6.093 1.00 0.00 1CD12078
+ATOM 11850 1HD LYS 30 3.765 8.439 -6.717 1.00 0.00 1CD12079
+ATOM 11851 2HD LYS 30 2.480 7.841 -7.767 1.00 0.00 1CD12080
+ATOM 11852 1HE LYS 30 3.383 8.833 -9.668 1.00 0.00 1CD12081
+ATOM 11853 2HE LYS 30 4.232 10.070 -8.743 1.00 0.00 1CD12082
+ATOM 11854 1HZ LYS 30 5.513 8.041 -7.803 1.00 0.00 1CD12083
+ATOM 11855 2HZ LYS 30 4.977 7.267 -9.218 1.00 0.00 1CD12084
+ATOM 11856 3HZ LYS 30 5.932 8.666 -9.327 1.00 0.00 1CD12085
+ATOM 11857 N ALA 31 -1.756 10.863 -5.526 1.00 0.00 1CD12086
+ATOM 11858 CA ALA 31 -2.790 11.932 -5.442 1.00 0.00 1CD12087
+ATOM 11859 C ALA 31 -2.121 13.279 -5.162 1.00 0.00 1CD12088
+ATOM 11860 O ALA 31 -2.305 13.867 -4.115 1.00 0.00 1CD12089
+ATOM 11861 CB ALA 31 -3.767 11.605 -4.310 1.00 0.00 1CD12090
+ATOM 11862 H ALA 31 -1.488 10.377 -4.719 1.00 0.00 1CD12091
+ATOM 11863 HA ALA 31 -3.329 11.985 -6.376 1.00 0.00 1CD12092
+ATOM 11864 1HB ALA 31 -3.752 10.541 -4.118 1.00 0.00 1CD12093
+ATOM 11865 2HB ALA 31 -3.474 12.136 -3.416 1.00 0.00 1CD12094
+ATOM 11866 3HB ALA 31 -4.764 11.904 -4.598 1.00 0.00 1CD12095
+ATOM 11867 N GLY 32 -1.351 13.777 -6.090 1.00 0.00 1CD12096
+ATOM 11868 CA GLY 32 -0.679 15.091 -5.875 1.00 0.00 1CD12097
+ATOM 11869 C GLY 32 0.714 14.871 -5.284 1.00 0.00 1CD12098
+ATOM 11870 O GLY 32 1.592 14.322 -5.921 1.00 0.00 1CD12099
+ATOM 11871 H GLY 32 -1.218 13.291 -6.930 1.00 0.00 1CD12100
+ATOM 11872 1HA GLY 32 -0.592 15.607 -6.821 1.00 0.00 1CD12101
+ATOM 11873 2HA GLY 32 -1.266 15.686 -5.193 1.00 0.00 1CD12102
+ATOM 11874 N LEU 33 0.926 15.299 -4.069 1.00 0.00 1CD12103
+ATOM 11875 CA LEU 33 2.262 15.120 -3.436 1.00 0.00 1CD12104
+ATOM 11876 C LEU 33 2.178 14.033 -2.362 1.00 0.00 1CD12105
+ATOM 11877 O LEU 33 2.887 14.067 -1.376 1.00 0.00 1CD12106
+ATOM 11878 CB LEU 33 2.698 16.438 -2.793 1.00 0.00 1CD12107
+ATOM 11879 CG LEU 33 3.864 17.034 -3.583 1.00 0.00 1CD12108
+ATOM 11880 CD1 LEU 33 3.497 18.442 -4.053 1.00 0.00 1CD12109
+ATOM 11881 CD2 LEU 33 5.102 17.104 -2.685 1.00 0.00 1CD12110
+ATOM 11882 H LEU 33 0.205 15.741 -3.574 1.00 0.00 1CD12111
+ATOM 11883 HA LEU 33 2.982 14.830 -4.188 1.00 0.00 1CD12112
+ATOM 11884 1HB LEU 33 1.869 17.131 -2.797 1.00 0.00 1CD12113
+ATOM 11885 2HB LEU 33 3.010 16.256 -1.776 1.00 0.00 1CD12114
+ATOM 11886 HG LEU 33 4.074 16.411 -4.441 1.00 0.00 1CD12115
+ATOM 11887 1HD1 LEU 33 3.059 18.992 -3.234 1.00 0.00 1CD12116
+ATOM 11888 2HD1 LEU 33 4.387 18.951 -4.394 1.00 0.00 1CD12117
+ATOM 11889 3HD1 LEU 33 2.787 18.377 -4.864 1.00 0.00 1CD12118
+ATOM 11890 1HD2 LEU 33 4.827 16.848 -1.672 1.00 0.00 1CD12119
+ATOM 11891 2HD2 LEU 33 5.846 16.408 -3.043 1.00 0.00 1CD12120
+ATOM 11892 3HD2 LEU 33 5.506 18.106 -2.706 1.00 0.00 1CD12121
+ATOM 11893 N GLN 34 1.318 13.070 -2.544 1.00 0.00 1CD12122
+ATOM 11894 CA GLN 34 1.194 11.985 -1.529 1.00 0.00 1CD12123
+ATOM 11895 C GLN 34 1.136 10.628 -2.231 1.00 0.00 1CD12124
+ATOM 11896 O GLN 34 0.081 10.160 -2.613 1.00 0.00 1CD12125
+ATOM 11897 CB GLN 34 -0.087 12.192 -0.717 1.00 0.00 1CD12126
+ATOM 11898 CG GLN 34 -1.276 12.333 -1.668 1.00 0.00 1CD12127
+ATOM 11899 CD GLN 34 -2.058 13.601 -1.324 1.00 0.00 1CD12128
+ATOM 11900 OE1 GLN 34 -1.855 14.637 -1.926 1.00 0.00 1CD12129
+ATOM 11901 NE2 GLN 34 -2.950 13.564 -0.372 1.00 0.00 1CD12130
+ATOM 11902 H GLN 34 0.753 13.059 -3.344 1.00 0.00 1CD12131
+ATOM 11903 HA GLN 34 2.046 12.012 -0.867 1.00 0.00 1CD12132
+ATOM 11904 1HB GLN 34 -0.242 11.342 -0.068 1.00 0.00 1CD12133
+ATOM 11905 2HB GLN 34 0.004 13.087 -0.122 1.00 0.00 1CD12134
+ATOM 11906 1HG GLN 34 -0.918 12.394 -2.686 1.00 0.00 1CD12135
+ATOM 11907 2HG GLN 34 -1.923 11.474 -1.566 1.00 0.00 1CD12136
+ATOM 11908 1HE2 GLN 34 -3.456 14.372 -0.144 1.00 0.00 1CD12137
+ATOM 11909 2HE2 GLN 34 -3.114 12.729 0.114 1.00 0.00 1CD12138
+ATOM 11910 N VAL 35 2.261 9.989 -2.399 1.00 0.00 1CD12139
+ATOM 11911 CA VAL 35 2.268 8.658 -3.070 1.00 0.00 1CD12140
+ATOM 11912 C VAL 35 1.659 7.620 -2.127 1.00 0.00 1CD12141
+ATOM 11913 O VAL 35 1.812 7.697 -0.924 1.00 0.00 1CD12142
+ATOM 11914 CB VAL 35 3.708 8.266 -3.408 1.00 0.00 1CD12143
+ATOM 11915 CG1 VAL 35 3.709 6.973 -4.225 1.00 0.00 1CD12144
+ATOM 11916 CG2 VAL 35 4.362 9.384 -4.222 1.00 0.00 1CD12145
+ATOM 11917 H VAL 35 3.100 10.381 -2.080 1.00 0.00 1CD12146
+ATOM 11918 HA VAL 35 1.685 8.708 -3.979 1.00 0.00 1CD12147
+ATOM 11919 HB VAL 35 4.262 8.113 -2.492 1.00 0.00 1CD12148
+ATOM 11920 1HG1 VAL 35 2.841 6.954 -4.868 1.00 0.00 1CD12149
+ATOM 11921 2HG1 VAL 35 4.605 6.930 -4.828 1.00 0.00 1CD12150
+ATOM 11922 3HG1 VAL 35 3.683 6.124 -3.559 1.00 0.00 1CD12151
+ATOM 11923 1HG2 VAL 35 4.350 10.300 -3.649 1.00 0.00 1CD12152
+ATOM 11924 2HG2 VAL 35 5.382 9.115 -4.450 1.00 0.00 1CD12153
+ATOM 11925 3HG2 VAL 35 3.813 9.528 -5.141 1.00 0.00 1CD12154
+ATOM 11926 N TYR 36 0.965 6.651 -2.657 1.00 0.00 1CD12155
+ATOM 11927 CA TYR 36 0.346 5.618 -1.781 1.00 0.00 1CD12156
+ATOM 11928 C TYR 36 0.852 4.230 -2.176 1.00 0.00 1CD12157
+ATOM 11929 O TYR 36 0.237 3.533 -2.960 1.00 0.00 1CD12158
+ATOM 11930 CB TYR 36 -1.177 5.666 -1.933 1.00 0.00 1CD12159
+ATOM 11931 CG TYR 36 -1.751 6.698 -0.992 1.00 0.00 1CD12160
+ATOM 11932 CD1 TYR 36 -1.715 6.481 0.390 1.00 0.00 1CD12161
+ATOM 11933 CD2 TYR 36 -2.324 7.869 -1.502 1.00 0.00 1CD12162
+ATOM 11934 CE1 TYR 36 -2.250 7.438 1.262 1.00 0.00 1CD12163
+ATOM 11935 CE2 TYR 36 -2.859 8.826 -0.630 1.00 0.00 1CD12164
+ATOM 11936 CZ TYR 36 -2.822 8.609 0.753 1.00 0.00 1CD12165
+ATOM 11937 OH TYR 36 -3.349 9.551 1.613 1.00 0.00 1CD12166
+ATOM 11938 H TYR 36 0.847 6.605 -3.629 1.00 0.00 1CD12167
+ATOM 11939 HA TYR 36 0.611 5.815 -0.752 1.00 0.00 1CD12168
+ATOM 11940 1HB TYR 36 -1.428 5.928 -2.951 1.00 0.00 1CD12169
+ATOM 11941 2HB TYR 36 -1.591 4.697 -1.699 1.00 0.00 1CD12170
+ATOM 11942 HD1 TYR 36 -1.274 5.578 0.783 1.00 0.00 1CD12171
+ATOM 11943 HD2 TYR 36 -2.352 8.038 -2.569 1.00 0.00 1CD12172
+ATOM 11944 HE1 TYR 36 -2.221 7.270 2.329 1.00 0.00 1CD12173
+ATOM 11945 HE2 TYR 36 -3.300 9.729 -1.023 1.00 0.00 1CD12174
+ATOM 11946 HH TYR 36 -4.074 9.142 2.093 1.00 0.00 1CD12175
+ATOM 11947 N ASN 37 1.962 3.816 -1.631 1.00 0.00 1CD12176
+ATOM 11948 CA ASN 37 2.500 2.468 -1.966 1.00 0.00 1CD12177
+ATOM 11949 C ASN 37 1.752 1.420 -1.140 1.00 0.00 1CD12178
+ATOM 11950 O ASN 37 1.875 1.369 0.067 1.00 0.00 1CD12179
+ATOM 11951 CB ASN 37 3.991 2.413 -1.629 1.00 0.00 1CD12180
+ATOM 11952 CG ASN 37 4.793 3.096 -2.739 1.00 0.00 1CD12181
+ATOM 11953 OD1 ASN 37 5.293 2.442 -3.633 1.00 0.00 1CD12182
+ATOM 11954 ND2 ASN 37 4.939 4.392 -2.720 1.00 0.00 1CD12183
+ATOM 11955 H ASN 37 2.436 4.391 -0.994 1.00 0.00 1CD12184
+ATOM 11956 HA ASN 37 2.356 2.270 -3.019 1.00 0.00 1CD12185
+ATOM 11957 1HB ASN 37 4.167 2.923 -0.692 1.00 0.00 1CD12186
+ATOM 11958 2HB ASN 37 4.304 1.384 -1.543 1.00 0.00 1CD12187
+ATOM 11959 1HD2 ASN 37 5.451 4.838 -3.426 1.00 0.00 1CD12188
+ATOM 11960 2HD2 ASN 37 4.536 4.920 -1.998 1.00 0.00 1CD12189
+ATOM 11961 N LYS 38 0.970 0.587 -1.772 1.00 0.00 1CD12190
+ATOM 11962 CA LYS 38 0.217 -0.439 -1.000 1.00 0.00 1CD12191
+ATOM 11963 C LYS 38 -0.132 -1.629 -1.894 1.00 0.00 1CD12192
+ATOM 11964 O LYS 38 -0.192 -1.523 -3.106 1.00 0.00 1CD12193
+ATOM 11965 CB LYS 38 -1.074 0.185 -0.462 1.00 0.00 1CD12194
+ATOM 11966 CG LYS 38 -1.885 -0.877 0.282 1.00 0.00 1CD12195
+ATOM 11967 CD LYS 38 -2.908 -0.192 1.191 1.00 0.00 1CD12196
+ATOM 11968 CE LYS 38 -3.678 0.860 0.391 1.00 0.00 1CD12197
+ATOM 11969 NZ LYS 38 -5.065 0.972 0.923 1.00 0.00 1CD12198
+ATOM 11970 H LYS 38 0.872 0.644 -2.746 1.00 0.00 1CD12199
+ATOM 11971 HA LYS 38 0.818 -0.781 -0.172 1.00 0.00 1CD12200
+ATOM 11972 1HB LYS 38 -0.829 0.993 0.213 1.00 0.00 1CD12201
+ATOM 11973 2HB LYS 38 -1.658 0.568 -1.286 1.00 0.00 1CD12202
+ATOM 11974 1HG LYS 38 -2.399 -1.504 -0.432 1.00 0.00 1CD12203
+ATOM 11975 2HG LYS 38 -1.222 -1.482 0.882 1.00 0.00 1CD12204
+ATOM 11976 1HD LYS 38 -3.597 -0.930 1.577 1.00 0.00 1CD12205
+ATOM 11977 2HD LYS 38 -2.396 0.287 2.012 1.00 0.00 1CD12206
+ATOM 11978 1HE LYS 38 -3.181 1.814 0.479 1.00 0.00 1CD12207
+ATOM 11979 2HE LYS 38 -3.714 0.566 -0.648 1.00 0.00 1CD12208
+ATOM 11980 1HZ LYS 38 -5.113 0.529 1.863 1.00 0.00 1CD12209
+ATOM 11981 2HZ LYS 38 -5.328 1.977 0.998 1.00 0.00 1CD12210
+ATOM 11982 3HZ LYS 38 -5.723 0.488 0.281 1.00 0.00 1CD12211
+ATOM 11983 N CYS 39 -0.376 -2.762 -1.295 1.00 0.00 1CD12212
+ATOM 11984 CA CYS 39 -0.741 -3.969 -2.084 1.00 0.00 1CD12213
+ATOM 11985 C CYS 39 -2.208 -3.852 -2.492 1.00 0.00 1CD12214
+ATOM 11986 O CYS 39 -3.042 -3.434 -1.715 1.00 0.00 1CD12215
+ATOM 11987 CB CYS 39 -0.544 -5.223 -1.228 1.00 0.00 1CD12216
+ATOM 11988 SG CYS 39 0.673 -6.309 -2.014 1.00 0.00 1CD12217
+ATOM 11989 H CYS 39 -0.331 -2.811 -0.318 1.00 0.00 1CD12218
+ATOM 11990 HA CYS 39 -0.120 -4.028 -2.967 1.00 0.00 1CD12219
+ATOM 11991 1HB CYS 39 -0.191 -4.937 -0.248 1.00 0.00 1CD12220
+ATOM 11992 2HB CYS 39 -1.484 -5.745 -1.132 1.00 0.00 1CD12221
+ATOM 11993 N TRP 40 -2.532 -4.191 -3.708 1.00 0.00 1CD12222
+ATOM 11994 CA TRP 40 -3.942 -4.064 -4.151 1.00 0.00 1CD12223
+ATOM 11995 C TRP 40 -4.321 -5.258 -5.031 1.00 0.00 1CD12224
+ATOM 11996 O TRP 40 -3.472 -5.928 -5.588 1.00 0.00 1CD12225
+ATOM 11997 CB TRP 40 -4.063 -2.765 -4.943 1.00 0.00 1CD12226
+ATOM 11998 CG TRP 40 -5.433 -2.204 -4.798 1.00 0.00 1CD12227
+ATOM 11999 CD1 TRP 40 -6.509 -2.624 -5.488 1.00 0.00 1CD12228
+ATOM 12000 CD2 TRP 40 -5.890 -1.127 -3.929 1.00 0.00 1CD12229
+ATOM 12001 NE1 TRP 40 -7.606 -1.872 -5.106 1.00 0.00 1CD12230
+ATOM 12002 CE2 TRP 40 -7.275 -0.937 -4.145 1.00 0.00 1CD12231
+ATOM 12003 CE3 TRP 40 -5.245 -0.306 -2.987 1.00 0.00 1CD12232
+ATOM 12004 CZ2 TRP 40 -7.996 0.036 -3.450 1.00 0.00 1CD12233
+ATOM 12005 CZ3 TRP 40 -5.969 0.673 -2.285 1.00 0.00 1CD12234
+ATOM 12006 CH2 TRP 40 -7.341 0.843 -2.516 1.00 0.00 1CD12235
+ATOM 12007 H TRP 40 -1.850 -4.506 -4.334 1.00 0.00 1CD12236
+ATOM 12008 HA TRP 40 -4.592 -4.023 -3.291 1.00 0.00 1CD12237
+ATOM 12009 1HB TRP 40 -3.347 -2.055 -4.563 1.00 0.00 1CD12238
+ATOM 12010 2HB TRP 40 -3.861 -2.959 -5.987 1.00 0.00 1CD12239
+ATOM 12011 HD1 TRP 40 -6.507 -3.418 -6.221 1.00 0.00 1CD12240
+ATOM 12012 HE1 TRP 40 -8.512 -1.974 -5.460 1.00 0.00 1CD12241
+ATOM 12013 HE3 TRP 40 -4.188 -0.429 -2.800 1.00 0.00 1CD12242
+ATOM 12014 HZ2 TRP 40 -9.053 0.162 -3.632 1.00 0.00 1CD12243
+ATOM 12015 HZ3 TRP 40 -5.465 1.299 -1.563 1.00 0.00 1CD12244
+ATOM 12016 HH2 TRP 40 -7.892 1.598 -1.974 1.00 0.00 1CD12245
+ATOM 12017 N LYS 41 -5.590 -5.535 -5.158 1.00 0.00 1CD12246
+ATOM 12018 CA LYS 41 -6.019 -6.689 -5.998 1.00 0.00 1CD12247
+ATOM 12019 C LYS 41 -6.376 -6.194 -7.402 1.00 0.00 1CD12248
+ATOM 12020 O LYS 41 -6.510 -5.010 -7.637 1.00 0.00 1CD12249
+ATOM 12021 CB LYS 41 -7.241 -7.355 -5.362 1.00 0.00 1CD12250
+ATOM 12022 CG LYS 41 -6.802 -8.150 -4.132 1.00 0.00 1CD12251
+ATOM 12023 CD LYS 41 -7.455 -9.534 -4.160 1.00 0.00 1CD12252
+ATOM 12024 CE LYS 41 -6.447 -10.587 -3.698 1.00 0.00 1CD12253
+ATOM 12025 NZ LYS 41 -7.175 -11.744 -3.108 1.00 0.00 1CD12254
+ATOM 12026 H LYS 41 -6.260 -4.988 -4.698 1.00 0.00 1CD12255
+ATOM 12027 HA LYS 41 -5.213 -7.405 -6.064 1.00 0.00 1CD12256
+ATOM 12028 1HB LYS 41 -7.953 -6.597 -5.069 1.00 0.00 1CD12257
+ATOM 12029 2HB LYS 41 -7.699 -8.023 -6.076 1.00 0.00 1CD12258
+ATOM 12030 1HG LYS 41 -5.727 -8.258 -4.136 1.00 0.00 1CD12259
+ATOM 12031 2HG LYS 41 -7.109 -7.628 -3.237 1.00 0.00 1CD12260
+ATOM 12032 1HD LYS 41 -8.312 -9.541 -3.501 1.00 0.00 1CD12261
+ATOM 12033 2HD LYS 41 -7.775 -9.761 -5.166 1.00 0.00 1CD12262
+ATOM 12034 1HE LYS 41 -5.863 -10.922 -4.542 1.00 0.00 1CD12263
+ATOM 12035 2HE LYS 41 -5.791 -10.157 -2.955 1.00 0.00 1CD12264
+ATOM 12036 1HZ LYS 41 -8.156 -11.749 -3.455 1.00 0.00 1CD12265
+ATOM 12037 2HZ LYS 41 -6.704 -12.629 -3.384 1.00 0.00 1CD12266
+ATOM 12038 3HZ LYS 41 -7.174 -11.663 -2.071 1.00 0.00 1CD12267
+ATOM 12039 N PHE 42 -6.534 -7.092 -8.336 1.00 0.00 1CD12268
+ATOM 12040 CA PHE 42 -6.881 -6.674 -9.722 1.00 0.00 1CD12269
+ATOM 12041 C PHE 42 -8.382 -6.406 -9.805 1.00 0.00 1CD12270
+ATOM 12042 O PHE 42 -8.832 -5.562 -10.555 1.00 0.00 1CD12271
+ATOM 12043 CB PHE 42 -6.506 -7.789 -10.699 1.00 0.00 1CD12272
+ATOM 12044 CG PHE 42 -5.603 -7.233 -11.774 1.00 0.00 1CD12273
+ATOM 12045 CD1 PHE 42 -6.155 -6.690 -12.940 1.00 0.00 1CD12274
+ATOM 12046 CD2 PHE 42 -4.214 -7.259 -11.604 1.00 0.00 1CD12275
+ATOM 12047 CE1 PHE 42 -5.318 -6.174 -13.935 1.00 0.00 1CD12276
+ATOM 12048 CE2 PHE 42 -3.377 -6.743 -12.600 1.00 0.00 1CD12277
+ATOM 12049 CZ PHE 42 -3.929 -6.200 -13.766 1.00 0.00 1CD12278
+ATOM 12050 H PHE 42 -6.425 -8.042 -8.126 1.00 0.00 1CD12279
+ATOM 12051 HA PHE 42 -6.340 -5.775 -9.975 1.00 0.00 1CD12280
+ATOM 12052 1HB PHE 42 -5.992 -8.576 -10.168 1.00 0.00 1CD12281
+ATOM 12053 2HB PHE 42 -7.401 -8.186 -11.154 1.00 0.00 1CD12282
+ATOM 12054 HD1 PHE 42 -7.228 -6.669 -13.071 1.00 0.00 1CD12283
+ATOM 12055 HD2 PHE 42 -3.788 -7.678 -10.703 1.00 0.00 1CD12284
+ATOM 12056 HE1 PHE 42 -5.745 -5.754 -14.835 1.00 0.00 1CD12285
+ATOM 12057 HE2 PHE 42 -2.304 -6.764 -12.468 1.00 0.00 1CD12286
+ATOM 12058 HZ PHE 42 -3.283 -5.802 -14.534 1.00 0.00 1CD12287
+ATOM 12059 N GLU 43 -9.162 -7.120 -9.042 1.00 0.00 1CD12288
+ATOM 12060 CA GLU 43 -10.632 -6.908 -9.082 1.00 0.00 1CD12289
+ATOM 12061 C GLU 43 -10.960 -5.529 -8.508 1.00 0.00 1CD12290
+ATOM 12062 O GLU 43 -11.932 -4.904 -8.883 1.00 0.00 1CD12291
+ATOM 12063 CB GLU 43 -11.331 -7.991 -8.257 1.00 0.00 1CD12292
+ATOM 12064 CG GLU 43 -10.573 -8.206 -6.945 1.00 0.00 1CD12293
+ATOM 12065 CD GLU 43 -11.543 -8.709 -5.874 1.00 0.00 1CD12294
+ATOM 12066 OE1 GLU 43 -12.674 -8.251 -5.863 1.00 0.00 1CD12295
+ATOM 12067 OE2 GLU 43 -11.138 -9.544 -5.081 1.00 0.00 1CD12296
+ATOM 12068 H GLU 43 -8.779 -7.798 -8.446 1.00 0.00 1CD12297
+ATOM 12069 HA GLU 43 -10.968 -6.959 -10.104 1.00 0.00 1CD12298
+ATOM 12070 1HB GLU 43 -12.344 -7.682 -8.042 1.00 0.00 1CD12299
+ATOM 12071 2HB GLU 43 -11.348 -8.914 -8.816 1.00 0.00 1CD12300
+ATOM 12072 1HG GLU 43 -9.792 -8.937 -7.097 1.00 0.00 1CD12301
+ATOM 12073 2HG GLU 43 -10.137 -7.273 -6.623 1.00 0.00 1CD12302
+ATOM 12074 N HIS 44 -10.155 -5.050 -7.602 1.00 0.00 1CD12303
+ATOM 12075 CA HIS 44 -10.419 -3.711 -7.006 1.00 0.00 1CD12304
+ATOM 12076 C HIS 44 -9.600 -2.654 -7.751 1.00 0.00 1CD12305
+ATOM 12077 O HIS 44 -9.436 -1.542 -7.288 1.00 0.00 1CD12306
+ATOM 12078 CB HIS 44 -10.019 -3.726 -5.529 1.00 0.00 1CD12307
+ATOM 12079 CG HIS 44 -10.831 -4.760 -4.798 1.00 0.00 1CD12308
+ATOM 12080 ND1 HIS 44 -10.734 -4.938 -3.426 1.00 0.00 1CD12309
+ATOM 12081 CD2 HIS 44 -11.758 -5.675 -5.231 1.00 0.00 1CD12310
+ATOM 12082 CE1 HIS 44 -11.582 -5.925 -3.085 1.00 0.00 1CD12311
+ATOM 12083 NE2 HIS 44 -12.231 -6.411 -4.147 1.00 0.00 1CD12312
+ATOM 12084 H HIS 44 -9.376 -5.569 -7.314 1.00 0.00 1CD12313
+ATOM 12085 HA HIS 44 -11.468 -3.478 -7.092 1.00 0.00 1CD12314
+ATOM 12086 1HB HIS 44 -8.970 -3.968 -5.444 1.00 0.00 1CD12315
+ATOM 12087 2HB HIS 44 -10.201 -2.754 -5.098 1.00 0.00 1CD12316
+ATOM 12088 HD1 HIS 44 -10.156 -4.435 -2.816 1.00 0.00 1CD12317
+ATOM 12089 HD2 HIS 44 -12.073 -5.805 -6.255 1.00 0.00 1CD12318
+ATOM 12090 HE1 HIS 44 -11.719 -6.283 -2.075 1.00 0.00 1CD12319
+ATOM 12091 N CYS 45 -9.086 -2.989 -8.904 1.00 0.00 1CD12320
+ATOM 12092 CA CYS 45 -8.280 -1.999 -9.675 1.00 0.00 1CD12321
+ATOM 12093 C CYS 45 -9.203 -1.177 -10.576 1.00 0.00 1CD12322
+ATOM 12094 O CYS 45 -9.032 -1.129 -11.778 1.00 0.00 1CD12323
+ATOM 12095 CB CYS 45 -7.252 -2.737 -10.535 1.00 0.00 1CD12324
+ATOM 12096 SG CYS 45 -5.790 -3.114 -9.538 1.00 0.00 1CD12325
+ATOM 12097 H CYS 45 -9.232 -3.891 -9.262 1.00 0.00 1CD12326
+ATOM 12098 HA CYS 45 -7.768 -1.341 -8.989 1.00 0.00 1CD12327
+ATOM 12099 1HB CYS 45 -7.683 -3.654 -10.905 1.00 0.00 1CD12328
+ATOM 12100 2HB CYS 45 -6.967 -2.112 -11.369 1.00 0.00 1CD12329
+ATOM 12101 N ASN 46 -10.181 -0.529 -10.005 1.00 0.00 1CD12330
+ATOM 12102 CA ASN 46 -11.115 0.290 -10.829 1.00 0.00 1CD12331
+ATOM 12103 C ASN 46 -11.058 1.746 -10.364 1.00 0.00 1CD12332
+ATOM 12104 O ASN 46 -10.561 2.048 -9.297 1.00 0.00 1CD12333
+ATOM 12105 CB ASN 46 -12.540 -0.242 -10.664 1.00 0.00 1CD12334
+ATOM 12106 CG ASN 46 -12.500 -1.762 -10.489 1.00 0.00 1CD12335
+ATOM 12107 OD1 ASN 46 -11.711 -2.438 -11.120 1.00 0.00 1CD12336
+ATOM 12108 ND2 ASN 46 -13.325 -2.332 -9.655 1.00 0.00 1CD12337
+ATOM 12109 H ASN 46 -10.302 -0.581 -9.034 1.00 0.00 1CD12338
+ATOM 12110 HA ASN 46 -10.825 0.230 -11.867 1.00 0.00 1CD12339
+ATOM 12111 1HB ASN 46 -12.994 0.209 -9.795 1.00 0.00 1CD12340
+ATOM 12112 2HB ASN 46 -13.119 0.003 -11.542 1.00 0.00 1CD12341
+ATOM 12113 1HD2 ASN 46 -13.307 -3.305 -9.534 1.00 0.00 1CD12342
+ATOM 12114 2HD2 ASN 46 -13.962 -1.787 -9.148 1.00 0.00 1CD12343
+ATOM 12115 N PHE 47 -11.562 2.653 -11.156 1.00 0.00 1CD12344
+ATOM 12116 CA PHE 47 -11.534 4.087 -10.754 1.00 0.00 1CD12345
+ATOM 12117 C PHE 47 -12.503 4.310 -9.591 1.00 0.00 1CD12346
+ATOM 12118 O PHE 47 -12.564 5.380 -9.019 1.00 0.00 1CD12347
+ATOM 12119 CB PHE 47 -11.952 4.958 -11.941 1.00 0.00 1CD12348
+ATOM 12120 CG PHE 47 -11.902 6.413 -11.538 1.00 0.00 1CD12349
+ATOM 12121 CD1 PHE 47 -10.675 7.089 -11.509 1.00 0.00 1CD12350
+ATOM 12122 CD2 PHE 47 -13.080 7.086 -11.193 1.00 0.00 1CD12351
+ATOM 12123 CE1 PHE 47 -10.629 8.437 -11.134 1.00 0.00 1CD12352
+ATOM 12124 CE2 PHE 47 -13.033 8.434 -10.818 1.00 0.00 1CD12353
+ATOM 12125 CZ PHE 47 -11.807 9.110 -10.789 1.00 0.00 1CD12354
+ATOM 12126 H PHE 47 -11.959 2.390 -12.012 1.00 0.00 1CD12355
+ATOM 12127 HA PHE 47 -10.534 4.354 -10.446 1.00 0.00 1CD12356
+ATOM 12128 1HB PHE 47 -11.276 4.789 -12.766 1.00 0.00 1CD12357
+ATOM 12129 2HB PHE 47 -12.958 4.703 -12.239 1.00 0.00 1CD12358
+ATOM 12130 HD1 PHE 47 -9.767 6.571 -11.776 1.00 0.00 1CD12359
+ATOM 12131 HD2 PHE 47 -14.026 6.564 -11.215 1.00 0.00 1CD12360
+ATOM 12132 HE1 PHE 47 -9.684 8.958 -11.112 1.00 0.00 1CD12361
+ATOM 12133 HE2 PHE 47 -13.942 8.953 -10.552 1.00 0.00 1CD12362
+ATOM 12134 HZ PHE 47 -11.770 10.150 -10.500 1.00 0.00 1CD12363
+ATOM 12135 N ASN 48 -13.263 3.309 -9.236 1.00 0.00 1CD12364
+ATOM 12136 CA ASN 48 -14.227 3.469 -8.112 1.00 0.00 1CD12365
+ATOM 12137 C ASN 48 -13.760 2.639 -6.912 1.00 0.00 1CD12366
+ATOM 12138 O ASN 48 -13.854 3.065 -5.778 1.00 0.00 1CD12367
+ATOM 12139 CB ASN 48 -15.612 2.992 -8.556 1.00 0.00 1CD12368
+ATOM 12140 CG ASN 48 -15.518 1.550 -9.057 1.00 0.00 1CD12369
+ATOM 12141 OD1 ASN 48 -14.914 1.288 -10.078 1.00 0.00 1CD12370
+ATOM 12142 ND2 ASN 48 -16.092 0.596 -8.376 1.00 0.00 1CD12371
+ATOM 12143 H ASN 48 -13.200 2.454 -9.710 1.00 0.00 1CD12372
+ATOM 12144 HA ASN 48 -14.279 4.509 -7.829 1.00 0.00 1CD12373
+ATOM 12145 1HB ASN 48 -16.293 3.040 -7.719 1.00 0.00 1CD12374
+ATOM 12146 2HB ASN 48 -15.973 3.624 -9.352 1.00 0.00 1CD12375
+ATOM 12147 1HD2 ASN 48 -16.037 -0.331 -8.689 1.00 0.00 1CD12376
+ATOM 12148 2HD2 ASN 48 -16.579 0.807 -7.552 1.00 0.00 1CD12377
+ATOM 12149 N ASP 49 -13.263 1.456 -7.150 1.00 0.00 1CD12378
+ATOM 12150 CA ASP 49 -12.796 0.602 -6.019 1.00 0.00 1CD12379
+ATOM 12151 C ASP 49 -11.517 1.193 -5.423 1.00 0.00 1CD12380
+ATOM 12152 O ASP 49 -11.047 0.761 -4.389 1.00 0.00 1CD12381
+ATOM 12153 CB ASP 49 -12.510 -0.810 -6.531 1.00 0.00 1CD12382
+ATOM 12154 CG ASP 49 -13.527 -1.786 -5.936 1.00 0.00 1CD12383
+ATOM 12155 OD1 ASP 49 -14.175 -1.421 -4.968 1.00 0.00 1CD12384
+ATOM 12156 OD2 ASP 49 -13.641 -2.883 -6.457 1.00 0.00 1CD12385
+ATOM 12157 H ASP 49 -13.196 1.126 -8.071 1.00 0.00 1CD12386
+ATOM 12158 HA ASP 49 -13.561 0.562 -5.259 1.00 0.00 1CD12387
+ATOM 12159 1HB ASP 49 -12.586 -0.821 -7.610 1.00 0.00 1CD12388
+ATOM 12160 2HB ASP 49 -11.515 -1.106 -6.237 1.00 0.00 1CD12389
+ATOM 12161 N VAL 50 -10.949 2.175 -6.064 1.00 0.00 1CD12390
+ATOM 12162 CA VAL 50 -9.700 2.788 -5.531 1.00 0.00 1CD12391
+ATOM 12163 C VAL 50 -10.018 4.150 -4.912 1.00 0.00 1CD12392
+ATOM 12164 O VAL 50 -9.551 4.479 -3.840 1.00 0.00 1CD12393
+ATOM 12165 CB VAL 50 -8.695 2.966 -6.670 1.00 0.00 1CD12394
+ATOM 12166 CG1 VAL 50 -7.546 3.863 -6.205 1.00 0.00 1CD12395
+ATOM 12167 CG2 VAL 50 -8.140 1.599 -7.072 1.00 0.00 1CD12396
+ATOM 12168 H VAL 50 -11.344 2.507 -6.898 1.00 0.00 1CD12397
+ATOM 12169 HA VAL 50 -9.276 2.141 -4.777 1.00 0.00 1CD12398
+ATOM 12170 HB VAL 50 -9.189 3.421 -7.518 1.00 0.00 1CD12399
+ATOM 12171 1HG1 VAL 50 -7.943 4.800 -5.844 1.00 0.00 1CD12400
+ATOM 12172 2HG1 VAL 50 -7.006 3.369 -5.412 1.00 0.00 1CD12401
+ATOM 12173 3HG1 VAL 50 -6.878 4.050 -7.033 1.00 0.00 1CD12402
+ATOM 12174 1HG2 VAL 50 -8.627 0.828 -6.492 1.00 0.00 1CD12403
+ATOM 12175 2HG2 VAL 50 -8.324 1.430 -8.123 1.00 0.00 1CD12404
+ATOM 12176 3HG2 VAL 50 -7.077 1.574 -6.884 1.00 0.00 1CD12405
+ATOM 12177 N THR 51 -10.809 4.945 -5.578 1.00 0.00 1CD12406
+ATOM 12178 CA THR 51 -11.154 6.285 -5.025 1.00 0.00 1CD12407
+ATOM 12179 C THR 51 -12.039 6.118 -3.787 1.00 0.00 1CD12408
+ATOM 12180 O THR 51 -12.347 7.073 -3.102 1.00 0.00 1CD12409
+ATOM 12181 CB THR 51 -11.903 7.094 -6.086 1.00 0.00 1CD12410
+ATOM 12182 OG1 THR 51 -12.757 6.231 -6.822 1.00 0.00 1CD12411
+ATOM 12183 CG2 THR 51 -10.893 7.748 -7.033 1.00 0.00 1CD12412
+ATOM 12184 H THR 51 -11.176 4.662 -6.441 1.00 0.00 1CD12413
+ATOM 12185 HA THR 51 -10.248 6.804 -4.750 1.00 0.00 1CD12414
+ATOM 12186 HB THR 51 -12.490 7.862 -5.607 1.00 0.00 1CD12415
+ATOM 12187 HG1 THR 51 -13.463 6.762 -7.198 1.00 0.00 1CD12416
+ATOM 12188 1HG2 THR 51 -10.009 8.027 -6.480 1.00 0.00 1CD12417
+ATOM 12189 2HG2 THR 51 -10.626 7.050 -7.812 1.00 0.00 1CD12418
+ATOM 12190 3HG2 THR 51 -11.333 8.630 -7.475 1.00 0.00 1CD12419
+ATOM 12191 N THR 52 -12.450 4.915 -3.494 1.00 0.00 1CD12420
+ATOM 12192 CA THR 52 -13.314 4.693 -2.300 1.00 0.00 1CD12421
+ATOM 12193 C THR 52 -12.520 3.951 -1.228 1.00 0.00 1CD12422
+ATOM 12194 O THR 52 -12.587 4.276 -0.060 1.00 0.00 1CD12423
+ATOM 12195 CB THR 52 -14.530 3.866 -2.702 1.00 0.00 1CD12424
+ATOM 12196 OG1 THR 52 -15.400 3.730 -1.587 1.00 0.00 1CD12425
+ATOM 12197 CG2 THR 52 -14.081 2.483 -3.177 1.00 0.00 1CD12426
+ATOM 12198 H THR 52 -12.192 4.157 -4.059 1.00 0.00 1CD12427
+ATOM 12199 HA THR 52 -13.640 5.646 -1.911 1.00 0.00 1CD12428
+ATOM 12200 HB THR 52 -15.044 4.367 -3.501 1.00 0.00 1CD12429
+ATOM 12201 HG1 THR 52 -16.165 4.290 -1.737 1.00 0.00 1CD12430
+ATOM 12202 1HG2 THR 52 -13.161 2.575 -3.734 1.00 0.00 1CD12431
+ATOM 12203 2HG2 THR 52 -13.920 1.844 -2.321 1.00 0.00 1CD12432
+ATOM 12204 3HG2 THR 52 -14.844 2.054 -3.809 1.00 0.00 1CD12433
+ATOM 12205 N ARG 53 -11.760 2.961 -1.609 1.00 0.00 1CD12434
+ATOM 12206 CA ARG 53 -10.960 2.225 -0.596 1.00 0.00 1CD12435
+ATOM 12207 C ARG 53 -10.071 3.234 0.125 1.00 0.00 1CD12436
+ATOM 12208 O ARG 53 -9.892 3.180 1.325 1.00 0.00 1CD12437
+ATOM 12209 CB ARG 53 -10.091 1.171 -1.285 1.00 0.00 1CD12438
+ATOM 12210 CG ARG 53 -10.852 -0.155 -1.351 1.00 0.00 1CD12439
+ATOM 12211 CD ARG 53 -9.927 -1.296 -0.923 1.00 0.00 1CD12440
+ATOM 12212 NE ARG 53 -10.324 -1.776 0.430 1.00 0.00 1CD12441
+ATOM 12213 CZ ARG 53 -9.446 -1.812 1.396 1.00 0.00 1CD12442
+ATOM 12214 NH1 ARG 53 -8.513 -0.902 1.464 1.00 0.00 1CD12443
+ATOM 12215 NH2 ARG 53 -9.500 -2.760 2.292 1.00 0.00 1CD12444
+ATOM 12216 H ARG 53 -11.707 2.715 -2.556 1.00 0.00 1CD12445
+ATOM 12217 HA ARG 53 -11.620 1.749 0.114 1.00 0.00 1CD12446
+ATOM 12218 1HB ARG 53 -9.849 1.501 -2.286 1.00 0.00 1CD12447
+ATOM 12219 2HB ARG 53 -9.180 1.033 -0.723 1.00 0.00 1CD12448
+ATOM 12220 1HG ARG 53 -11.705 -0.113 -0.690 1.00 0.00 1CD12449
+ATOM 12221 2HG ARG 53 -11.188 -0.326 -2.363 1.00 0.00 1CD12450
+ATOM 12222 1HD ARG 53 -10.007 -2.108 -1.631 1.00 0.00 1CD12451
+ATOM 12223 2HD ARG 53 -8.907 -0.942 -0.896 1.00 0.00 1CD12452
+ATOM 12224 HE ARG 53 -11.246 -2.066 0.596 1.00 0.00 1CD12453
+ATOM 12225 1HH1 ARG 53 -8.470 -0.177 0.777 1.00 0.00 1CD12454
+ATOM 12226 2HH1 ARG 53 -7.840 -0.930 2.204 1.00 0.00 1CD12455
+ATOM 12227 1HH2 ARG 53 -10.214 -3.458 2.238 1.00 0.00 1CD12456
+ATOM 12228 2HH2 ARG 53 -8.827 -2.787 3.031 1.00 0.00 1CD12457
+ATOM 12229 N LEU 54 -9.526 4.168 -0.607 1.00 0.00 1CD12458
+ATOM 12230 CA LEU 54 -8.661 5.198 0.020 1.00 0.00 1CD12459
+ATOM 12231 C LEU 54 -9.541 6.332 0.551 1.00 0.00 1CD12460
+ATOM 12232 O LEU 54 -9.101 7.161 1.322 1.00 0.00 1CD12461
+ATOM 12233 CB LEU 54 -7.690 5.750 -1.025 1.00 0.00 1CD12462
+ATOM 12234 CG LEU 54 -7.016 4.589 -1.756 1.00 0.00 1CD12463
+ATOM 12235 CD1 LEU 54 -6.490 5.072 -3.108 1.00 0.00 1CD12464
+ATOM 12236 CD2 LEU 54 -5.851 4.066 -0.914 1.00 0.00 1CD12465
+ATOM 12237 H LEU 54 -9.694 4.194 -1.573 1.00 0.00 1CD12466
+ATOM 12238 HA LEU 54 -8.105 4.758 0.833 1.00 0.00 1CD12467
+ATOM 12239 1HB LEU 54 -8.233 6.358 -1.735 1.00 0.00 1CD12468
+ATOM 12240 2HB LEU 54 -6.940 6.350 -0.537 1.00 0.00 1CD12469
+ATOM 12241 HG LEU 54 -7.734 3.798 -1.909 1.00 0.00 1CD12470
+ATOM 12242 1HD1 LEU 54 -7.059 5.933 -3.429 1.00 0.00 1CD12471
+ATOM 12243 2HD1 LEU 54 -5.449 5.343 -3.013 1.00 0.00 1CD12472
+ATOM 12244 3HD1 LEU 54 -6.591 4.282 -3.836 1.00 0.00 1CD12473
+ATOM 12245 1HD2 LEU 54 -5.847 4.563 0.045 1.00 0.00 1CD12474
+ATOM 12246 2HD2 LEU 54 -5.963 3.002 -0.768 1.00 0.00 1CD12475
+ATOM 12247 3HD2 LEU 54 -4.920 4.264 -1.425 1.00 0.00 1CD12476
+ATOM 12248 N ARG 55 -10.784 6.376 0.141 1.00 0.00 1CD12477
+ATOM 12249 CA ARG 55 -11.692 7.455 0.620 1.00 0.00 1CD12478
+ATOM 12250 C ARG 55 -11.285 8.784 -0.017 1.00 0.00 1CD12479
+ATOM 12251 O ARG 55 -11.387 9.832 0.589 1.00 0.00 1CD12480
+ATOM 12252 CB ARG 55 -11.603 7.567 2.145 1.00 0.00 1CD12481
+ATOM 12253 CG ARG 55 -11.717 6.173 2.766 1.00 0.00 1CD12482
+ATOM 12254 CD ARG 55 -12.425 6.271 4.118 1.00 0.00 1CD12483
+ATOM 12255 NE ARG 55 -11.453 5.989 5.210 1.00 0.00 1CD12484
+ATOM 12256 CZ ARG 55 -10.682 6.941 5.661 1.00 0.00 1CD12485
+ATOM 12257 NH1 ARG 55 -9.388 6.856 5.518 1.00 0.00 1CD12486
+ATOM 12258 NH2 ARG 55 -11.207 7.979 6.253 1.00 0.00 1CD12487
+ATOM 12259 H ARG 55 -11.122 5.699 -0.486 1.00 0.00 1CD12488
+ATOM 12260 HA ARG 55 -12.706 7.217 0.336 1.00 0.00 1CD12489
+ATOM 12261 1HB ARG 55 -10.658 8.011 2.419 1.00 0.00 1CD12490
+ATOM 12262 2HB ARG 55 -12.411 8.186 2.507 1.00 0.00 1CD12491
+ATOM 12263 1HG ARG 55 -12.283 5.531 2.107 1.00 0.00 1CD12492
+ATOM 12264 2HG ARG 55 -10.729 5.761 2.910 1.00 0.00 1CD12493
+ATOM 12265 1HD ARG 55 -12.828 7.266 4.242 1.00 0.00 1CD12494
+ATOM 12266 2HD ARG 55 -13.230 5.551 4.157 1.00 0.00 1CD12495
+ATOM 12267 HE ARG 55 -11.390 5.088 5.590 1.00 0.00 1CD12496
+ATOM 12268 1HH1 ARG 55 -8.986 6.061 5.064 1.00 0.00 1CD12497
+ATOM 12269 2HH1 ARG 55 -8.798 7.586 5.864 1.00 0.00 1CD12498
+ATOM 12270 1HH2 ARG 55 -12.198 8.045 6.362 1.00 0.00 1CD12499
+ATOM 12271 2HH2 ARG 55 -10.617 8.709 6.599 1.00 0.00 1CD12500
+ATOM 12272 N GLU 56 -10.830 8.747 -1.239 1.00 0.00 1CD12501
+ATOM 12273 CA GLU 56 -10.421 10.005 -1.924 1.00 0.00 1CD12502
+ATOM 12274 C GLU 56 -11.076 10.057 -3.305 1.00 0.00 1CD12503
+ATOM 12275 O GLU 56 -12.013 9.334 -3.583 1.00 0.00 1CD12504
+ATOM 12276 CB GLU 56 -8.899 10.032 -2.073 1.00 0.00 1CD12505
+ATOM 12277 CG GLU 56 -8.248 10.028 -0.688 1.00 0.00 1CD12506
+ATOM 12278 CD GLU 56 -8.152 11.462 -0.164 1.00 0.00 1CD12507
+ATOM 12279 OE1 GLU 56 -7.987 12.358 -0.975 1.00 0.00 1CD12508
+ATOM 12280 OE2 GLU 56 -8.246 11.641 1.039 1.00 0.00 1CD12509
+ATOM 12281 H GLU 56 -10.761 7.890 -1.708 1.00 0.00 1CD12510
+ATOM 12282 HA GLU 56 -10.742 10.855 -1.338 1.00 0.00 1CD12511
+ATOM 12283 1HB GLU 56 -8.576 9.162 -2.625 1.00 0.00 1CD12512
+ATOM 12284 2HB GLU 56 -8.605 10.926 -2.604 1.00 0.00 1CD12513
+ATOM 12285 1HG GLU 56 -8.847 9.435 -0.011 1.00 0.00 1CD12514
+ATOM 12286 2HG GLU 56 -7.257 9.605 -0.756 1.00 0.00 1CD12515
+ATOM 12287 N ASN 57 -10.597 10.904 -4.175 1.00 0.00 1CD12516
+ATOM 12288 CA ASN 57 -11.203 10.992 -5.534 1.00 0.00 1CD12517
+ATOM 12289 C ASN 57 -10.100 11.169 -6.580 1.00 0.00 1CD12518
+ATOM 12290 O ASN 57 -9.805 10.271 -7.343 1.00 0.00 1CD12519
+ATOM 12291 CB ASN 57 -12.159 12.185 -5.593 1.00 0.00 1CD12520
+ATOM 12292 CG ASN 57 -12.879 12.331 -4.251 1.00 0.00 1CD12521
+ATOM 12293 OD1 ASN 57 -12.816 13.369 -3.625 1.00 0.00 1CD12522
+ATOM 12294 ND2 ASN 57 -13.564 11.325 -3.779 1.00 0.00 1CD12523
+ATOM 12295 H ASN 57 -9.841 11.481 -3.936 1.00 0.00 1CD12524
+ATOM 12296 HA ASN 57 -11.751 10.083 -5.742 1.00 0.00 1CD12525
+ATOM 12297 1HB ASN 57 -11.599 13.085 -5.801 1.00 0.00 1CD12526
+ATOM 12298 2HB ASN 57 -12.887 12.026 -6.374 1.00 0.00 1CD12527
+ATOM 12299 1HD2 ASN 57 -14.029 11.409 -2.921 1.00 0.00 1CD12528
+ATOM 12300 2HD2 ASN 57 -13.615 10.487 -4.284 1.00 0.00 1CD12529
+ATOM 12301 N GLU 58 -9.491 12.323 -6.623 1.00 0.00 1CD12530
+ATOM 12302 CA GLU 58 -8.410 12.558 -7.622 1.00 0.00 1CD12531
+ATOM 12303 C GLU 58 -7.152 11.793 -7.207 1.00 0.00 1CD12532
+ATOM 12304 O GLU 58 -6.491 12.142 -6.249 1.00 0.00 1CD12533
+ATOM 12305 CB GLU 58 -8.093 14.054 -7.687 1.00 0.00 1CD12534
+ATOM 12306 CG GLU 58 -9.089 14.749 -8.617 1.00 0.00 1CD12535
+ATOM 12307 CD GLU 58 -8.558 16.134 -8.989 1.00 0.00 1CD12536
+ATOM 12308 OE1 GLU 58 -8.113 16.837 -8.097 1.00 0.00 1CD12537
+ATOM 12309 OE2 GLU 58 -8.604 16.468 -10.163 1.00 0.00 1CD12538
+ATOM 12310 H GLU 58 -9.745 13.035 -6.000 1.00 0.00 1CD12539
+ATOM 12311 HA GLU 58 -8.735 12.217 -8.593 1.00 0.00 1CD12540
+ATOM 12312 1HB GLU 58 -8.167 14.479 -6.696 1.00 0.00 1CD12541
+ATOM 12313 2HB GLU 58 -7.092 14.193 -8.066 1.00 0.00 1CD12542
+ATOM 12314 1HG GLU 58 -9.218 14.158 -9.512 1.00 0.00 1CD12543
+ATOM 12315 2HG GLU 58 -10.039 14.853 -8.113 1.00 0.00 1CD12544
+ATOM 12316 N LEU 59 -6.811 10.756 -7.922 1.00 0.00 1CD12545
+ATOM 12317 CA LEU 59 -5.592 9.978 -7.567 1.00 0.00 1CD12546
+ATOM 12318 C LEU 59 -5.316 8.931 -8.648 1.00 0.00 1CD12547
+ATOM 12319 O LEU 59 -5.946 7.894 -8.696 1.00 0.00 1CD12548
+ATOM 12320 CB LEU 59 -5.800 9.280 -6.221 1.00 0.00 1CD12549
+ATOM 12321 CG LEU 59 -7.197 8.661 -6.175 1.00 0.00 1CD12550
+ATOM 12322 CD1 LEU 59 -7.079 7.136 -6.166 1.00 0.00 1CD12551
+ATOM 12323 CD2 LEU 59 -7.914 9.123 -4.905 1.00 0.00 1CD12552
+ATOM 12324 H LEU 59 -7.354 10.493 -8.694 1.00 0.00 1CD12553
+ATOM 12325 HA LEU 59 -4.749 10.649 -7.495 1.00 0.00 1CD12554
+ATOM 12326 1HB LEU 59 -5.058 8.505 -6.100 1.00 0.00 1CD12555
+ATOM 12327 2HB LEU 59 -5.702 10.001 -5.424 1.00 0.00 1CD12556
+ATOM 12328 HG LEU 59 -7.760 8.974 -7.043 1.00 0.00 1CD12557
+ATOM 12329 1HD1 LEU 59 -6.110 6.848 -6.548 1.00 0.00 1CD12558
+ATOM 12330 2HD1 LEU 59 -7.190 6.771 -5.156 1.00 0.00 1CD12559
+ATOM 12331 3HD1 LEU 59 -7.852 6.711 -6.790 1.00 0.00 1CD12560
+ATOM 12332 1HD2 LEU 59 -7.675 10.158 -4.714 1.00 0.00 1CD12561
+ATOM 12333 2HD2 LEU 59 -8.981 9.018 -5.035 1.00 0.00 1CD12562
+ATOM 12334 3HD2 LEU 59 -7.591 8.518 -4.071 1.00 0.00 1CD12563
+ATOM 12335 N THR 60 -4.375 9.192 -9.516 1.00 0.00 1CD12564
+ATOM 12336 CA THR 60 -4.058 8.208 -10.588 1.00 0.00 1CD12565
+ATOM 12337 C THR 60 -3.535 6.920 -9.951 1.00 0.00 1CD12566
+ATOM 12338 O THR 60 -2.623 6.940 -9.149 1.00 0.00 1CD12567
+ATOM 12339 CB THR 60 -2.989 8.785 -11.520 1.00 0.00 1CD12568
+ATOM 12340 OG1 THR 60 -2.341 9.875 -10.879 1.00 0.00 1CD12569
+ATOM 12341 CG2 THR 60 -3.643 9.269 -12.815 1.00 0.00 1CD12570
+ATOM 12342 H THR 60 -3.876 10.034 -9.458 1.00 0.00 1CD12571
+ATOM 12343 HA THR 60 -4.952 7.991 -11.155 1.00 0.00 1CD12572
+ATOM 12344 HB THR 60 -2.264 8.021 -11.752 1.00 0.00 1CD12573
+ATOM 12345 HG1 THR 60 -1.871 10.375 -11.550 1.00 0.00 1CD12574
+ATOM 12346 1HG2 THR 60 -4.199 8.458 -13.262 1.00 0.00 1CD12575
+ATOM 12347 2HG2 THR 60 -4.312 10.087 -12.597 1.00 0.00 1CD12576
+ATOM 12348 3HG2 THR 60 -2.878 9.602 -13.502 1.00 0.00 1CD12577
+ATOM 12349 N TYR 61 -4.108 5.799 -10.295 1.00 0.00 1CD12578
+ATOM 12350 CA TYR 61 -3.646 4.511 -9.704 1.00 0.00 1CD12579
+ATOM 12351 C TYR 61 -3.235 3.551 -10.822 1.00 0.00 1CD12580
+ATOM 12352 O TYR 61 -3.965 3.342 -11.771 1.00 0.00 1CD12581
+ATOM 12353 CB TYR 61 -4.788 3.888 -8.900 1.00 0.00 1CD12582
+ATOM 12354 CG TYR 61 -5.895 3.487 -9.843 1.00 0.00 1CD12583
+ATOM 12355 CD1 TYR 61 -6.740 4.464 -10.385 1.00 0.00 1CD12584
+ATOM 12356 CD2 TYR 61 -6.075 2.140 -10.182 1.00 0.00 1CD12585
+ATOM 12357 CE1 TYR 61 -7.763 4.094 -11.263 1.00 0.00 1CD12586
+ATOM 12358 CE2 TYR 61 -7.099 1.771 -11.061 1.00 0.00 1CD12587
+ATOM 12359 CZ TYR 61 -7.943 2.748 -11.602 1.00 0.00 1CD12588
+ATOM 12360 OH TYR 61 -8.952 2.384 -12.469 1.00 0.00 1CD12589
+ATOM 12361 H TYR 61 -4.844 5.805 -10.942 1.00 0.00 1CD12590
+ATOM 12362 HA TYR 61 -2.804 4.693 -9.054 1.00 0.00 1CD12591
+ATOM 12363 1HB TYR 61 -4.425 3.015 -8.376 1.00 0.00 1CD12592
+ATOM 12364 2HB TYR 61 -5.164 4.607 -8.188 1.00 0.00 1CD12593
+ATOM 12365 HD1 TYR 61 -6.601 5.502 -10.123 1.00 0.00 1CD12594
+ATOM 12366 HD2 TYR 61 -5.423 1.387 -9.765 1.00 0.00 1CD12595
+ATOM 12367 HE1 TYR 61 -8.415 4.848 -11.681 1.00 0.00 1CD12596
+ATOM 12368 HE2 TYR 61 -7.239 0.732 -11.323 1.00 0.00 1CD12597
+ATOM 12369 HH TYR 61 -8.881 1.439 -12.626 1.00 0.00 1CD12598
+ATOM 12370 N TYR 62 -2.076 2.961 -10.718 1.00 0.00 1CD12599
+ATOM 12371 CA TYR 62 -1.632 2.012 -11.776 1.00 0.00 1CD12600
+ATOM 12372 C TYR 62 -1.312 0.654 -11.146 1.00 0.00 1CD12601
+ATOM 12373 O TYR 62 -0.345 0.504 -10.426 1.00 0.00 1CD12602
+ATOM 12374 CB TYR 62 -0.384 2.563 -12.470 1.00 0.00 1CD12603
+ATOM 12375 CG TYR 62 0.017 1.641 -13.598 1.00 0.00 1CD12604
+ATOM 12376 CD1 TYR 62 0.810 0.517 -13.337 1.00 0.00 1CD12605
+ATOM 12377 CD2 TYR 62 -0.406 1.911 -14.906 1.00 0.00 1CD12606
+ATOM 12378 CE1 TYR 62 1.181 -0.336 -14.383 1.00 0.00 1CD12607
+ATOM 12379 CE2 TYR 62 -0.035 1.058 -15.952 1.00 0.00 1CD12608
+ATOM 12380 CZ TYR 62 0.759 -0.066 -15.691 1.00 0.00 1CD12609
+ATOM 12381 OH TYR 62 1.125 -0.907 -16.722 1.00 0.00 1CD12610
+ATOM 12382 H TYR 62 -1.500 3.140 -9.943 1.00 0.00 1CD12611
+ATOM 12383 HA TYR 62 -2.422 1.892 -12.503 1.00 0.00 1CD12612
+ATOM 12384 1HB TYR 62 -0.597 3.546 -12.867 1.00 0.00 1CD12613
+ATOM 12385 2HB TYR 62 0.423 2.630 -11.758 1.00 0.00 1CD12614
+ATOM 12386 HD1 TYR 62 1.137 0.308 -12.329 1.00 0.00 1CD12615
+ATOM 12387 HD2 TYR 62 -1.018 2.778 -15.107 1.00 0.00 1CD12616
+ATOM 12388 HE1 TYR 62 1.794 -1.203 -14.183 1.00 0.00 1CD12617
+ATOM 12389 HE2 TYR 62 -0.360 1.267 -16.960 1.00 0.00 1CD12618
+ATOM 12390 HH TYR 62 1.406 -1.741 -16.339 1.00 0.00 1CD12619
+ATOM 12391 N CYS 63 -2.120 -0.338 -11.413 1.00 0.00 1CD12620
+ATOM 12392 CA CYS 63 -1.866 -1.688 -10.835 1.00 0.00 1CD12621
+ATOM 12393 C CYS 63 -0.775 -2.388 -11.646 1.00 0.00 1CD12622
+ATOM 12394 O CYS 63 -0.628 -2.157 -12.830 1.00 0.00 1CD12623
+ATOM 12395 CB CYS 63 -3.151 -2.518 -10.890 1.00 0.00 1CD12624
+ATOM 12396 SG CYS 63 -4.473 -1.654 -10.005 1.00 0.00 1CD12625
+ATOM 12397 H CYS 63 -2.894 -0.194 -11.998 1.00 0.00 1CD12626
+ATOM 12398 HA CYS 63 -1.544 -1.589 -9.808 1.00 0.00 1CD12627
+ATOM 12399 1HB CYS 63 -3.443 -2.661 -11.921 1.00 0.00 1CD12628
+ATOM 12400 2HB CYS 63 -2.979 -3.480 -10.431 1.00 0.00 1CD12629
+ATOM 12401 N CYS 64 -0.008 -3.240 -11.023 1.00 0.00 1CD12630
+ATOM 12402 CA CYS 64 1.070 -3.948 -11.770 1.00 0.00 1CD12631
+ATOM 12403 C CYS 64 1.301 -5.325 -11.146 1.00 0.00 1CD12632
+ATOM 12404 O CYS 64 0.613 -5.725 -10.229 1.00 0.00 1CD12633
+ATOM 12405 CB CYS 64 2.362 -3.130 -11.703 1.00 0.00 1CD12634
+ATOM 12406 SG CYS 64 3.242 -3.261 -13.279 1.00 0.00 1CD12635
+ATOM 12407 H CYS 64 -0.141 -3.415 -10.065 1.00 0.00 1CD12636
+ATOM 12408 HA CYS 64 0.773 -4.067 -12.802 1.00 0.00 1CD12637
+ATOM 12409 1HB CYS 64 2.122 -2.095 -11.509 1.00 0.00 1CD12638
+ATOM 12410 2HB CYS 64 2.987 -3.509 -10.908 1.00 0.00 1CD12639
+ATOM 12411 N LYS 65 2.265 -6.053 -11.638 1.00 0.00 1CD12640
+ATOM 12412 CA LYS 65 2.542 -7.404 -11.075 1.00 0.00 1CD12641
+ATOM 12413 C LYS 65 3.876 -7.913 -11.623 1.00 0.00 1CD12642
+ATOM 12414 O LYS 65 4.093 -9.101 -11.759 1.00 0.00 1CD12643
+ATOM 12415 CB LYS 65 1.421 -8.367 -11.474 1.00 0.00 1CD12644
+ATOM 12416 CG LYS 65 1.078 -8.171 -12.951 1.00 0.00 1CD12645
+ATOM 12417 CD LYS 65 1.182 -9.512 -13.681 1.00 0.00 1CD12646
+ATOM 12418 CE LYS 65 -0.193 -10.182 -13.719 1.00 0.00 1CD12647
+ATOM 12419 NZ LYS 65 -1.107 -9.389 -14.588 1.00 0.00 1CD12648
+ATOM 12420 H LYS 65 2.807 -5.711 -12.378 1.00 0.00 1CD12649
+ATOM 12421 HA LYS 65 2.597 -7.341 -9.997 1.00 0.00 1CD12650
+ATOM 12422 1HB LYS 65 1.746 -9.384 -11.311 1.00 0.00 1CD12651
+ATOM 12423 2HB LYS 65 0.545 -8.169 -10.874 1.00 0.00 1CD12652
+ATOM 12424 1HG LYS 65 0.071 -7.790 -13.041 1.00 0.00 1CD12653
+ATOM 12425 2HG LYS 65 1.770 -7.469 -13.392 1.00 0.00 1CD12654
+ATOM 12426 1HD LYS 65 1.532 -9.347 -14.690 1.00 0.00 1CD12655
+ATOM 12427 2HD LYS 65 1.878 -10.153 -13.159 1.00 0.00 1CD12656
+ATOM 12428 1HE LYS 65 -0.095 -11.182 -14.117 1.00 0.00 1CD12657
+ATOM 12429 2HE LYS 65 -0.597 -10.232 -12.718 1.00 0.00 1CD12658
+ATOM 12430 1HZ LYS 65 -0.629 -8.515 -14.886 1.00 0.00 1CD12659
+ATOM 12431 2HZ LYS 65 -1.363 -9.949 -15.425 1.00 0.00 1CD12660
+ATOM 12432 3HZ LYS 65 -1.968 -9.151 -14.057 1.00 0.00 1CD12661
+ATOM 12433 N LYS 66 4.771 -7.018 -11.942 1.00 0.00 1CD12662
+ATOM 12434 CA LYS 66 6.094 -7.437 -12.485 1.00 0.00 1CD12663
+ATOM 12435 C LYS 66 7.131 -7.426 -11.366 1.00 0.00 1CD12664
+ATOM 12436 O LYS 66 8.298 -7.172 -11.586 1.00 0.00 1CD12665
+ATOM 12437 CB LYS 66 6.523 -6.455 -13.563 1.00 0.00 1CD12666
+ATOM 12438 CG LYS 66 6.600 -7.171 -14.913 1.00 0.00 1CD12667
+ATOM 12439 CD LYS 66 7.088 -6.193 -15.982 1.00 0.00 1CD12668
+ATOM 12440 CE LYS 66 7.340 -6.947 -17.289 1.00 0.00 1CD12669
+ATOM 12441 NZ LYS 66 7.429 -5.974 -18.415 1.00 0.00 1CD12670
+ATOM 12442 H LYS 66 4.571 -6.066 -11.824 1.00 0.00 1CD12671
+ATOM 12443 HA LYS 66 6.018 -8.429 -12.902 1.00 0.00 1CD12672
+ATOM 12444 1HB LYS 66 5.805 -5.653 -13.616 1.00 0.00 1CD12673
+ATOM 12445 2HB LYS 66 7.494 -6.056 -13.311 1.00 0.00 1CD12674
+ATOM 12446 1HG LYS 66 7.289 -8.000 -14.842 1.00 0.00 1CD12675
+ATOM 12447 2HG LYS 66 5.621 -7.538 -15.183 1.00 0.00 1CD12676
+ATOM 12448 1HD LYS 66 6.338 -5.432 -16.143 1.00 0.00 1CD12677
+ATOM 12449 2HD LYS 66 8.006 -5.729 -15.654 1.00 0.00 1CD12678
+ATOM 12450 1HE LYS 66 8.266 -7.497 -17.215 1.00 0.00 1CD12679
+ATOM 12451 2HE LYS 66 6.527 -7.635 -17.470 1.00 0.00 1CD12680
+ATOM 12452 1HZ LYS 66 7.305 -5.010 -18.049 1.00 0.00 1CD12681
+ATOM 12453 2HZ LYS 66 8.360 -6.054 -18.869 1.00 0.00 1CD12682
+ATOM 12454 3HZ LYS 66 6.683 -6.181 -19.110 1.00 0.00 1CD12683
+ATOM 12455 N ASP 67 6.704 -7.690 -10.170 1.00 0.00 1CD12684
+ATOM 12456 CA ASP 67 7.647 -7.694 -9.012 1.00 0.00 1CD12685
+ATOM 12457 C ASP 67 8.183 -6.277 -8.789 1.00 0.00 1CD12686
+ATOM 12458 O ASP 67 9.013 -5.792 -9.532 1.00 0.00 1CD12687
+ATOM 12459 CB ASP 67 8.814 -8.646 -9.295 1.00 0.00 1CD12688
+ATOM 12460 CG ASP 67 8.447 -10.058 -8.836 1.00 0.00 1CD12689
+ATOM 12461 OD1 ASP 67 7.988 -10.195 -7.715 1.00 0.00 1CD12690
+ATOM 12462 OD2 ASP 67 8.633 -10.979 -9.614 1.00 0.00 1CD12691
+ATOM 12463 H ASP 67 5.756 -7.878 -10.033 1.00 0.00 1CD12692
+ATOM 12464 HA ASP 67 7.124 -8.022 -8.124 1.00 0.00 1CD12693
+ATOM 12465 1HB ASP 67 9.024 -8.657 -10.354 1.00 0.00 1CD12694
+ATOM 12466 2HB ASP 67 9.689 -8.311 -8.759 1.00 0.00 1CD12695
+ATOM 12467 N LEU 68 7.710 -5.612 -7.770 1.00 0.00 1CD12696
+ATOM 12468 CA LEU 68 8.183 -4.229 -7.490 1.00 0.00 1CD12697
+ATOM 12469 C LEU 68 7.975 -3.360 -8.732 1.00 0.00 1CD12698
+ATOM 12470 O LEU 68 8.797 -2.531 -9.069 1.00 0.00 1CD12699
+ATOM 12471 CB LEU 68 9.668 -4.265 -7.125 1.00 0.00 1CD12700
+ATOM 12472 CG LEU 68 9.925 -5.436 -6.177 1.00 0.00 1CD12701
+ATOM 12473 CD1 LEU 68 11.363 -5.374 -5.665 1.00 0.00 1CD12702
+ATOM 12474 CD2 LEU 68 8.961 -5.354 -4.991 1.00 0.00 1CD12703
+ATOM 12475 H LEU 68 7.043 -6.023 -7.187 1.00 0.00 1CD12704
+ATOM 12476 HA LEU 68 7.619 -3.821 -6.665 1.00 0.00 1CD12705
+ATOM 12477 1HB LEU 68 10.258 -4.388 -8.022 1.00 0.00 1CD12706
+ATOM 12478 2HB LEU 68 9.941 -3.342 -6.637 1.00 0.00 1CD12707
+ATOM 12479 HG LEU 68 9.772 -6.366 -6.705 1.00 0.00 1CD12708
+ATOM 12480 1HD1 LEU 68 12.035 -5.226 -6.496 1.00 0.00 1CD12709
+ATOM 12481 2HD1 LEU 68 11.462 -4.552 -4.971 1.00 0.00 1CD12710
+ATOM 12482 3HD1 LEU 68 11.607 -6.299 -5.164 1.00 0.00 1CD12711
+ATOM 12483 1HD2 LEU 68 9.102 -4.415 -4.476 1.00 0.00 1CD12712
+ATOM 12484 2HD2 LEU 68 7.945 -5.421 -5.349 1.00 0.00 1CD12713
+ATOM 12485 3HD2 LEU 68 9.157 -6.170 -4.311 1.00 0.00 1CD12714
+ATOM 12486 N CYS 69 6.877 -3.545 -9.412 1.00 0.00 1CD12715
+ATOM 12487 CA CYS 69 6.604 -2.736 -10.631 1.00 0.00 1CD12716
+ATOM 12488 C CYS 69 5.874 -1.449 -10.233 1.00 0.00 1CD12717
+ATOM 12489 O CYS 69 5.660 -0.569 -11.043 1.00 0.00 1CD12718
+ATOM 12490 CB CYS 69 5.732 -3.556 -11.589 1.00 0.00 1CD12719
+ATOM 12491 SG CYS 69 5.070 -2.491 -12.895 1.00 0.00 1CD12720
+ATOM 12492 H CYS 69 6.229 -4.219 -9.118 1.00 0.00 1CD12721
+ATOM 12493 HA CYS 69 7.537 -2.486 -11.116 1.00 0.00 1CD12722
+ATOM 12494 1HB CYS 69 6.329 -4.338 -12.035 1.00 0.00 1CD12723
+ATOM 12495 2HB CYS 69 4.916 -3.999 -11.038 1.00 0.00 1CD12724
+ATOM 12496 N ASN 70 5.489 -1.332 -8.991 1.00 0.00 1CD12725
+ATOM 12497 CA ASN 70 4.773 -0.103 -8.547 1.00 0.00 1CD12726
+ATOM 12498 C ASN 70 5.760 0.861 -7.882 1.00 0.00 1CD12727
+ATOM 12499 O ASN 70 5.812 0.980 -6.675 1.00 0.00 1CD12728
+ATOM 12500 CB ASN 70 3.671 -0.487 -7.555 1.00 0.00 1CD12729
+ATOM 12501 CG ASN 70 4.294 -1.031 -6.268 1.00 0.00 1CD12730
+ATOM 12502 OD1 ASN 70 5.257 -1.772 -6.309 1.00 0.00 1CD12731
+ATOM 12503 ND2 ASN 70 3.777 -0.694 -5.117 1.00 0.00 1CD12732
+ATOM 12504 H ASN 70 5.670 -2.051 -8.351 1.00 0.00 1CD12733
+ATOM 12505 HA ASN 70 4.328 0.379 -9.405 1.00 0.00 1CD12734
+ATOM 12506 1HB ASN 70 3.078 0.386 -7.323 1.00 0.00 1CD12735
+ATOM 12507 2HB ASN 70 3.039 -1.244 -7.994 1.00 0.00 1CD12736
+ATOM 12508 1HD2 ASN 70 4.166 -1.036 -4.286 1.00 0.00 1CD12737
+ATOM 12509 2HD2 ASN 70 2.999 -0.098 -5.086 1.00 0.00 1CD12738
+ATOM 12510 N PHE 71 6.544 1.556 -8.662 1.00 0.00 1CD12739
+ATOM 12511 CA PHE 71 7.520 2.515 -8.074 1.00 0.00 1CD12740
+ATOM 12512 C PHE 71 7.047 3.945 -8.344 1.00 0.00 1CD12741
+ATOM 12513 O PHE 71 5.928 4.169 -8.760 1.00 0.00 1CD12742
+ATOM 12514 CB PHE 71 8.897 2.301 -8.707 1.00 0.00 1CD12743
+ATOM 12515 CG PHE 71 8.731 1.959 -10.168 1.00 0.00 1CD12744
+ATOM 12516 CD1 PHE 71 8.527 2.977 -11.107 1.00 0.00 1CD12745
+ATOM 12517 CD2 PHE 71 8.780 0.624 -10.582 1.00 0.00 1CD12746
+ATOM 12518 CE1 PHE 71 8.371 2.659 -12.460 1.00 0.00 1CD12747
+ATOM 12519 CE2 PHE 71 8.624 0.306 -11.936 1.00 0.00 1CD12748
+ATOM 12520 CZ PHE 71 8.420 1.323 -12.876 1.00 0.00 1CD12749
+ATOM 12521 H PHE 71 6.485 1.450 -9.635 1.00 0.00 1CD12750
+ATOM 12522 HA PHE 71 7.585 2.354 -7.008 1.00 0.00 1CD12751
+ATOM 12523 1HB PHE 71 9.482 3.206 -8.613 1.00 0.00 1CD12752
+ATOM 12524 2HB PHE 71 9.403 1.491 -8.204 1.00 0.00 1CD12753
+ATOM 12525 HD1 PHE 71 8.489 4.007 -10.786 1.00 0.00 1CD12754
+ATOM 12526 HD2 PHE 71 8.938 -0.161 -9.859 1.00 0.00 1CD12755
+ATOM 12527 HE1 PHE 71 8.213 3.444 -13.184 1.00 0.00 1CD12756
+ATOM 12528 HE2 PHE 71 8.662 -0.725 -12.257 1.00 0.00 1CD12757
+ATOM 12529 HZ PHE 71 8.299 1.078 -13.921 1.00 0.00 1CD12758
+ATOM 12530 N ASN 72 7.888 4.916 -8.109 1.00 0.00 1CD12759
+ATOM 12531 CA ASN 72 7.476 6.327 -8.352 1.00 0.00 1CD12760
+ATOM 12532 C ASN 72 7.917 6.760 -9.751 1.00 0.00 1CD12761
+ATOM 12533 O ASN 72 8.612 7.742 -9.919 1.00 0.00 1CD12762
+ATOM 12534 CB ASN 72 8.125 7.236 -7.308 1.00 0.00 1CD12763
+ATOM 12535 CG ASN 72 8.155 6.520 -5.956 1.00 0.00 1CD12764
+ATOM 12536 OD1 ASN 72 7.124 6.157 -5.424 1.00 0.00 1CD12765
+ATOM 12537 ND2 ASN 72 9.302 6.301 -5.373 1.00 0.00 1CD12766
+ATOM 12538 H ASN 72 8.785 4.718 -7.771 1.00 0.00 1CD12767
+ATOM 12539 HA ASN 72 6.402 6.403 -8.277 1.00 0.00 1CD12768
+ATOM 12540 1HB ASN 72 9.134 7.471 -7.614 1.00 0.00 1CD12769
+ATOM 12541 2HB ASN 72 7.553 8.147 -7.217 1.00 0.00 1CD12770
+ATOM 12542 1HD2 ASN 72 9.331 5.844 -4.507 1.00 0.00 1CD12771
+ATOM 12543 2HD2 ASN 72 10.132 6.595 -5.802 1.00 0.00 1CD12772
+ATOM 12544 N GLU 73 7.514 6.035 -10.759 1.00 0.00 1CD12773
+ATOM 12545 CA GLU 73 7.903 6.404 -12.149 1.00 0.00 1CD12774
+ATOM 12546 C GLU 73 7.074 5.580 -13.136 1.00 0.00 1CD12775
+ATOM 12547 O GLU 73 7.556 5.160 -14.169 1.00 0.00 1CD12776
+ATOM 12548 CB GLU 73 9.390 6.113 -12.363 1.00 0.00 1CD12777
+ATOM 12549 CG GLU 73 10.132 7.421 -12.641 1.00 0.00 1CD12778
+ATOM 12550 CD GLU 73 11.221 7.177 -13.688 1.00 0.00 1CD12779
+ATOM 12551 OE1 GLU 73 12.119 6.400 -13.409 1.00 0.00 1CD12780
+ATOM 12552 OE2 GLU 73 11.140 7.774 -14.749 1.00 0.00 1CD12781
+ATOM 12553 H GLU 73 6.951 5.249 -10.601 1.00 0.00 1CD12782
+ATOM 12554 HA GLU 73 7.714 7.455 -12.309 1.00 0.00 1CD12783
+ATOM 12555 1HB GLU 73 9.797 5.648 -11.475 1.00 0.00 1CD12784
+ATOM 12556 2HB GLU 73 9.509 5.447 -13.204 1.00 0.00 1CD12785
+ATOM 12557 1HG GLU 73 9.434 8.158 -13.012 1.00 0.00 1CD12786
+ATOM 12558 2HG GLU 73 10.584 7.781 -11.730 1.00 0.00 1CD12787
+ATOM 12559 N GLN 74 5.830 5.342 -12.822 1.00 0.00 1CD12788
+ATOM 12560 CA GLN 74 4.969 4.540 -13.735 1.00 0.00 1CD12789
+ATOM 12561 C GLN 74 3.934 5.448 -14.404 1.00 0.00 1CD12790
+ATOM 12562 O GLN 74 3.619 5.291 -15.567 1.00 0.00 1CD12791
+ATOM 12563 CB GLN 74 4.245 3.459 -12.930 1.00 0.00 1CD12792
+ATOM 12564 CG GLN 74 5.114 2.204 -12.852 1.00 0.00 1CD12793
+ATOM 12565 CD GLN 74 4.256 0.971 -13.139 1.00 0.00 1CD12794
+ATOM 12566 OE1 GLN 74 3.253 0.749 -12.489 1.00 0.00 1CD12795
+ATOM 12567 NE2 GLN 74 4.609 0.153 -14.093 1.00 0.00 1CD12796
+ATOM 12568 H GLN 74 5.463 5.689 -11.982 1.00 0.00 1CD12797
+ATOM 12569 HA GLN 74 5.583 4.074 -14.491 1.00 0.00 1CD12798
+ATOM 12570 1HB GLN 74 4.049 3.826 -11.932 1.00 0.00 1CD12799
+ATOM 12571 2HB GLN 74 3.310 3.217 -13.413 1.00 0.00 1CD12800
+ATOM 12572 1HG GLN 74 5.908 2.269 -13.581 1.00 0.00 1CD12801
+ATOM 12573 2HG GLN 74 5.540 2.120 -11.863 1.00 0.00 1CD12802
+ATOM 12574 1HE2 GLN 74 4.066 -0.639 -14.286 1.00 0.00 1CD12803
+ATOM 12575 2HE2 GLN 74 5.418 0.332 -14.617 1.00 0.00 1CD12804
+ATOM 12576 N LEU 75 3.396 6.391 -13.680 1.00 0.00 1CD12805
+ATOM 12577 CA LEU 75 2.375 7.296 -14.281 1.00 0.00 1CD12806
+ATOM 12578 C LEU 75 2.767 8.757 -14.047 1.00 0.00 1CD12807
+ATOM 12579 O LEU 75 2.126 9.665 -14.539 1.00 0.00 1CD12808
+ATOM 12580 CB LEU 75 0.992 7.022 -13.664 1.00 0.00 1CD12809
+ATOM 12581 CG LEU 75 1.089 6.839 -12.140 1.00 0.00 1CD12810
+ATOM 12582 CD1 LEU 75 1.763 5.505 -11.813 1.00 0.00 1CD12811
+ATOM 12583 CD2 LEU 75 1.892 7.987 -11.522 1.00 0.00 1CD12812
+ATOM 12584 H LEU 75 3.658 6.498 -12.743 1.00 0.00 1CD12813
+ATOM 12585 HA LEU 75 2.329 7.112 -15.345 1.00 0.00 1CD12814
+ATOM 12586 1HB LEU 75 0.339 7.853 -13.880 1.00 0.00 1CD12815
+ATOM 12587 2HB LEU 75 0.580 6.125 -14.103 1.00 0.00 1CD12816
+ATOM 12588 HG LEU 75 0.091 6.839 -11.724 1.00 0.00 1CD12817
+ATOM 12589 1HD1 LEU 75 1.988 4.981 -12.730 1.00 0.00 1CD12818
+ATOM 12590 2HD1 LEU 75 2.680 5.689 -11.271 1.00 0.00 1CD12819
+ATOM 12591 3HD1 LEU 75 1.101 4.905 -11.208 1.00 0.00 1CD12820
+ATOM 12592 1HD2 LEU 75 1.614 8.916 -11.996 1.00 0.00 1CD12821
+ATOM 12593 2HD2 LEU 75 1.681 8.045 -10.464 1.00 0.00 1CD12822
+ATOM 12594 3HD2 LEU 75 2.947 7.811 -11.668 1.00 0.00 1CD12823
+ATOM 12595 N GLU 76 3.812 8.997 -13.302 1.00 0.00 1CD12824
+ATOM 12596 CA GLU 76 4.232 10.404 -13.045 1.00 0.00 1CD12825
+ATOM 12597 C GLU 76 5.345 10.791 -14.021 1.00 0.00 1CD12826
+ATOM 12598 O GLU 76 6.492 10.434 -13.841 1.00 0.00 1CD12827
+ATOM 12599 CB GLU 76 4.743 10.536 -11.608 1.00 0.00 1CD12828
+ATOM 12600 CG GLU 76 4.822 12.017 -11.230 1.00 0.00 1CD12829
+ATOM 12601 CD GLU 76 5.387 12.156 -9.815 1.00 0.00 1CD12830
+ATOM 12602 OE1 GLU 76 6.294 11.411 -9.484 1.00 0.00 1CD12831
+ATOM 12603 OE2 GLU 76 4.903 13.006 -9.086 1.00 0.00 1CD12832
+ATOM 12604 H GLU 76 4.318 8.254 -12.913 1.00 0.00 1CD12833
+ATOM 12605 HA GLU 76 3.386 11.062 -13.187 1.00 0.00 1CD12834
+ATOM 12606 1HB GLU 76 4.067 10.027 -10.938 1.00 0.00 1CD12835
+ATOM 12607 2HB GLU 76 5.726 10.094 -11.534 1.00 0.00 1CD12836
+ATOM 12608 1HG GLU 76 5.466 12.532 -11.928 1.00 0.00 1CD12837
+ATOM 12609 2HG GLU 76 3.834 12.450 -11.265 1.00 0.00 1CD12838
+ATOM 12610 N ASN 77 5.014 11.518 -15.053 1.00 0.00 1CD12839
+ATOM 12611 CA ASN 77 6.053 11.927 -16.039 1.00 0.00 1CD12840
+ATOM 12612 C ASN 77 6.662 13.264 -15.612 1.00 0.00 1CD12841
+ATOM 12613 O ASN 77 7.725 13.244 -15.014 1.00 0.00 1CD12842
+ATOM 12614 CB ASN 77 5.413 12.078 -17.422 1.00 0.00 1CD12843
+ATOM 12615 CG ASN 77 6.384 11.571 -18.490 1.00 0.00 1CD12844
+ATOM 12616 OD1 ASN 77 7.252 10.769 -18.208 1.00 0.00 1CD12845
+ATOM 12617 ND2 ASN 77 6.274 12.007 -19.715 1.00 0.00 1CD12846
+ATOM 12618 OXT ASN 77 6.056 14.286 -15.890 1.00 0.00 1CD12847
+ATOM 12619 H ASN 77 4.082 11.795 -15.179 1.00 0.00 1CD12848
+ATOM 12620 HA ASN 77 6.827 11.175 -16.080 1.00 0.00 1CD12849
+ATOM 12621 1HB ASN 77 4.501 11.500 -17.459 1.00 0.00 1CD12850
+ATOM 12622 2HB ASN 77 5.190 13.117 -17.604 1.00 0.00 1CD12851
+ATOM 12623 1HD2 ASN 77 6.892 11.689 -20.405 1.00 0.00 1CD12852
+ATOM 12624 2HD2 ASN 77 5.574 12.654 -19.944 1.00 0.00 1CD12853
+TER 12625 ASN 77 1CD12854
+HETATM12626 C1 NAG 78 10.175 -10.563 0.966 1.00 0.00 1 1CD12855
+HETATM12627 C2 NAG 78 10.799 -9.173 0.944 1.00 0.00 1 1CD12856
+HETATM12628 C3 NAG 78 12.016 -9.172 1.853 1.00 0.00 1 1CD12857
+HETATM12629 C4 NAG 78 11.565 -9.550 3.251 1.00 0.00 1 1CD12858
+HETATM12630 C5 NAG 78 10.919 -10.932 3.205 1.00 0.00 1 1CD12859
+HETATM12631 C6 NAG 78 10.421 -11.397 4.558 1.00 0.00 1 1CD12860
+HETATM12632 C7 NAG 78 10.368 -8.121 -1.154 1.00 0.00 1 1CD12861
+HETATM12633 C8 NAG 78 10.828 -7.777 -2.561 1.00 0.00 1 1CD12862
+HETATM12634 N2 NAG 78 11.182 -8.816 -0.407 1.00 0.00 1 1CD12863
+HETATM12635 O3 NAG 78 12.617 -7.886 1.860 1.00 0.00 1 1CD12864
+HETATM12636 O4 NAG 78 12.697 -9.560 4.144 1.00 0.00 1 1CD12865
+HETATM12637 O5 NAG 78 9.787 -10.919 2.302 1.00 0.00 1 1CD12866
+HETATM12638 O6 NAG 78 11.509 -11.975 5.309 1.00 0.00 1 1CD12867
+HETATM12639 O7 NAG 78 9.282 -7.768 -0.738 1.00 0.00 1 1CD12868
+HETATM12640 H1 NAG 78 10.915 -11.308 0.633 1.00 0.00 1 1CD12869
+HETATM12641 H2 NAG 78 10.068 -8.447 1.326 1.00 0.00 1 1CD12870
+HETATM12642 H3 NAG 78 12.732 -9.924 1.493 1.00 0.00 1 1CD12871
+HETATM12643 H4 NAG 78 10.819 -8.820 3.596 1.00 0.00 1 1CD12872
+HETATM12644 H5 NAG 78 11.647 -11.658 2.817 1.00 0.00 1 1CD12873
+HETATM12645 1H6 NAG 78 9.621 -12.136 4.411 1.00 0.00 1 1CD12874
+HETATM12646 2H6 NAG 78 10.001 -10.539 5.099 1.00 0.00 1 1CD12875
+HETATM12647 1H8 NAG 78 11.299 -6.784 -2.575 1.00 0.00 1 1CD12876
+HETATM12648 2H8 NAG 78 9.973 -7.769 -3.251 1.00 0.00 1 1CD12877
+HETATM12649 3H8 NAG 78 11.558 -8.518 -2.916 1.00 0.00 1 1CD12878
+HETATM12650 HN2 NAG 78 12.051 -9.097 -0.762 1.00 0.00 1 1CD12879
+HETATM12651 HO3 NAG 78 12.455 -7.454 1.019 1.00 0.00 1 1CD12880
+HETATM12652 C1 NAG 79 12.526 -8.906 5.353 1.00 0.00 1CD12881
+HETATM12653 C2 NAG 79 13.883 -8.570 5.959 1.00 0.00 1CD12882
+HETATM12654 C3 NAG 79 13.661 -7.829 7.265 1.00 0.00 1CD12883
+HETATM12655 C4 NAG 79 12.864 -6.571 6.968 1.00 0.00 1CD12884
+HETATM12656 C5 NAG 79 11.534 -6.967 6.333 1.00 0.00 1CD12885
+HETATM12657 C6 NAG 79 10.669 -5.774 5.982 1.00 0.00 1CD12886
+HETATM12658 C7 NAG 79 15.950 -9.752 6.119 1.00 0.00 1CD12887
+HETATM12659 C8 NAG 79 16.696 -11.051 6.377 1.00 0.00 1CD12888
+HETATM12660 N2 NAG 79 14.647 -9.780 6.193 1.00 0.00 1CD12889
+HETATM12661 O3 NAG 79 14.910 -7.494 7.855 1.00 0.00 1CD12890
+HETATM12662 O4 NAG 79 12.637 -5.847 8.168 1.00 0.00 1CD12891
+HETATM12663 O5 NAG 79 11.770 -7.708 5.113 1.00 0.00 1CD12892
+HETATM12664 O6 NAG 79 9.513 -6.170 5.258 1.00 0.00 1CD12893
+HETATM12665 O7 NAG 79 16.542 -8.724 5.856 1.00 0.00 1CD12894
+HETATM12666 H1 NAG 79 11.946 -9.537 6.045 1.00 0.00 1CD12895
+HETATM12667 H2 NAG 79 14.430 -7.914 5.267 1.00 0.00 1CD12896
+HETATM12668 H3 NAG 79 13.081 -8.467 7.945 1.00 0.00 1CD12897
+HETATM12669 H4 NAG 79 13.429 -5.952 6.256 1.00 0.00 1CD12898
+HETATM12670 H5 NAG 79 10.984 -7.624 7.023 1.00 0.00 1CD12899
+HETATM12671 1H6 NAG 79 11.264 -5.069 5.384 1.00 0.00 1CD12900
+HETATM12672 2H6 NAG 79 10.375 -5.264 6.911 1.00 0.00 1CD12901
+HETATM12673 1H8 NAG 79 16.340 -11.517 7.306 1.00 0.00 1CD12902
+HETATM12674 2H8 NAG 79 17.775 -10.859 6.471 1.00 0.00 1CD12903
+HETATM12675 3H8 NAG 79 16.537 -11.753 5.547 1.00 0.00 1CD12904
+HETATM12676 HN2 NAG 79 14.186 -10.617 6.408 1.00 0.00 1CD12905
+HETATM12677 HO4 NAG 79 12.350 -4.956 7.954 1.00 0.00 1CD12906
+HETATM12678 HO3 NAG 79 15.336 -8.294 8.173 1.00 0.00 1CD12907
+HETATM12679 HO6 NAG 79 8.791 -5.571 5.462 1.00 0.00 1CD12908
+HETATM12680 C1 FUC 80 11.224 -13.277 5.738 1.00 0.00 1CD12909
+HETATM12681 C2 FUC 80 12.301 -14.219 5.213 1.00 0.00 1CD12910
+HETATM12682 C3 FUC 80 13.637 -13.830 5.825 1.00 0.00 1CD12911
+HETATM12683 C4 FUC 80 13.511 -13.930 7.336 1.00 0.00 1CD12912
+HETATM12684 C5 FUC 80 12.403 -12.991 7.802 1.00 0.00 1CD12913
+HETATM12685 C6 FUC 80 12.178 -13.034 9.301 1.00 0.00 1CD12914
+HETATM12686 O2 FUC 80 12.371 -14.134 3.796 1.00 0.00 1CD12915
+HETATM12687 O3 FUC 80 14.660 -14.696 5.355 1.00 0.00 1CD12916
+HETATM12688 O4 FUC 80 13.209 -15.266 7.710 1.00 0.00 1CD12917
+HETATM12689 O5 FUC 80 11.161 -13.353 7.161 1.00 0.00 1CD12918
+HETATM12690 H1 FUC 80 10.239 -13.585 5.354 1.00 0.00 1CD12919
+HETATM12691 H2 FUC 80 12.055 -15.247 5.518 1.00 0.00 1CD12920
+HETATM12692 H3 FUC 80 13.865 -12.790 5.553 1.00 0.00 1CD12921
+HETATM12693 H4 FUC 80 14.460 -13.617 7.794 1.00 0.00 1CD12922
+HETATM12694 H5 FUC 80 12.649 -11.963 7.501 1.00 0.00 1CD12923
+HETATM12695 1H6 FUC 80 12.853 -12.323 9.801 1.00 0.00 1CD12924
+HETATM12696 2H6 FUC 80 12.379 -14.045 9.681 1.00 0.00 1CD12925
+HETATM12697 3H6 FUC 80 11.139 -12.763 9.531 1.00 0.00 1CD12926
+HETATM12698 HO2 FUC 80 11.592 -13.680 3.465 1.00 0.00 1CD12927
+HETATM12699 HO3 FUC 80 14.794 -14.548 4.415 1.00 0.00 1CD12928
+HETATM12700 HO4 FUC 80 13.771 -15.528 8.442 1.00 0.00 1CD12929
+ENDMDL 1CD12930
+CONECT 44 43 348 1CD12931
+CONECT 89 88 177 1CD12932
+CONECT 177 89 176 1CD12933
+CONECT 251 249 1196 1CD12934
+CONECT 262 261 558 1CD12935
+CONECT 348 44 347 1CD12936
+CONECT 558 262 557 1CD12937
+CONECT 666 665 966 1CD12938
+CONECT 966 666 965 1CD12939
+CONECT 976 975 1061 1CD12940
+CONECT 1061 976 1060 1CD12941
+CONECT 1196 251 1197 1207 1210 1CD12942
+CONECT 1197 1196 1198 1204 1211 1CD12943
+CONECT 1198 1197 1199 1205 1212 1CD12944
+CONECT 1199 1198 1200 1206 1213 1CD12945
+CONECT 1200 1199 1201 1207 1214 1CD12946
+CONECT 1201 1200 1208 1215 1216 1CD12947
+CONECT 1202 1203 1204 1209 1CD12948
+CONECT 1203 1202 1217 1218 1219 1CD12949
+CONECT 1204 1197 1202 1220 1CD12950
+CONECT 1205 1198 1221 1CD12951
+CONECT 1206 1199 1222 1CD12952
+CONECT 1207 1196 1200 1CD12953
+CONECT 1208 1201 1250 1CD12954
+CONECT 1209 1202 1CD12955
+CONECT 1210 1196 1CD12956
+CONECT 1211 1197 1CD12957
+CONECT 1212 1198 1CD12958
+CONECT 1213 1199 1CD12959
+CONECT 1214 1200 1CD12960
+CONECT 1215 1201 1CD12961
+CONECT 1216 1201 1CD12962
+CONECT 1217 1203 1CD12963
+CONECT 1218 1203 1CD12964
+CONECT 1219 1203 1CD12965
+CONECT 1220 1204 1CD12966
+CONECT 1221 1205 1CD12967
+CONECT 1222 1206 1223 1233 1236 1CD12968
+CONECT 1223 1222 1224 1230 1237 1CD12969
+CONECT 1224 1223 1225 1231 1238 1CD12970
+CONECT 1225 1224 1226 1232 1239 1CD12971
+CONECT 1226 1225 1227 1233 1240 1CD12972
+CONECT 1227 1226 1234 1241 1242 1CD12973
+CONECT 1228 1229 1230 1235 1CD12974
+CONECT 1229 1228 1243 1244 1245 1CD12975
+CONECT 1230 1223 1228 1246 1CD12976
+CONECT 1231 1224 1248 1CD12977
+CONECT 1232 1225 1247 1CD12978
+CONECT 1233 1222 1226 1CD12979
+CONECT 1234 1227 1249 1CD12980
+CONECT 1235 1228 1CD12981
+CONECT 1236 1222 1CD12982
+CONECT 1237 1223 1CD12983
+CONECT 1238 1224 1CD12984
+CONECT 1239 1225 1CD12985
+CONECT 1240 1226 1CD12986
+CONECT 1241 1227 1CD12987
+CONECT 1242 1227 1CD12988
+CONECT 1243 1229 1CD12989
+CONECT 1244 1229 1CD12990
+CONECT 1245 1229 1CD12991
+CONECT 1246 1230 1CD12992
+CONECT 1247 1232 1CD12993
+CONECT 1248 1231 1CD12994
+CONECT 1249 1234 1CD12995
+CONECT 1250 1208 1251 1259 1260 1CD12996
+CONECT 1251 1250 1252 1256 1261 1CD12997
+CONECT 1252 1251 1253 1257 1262 1CD12998
+CONECT 1253 1252 1254 1258 1263 1CD12999
+CONECT 1254 1253 1255 1259 1264 1CD13000
+CONECT 1255 1254 1265 1CD13001
+CONECT 1256 1251 1268 1CD13002
+CONECT 1257 1252 1269 1CD13003
+CONECT 1258 1253 1270 1CD13004
+CONECT 1259 1250 1254 1CD13005
+CONECT 1260 1250 1CD13006
+CONECT 1261 1251 1CD13007
+CONECT 1262 1252 1CD13008
+CONECT 1263 1253 1CD13009
+CONECT 1264 1254 1CD13010
+CONECT 1265 1255 1CD13011
+CONECT 1266 1255 1CD13012
+CONECT 1267 1255 1CD13013
+CONECT 1268 1256 1CD13014
+CONECT 1269 1257 1CD13015
+CONECT 1270 1258 1CD13016
+CONECT 1314 1313 1618 1CD13017
+CONECT 1359 1358 1447 1CD13018
+CONECT 1447 1359 1446 1CD13019
+CONECT 1521 1519 2466 1CD13020
+CONECT 1532 1531 1828 1CD13021
+CONECT 1618 1314 1617 1CD13022
+CONECT 1828 1532 1827 1CD13023
+CONECT 1936 1935 2236 1CD13024
+CONECT 2236 1936 2235 1CD13025
+CONECT 2246 2245 2331 1CD13026
+CONECT 2331 2246 2330 1CD13027
+CONECT 2466 1521 2467 2477 2480 1CD13028
+CONECT 2467 2466 2468 2474 2481 1CD13029
+CONECT 2468 2467 2469 2475 2482 1CD13030
+CONECT 2469 2468 2470 2476 2483 1CD13031
+CONECT 2470 2469 2471 2477 2484 1CD13032
+CONECT 2471 2470 2478 2485 2486 1CD13033
+CONECT 2472 2473 2474 2479 1CD13034
+CONECT 2473 2472 2487 2488 2489 1CD13035
+CONECT 2474 2467 2472 2490 1CD13036
+CONECT 2475 2468 2491 1CD13037
+CONECT 2476 2469 2492 1CD13038
+CONECT 2477 2466 2470 1CD13039
+CONECT 2478 2471 2520 1CD13040
+CONECT 2479 2472 1CD13041
+CONECT 2480 2466 1CD13042
+CONECT 2481 2467 1CD13043
+CONECT 2482 2468 1CD13044
+CONECT 2483 2469 1CD13045
+CONECT 2484 2470 1CD13046
+CONECT 2485 2471 1CD13047
+CONECT 2486 2471 1CD13048
+CONECT 2487 2473 1CD13049
+CONECT 2488 2473 1CD13050
+CONECT 2489 2473 1CD13051
+CONECT 2490 2474 1CD13052
+CONECT 2491 2475 1CD13053
+CONECT 2492 2476 2493 2503 2506 1CD13054
+CONECT 2493 2492 2494 2500 2507 1CD13055
+CONECT 2494 2493 2495 2501 2508 1CD13056
+CONECT 2495 2494 2496 2502 2509 1CD13057
+CONECT 2496 2495 2497 2503 2510 1CD13058
+CONECT 2497 2496 2504 2511 2512 1CD13059
+CONECT 2498 2499 2500 2505 1CD13060
+CONECT 2499 2498 2513 2514 2515 1CD13061
+CONECT 2500 2493 2498 2516 1CD13062
+CONECT 2501 2494 2518 1CD13063
+CONECT 2502 2495 2517 1CD13064
+CONECT 2503 2492 2496 1CD13065
+CONECT 2504 2497 2519 1CD13066
+CONECT 2505 2498 1CD13067
+CONECT 2506 2492 1CD13068
+CONECT 2507 2493 1CD13069
+CONECT 2508 2494 1CD13070
+CONECT 2509 2495 1CD13071
+CONECT 2510 2496 1CD13072
+CONECT 2511 2497 1CD13073
+CONECT 2512 2497 1CD13074
+CONECT 2513 2499 1CD13075
+CONECT 2514 2499 1CD13076
+CONECT 2515 2499 1CD13077
+CONECT 2516 2500 1CD13078
+CONECT 2517 2502 1CD13079
+CONECT 2518 2501 1CD13080
+CONECT 2519 2504 1CD13081
+CONECT 2520 2478 2521 2529 2530 1CD13082
+CONECT 2521 2520 2522 2526 2531 1CD13083
+CONECT 2522 2521 2523 2527 2532 1CD13084
+CONECT 2523 2522 2524 2528 2533 1CD13085
+CONECT 2524 2523 2525 2529 2534 1CD13086
+CONECT 2525 2524 2535 1CD13087
+CONECT 2526 2521 2538 1CD13088
+CONECT 2527 2522 2539 1CD13089
+CONECT 2528 2523 2540 1CD13090
+CONECT 2529 2520 2524 1CD13091
+CONECT 2530 2520 1CD13092
+CONECT 2531 2521 1CD13093
+CONECT 2532 2522 1CD13094
+CONECT 2533 2523 1CD13095
+CONECT 2534 2524 1CD13096
+CONECT 2535 2525 1CD13097
+CONECT 2536 2525 1CD13098
+CONECT 2537 2525 1CD13099
+CONECT 2538 2526 1CD13100
+CONECT 2539 2527 1CD13101
+CONECT 2540 2528 1CD13102
+CONECT 2584 2583 2888 1CD13103
+CONECT 2629 2628 2717 1CD13104
+CONECT 2717 2629 2716 1CD13105
+CONECT 2791 2789 3736 1CD13106
+CONECT 2802 2801 3098 1CD13107
+CONECT 2888 2584 2887 1CD13108
+CONECT 3098 2802 3097 1CD13109
+CONECT 3206 3205 3506 1CD13110
+CONECT 3506 3206 3505 1CD13111
+CONECT 3516 3515 3601 1CD13112
+CONECT 3601 3516 3600 1CD13113
+CONECT 3736 2791 3737 3747 3750 1CD13114
+CONECT 3737 3736 3738 3744 3751 1CD13115
+CONECT 3738 3737 3739 3745 3752 1CD13116
+CONECT 3739 3738 3740 3746 3753 1CD13117
+CONECT 3740 3739 3741 3747 3754 1CD13118
+CONECT 3741 3740 3748 3755 3756 1CD13119
+CONECT 3742 3743 3744 3749 1CD13120
+CONECT 3743 3742 3757 3758 3759 1CD13121
+CONECT 3744 3737 3742 3760 1CD13122
+CONECT 3745 3738 3761 1CD13123
+CONECT 3746 3739 3762 1CD13124
+CONECT 3747 3736 3740 1CD13125
+CONECT 3748 3741 3790 1CD13126
+CONECT 3749 3742 1CD13127
+CONECT 3750 3736 1CD13128
+CONECT 3751 3737 1CD13129
+CONECT 3752 3738 1CD13130
+CONECT 3753 3739 1CD13131
+CONECT 3754 3740 1CD13132
+CONECT 3755 3741 1CD13133
+CONECT 3756 3741 1CD13134
+CONECT 3757 3743 1CD13135
+CONECT 3758 3743 1CD13136
+CONECT 3759 3743 1CD13137
+CONECT 3760 3744 1CD13138
+CONECT 3761 3745 1CD13139
+CONECT 3762 3746 3763 3773 3776 1CD13140
+CONECT 3763 3762 3764 3770 3777 1CD13141
+CONECT 3764 3763 3765 3771 3778 1CD13142
+CONECT 3765 3764 3766 3772 3779 1CD13143
+CONECT 3766 3765 3767 3773 3780 1CD13144
+CONECT 3767 3766 3774 3781 3782 1CD13145
+CONECT 3768 3769 3770 3775 1CD13146
+CONECT 3769 3768 3783 3784 3785 1CD13147
+CONECT 3770 3763 3768 3786 1CD13148
+CONECT 3771 3764 3788 1CD13149
+CONECT 3772 3765 3787 1CD13150
+CONECT 3773 3762 3766 1CD13151
+CONECT 3774 3767 3789 1CD13152
+CONECT 3775 3768 1CD13153
+CONECT 3776 3762 1CD13154
+CONECT 3777 3763 1CD13155
+CONECT 3778 3764 1CD13156
+CONECT 3779 3765 1CD13157
+CONECT 3780 3766 1CD13158
+CONECT 3781 3767 1CD13159
+CONECT 3782 3767 1CD13160
+CONECT 3783 3769 1CD13161
+CONECT 3784 3769 1CD13162
+CONECT 3785 3769 1CD13163
+CONECT 3786 3770 1CD13164
+CONECT 3787 3772 1CD13165
+CONECT 3788 3771 1CD13166
+CONECT 3789 3774 1CD13167
+CONECT 3790 3748 3791 3799 3800 1CD13168
+CONECT 3791 3790 3792 3796 3801 1CD13169
+CONECT 3792 3791 3793 3797 3802 1CD13170
+CONECT 3793 3792 3794 3798 3803 1CD13171
+CONECT 3794 3793 3795 3799 3804 1CD13172
+CONECT 3795 3794 3805 1CD13173
+CONECT 3796 3791 3808 1CD13174
+CONECT 3797 3792 3809 1CD13175
+CONECT 3798 3793 3810 1CD13176
+CONECT 3799 3790 3794 1CD13177
+CONECT 3800 3790 1CD13178
+CONECT 3801 3791 1CD13179
+CONECT 3802 3792 1CD13180
+CONECT 3803 3793 1CD13181
+CONECT 3804 3794 1CD13182
+CONECT 3805 3795 1CD13183
+CONECT 3806 3795 1CD13184
+CONECT 3807 3795 1CD13185
+CONECT 3808 3796 1CD13186
+CONECT 3809 3797 1CD13187
+CONECT 3810 3798 1CD13188
+CONECT 3854 3853 4158 1CD13189
+CONECT 3899 3898 3987 1CD13190
+CONECT 3987 3899 3986 1CD13191
+CONECT 4061 4059 5006 1CD13192
+CONECT 4072 4071 4368 1CD13193
+CONECT 4158 3854 4157 1CD13194
+CONECT 4368 4072 4367 1CD13195
+CONECT 4476 4475 4776 1CD13196
+CONECT 4776 4476 4775 1CD13197
+CONECT 4786 4785 4871 1CD13198
+CONECT 4871 4786 4870 1CD13199
+CONECT 5006 4061 5007 5017 5020 1CD13200
+CONECT 5007 5006 5008 5014 5021 1CD13201
+CONECT 5008 5007 5009 5015 5022 1CD13202
+CONECT 5009 5008 5010 5016 5023 1CD13203
+CONECT 5010 5009 5011 5017 5024 1CD13204
+CONECT 5011 5010 5018 5025 5026 1CD13205
+CONECT 5012 5013 5014 5019 1CD13206
+CONECT 5013 5012 5027 5028 5029 1CD13207
+CONECT 5014 5007 5012 5030 1CD13208
+CONECT 5015 5008 5031 1CD13209
+CONECT 5016 5009 5032 1CD13210
+CONECT 5017 5006 5010 1CD13211
+CONECT 5018 5011 5060 1CD13212
+CONECT 5019 5012 1CD13213
+CONECT 5020 5006 1CD13214
+CONECT 5021 5007 1CD13215
+CONECT 5022 5008 1CD13216
+CONECT 5023 5009 1CD13217
+CONECT 5024 5010 1CD13218
+CONECT 5025 5011 1CD13219
+CONECT 5026 5011 1CD13220
+CONECT 5027 5013 1CD13221
+CONECT 5028 5013 1CD13222
+CONECT 5029 5013 1CD13223
+CONECT 5030 5014 1CD13224
+CONECT 5031 5015 1CD13225
+CONECT 5032 5016 5033 5043 5046 1CD13226
+CONECT 5033 5032 5034 5040 5047 1CD13227
+CONECT 5034 5033 5035 5041 5048 1CD13228
+CONECT 5035 5034 5036 5042 5049 1CD13229
+CONECT 5036 5035 5037 5043 5050 1CD13230
+CONECT 5037 5036 5044 5051 5052 1CD13231
+CONECT 5038 5039 5040 5045 1CD13232
+CONECT 5039 5038 5053 5054 5055 1CD13233
+CONECT 5040 5033 5038 5056 1CD13234
+CONECT 5041 5034 5058 1CD13235
+CONECT 5042 5035 5057 1CD13236
+CONECT 5043 5032 5036 1CD13237
+CONECT 5044 5037 5059 1CD13238
+CONECT 5045 5038 1CD13239
+CONECT 5046 5032 1CD13240
+CONECT 5047 5033 1CD13241
+CONECT 5048 5034 1CD13242
+CONECT 5049 5035 1CD13243
+CONECT 5050 5036 1CD13244
+CONECT 5051 5037 1CD13245
+CONECT 5052 5037 1CD13246
+CONECT 5053 5039 1CD13247
+CONECT 5054 5039 1CD13248
+CONECT 5055 5039 1CD13249
+CONECT 5056 5040 1CD13250
+CONECT 5057 5042 1CD13251
+CONECT 5058 5041 1CD13252
+CONECT 5059 5044 1CD13253
+CONECT 5060 5018 5061 5069 5070 1CD13254
+CONECT 5061 5060 5062 5066 5071 1CD13255
+CONECT 5062 5061 5063 5067 5072 1CD13256
+CONECT 5063 5062 5064 5068 5073 1CD13257
+CONECT 5064 5063 5065 5069 5074 1CD13258
+CONECT 5065 5064 5075 1CD13259
+CONECT 5066 5061 5078 1CD13260
+CONECT 5067 5062 5079 1CD13261
+CONECT 5068 5063 5080 1CD13262
+CONECT 5069 5060 5064 1CD13263
+CONECT 5070 5060 1CD13264
+CONECT 5071 5061 1CD13265
+CONECT 5072 5062 1CD13266
+CONECT 5073 5063 1CD13267
+CONECT 5074 5064 1CD13268
+CONECT 5075 5065 1CD13269
+CONECT 5076 5065 1CD13270
+CONECT 5077 5065 1CD13271
+CONECT 5078 5066 1CD13272
+CONECT 5079 5067 1CD13273
+CONECT 5080 5068 1CD13274
+CONECT 5124 5123 5428 1CD13275
+CONECT 5169 5168 5257 1CD13276
+CONECT 5257 5169 5256 1CD13277
+CONECT 5331 5329 6276 1CD13278
+CONECT 5342 5341 5638 1CD13279
+CONECT 5428 5124 5427 1CD13280
+CONECT 5638 5342 5637 1CD13281
+CONECT 5746 5745 6046 1CD13282
+CONECT 6046 5746 6045 1CD13283
+CONECT 6056 6055 6141 1CD13284
+CONECT 6141 6056 6140 1CD13285
+CONECT 6276 5331 6277 6287 6290 1CD13286
+CONECT 6277 6276 6278 6284 6291 1CD13287
+CONECT 6278 6277 6279 6285 6292 1CD13288
+CONECT 6279 6278 6280 6286 6293 1CD13289
+CONECT 6280 6279 6281 6287 6294 1CD13290
+CONECT 6281 6280 6288 6295 6296 1CD13291
+CONECT 6282 6283 6284 6289 1CD13292
+CONECT 6283 6282 6297 6298 6299 1CD13293
+CONECT 6284 6277 6282 6300 1CD13294
+CONECT 6285 6278 6301 1CD13295
+CONECT 6286 6279 6302 1CD13296
+CONECT 6287 6276 6280 1CD13297
+CONECT 6288 6281 6330 1CD13298
+CONECT 6289 6282 1CD13299
+CONECT 6290 6276 1CD13300
+CONECT 6291 6277 1CD13301
+CONECT 6292 6278 1CD13302
+CONECT 6293 6279 1CD13303
+CONECT 6294 6280 1CD13304
+CONECT 6295 6281 1CD13305
+CONECT 6296 6281 1CD13306
+CONECT 6297 6283 1CD13307
+CONECT 6298 6283 1CD13308
+CONECT 6299 6283 1CD13309
+CONECT 6300 6284 1CD13310
+CONECT 6301 6285 1CD13311
+CONECT 6302 6286 6303 6313 6316 1CD13312
+CONECT 6303 6302 6304 6310 6317 1CD13313
+CONECT 6304 6303 6305 6311 6318 1CD13314
+CONECT 6305 6304 6306 6312 6319 1CD13315
+CONECT 6306 6305 6307 6313 6320 1CD13316
+CONECT 6307 6306 6314 6321 6322 1CD13317
+CONECT 6308 6309 6310 6315 1CD13318
+CONECT 6309 6308 6323 6324 6325 1CD13319
+CONECT 6310 6303 6308 6326 1CD13320
+CONECT 6311 6304 6328 1CD13321
+CONECT 6312 6305 6327 1CD13322
+CONECT 6313 6302 6306 1CD13323
+CONECT 6314 6307 6329 1CD13324
+CONECT 6315 6308 1CD13325
+CONECT 6316 6302 1CD13326
+CONECT 6317 6303 1CD13327
+CONECT 6318 6304 1CD13328
+CONECT 6319 6305 1CD13329
+CONECT 6320 6306 1CD13330
+CONECT 6321 6307 1CD13331
+CONECT 6322 6307 1CD13332
+CONECT 6323 6309 1CD13333
+CONECT 6324 6309 1CD13334
+CONECT 6325 6309 1CD13335
+CONECT 6326 6310 1CD13336
+CONECT 6327 6312 1CD13337
+CONECT 6328 6311 1CD13338
+CONECT 6329 6314 1CD13339
+CONECT 6330 6288 6331 6339 6340 1CD13340
+CONECT 6331 6330 6332 6336 6341 1CD13341
+CONECT 6332 6331 6333 6337 6342 1CD13342
+CONECT 6333 6332 6334 6338 6343 1CD13343
+CONECT 6334 6333 6335 6339 6344 1CD13344
+CONECT 6335 6334 6345 1CD13345
+CONECT 6336 6331 6348 1CD13346
+CONECT 6337 6332 6349 1CD13347
+CONECT 6338 6333 6350 1CD13348
+CONECT 6339 6330 6334 1CD13349
+CONECT 6340 6330 1CD13350
+CONECT 6341 6331 1CD13351
+CONECT 6342 6332 1CD13352
+CONECT 6343 6333 1CD13353
+CONECT 6344 6334 1CD13354
+CONECT 6345 6335 1CD13355
+CONECT 6346 6335 1CD13356
+CONECT 6347 6335 1CD13357
+CONECT 6348 6336 1CD13358
+CONECT 6349 6337 1CD13359
+CONECT 6350 6338 1CD13360
+CONECT 6394 6393 6698 1CD13361
+CONECT 6439 6438 6527 1CD13362
+CONECT 6527 6439 6526 1CD13363
+CONECT 6601 6599 7546 1CD13364
+CONECT 6612 6611 6908 1CD13365
+CONECT 6698 6394 6697 1CD13366
+CONECT 6908 6612 6907 1CD13367
+CONECT 7016 7015 7316 1CD13368
+CONECT 7316 7016 7315 1CD13369
+CONECT 7326 7325 7411 1CD13370
+CONECT 7411 7326 7410 1CD13371
+CONECT 7546 6601 7547 7557 7560 1CD13372
+CONECT 7547 7546 7548 7554 7561 1CD13373
+CONECT 7548 7547 7549 7555 7562 1CD13374
+CONECT 7549 7548 7550 7556 7563 1CD13375
+CONECT 7550 7549 7551 7557 7564 1CD13376
+CONECT 7551 7550 7558 7565 7566 1CD13377
+CONECT 7552 7553 7554 7559 1CD13378
+CONECT 7553 7552 7567 7568 7569 1CD13379
+CONECT 7554 7547 7552 7570 1CD13380
+CONECT 7555 7548 7571 1CD13381
+CONECT 7556 7549 7572 1CD13382
+CONECT 7557 7546 7550 1CD13383
+CONECT 7558 7551 7600 1CD13384
+CONECT 7559 7552 1CD13385
+CONECT 7560 7546 1CD13386
+CONECT 7561 7547 1CD13387
+CONECT 7562 7548 1CD13388
+CONECT 7563 7549 1CD13389
+CONECT 7564 7550 1CD13390
+CONECT 7565 7551 1CD13391
+CONECT 7566 7551 1CD13392
+CONECT 7567 7553 1CD13393
+CONECT 7568 7553 1CD13394
+CONECT 7569 7553 1CD13395
+CONECT 7570 7554 1CD13396
+CONECT 7571 7555 1CD13397
+CONECT 7572 7556 7573 7583 7586 1CD13398
+CONECT 7573 7572 7574 7580 7587 1CD13399
+CONECT 7574 7573 7575 7581 7588 1CD13400
+CONECT 7575 7574 7576 7582 7589 1CD13401
+CONECT 7576 7575 7577 7583 7590 1CD13402
+CONECT 7577 7576 7584 7591 7592 1CD13403
+CONECT 7578 7579 7580 7585 1CD13404
+CONECT 7579 7578 7593 7594 7595 1CD13405
+CONECT 7580 7573 7578 7596 1CD13406
+CONECT 7581 7574 7598 1CD13407
+CONECT 7582 7575 7597 1CD13408
+CONECT 7583 7572 7576 1CD13409
+CONECT 7584 7577 7599 1CD13410
+CONECT 7585 7578 1CD13411
+CONECT 7586 7572 1CD13412
+CONECT 7587 7573 1CD13413
+CONECT 7588 7574 1CD13414
+CONECT 7589 7575 1CD13415
+CONECT 7590 7576 1CD13416
+CONECT 7591 7577 1CD13417
+CONECT 7592 7577 1CD13418
+CONECT 7593 7579 1CD13419
+CONECT 7594 7579 1CD13420
+CONECT 7595 7579 1CD13421
+CONECT 7596 7580 1CD13422
+CONECT 7597 7582 1CD13423
+CONECT 7598 7581 1CD13424
+CONECT 7599 7584 1CD13425
+CONECT 7600 7558 7601 7609 7610 1CD13426
+CONECT 7601 7600 7602 7606 7611 1CD13427
+CONECT 7602 7601 7603 7607 7612 1CD13428
+CONECT 7603 7602 7604 7608 7613 1CD13429
+CONECT 7604 7603 7605 7609 7614 1CD13430
+CONECT 7605 7604 7615 1CD13431
+CONECT 7606 7601 7618 1CD13432
+CONECT 7607 7602 7619 1CD13433
+CONECT 7608 7603 7620 1CD13434
+CONECT 7609 7600 7604 1CD13435
+CONECT 7610 7600 1CD13436
+CONECT 7611 7601 1CD13437
+CONECT 7612 7602 1CD13438
+CONECT 7613 7603 1CD13439
+CONECT 7614 7604 1CD13440
+CONECT 7615 7605 1CD13441
+CONECT 7616 7605 1CD13442
+CONECT 7617 7605 1CD13443
+CONECT 7618 7606 1CD13444
+CONECT 7619 7607 1CD13445
+CONECT 7620 7608 1CD13446
+CONECT 7664 7663 7968 1CD13447
+CONECT 7709 7708 7797 1CD13448
+CONECT 7797 7709 7796 1CD13449
+CONECT 7871 7869 8816 1CD13450
+CONECT 7882 7881 8178 1CD13451
+CONECT 7968 7664 7967 1CD13452
+CONECT 8178 7882 8177 1CD13453
+CONECT 8286 8285 8586 1CD13454
+CONECT 8586 8286 8585 1CD13455
+CONECT 8596 8595 8681 1CD13456
+CONECT 8681 8596 8680 1CD13457
+CONECT 8816 7871 8817 8827 8830 1CD13458
+CONECT 8817 8816 8818 8824 8831 1CD13459
+CONECT 8818 8817 8819 8825 8832 1CD13460
+CONECT 8819 8818 8820 8826 8833 1CD13461
+CONECT 8820 8819 8821 8827 8834 1CD13462
+CONECT 8821 8820 8828 8835 8836 1CD13463
+CONECT 8822 8823 8824 8829 1CD13464
+CONECT 8823 8822 8837 8838 8839 1CD13465
+CONECT 8824 8817 8822 8840 1CD13466
+CONECT 8825 8818 8841 1CD13467
+CONECT 8826 8819 8842 1CD13468
+CONECT 8827 8816 8820 1CD13469
+CONECT 8828 8821 8870 1CD13470
+CONECT 8829 8822 1CD13471
+CONECT 8830 8816 1CD13472
+CONECT 8831 8817 1CD13473
+CONECT 8832 8818 1CD13474
+CONECT 8833 8819 1CD13475
+CONECT 8834 8820 1CD13476
+CONECT 8835 8821 1CD13477
+CONECT 8836 8821 1CD13478
+CONECT 8837 8823 1CD13479
+CONECT 8838 8823 1CD13480
+CONECT 8839 8823 1CD13481
+CONECT 8840 8824 1CD13482
+CONECT 8841 8825 1CD13483
+CONECT 8842 8826 8843 8853 8856 1CD13484
+CONECT 8843 8842 8844 8850 8857 1CD13485
+CONECT 8844 8843 8845 8851 8858 1CD13486
+CONECT 8845 8844 8846 8852 8859 1CD13487
+CONECT 8846 8845 8847 8853 8860 1CD13488
+CONECT 8847 8846 8854 8861 8862 1CD13489
+CONECT 8848 8849 8850 8855 1CD13490
+CONECT 8849 8848 8863 8864 8865 1CD13491
+CONECT 8850 8843 8848 8866 1CD13492
+CONECT 8851 8844 8868 1CD13493
+CONECT 8852 8845 8867 1CD13494
+CONECT 8853 8842 8846 1CD13495
+CONECT 8854 8847 8869 1CD13496
+CONECT 8855 8848 1CD13497
+CONECT 8856 8842 1CD13498
+CONECT 8857 8843 1CD13499
+CONECT 8858 8844 1CD13500
+CONECT 8859 8845 1CD13501
+CONECT 8860 8846 1CD13502
+CONECT 8861 8847 1CD13503
+CONECT 8862 8847 1CD13504
+CONECT 8863 8849 1CD13505
+CONECT 8864 8849 1CD13506
+CONECT 8865 8849 1CD13507
+CONECT 8866 8850 1CD13508
+CONECT 8867 8852 1CD13509
+CONECT 8868 8851 1CD13510
+CONECT 8869 8854 1CD13511
+CONECT 8870 8828 8871 8879 8880 1CD13512
+CONECT 8871 8870 8872 8876 8881 1CD13513
+CONECT 8872 8871 8873 8877 8882 1CD13514
+CONECT 8873 8872 8874 8878 8883 1CD13515
+CONECT 8874 8873 8875 8879 8884 1CD13516
+CONECT 8875 8874 8885 1CD13517
+CONECT 8876 8871 8888 1CD13518
+CONECT 8877 8872 8889 1CD13519
+CONECT 8878 8873 8890 1CD13520
+CONECT 8879 8870 8874 1CD13521
+CONECT 8880 8870 1CD13522
+CONECT 8881 8871 1CD13523
+CONECT 8882 8872 1CD13524
+CONECT 8883 8873 1CD13525
+CONECT 8884 8874 1CD13526
+CONECT 8885 8875 1CD13527
+CONECT 8886 8875 1CD13528
+CONECT 8887 8875 1CD13529
+CONECT 8888 8876 1CD13530
+CONECT 8889 8877 1CD13531
+CONECT 8890 8878 1CD13532
+CONECT 8934 8933 9238 1CD13533
+CONECT 8979 8978 9067 1CD13534
+CONECT 9067 8979 9066 1CD13535
+CONECT 9141 913910086 1CD13536
+CONECT 9152 9151 9448 1CD13537
+CONECT 9238 8934 9237 1CD13538
+CONECT 9448 9152 9447 1CD13539
+CONECT 9556 9555 9856 1CD13540
+CONECT 9856 9556 9855 1CD13541
+CONECT 9866 9865 9951 1CD13542
+CONECT 9951 9866 9950 1CD13543
+CONECT10086 9141100871009710100 1CD13544
+CONECT1008710086100881009410101 1CD13545
+CONECT1008810087100891009510102 1CD13546
+CONECT1008910088100901009610103 1CD13547
+CONECT1009010089100911009710104 1CD13548
+CONECT1009110090100981010510106 1CD13549
+CONECT10092100931009410099 1CD13550
+CONECT1009310092101071010810109 1CD13551
+CONECT10094100871009210110 1CD13552
+CONECT100951008810111 1CD13553
+CONECT100961008910112 1CD13554
+CONECT100971008610090 1CD13555
+CONECT100981009110140 1CD13556
+CONECT1009910092 1CD13557
+CONECT1010010086 1CD13558
+CONECT1010110087 1CD13559
+CONECT1010210088 1CD13560
+CONECT1010310089 1CD13561
+CONECT1010410090 1CD13562
+CONECT1010510091 1CD13563
+CONECT1010610091 1CD13564
+CONECT1010710093 1CD13565
+CONECT1010810093 1CD13566
+CONECT1010910093 1CD13567
+CONECT1011010094 1CD13568
+CONECT1011110095 1CD13569
+CONECT1011210096101131012310126 1CD13570
+CONECT1011310112101141012010127 1CD13571
+CONECT1011410113101151012110128 1CD13572
+CONECT1011510114101161012210129 1CD13573
+CONECT1011610115101171012310130 1CD13574
+CONECT1011710116101241013110132 1CD13575
+CONECT10118101191012010125 1CD13576
+CONECT1011910118101331013410135 1CD13577
+CONECT10120101131011810136 1CD13578
+CONECT101211011410138 1CD13579
+CONECT101221011510137 1CD13580
+CONECT101231011210116 1CD13581
+CONECT101241011710139 1CD13582
+CONECT1012510118 1CD13583
+CONECT1012610112 1CD13584
+CONECT1012710113 1CD13585
+CONECT1012810114 1CD13586
+CONECT1012910115 1CD13587
+CONECT1013010116 1CD13588
+CONECT1013110117 1CD13589
+CONECT1013210117 1CD13590
+CONECT1013310119 1CD13591
+CONECT1013410119 1CD13592
+CONECT1013510119 1CD13593
+CONECT1013610120 1CD13594
+CONECT1013710122 1CD13595
+CONECT1013810121 1CD13596
+CONECT1013910124 1CD13597
+CONECT1014010098101411014910150 1CD13598
+CONECT1014110140101421014610151 1CD13599
+CONECT1014210141101431014710152 1CD13600
+CONECT1014310142101441014810153 1CD13601
+CONECT1014410143101451014910154 1CD13602
+CONECT101451014410155 1CD13603
+CONECT101461014110158 1CD13604
+CONECT101471014210159 1CD13605
+CONECT101481014310160 1CD13606
+CONECT101491014010144 1CD13607
+CONECT1015010140 1CD13608
+CONECT1015110141 1CD13609
+CONECT1015210142 1CD13610
+CONECT1015310143 1CD13611
+CONECT1015410144 1CD13612
+CONECT1015510145 1CD13613
+CONECT1015610145 1CD13614
+CONECT1015710145 1CD13615
+CONECT1015810146 1CD13616
+CONECT1015910147 1CD13617
+CONECT1016010148 1CD13618
+CONECT102041020310508 1CD13619
+CONECT102491024810337 1CD13620
+CONECT103371024910336 1CD13621
+CONECT104111040911356 1CD13622
+CONECT104221042110718 1CD13623
+CONECT105081020410507 1CD13624
+CONECT107181042210717 1CD13625
+CONECT108261082511126 1CD13626
+CONECT111261082611125 1CD13627
+CONECT111361113511221 1CD13628
+CONECT112211113611220 1CD13629
+CONECT1135610411113571136711370 1CD13630
+CONECT1135711356113581136411371 1CD13631
+CONECT1135811357113591136511372 1CD13632
+CONECT1135911358113601136611373 1CD13633
+CONECT1136011359113611136711374 1CD13634
+CONECT1136111360113681137511376 1CD13635
+CONECT11362113631136411369 1CD13636
+CONECT1136311362113771137811379 1CD13637
+CONECT11364113571136211380 1CD13638
+CONECT113651135811381 1CD13639
+CONECT113661135911382 1CD13640
+CONECT113671135611360 1CD13641
+CONECT113681136111410 1CD13642
+CONECT1136911362 1CD13643
+CONECT1137011356 1CD13644
+CONECT1137111357 1CD13645
+CONECT1137211358 1CD13646
+CONECT1137311359 1CD13647
+CONECT1137411360 1CD13648
+CONECT1137511361 1CD13649
+CONECT1137611361 1CD13650
+CONECT1137711363 1CD13651
+CONECT1137811363 1CD13652
+CONECT1137911363 1CD13653
+CONECT1138011364 1CD13654
+CONECT1138111365 1CD13655
+CONECT1138211366113831139311396 1CD13656
+CONECT1138311382113841139011397 1CD13657
+CONECT1138411383113851139111398 1CD13658
+CONECT1138511384113861139211399 1CD13659
+CONECT1138611385113871139311400 1CD13660
+CONECT1138711386113941140111402 1CD13661
+CONECT11388113891139011395 1CD13662
+CONECT1138911388114031140411405 1CD13663
+CONECT11390113831138811406 1CD13664
+CONECT113911138411408 1CD13665
+CONECT113921138511407 1CD13666
+CONECT113931138211386 1CD13667
+CONECT113941138711409 1CD13668
+CONECT1139511388 1CD13669
+CONECT1139611382 1CD13670
+CONECT1139711383 1CD13671
+CONECT1139811384 1CD13672
+CONECT1139911385 1CD13673
+CONECT1140011386 1CD13674
+CONECT1140111387 1CD13675
+CONECT1140211387 1CD13676
+CONECT1140311389 1CD13677
+CONECT1140411389 1CD13678
+CONECT1140511389 1CD13679
+CONECT1140611390 1CD13680
+CONECT1140711392 1CD13681
+CONECT1140811391 1CD13682
+CONECT1140911394 1CD13683
+CONECT1141011368114111141911420 1CD13684
+CONECT1141111410114121141611421 1CD13685
+CONECT1141211411114131141711422 1CD13686
+CONECT1141311412114141141811423 1CD13687
+CONECT1141411413114151141911424 1CD13688
+CONECT114151141411425 1CD13689
+CONECT114161141111428 1CD13690
+CONECT114171141211429 1CD13691
+CONECT114181141311430 1CD13692
+CONECT114191141011414 1CD13693
+CONECT1142011410 1CD13694
+CONECT1142111411 1CD13695
+CONECT1142211412 1CD13696
+CONECT1142311413 1CD13697
+CONECT1142411414 1CD13698
+CONECT1142511415 1CD13699
+CONECT1142611415 1CD13700
+CONECT1142711415 1CD13701
+CONECT1142811416 1CD13702
+CONECT1142911417 1CD13703
+CONECT1143011418 1CD13704
+CONECT114741147311778 1CD13705
+CONECT115191151811607 1CD13706
+CONECT116071151911606 1CD13707
+CONECT116811167912626 1CD13708
+CONECT116921169111988 1CD13709
+CONECT117781147411777 1CD13710
+CONECT119881169211987 1CD13711
+CONECT120961209512396 1CD13712
+CONECT123961209612395 1CD13713
+CONECT124061240512491 1CD13714
+CONECT124911240612490 1CD13715
+CONECT1262611681126271263712640 1CD13716
+CONECT1262712626126281263412641 1CD13717
+CONECT1262812627126291263512642 1CD13718
+CONECT1262912628126301263612643 1CD13719
+CONECT1263012629126311263712644 1CD13720
+CONECT1263112630126381264512646 1CD13721
+CONECT12632126331263412639 1CD13722
+CONECT1263312632126471264812649 1CD13723
+CONECT12634126271263212650 1CD13724
+CONECT126351262812651 1CD13725
+CONECT126361262912652 1CD13726
+CONECT126371262612630 1CD13727
+CONECT126381263112680 1CD13728
+CONECT1263912632 1CD13729
+CONECT1264012626 1CD13730
+CONECT1264112627 1CD13731
+CONECT1264212628 1CD13732
+CONECT1264312629 1CD13733
+CONECT1264412630 1CD13734
+CONECT1264512631 1CD13735
+CONECT1264612631 1CD13736
+CONECT1264712633 1CD13737
+CONECT1264812633 1CD13738
+CONECT1264912633 1CD13739
+CONECT1265012634 1CD13740
+CONECT1265112635 1CD13741
+CONECT1265212636126531266312666 1CD13742
+CONECT1265312652126541266012667 1CD13743
+CONECT1265412653126551266112668 1CD13744
+CONECT1265512654126561266212669 1CD13745
+CONECT1265612655126571266312670 1CD13746
+CONECT1265712656126641267112672 1CD13747
+CONECT12658126591266012665 1CD13748
+CONECT1265912658126731267412675 1CD13749
+CONECT12660126531265812676 1CD13750
+CONECT126611265412678 1CD13751
+CONECT126621265512677 1CD13752
+CONECT126631265212656 1CD13753
+CONECT126641265712679 1CD13754
+CONECT1266512658 1CD13755
+CONECT1266612652 1CD13756
+CONECT1266712653 1CD13757
+CONECT1266812654 1CD13758
+CONECT1266912655 1CD13759
+CONECT1267012656 1CD13760
+CONECT1267112657 1CD13761
+CONECT1267212657 1CD13762
+CONECT1267312659 1CD13763
+CONECT1267412659 1CD13764
+CONECT1267512659 1CD13765
+CONECT1267612660 1CD13766
+CONECT1267712662 1CD13767
+CONECT1267812661 1CD13768
+CONECT1267912664 1CD13769
+CONECT1268012638126811268912690 1CD13770
+CONECT1268112680126821268612691 1CD13771
+CONECT1268212681126831268712692 1CD13772
+CONECT1268312682126841268812693 1CD13773
+CONECT1268412683126851268912694 1CD13774
+CONECT126851268412695 1CD13775
+CONECT126861268112698 1CD13776
+CONECT126871268212699 1CD13777
+CONECT126881268312700 1CD13778
+CONECT126891268012684 1CD13779
+CONECT1269012680 1CD13780
+CONECT1269112681 1CD13781
+CONECT1269212682 1CD13782
+CONECT1269312683 1CD13783
+CONECT1269412684 1CD13784
+CONECT1269512685 1CD13785
+CONECT1269612685 1CD13786
+CONECT1269712685 1CD13787
+CONECT1269812686 1CD13788
+CONECT1269912687 1CD13789
+CONECT1270012688 1CD13790
+MASTER 166 2 3 1 5 0 0 612690 10 860 6 1CD13791
+END 1CD13792
diff --git a/tests/polymer_structure_tests.hpp b/tests/polymer_structure_tests.hpp
new file mode 100644
index 0000000..3a46ebd
--- /dev/null
+++ b/tests/polymer_structure_tests.hpp
@@ -0,0 +1,113 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_POLYMER_STRUCTURE_TESTS_HPP
+#define BTK_POLYMER_STRUCTURE_TESTS_HPP
+
+#include <vector>
+#include <cstdlib>
+
+#include <boost/detail/lightweight_test.hpp>
+
+#include <btk/core/concepts/polymer_structure_concept.hpp>
+#include <btk/core/concepts/chain_concept.hpp>
+#include <btk/core/molecules/monomer.hpp>
+#include <btk/core/atoms/atom.hpp>
+
+#include "atomic_structure_tests.hpp"
+
+typedef BTK::MOLECULES::Monomer<BTK::ATOMS::Atom<> > monomer;
+
+struct RandomMonomerGenerator
+{
+ monomer operator()(void) const
+ {
+ unsigned size = std::rand() / (unsigned)(((unsigned)RAND_MAX + 1) / 30) + 1;
+
+ std::vector<BTK::ATOMS::Atom<> > v(size);
+ std::generate(v.begin(),v.end(),RandomAtomGenerator());
+
+ int type = std::rand() / (int)(((int)RAND_MAX + 1) / 500);
+ int num = std::rand() / (int)(((int)RAND_MAX + 1) / 1000);
+
+ return monomer(v.begin(),v.end(),type,num);
+ }
+};
+
+template <typename MutablePolymerStructureType>
+void test_mutable_polymer_structure_type()
+{
+ using BTK::CONCEPTS::MutablePolymerStructureConcept;
+ boost::function_requires<MutablePolymerStructureConcept<MutablePolymerStructureType> >();
+ using BTK::CONCEPTS::ChainConcept;
+ boost::function_requires<ChainConcept<MutablePolymerStructureType> >();
+
+ // Test the BTKSequence-required methods.
+ test_btk_sequence_type<MutablePolymerStructureType,RandomMonomerGenerator>();
+
+ MutablePolymerStructureType ps(29);
+ std::generate(ps.polymer_begin(),ps.polymer_end(),RandomMonomerGenerator());
+
+ // Test the Polymer-specific methods.
+ test_polymer_structure(ps);
+}
+
+template <typename PolymerStructureType>
+void test_polymer_structure(PolymerStructureType & ps)
+{
+ BOOST_TEST(!ps.empty());
+
+ using BTK::CONCEPTS::PolymerStructureConcept;
+ boost::function_requires<PolymerStructureConcept<PolymerStructureType> >();
+ using BTK::CONCEPTS::ChainConcept;
+ boost::function_requires<ChainConcept<PolymerStructureType> >();
+
+ test_btk_container(ps);
+ test_const_polymer_structure(ps);
+
+ test_iteration(ps.polymer_begin(),ps.polymer_end(),
+ ps.size());
+ test_iteration(ps.polymer_rbegin(),ps.polymer_rend(),
+ ps.size());
+
+ PolymerStructureType p2(ps);
+ BOOST_TEST(p2 == ps);
+ BOOST_TEST(std::equal(ps.polymer_begin(), ps.polymer_end(),
+ p2.polymer_begin()));
+}
+
+template <typename PolymerStructureType>
+void test_const_polymer_structure(PolymerStructureType const & ps)
+{
+ BOOST_TEST(!ps.empty());
+
+ using BTK::CONCEPTS::PolymerStructureConcept;
+ boost::function_requires<PolymerStructureConcept<PolymerStructureType> >();
+ using BTK::CONCEPTS::ChainConcept;
+ boost::function_requires<ChainConcept<PolymerStructureType> >();
+
+ BOOST_TEST(ps.size() == ps.num_monomers());
+
+ test_const_btk_container(ps);
+ test_iteration(ps.polymer_begin(),ps.polymer_end(),ps.size());
+ test_iteration(ps.polymer_rbegin(),ps.polymer_rend(),ps.size());
+}
+
+#endif
diff --git a/tests/system_tests.hpp b/tests/system_tests.hpp
new file mode 100644
index 0000000..5143d02
--- /dev/null
+++ b/tests/system_tests.hpp
@@ -0,0 +1,136 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_SYSTEM_TESTS_HPP
+#define BTK_SYSTEM_TESTS_HPP
+
+#include <vector>
+#include <cstdlib>
+
+#include <boost/detail/lightweight_test.hpp>
+
+#include <btk/core/concepts/system_concept.hpp>
+#include <btk/core/molecules/molecule.hpp>
+#include <btk/core/molecules/polymer.hpp>
+#include <btk/core/molecules/monomer.hpp>
+#include <btk/core/atoms/atom.hpp>
+
+#include "polymer_structure_tests.hpp"
+
+typedef BTK::ATOMS::Atom<> atom;
+typedef BTK::MOLECULES::Monomer<atom> monomer;
+typedef BTK::MOLECULES::Polymer<monomer> polymer;
+typedef BTK::MOLECULES::Molecule<atom> molecule;
+
+struct RandomPolymerGenerator
+{
+ polymer operator()(void) const
+ {
+ unsigned size = std::rand() / (unsigned)(((unsigned)RAND_MAX + 1) / 30) + 1;
+
+ polymer p(size);
+ std::generate(p.polymer_begin(),p.polymer_end(),RandomMonomerGenerator());
+
+ return p;
+ }
+};
+
+struct RandomMoleculeGenerator
+{
+ molecule operator()(void) const
+ {
+ unsigned size = std::rand() / (unsigned)(((unsigned)RAND_MAX + 1) / 300) + 1;
+
+ molecule m(size);
+ std::generate(m.structure_begin(),m.structure_end(),RandomAtomGenerator());
+
+ return m;
+ }
+};
+
+template <typename SystemType, typename ChainGeneratorType>
+void test_system_type()
+{
+ using BTK::CONCEPTS::MutableSystemConcept;
+ boost::function_requires<MutableSystemConcept<SystemType> >();
+
+ test_btk_sequence_type<SystemType,ChainGeneratorType>();
+
+ SystemType s(5);
+ std::generate(s.system_begin(),s.system_end(),ChainGeneratorType());
+
+ test_system(s);
+}
+
+template <typename SystemType>
+void test_system(SystemType & s)
+{
+ BOOST_TEST(!s.empty());
+
+ using BTK::CONCEPTS::SystemConcept;
+ boost::function_requires<SystemConcept<SystemType> >();
+
+ test_btk_container(s);
+ test_const_system(s);
+
+ // test chain iteration
+ test_iteration(s.system_begin(),s.system_end(),
+ s.num_chains());
+ test_iteration(s.system_rbegin(),s.system_rend(),
+ s.num_chains());
+
+ // test atom iteration
+ test_iteration(s.structure_begin(),s.structure_end(),
+ s.num_atoms());
+ test_iteration(s.structure_rbegin(),s.structure_rend(),
+ s.num_atoms());
+
+ SystemType s2(s);
+ BOOST_TEST(s2 == s);
+ BOOST_TEST(std::equal(s.system_begin(), s.system_end(),
+ s2.system_begin()));
+}
+
+template <typename SystemType>
+void test_const_system(SystemType const & s)
+{
+ BOOST_TEST(!s.empty());
+
+ using BTK::CONCEPTS::SystemConcept;
+ boost::function_requires<SystemConcept<SystemType> >();
+
+ BOOST_TEST(s.size() == s.num_chains());
+
+ test_const_btk_container(s);
+
+ // test chain iteration
+ test_iteration(s.system_begin(),s.system_end(),
+ s.num_chains());
+ test_iteration(s.system_rbegin(),s.system_rend(),
+ s.num_chains());
+
+ // test atom iteration
+ test_iteration(s.structure_begin(),s.structure_end(),
+ s.num_atoms());
+ test_iteration(s.structure_rbegin(),s.structure_rend(),
+ s.num_atoms());
+}
+
+#endif // BTK_SYSTEM_TESTS_HPP
diff --git a/tests/test.pdb b/tests/test.pdb
new file mode 100644
index 0000000..c10a473
--- /dev/null
+++ b/tests/test.pdb
@@ -0,0 +1,1417 @@
+REMARK This is a multi-chain pdb file for test use.
+REMARK Contains 3 chains, 107 residues, 1153 ATOMs, and 258 HETATMs.
+ATOM 1 N ARG A 1 -15.318 8.439 62.436 1.00 25.84 N
+ATOM 2 CA ARG A 1 -14.019 7.778 62.481 1.00 25.23 C
+ATOM 3 C ARG A 1 -13.961 6.807 63.655 1.00 23.47 C
+ATOM 4 O ARG A 1 -13.525 7.152 64.750 1.00 24.47 O
+ATOM 5 CB ARG A 1 -12.903 8.818 62.552 1.00 24.62 C
+ATOM 6 CG ARG A 1 -12.914 9.741 61.348 1.00 25.06 C
+ATOM 7 CD ARG A 1 -11.681 10.602 61.267 1.00 25.18 C
+ATOM 8 NE ARG A 1 -11.672 11.373 60.028 1.00 25.70 N
+ATOM 9 CZ ARG A 1 -10.573 11.749 59.378 1.00 25.27 C
+ATOM 10 NH1 ARG A 1 -9.370 11.426 59.837 1.00 22.01 N
+ATOM 11 NH2 ARG A 1 -10.684 12.480 58.277 1.00 25.62 N
+ATOM 12 N PRO A 2 -14.360 5.552 63.412 1.00 22.41 N
+ATOM 13 CA PRO A 2 -14.385 4.493 64.421 1.00 21.37 C
+ATOM 14 C PRO A 2 -13.039 3.923 64.843 1.00 19.95 C
+ATOM 15 O PRO A 2 -12.946 3.310 65.905 1.00 19.22 O
+ATOM 16 CB PRO A 2 -15.216 3.386 63.754 1.00 21.56 C
+ATOM 17 CG PRO A 2 -15.740 3.984 62.474 1.00 22.00 C
+ATOM 18 CD PRO A 2 -14.743 5.020 62.098 1.00 21.99 C
+ATOM 19 N TYR A 3 -12.002 4.129 64.033 1.00 18.11 N
+ATOM 20 CA TYR A 3 -10.701 3.546 64.337 1.00 16.60 C
+ATOM 21 C TYR A 3 -9.616 4.474 64.837 1.00 16.67 C
+ATOM 22 O TYR A 3 -8.949 5.142 64.054 1.00 15.82 O
+ATOM 23 CB TYR A 3 -10.214 2.755 63.138 1.00 15.82 C
+ATOM 24 CG TYR A 3 -11.272 1.825 62.618 1.00 16.32 C
+ATOM 25 CD1 TYR A 3 -11.513 0.599 63.234 1.00 15.54 C
+ATOM 26 CD2 TYR A 3 -12.048 2.174 61.510 1.00 15.84 C
+ATOM 27 CE1 TYR A 3 -12.496 -0.256 62.760 1.00 17.95 C
+ATOM 28 CE2 TYR A 3 -13.029 1.326 61.031 1.00 16.56 C
+ATOM 29 CZ TYR A 3 -13.247 0.115 61.658 1.00 17.07 C
+ATOM 30 OH TYR A 3 -14.220 -0.730 61.187 1.00 20.16 O
+ATOM 31 N ALA A 4 -9.385 4.424 66.146 1.00 16.01 N
+ATOM 32 CA ALA A 4 -8.393 5.264 66.800 1.00 15.47 C
+ATOM 33 C ALA A 4 -7.033 4.593 66.921 1.00 15.27 C
+ATOM 34 O ALA A 4 -6.947 3.398 67.187 1.00 15.08 O
+ATOM 35 CB ALA A 4 -8.897 5.663 68.185 1.00 15.93 C
+ATOM 36 N CYS A 5 -5.965 5.366 66.725 1.00 15.21 N
+ATOM 37 CA CYS A 5 -4.613 4.823 66.860 1.00 15.54 C
+ATOM 38 C CYS A 5 -4.446 4.481 68.333 1.00 16.04 C
+ATOM 39 O CYS A 5 -4.697 5.316 69.194 1.00 15.81 O
+ATOM 40 CB CYS A 5 -3.558 5.846 66.462 1.00 13.97 C
+ATOM 41 SG CYS A 5 -1.910 5.187 66.713 1.00 13.89 S
+ATOM 42 N PRO A 6 -4.060 3.239 68.638 1.00 16.26 N
+ATOM 43 CA PRO A 6 -3.888 2.819 70.035 1.00 16.85 C
+ATOM 44 C PRO A 6 -2.642 3.307 70.776 1.00 16.69 C
+ATOM 45 O PRO A 6 -2.539 3.134 71.991 1.00 17.52 O
+ATOM 46 CB PRO A 6 -3.961 1.292 69.938 1.00 17.07 C
+ATOM 47 CG PRO A 6 -3.354 1.015 68.594 1.00 17.10 C
+ATOM 48 CD PRO A 6 -3.953 2.094 67.714 1.00 16.92 C
+ATOM 49 N VAL A 7 -1.706 3.914 70.058 1.00 15.78 N
+ATOM 50 CA VAL A 7 -0.496 4.415 70.686 1.00 17.75 C
+ATOM 51 C VAL A 7 -0.845 5.613 71.570 1.00 19.53 C
+ATOM 52 O VAL A 7 -1.443 6.585 71.120 1.00 18.96 O
+ATOM 53 CB VAL A 7 0.571 4.785 69.639 1.00 17.56 C
+ATOM 54 CG1 VAL A 7 1.789 5.395 70.319 1.00 17.80 C
+ATOM 55 CG2 VAL A 7 0.966 3.546 68.856 1.00 17.07 C
+ATOM 56 N GLU A 8 -0.468 5.517 72.837 1.00 21.50 N
+ATOM 57 CA GLU A 8 -0.753 6.546 73.830 1.00 23.95 C
+ATOM 58 C GLU A 8 -0.557 8.023 73.440 1.00 23.74 C
+ATOM 59 O GLU A 8 -1.458 8.843 73.640 1.00 23.39 O
+ATOM 60 CB GLU A 8 0.027 6.235 75.115 1.00 26.68 C
+ATOM 61 CG GLU A 8 -0.281 7.170 76.275 1.00 28.54 C
+ATOM 62 CD GLU A 8 -1.755 7.220 76.599 1.00 29.65 C
+ATOM 63 OE1 GLU A 8 -2.380 6.142 76.706 1.00 31.71 O
+ATOM 64 OE2 GLU A 8 -2.290 8.340 76.731 1.00 30.97 O
+ATOM 65 N SER A 9 0.612 8.360 72.902 1.00 23.75 N
+ATOM 66 CA SER A 9 0.914 9.742 72.523 1.00 24.15 C
+ATOM 67 C SER A 9 0.224 10.228 71.244 1.00 23.75 C
+ATOM 68 O SER A 9 0.224 11.420 70.947 1.00 24.06 O
+ATOM 69 CB SER A 9 2.428 9.914 72.385 1.00 25.08 C
+ATOM 70 OG SER A 9 2.947 9.008 71.425 1.00 27.89 O
+ATOM 71 N CYS A 10 -0.412 9.311 70.523 1.00 23.25 N
+ATOM 72 CA CYS A 10 -1.065 9.640 69.263 1.00 21.77 C
+ATOM 73 C CYS A 10 -2.586 9.762 69.317 1.00 22.11 C
+ATOM 74 O CYS A 10 -3.270 8.892 69.849 1.00 21.79 O
+ATOM 75 CB CYS A 10 -0.669 8.599 68.221 1.00 21.02 C
+ATOM 76 SG CYS A 10 -1.267 8.962 66.563 1.00 18.26 S
+ATOM 77 N ASP A 11 -3.121 10.816 68.704 1.00 21.95 N
+ATOM 78 CA ASP A 11 -4.568 11.025 68.699 1.00 22.29 C
+ATOM 79 C ASP A 11 -5.235 10.937 67.325 1.00 21.56 C
+ATOM 80 O ASP A 11 -6.348 11.430 67.149 1.00 20.87 O
+ATOM 81 CB ASP A 11 -4.931 12.351 69.385 1.00 23.33 C
+ATOM 82 CG ASP A 11 -4.575 12.360 70.871 1.00 24.97 C
+ATOM 83 OD1 ASP A 11 -4.859 11.353 71.563 1.00 26.57 O
+ATOM 84 OD2 ASP A 11 -3.999 13.365 71.347 1.00 25.27 O
+ATOM 85 N ARG A 12 -4.582 10.279 66.367 1.00 20.92 N
+ATOM 86 CA ARG A 12 -5.161 10.126 65.025 1.00 21.31 C
+ATOM 87 C ARG A 12 -6.297 9.101 65.028 1.00 19.21 C
+ATOM 88 O ARG A 12 -6.229 8.084 65.730 1.00 18.05 O
+ATOM 89 CB ARG A 12 -4.105 9.671 64.004 1.00 23.79 C
+ATOM 90 CG ARG A 12 -2.895 10.575 63.876 1.00 28.70 C
+ATOM 91 CD ARG A 12 -3.267 11.946 63.357 1.00 32.82 C
+ATOM 92 NE ARG A 12 -3.691 11.916 61.961 1.00 37.21 N
+ATOM 93 CZ ARG A 12 -3.796 12.994 61.183 1.00 39.42 C
+ATOM 94 NH1 ARG A 12 -3.503 14.200 61.662 1.00 40.01 N
+ATOM 95 NH2 ARG A 12 -4.209 12.868 59.926 1.00 40.01 N
+ATOM 96 N ARG A 13 -7.338 9.392 64.251 1.00 17.85 N
+ATOM 97 CA ARG A 13 -8.503 8.514 64.100 1.00 16.96 C
+ATOM 98 C ARG A 13 -8.766 8.327 62.608 1.00 15.89 C
+ATOM 99 O ARG A 13 -8.618 9.266 61.823 1.00 14.84 O
+ATOM 100 CB ARG A 13 -9.746 9.109 64.763 1.00 17.44 C
+ATOM 101 CG ARG A 13 -9.627 9.337 66.258 1.00 19.48 C
+ATOM 102 CD ARG A 13 -10.988 9.699 66.850 1.00 20.17 C
+ATOM 103 NE ARG A 13 -11.906 8.562 66.793 1.00 21.97 N
+ATOM 104 CZ ARG A 13 -12.098 7.703 67.791 1.00 22.77 C
+ATOM 105 NH1 ARG A 13 -11.452 7.856 68.936 1.00 23.79 N
+ATOM 106 NH2 ARG A 13 -12.875 6.645 67.617 1.00 22.66 N
+ATOM 107 N PHE A 14 -9.180 7.121 62.231 1.00 15.76 N
+ATOM 108 CA PHE A 14 -9.434 6.785 60.835 1.00 15.71 C
+ATOM 109 C PHE A 14 -10.833 6.233 60.541 1.00 15.85 C
+ATOM 110 O PHE A 14 -11.444 5.543 61.369 1.00 15.82 O
+ATOM 111 CB PHE A 14 -8.384 5.778 60.337 1.00 13.19 C
+ATOM 112 CG PHE A 14 -6.984 6.323 60.307 1.00 13.48 C
+ATOM 113 CD1 PHE A 14 -6.170 6.258 61.444 1.00 13.50 C
+ATOM 114 CD2 PHE A 14 -6.472 6.915 59.144 1.00 12.68 C
+ATOM 115 CE1 PHE A 14 -4.868 6.774 61.426 1.00 11.47 C
+ATOM 116 CE2 PHE A 14 -5.173 7.433 59.116 1.00 11.52 C
+ATOM 117 CZ PHE A 14 -4.371 7.362 60.262 1.00 11.57 C
+ATOM 118 N SER A 15 -11.314 6.541 59.339 1.00 15.51 N
+ATOM 119 CA SER A 15 -12.607 6.074 58.854 1.00 15.62 C
+ATOM 120 C SER A 15 -12.522 4.585 58.509 1.00 16.10 C
+ATOM 121 O SER A 15 -13.487 3.841 58.687 1.00 17.11 O
+ATOM 122 CB SER A 15 -12.989 6.838 57.581 1.00 15.52 C
+ATOM 123 OG SER A 15 -13.187 8.209 57.849 1.00 18.19 O
+ATOM 124 N ARG A 16 -11.366 4.167 57.990 1.00 15.53 N
+ATOM 125 CA ARG A 16 -11.133 2.784 57.578 1.00 14.37 C
+ATOM 126 C ARG A 16 -9.982 2.165 58.355 1.00 14.04 C
+ATOM 127 O ARG A 16 -8.930 2.790 58.515 1.00 13.74 O
+ATOM 128 CB ARG A 16 -10.820 2.746 56.079 1.00 14.49 C
+ATOM 129 CG ARG A 16 -12.004 3.117 55.197 1.00 16.03 C
+ATOM 130 CD ARG A 16 -11.577 3.330 53.760 1.00 16.59 C
+ATOM 131 NE ARG A 16 -10.652 4.454 53.662 1.00 17.40 N
+ATOM 132 CZ ARG A 16 -11.032 5.720 53.536 1.00 16.40 C
+ATOM 133 NH1 ARG A 16 -12.316 6.023 53.471 1.00 16.36 N
+ATOM 134 NH2 ARG A 16 -10.133 6.688 53.550 1.00 17.57 N
+ATOM 135 N SER A 17 -10.169 0.929 58.814 1.00 13.06 N
+ATOM 136 CA SER A 17 -9.130 0.247 59.577 1.00 12.86 C
+ATOM 137 C SER A 17 -7.850 -0.013 58.784 1.00 12.12 C
+ATOM 138 O SER A 17 -6.760 -0.013 59.354 1.00 11.39 O
+ATOM 139 CB SER A 17 -9.662 -1.057 60.174 1.00 14.30 C
+ATOM 140 OG SER A 17 -10.408 -1.772 59.215 1.00 17.91 O
+ATOM 141 N ALA A 18 -7.977 -0.232 57.476 1.00 11.71 N
+ATOM 142 CA ALA A 18 -6.801 -0.473 56.641 1.00 11.92 C
+ATOM 143 C ALA A 18 -5.868 0.744 56.660 1.00 11.61 C
+ATOM 144 O ALA A 18 -4.648 0.602 56.576 1.00 10.38 O
+ATOM 145 CB ALA A 18 -7.220 -0.818 55.205 1.00 12.72 C
+ATOM 146 N ASP A 19 -6.446 1.936 56.799 1.00 11.26 N
+ATOM 147 CA ASP A 19 -5.649 3.158 56.845 1.00 11.26 C
+ATOM 148 C ASP A 19 -4.931 3.263 58.190 1.00 10.94 C
+ATOM 149 O ASP A 19 -3.826 3.791 58.266 1.00 10.17 O
+ATOM 150 CB ASP A 19 -6.515 4.387 56.572 1.00 11.51 C
+ATOM 151 CG ASP A 19 -7.041 4.430 55.137 1.00 13.05 C
+ATOM 152 OD1 ASP A 19 -6.696 3.545 54.321 1.00 12.87 O
+ATOM 153 OD2 ASP A 19 -7.800 5.369 54.821 1.00 13.57 O
+ATOM 154 N LEU A 20 -5.561 2.754 59.249 1.00 11.07 N
+ATOM 155 CA LEU A 20 -4.934 2.753 60.567 1.00 10.24 C
+ATOM 156 C LEU A 20 -3.770 1.759 60.536 1.00 10.59 C
+ATOM 157 O LEU A 20 -2.720 2.002 61.130 1.00 11.91 O
+ATOM 158 CB LEU A 20 -5.942 2.373 61.658 1.00 10.98 C
+ATOM 159 CG LEU A 20 -5.310 2.142 63.035 1.00 10.58 C
+ATOM 160 CD1 LEU A 20 -4.596 3.395 63.497 1.00 10.32 C
+ATOM 161 CD2 LEU A 20 -6.384 1.735 64.024 1.00 11.66 C
+ATOM 162 N THR A 21 -3.952 0.646 59.829 1.00 9.85 N
+ATOM 163 CA THR A 21 -2.897 -0.356 59.697 1.00 10.68 C
+ATOM 164 C THR A 21 -1.659 0.242 59.006 1.00 10.64 C
+ATOM 165 O THR A 21 -0.518 -0.056 59.383 1.00 11.12 O
+ATOM 166 CB THR A 21 -3.406 -1.587 58.920 1.00 10.74 C
+ATOM 167 OG1 THR A 21 -4.445 -2.216 59.679 1.00 10.17 O
+ATOM 168 CG2 THR A 21 -2.276 -2.594 58.671 1.00 11.05 C
+ATOM 169 N ARG A 22 -1.885 1.085 57.998 1.00 9.39 N
+ATOM 170 CA ARG A 22 -0.768 1.722 57.300 1.00 9.20 C
+ATOM 171 C ARG A 22 -0.108 2.723 58.241 1.00 9.35 C
+ATOM 172 O ARG A 22 1.124 2.772 58.355 1.00 10.06 O
+ATOM 173 CB ARG A 22 -1.242 2.442 56.034 1.00 8.16 C
+ATOM 174 CG ARG A 22 -0.098 3.085 55.276 1.00 8.94 C
+ATOM 175 CD ARG A 22 -0.550 3.814 54.021 1.00 9.36 C
+ATOM 176 NE ARG A 22 -1.495 4.882 54.314 1.00 8.65 N
+ATOM 177 CZ ARG A 22 -2.047 5.667 53.397 1.00 9.57 C
+ATOM 178 NH1 ARG A 22 -1.739 5.528 52.106 1.00 8.72 N
+ATOM 179 NH2 ARG A 22 -2.965 6.542 53.763 1.00 9.39 N
+ATOM 180 N HIS A 23 -0.944 3.501 58.928 1.00 9.73 N
+ATOM 181 CA HIS A 23 -0.498 4.517 59.881 1.00 10.14 C
+ATOM 182 C HIS A 23 0.398 3.976 60.991 1.00 10.26 C
+ATOM 183 O HIS A 23 1.399 4.603 61.316 1.00 10.60 O
+ATOM 184 CB HIS A 23 -1.712 5.212 60.512 1.00 11.54 C
+ATOM 185 CG HIS A 23 -1.386 6.034 61.725 1.00 12.44 C
+ATOM 186 ND1 HIS A 23 -0.910 7.327 61.647 1.00 12.84 N
+ATOM 187 CD2 HIS A 23 -1.458 5.740 63.046 1.00 12.76 C
+ATOM 188 CE1 HIS A 23 -0.699 7.792 62.867 1.00 12.93 C
+ATOM 189 NE2 HIS A 23 -1.025 6.849 63.733 1.00 13.76 N
+ATOM 190 N ILE A 24 0.039 2.815 61.554 1.00 11.48 N
+ATOM 191 CA ILE A 24 0.795 2.198 62.662 1.00 11.24 C
+ATOM 192 C ILE A 24 2.274 1.960 62.358 1.00 11.61 C
+ATOM 193 O ILE A 24 3.089 1.874 63.275 1.00 12.24 O
+ATOM 194 CB ILE A 24 0.114 0.881 63.172 0.50 9.31 C
+ATOM 195 CG1 ILE A 24 0.575 0.566 64.595 0.50 8.96 C
+ATOM 196 CG2 ILE A 24 0.447 -0.292 62.278 0.50 8.51 C
+ATOM 197 CD1 ILE A 24 0.105 1.560 65.608 0.50 7.04 C
+ATOM 198 N ARG A 25 2.627 1.906 61.074 1.00 12.53 N
+ATOM 199 CA ARG A 25 4.020 1.704 60.665 1.00 12.99 C
+ATOM 200 C ARG A 25 4.917 2.821 61.206 1.00 13.65 C
+ATOM 201 O ARG A 25 6.118 2.620 61.409 1.00 14.03 O
+ATOM 202 CB ARG A 25 4.152 1.648 59.133 1.00 13.65 C
+ATOM 203 CG ARG A 25 3.444 0.478 58.464 1.00 12.91 C
+ATOM 204 CD ARG A 25 3.778 0.392 56.979 1.00 11.47 C
+ATOM 205 NE ARG A 25 2.883 -0.556 56.325 1.00 12.42 N
+ATOM 206 CZ ARG A 25 2.369 -0.397 55.110 1.00 11.74 C
+ATOM 207 NH1 ARG A 25 2.679 0.670 54.384 1.00 11.53 N
+ATOM 208 NH2 ARG A 25 1.441 -1.238 54.678 1.00 11.49 N
+ATOM 209 N ILE A 26 4.325 3.995 61.424 1.00 14.07 N
+ATOM 210 CA ILE A 26 5.050 5.158 61.945 1.00 15.31 C
+ATOM 211 C ILE A 26 5.608 4.846 63.337 1.00 14.33 C
+ATOM 212 O ILE A 26 6.765 5.151 63.645 1.00 13.80 O
+ATOM 213 CB ILE A 26 4.109 6.410 62.052 1.00 15.90 C
+ATOM 214 CG1 ILE A 26 3.608 6.835 60.665 1.00 14.89 C
+ATOM 215 CG2 ILE A 26 4.839 7.575 62.715 1.00 16.58 C
+ATOM 216 CD1 ILE A 26 2.512 7.879 60.704 1.00 14.08 C
+ATOM 217 N HIS A 27 4.771 4.208 64.151 1.00 14.48 N
+ATOM 218 CA HIS A 27 5.109 3.858 65.530 1.00 14.18 C
+ATOM 219 C HIS A 27 5.952 2.596 65.672 1.00 14.46 C
+ATOM 220 O HIS A 27 6.737 2.480 66.609 1.00 15.30 O
+ATOM 221 CB HIS A 27 3.823 3.709 66.361 1.00 13.69 C
+ATOM 222 CG HIS A 27 2.899 4.885 66.267 1.00 14.67 C
+ATOM 223 ND1 HIS A 27 3.291 6.172 66.574 1.00 16.06 N
+ATOM 224 CD2 HIS A 27 1.593 4.967 65.918 1.00 15.00 C
+ATOM 225 CE1 HIS A 27 2.267 6.993 66.423 1.00 14.18 C
+ATOM 226 NE2 HIS A 27 1.224 6.286 66.026 1.00 14.83 N
+ATOM 227 N THR A 28 5.750 1.632 64.782 1.00 13.31 N
+ATOM 228 CA THR A 28 6.509 0.389 64.833 1.00 13.91 C
+ATOM 229 C THR A 28 7.847 0.529 64.118 1.00 14.49 C
+ATOM 230 O THR A 28 8.731 -0.304 64.284 1.00 14.63 O
+ATOM 231 CB THR A 28 5.727 -0.788 64.203 1.00 13.51 C
+ATOM 232 OG1 THR A 28 5.563 -0.560 62.798 1.00 14.29 O
+ATOM 233 CG2 THR A 28 4.361 -0.922 64.847 1.00 11.60 C
+ATOM 234 N GLY A 29 7.979 1.585 63.320 1.00 15.45 N
+ATOM 235 CA GLY A 29 9.203 1.817 62.574 1.00 16.44 C
+ATOM 236 C GLY A 29 9.371 0.862 61.401 1.00 16.69 C
+ATOM 237 O GLY A 29 10.461 0.752 60.839 1.00 18.07 O
+ATOM 238 N GLN A 30 8.296 0.188 61.011 1.00 16.43 N
+ATOM 239 CA GLN A 30 8.355 -0.759 59.903 1.00 16.78 C
+ATOM 240 C GLN A 30 8.437 -0.073 58.523 1.00 15.53 C
+ATOM 241 O GLN A 30 7.611 0.779 58.176 1.00 14.67 O
+ATOM 242 CB GLN A 30 7.157 -1.716 59.965 1.00 19.43 C
+ATOM 243 CG GLN A 30 7.199 -2.830 58.924 1.00 24.41 C
+ATOM 244 CD GLN A 30 5.917 -3.637 58.874 1.00 26.92 C
+ATOM 245 OE1 GLN A 30 4.951 -3.328 59.568 1.00 30.41 O
+ATOM 246 NE2 GLN A 30 5.904 -4.686 58.057 1.00 28.33 N
+ATOM 247 N LYS A 31 9.459 -0.452 57.757 1.00 13.96 N
+ATOM 248 CA LYS A 31 9.703 0.071 56.414 1.00 14.38 C
+ATOM 249 C LYS A 31 9.987 -1.155 55.552 1.00 13.58 C
+ATOM 250 O LYS A 31 11.136 -1.448 55.230 1.00 14.59 O
+ATOM 251 CB LYS A 31 10.915 1.006 56.433 1.00 15.35 C
+ATOM 252 CG LYS A 31 10.650 2.321 57.132 1.00 16.32 C
+ATOM 253 CD LYS A 31 11.912 3.135 57.239 1.00 19.91 C
+ATOM 254 CE LYS A 31 11.615 4.554 57.690 1.00 23.86 C
+ATOM 255 NZ LYS A 31 12.876 5.333 57.892 1.00 28.47 N
+ATOM 256 N PRO A 32 8.929 -1.852 55.117 1.00 13.36 N
+ATOM 257 CA PRO A 32 8.992 -3.069 54.302 1.00 12.82 C
+ATOM 258 C PRO A 32 9.491 -3.011 52.869 1.00 12.99 C
+ATOM 259 O PRO A 32 9.708 -4.061 52.271 1.00 14.67 O
+ATOM 260 CB PRO A 32 7.540 -3.564 54.300 1.00 13.87 C
+ATOM 261 CG PRO A 32 6.840 -2.751 55.370 1.00 14.28 C
+ATOM 262 CD PRO A 32 7.530 -1.433 55.296 1.00 13.69 C
+ATOM 263 N PHE A 33 9.669 -1.820 52.306 1.00 11.21 N
+ATOM 264 CA PHE A 33 10.070 -1.721 50.907 1.00 11.54 C
+ATOM 265 C PHE A 33 11.449 -1.132 50.707 1.00 11.75 C
+ATOM 266 O PHE A 33 11.665 0.051 50.930 1.00 12.74 O
+ATOM 267 CB PHE A 33 9.009 -0.926 50.161 1.00 11.00 C
+ATOM 268 CG PHE A 33 7.605 -1.365 50.494 1.00 11.51 C
+ATOM 269 CD1 PHE A 33 7.023 -2.439 49.833 1.00 12.08 C
+ATOM 270 CD2 PHE A 33 6.893 -0.742 51.511 1.00 10.00 C
+ATOM 271 CE1 PHE A 33 5.760 -2.881 50.188 1.00 12.13 C
+ATOM 272 CE2 PHE A 33 5.634 -1.176 51.868 1.00 10.02 C
+ATOM 273 CZ PHE A 33 5.066 -2.245 51.211 1.00 10.41 C
+ATOM 274 N GLN A 34 12.368 -1.952 50.216 1.00 11.39 N
+ATOM 275 CA GLN A 34 13.746 -1.519 50.021 1.00 11.08 C
+ATOM 276 C GLN A 34 14.136 -1.174 48.597 1.00 11.44 C
+ATOM 277 O GLN A 34 13.703 -1.824 47.646 1.00 12.04 O
+ATOM 278 CB GLN A 34 14.697 -2.600 50.528 1.00 10.78 C
+ATOM 279 CG GLN A 34 16.149 -2.167 50.544 1.00 12.17 C
+ATOM 280 CD GLN A 34 17.060 -3.235 51.091 1.00 12.90 C
+ATOM 281 OE1 GLN A 34 17.055 -4.366 50.616 1.00 13.76 O
+ATOM 282 NE2 GLN A 34 17.845 -2.887 52.099 1.00 12.16 N
+ATOM 283 N CYS A 35 14.957 -0.138 48.463 1.00 10.15 N
+ATOM 284 CA CYS A 35 15.483 0.273 47.171 1.00 9.69 C
+ATOM 285 C CYS A 35 16.701 -0.617 46.884 1.00 9.62 C
+ATOM 286 O CYS A 35 17.682 -0.599 47.634 1.00 10.54 O
+ATOM 287 CB CYS A 35 15.931 1.733 47.220 1.00 9.82 C
+ATOM 288 SG CYS A 35 16.729 2.269 45.698 1.00 10.27 S
+ATOM 289 N ARG A 36 16.661 -1.373 45.794 1.00 10.42 N
+ATOM 290 CA ARG A 36 17.782 -2.253 45.476 1.00 11.36 C
+ATOM 291 C ARG A 36 19.025 -1.499 45.007 1.00 11.75 C
+ATOM 292 O ARG A 36 20.110 -2.076 44.926 1.00 12.54 O
+ATOM 293 CB ARG A 36 17.382 -3.278 44.416 1.00 11.86 C
+ATOM 294 CG ARG A 36 17.274 -2.686 43.022 1.00 15.48 C
+ATOM 295 CD ARG A 36 17.210 -3.762 41.959 1.00 16.72 C
+ATOM 296 NE ARG A 36 16.017 -4.588 42.093 1.00 16.66 N
+ATOM 297 CZ ARG A 36 15.773 -5.673 41.369 1.00 16.88 C
+ATOM 298 NH1 ARG A 36 16.643 -6.076 40.454 1.00 15.44 N
+ATOM 299 NH2 ARG A 36 14.643 -6.347 41.552 1.00 18.19 N
+ATOM 300 N ILE A 37 18.875 -0.215 44.693 1.00 11.21 N
+ATOM 301 CA ILE A 37 20.013 0.566 44.223 1.00 10.16 C
+ATOM 302 C ILE A 37 20.863 1.130 45.372 1.00 11.53 C
+ATOM 303 O ILE A 37 22.089 0.984 45.367 1.00 12.54 O
+ATOM 304 CB AILE A 37 19.551 1.732 43.318 0.50 8.65 C
+ATOM 306 CG1AILE A 37 18.587 1.226 42.236 0.50 7.78 C
+ATOM 308 CG2AILE A 37 20.750 2.418 42.681 0.50 8.71 C
+ATOM 310 CD1AILE A 37 19.154 0.165 41.332 0.50 4.15 C
+ATOM 312 N CYS A 42 20.228 1.769 46.353 1.00 11.73 N
+ATOM 313 CA CYS A 42 20.965 2.349 47.477 1.00 11.58 C
+ATOM 314 C CYS A 42 20.704 1.650 48.818 1.00 12.80 C
+ATOM 315 O CYS A 42 21.320 2.000 49.836 1.00 13.69 O
+ATOM 316 CB CYS A 42 20.662 3.841 47.599 1.00 11.34 C
+ATOM 317 SG CYS A 42 19.004 4.184 48.252 1.00 10.95 S
+ATOM 318 N MET A 43 19.815 0.656 48.800 1.00 13.23 N
+ATOM 319 CA MET A 43 19.441 -0.152 49.966 1.00 14.92 C
+ATOM 320 C MET A 43 18.603 0.552 51.049 1.00 14.11 C
+ATOM 321 O MET A 43 18.342 -0.023 52.112 1.00 13.19 O
+ATOM 322 CB MET A 43 20.666 -0.850 50.590 1.00 19.37 C
+ATOM 323 CG MET A 43 21.466 -1.763 49.633 1.00 25.99 C
+ATOM 324 SD MET A 43 22.463 -0.920 48.319 1.00 37.52 S
+ATOM 325 CE MET A 43 24.119 -0.906 49.044 1.00 32.88 C
+ATOM 326 N ARG A 44 18.167 1.783 50.783 1.00 12.41 N
+ATOM 327 CA ARG A 44 17.347 2.511 51.752 1.00 11.14 C
+ATOM 328 C ARG A 44 15.976 1.841 51.842 1.00 11.41 C
+ATOM 329 O ARG A 44 15.486 1.293 50.856 1.00 12.34 O
+ATOM 330 CB ARG A 44 17.195 3.984 51.342 1.00 11.53 C
+ATOM 331 CG ARG A 44 16.352 4.828 52.303 1.00 10.69 C
+ATOM 332 CD ARG A 44 16.417 6.313 51.957 1.00 11.72 C
+ATOM 333 NE ARG A 44 15.649 7.108 52.914 1.00 12.51 N
+ATOM 334 CZ ARG A 44 15.723 8.429 53.052 1.00 12.00 C
+ATOM 335 NH1 ARG A 44 16.535 9.154 52.294 1.00 11.27 N
+ATOM 336 NH2 ARG A 44 14.984 9.023 53.974 1.00 13.64 N
+ATOM 337 N ASN A 45 15.366 1.888 53.024 1.00 10.82 N
+ATOM 338 CA ASN A 45 14.051 1.284 53.253 1.00 11.06 C
+ATOM 339 C ASN A 45 12.967 2.354 53.384 1.00 10.61 C
+ATOM 340 O ASN A 45 13.216 3.446 53.903 1.00 10.65 O
+ATOM 341 CB ASN A 45 14.096 0.396 54.505 1.00 11.97 C
+ATOM 342 CG ASN A 45 15.215 -0.632 54.435 1.00 13.44 C
+ATOM 343 OD1 ASN A 45 15.158 -1.560 53.632 1.00 14.38 O
+ATOM 344 ND2 ASN A 45 16.266 -0.436 55.236 1.00 15.78 N
+ATOM 345 N PHE A 46 11.767 2.024 52.913 1.00 8.49 N
+ATOM 346 CA PHE A 46 10.632 2.939 52.933 1.00 9.24 C
+ATOM 347 C PHE A 46 9.375 2.286 53.513 1.00 9.21 C
+ATOM 348 O PHE A 46 9.160 1.067 53.394 1.00 8.91 O
+ATOM 349 CB PHE A 46 10.348 3.442 51.505 1.00 10.08 C
+ATOM 350 CG PHE A 46 11.516 4.158 50.873 1.00 9.52 C
+ATOM 351 CD1 PHE A 46 12.557 3.437 50.283 1.00 9.40 C
+ATOM 352 CD2 PHE A 46 11.616 5.550 50.942 1.00 10.04 C
+ATOM 353 CE1 PHE A 46 13.686 4.101 49.780 1.00 10.55 C
+ATOM 354 CE2 PHE A 46 12.735 6.220 50.445 1.00 9.27 C
+ATOM 355 CZ PHE A 46 13.769 5.495 49.868 1.00 10.08 C
+ATOM 356 N SER A 47 8.531 3.116 54.114 1.00 9.40 N
+ATOM 357 CA SER A 47 7.287 2.653 54.718 1.00 9.70 C
+ATOM 358 C SER A 47 6.234 2.231 53.695 1.00 10.82 C
+ATOM 359 O SER A 47 5.389 1.382 54.001 1.00 12.28 O
+ATOM 360 CB SER A 47 6.691 3.750 55.607 1.00 10.40 C
+ATOM 361 OG SER A 47 6.384 4.918 54.855 1.00 9.80 O
+ATOM 362 N ARG A 48 6.279 2.815 52.494 1.00 9.15 N
+ATOM 363 CA ARG A 48 5.281 2.525 51.459 1.00 9.52 C
+ATOM 364 C ARG A 48 5.842 2.215 50.066 1.00 9.25 C
+ATOM 365 O ARG A 48 6.884 2.741 49.671 1.00 8.52 O
+ATOM 366 CB ARG A 48 4.306 3.703 51.368 1.00 9.86 C
+ATOM 367 CG ARG A 48 3.454 3.897 52.621 1.00 9.00 C
+ATOM 368 CD ARG A 48 3.013 5.337 52.802 1.00 9.22 C
+ATOM 369 NE ARG A 48 2.373 5.895 51.609 1.00 9.00 N
+ATOM 370 CZ ARG A 48 1.478 6.876 51.633 1.00 8.32 C
+ATOM 371 NH1 ARG A 48 1.093 7.413 52.785 1.00 7.71 N
+ATOM 372 NH2 ARG A 48 1.007 7.362 50.502 1.00 8.63 N
+ATOM 373 N SER A 49 5.122 1.382 49.312 1.00 8.59 N
+ATOM 374 CA SER A 49 5.560 1.007 47.977 1.00 9.47 C
+ATOM 375 C SER A 49 5.456 2.167 46.994 1.00 9.32 C
+ATOM 376 O SER A 49 6.285 2.293 46.087 1.00 8.66 O
+ATOM 377 CB SER A 49 4.779 -0.205 47.450 1.00 9.56 C
+ATOM 378 OG SER A 49 3.409 0.097 47.295 1.00 9.84 O
+ATOM 379 N ASP A 50 4.459 3.023 47.181 1.00 8.87 N
+ATOM 380 CA ASP A 50 4.308 4.148 46.277 1.00 8.87 C
+ATOM 381 C ASP A 50 5.497 5.107 46.378 1.00 8.89 C
+ATOM 382 O ASP A 50 6.043 5.530 45.357 1.00 8.72 O
+ATOM 383 CB ASP A 50 2.940 4.853 46.451 1.00 9.73 C
+ATOM 384 CG ASP A 50 2.782 5.588 47.780 1.00 10.10 C
+ATOM 385 OD1 ASP A 50 3.441 5.246 48.776 1.00 10.85 O
+ATOM 386 OD2 ASP A 50 1.953 6.516 47.828 1.00 8.72 O
+ATOM 387 N HIS A 51 5.958 5.357 47.604 1.00 9.29 N
+ATOM 388 CA HIS A 51 7.088 6.257 47.840 1.00 8.41 C
+ATOM 389 C HIS A 51 8.417 5.655 47.395 1.00 9.09 C
+ATOM 390 O HIS A 51 9.345 6.391 47.050 1.00 9.27 O
+ATOM 391 CB HIS A 51 7.130 6.677 49.297 1.00 8.79 C
+ATOM 392 CG HIS A 51 5.964 7.519 49.704 1.00 8.59 C
+ATOM 393 ND1 HIS A 51 5.277 8.313 48.809 1.00 9.68 N
+ATOM 394 CD2 HIS A 51 5.367 7.701 50.905 1.00 8.91 C
+ATOM 395 CE1 HIS A 51 4.308 8.950 49.442 1.00 11.33 C
+ATOM 396 NE2 HIS A 51 4.341 8.594 50.716 1.00 9.07 N
+ATOM 397 N LEU A 52 8.517 4.323 47.420 1.00 7.86 N
+ATOM 398 CA LEU A 52 9.732 3.660 46.945 1.00 7.62 C
+ATOM 399 C LEU A 52 9.852 3.893 45.423 1.00 7.77 C
+ATOM 400 O LEU A 52 10.931 4.214 44.924 1.00 7.36 O
+ATOM 401 CB LEU A 52 9.706 2.154 47.254 1.00 8.05 C
+ATOM 402 CG LEU A 52 10.767 1.286 46.543 1.00 9.25 C
+ATOM 403 CD1 LEU A 52 12.162 1.758 46.917 1.00 8.21 C
+ATOM 404 CD2 LEU A 52 10.598 -0.183 46.875 1.00 9.41 C
+ATOM 405 N THR A 53 8.747 3.739 44.692 1.00 7.55 N
+ATOM 406 CA THR A 53 8.755 3.945 43.242 1.00 7.85 C
+ATOM 407 C THR A 53 9.247 5.346 42.854 1.00 8.06 C
+ATOM 408 O THR A 53 10.141 5.480 42.023 1.00 8.53 O
+ATOM 409 CB THR A 53 7.356 3.700 42.630 1.00 8.63 C
+ATOM 410 OG1 THR A 53 6.978 2.342 42.867 1.00 9.39 O
+ATOM 411 CG2 THR A 53 7.358 3.959 41.121 1.00 9.00 C
+ATOM 412 N THR A 54 8.693 6.395 43.463 1.00 8.24 N
+ATOM 413 CA THR A 54 9.141 7.741 43.111 1.00 8.12 C
+ATOM 414 C THR A 54 10.588 7.995 43.536 1.00 8.60 C
+ATOM 415 O THR A 54 11.324 8.707 42.847 1.00 8.53 O
+ATOM 416 CB THR A 54 8.184 8.839 43.632 1.00 8.68 C
+ATOM 417 OG1 THR A 54 7.998 8.703 45.041 1.00 9.42 O
+ATOM 418 CG2 THR A 54 6.824 8.737 42.923 1.00 9.28 C
+ATOM 419 N HIS A 55 11.005 7.390 44.651 1.00 8.48 N
+ATOM 420 CA HIS A 55 12.378 7.515 45.127 1.00 8.04 C
+ATOM 421 C HIS A 55 13.335 6.925 44.094 1.00 9.09 C
+ATOM 422 O HIS A 55 14.405 7.488 43.843 1.00 8.74 O
+ATOM 423 CB HIS A 55 12.578 6.769 46.448 1.00 8.37 C
+ATOM 424 CG HIS A 55 14.018 6.469 46.755 1.00 8.50 C
+ATOM 425 ND1 HIS A 55 14.896 7.424 47.218 1.00 8.21 N
+ATOM 426 CD2 HIS A 55 14.744 5.333 46.609 1.00 9.15 C
+ATOM 427 CE1 HIS A 55 16.102 6.895 47.335 1.00 9.21 C
+ATOM 428 NE2 HIS A 55 16.038 5.627 46.972 1.00 9.25 N
+ATOM 429 N ILE A 56 12.963 5.780 43.516 1.00 8.86 N
+ATOM 430 CA ILE A 56 13.819 5.118 42.530 1.00 9.14 C
+ATOM 431 C ILE A 56 14.122 6.003 41.321 1.00 9.36 C
+ATOM 432 O ILE A 56 15.201 5.900 40.735 1.00 9.17 O
+ATOM 433 CB ILE A 56 13.250 3.728 42.123 1.00 9.93 C
+ATOM 434 CG1 ILE A 56 13.352 2.774 43.324 1.00 9.80 C
+ATOM 435 CG2 ILE A 56 14.025 3.143 40.925 1.00 10.02 C
+ATOM 436 CD1 ILE A 56 12.606 1.460 43.149 1.00 11.62 C
+ATOM 437 N ARG A 57 13.203 6.918 40.998 1.00 9.99 N
+ATOM 438 CA ARG A 57 13.395 7.840 39.869 1.00 10.80 C
+ATOM 439 C ARG A 57 14.538 8.819 40.122 1.00 9.91 C
+ATOM 440 O ARG A 57 15.060 9.421 39.186 1.00 11.67 O
+ATOM 441 CB ARG A 57 12.104 8.604 39.550 1.00 10.77 C
+ATOM 442 CG ARG A 57 10.954 7.704 39.146 1.00 11.05 C
+ATOM 443 CD ARG A 57 9.764 8.472 38.572 1.00 11.95 C
+ATOM 444 NE ARG A 57 8.697 7.532 38.277 1.00 12.79 N
+ATOM 445 CZ ARG A 57 7.397 7.748 38.478 1.00 13.83 C
+ATOM 446 NH1 ARG A 57 6.959 8.909 38.961 1.00 11.80 N
+ATOM 447 NH2 ARG A 57 6.544 6.742 38.315 1.00 12.83 N
+ATOM 448 N THR A 58 14.919 8.998 41.383 1.00 10.15 N
+ATOM 449 CA THR A 58 16.025 9.895 41.700 1.00 11.04 C
+ATOM 450 C THR A 58 17.331 9.247 41.222 1.00 12.05 C
+ATOM 451 O THR A 58 18.316 9.937 40.988 1.00 13.34 O
+ATOM 452 CB THR A 58 16.125 10.234 43.211 1.00 10.83 C
+ATOM 453 OG1 THR A 58 16.564 9.092 43.951 1.00 13.27 O
+ATOM 454 CG2 THR A 58 14.780 10.706 43.743 1.00 11.93 C
+ATOM 455 N HIS A 59 17.324 7.921 41.097 1.00 10.81 N
+ATOM 456 CA HIS A 59 18.489 7.164 40.637 1.00 11.48 C
+ATOM 457 C HIS A 59 18.504 7.020 39.108 1.00 11.01 C
+ATOM 458 O HIS A 59 19.558 7.105 38.476 1.00 12.23 O
+ATOM 459 CB HIS A 59 18.478 5.749 41.225 1.00 11.35 C
+ATOM 460 CG HIS A 59 18.591 5.695 42.712 1.00 11.87 C
+ATOM 461 ND1 HIS A 59 19.577 6.356 43.413 1.00 10.47 N
+ATOM 462 CD2 HIS A 59 17.871 5.011 43.631 1.00 10.86 C
+ATOM 463 CE1 HIS A 59 19.461 6.080 44.699 1.00 11.03 C
+ATOM 464 NE2 HIS A 59 18.434 5.264 44.859 1.00 10.97 N
+ATOM 465 N THR A 60 17.341 6.744 38.524 1.00 11.38 N
+ATOM 466 CA THR A 60 17.246 6.544 37.085 1.00 11.39 C
+ATOM 467 C THR A 60 17.123 7.829 36.266 1.00 11.26 C
+ATOM 468 O THR A 60 17.507 7.855 35.102 1.00 11.80 O
+ATOM 469 CB THR A 60 16.075 5.605 36.735 1.00 11.92 C
+ATOM 470 OG1 THR A 60 14.845 6.195 37.179 1.00 13.14 O
+ATOM 471 CG2 THR A 60 16.259 4.231 37.408 1.00 11.58 C
+ATOM 472 N GLY A 61 16.628 8.896 36.882 1.00 11.05 N
+ATOM 473 CA GLY A 61 16.450 10.142 36.163 1.00 10.96 C
+ATOM 474 C GLY A 61 15.141 10.170 35.386 1.00 11.24 C
+ATOM 475 O GLY A 61 14.929 11.062 34.568 1.00 11.80 O
+ATOM 476 N GLU A 62 14.266 9.196 35.629 1.00 10.81 N
+ATOM 477 CA GLU A 62 12.964 9.133 34.959 1.00 11.22 C
+ATOM 478 C GLU A 62 12.092 10.302 35.434 1.00 11.14 C
+ATOM 479 O GLU A 62 11.885 10.492 36.630 1.00 11.43 O
+ATOM 480 CB GLU A 62 12.274 7.804 35.270 1.00 12.89 C
+ATOM 481 CG GLU A 62 10.961 7.594 34.530 1.00 17.00 C
+ATOM 482 CD GLU A 62 10.154 6.410 35.060 1.00 20.61 C
+ATOM 483 OE1 GLU A 62 10.554 5.793 36.069 1.00 22.50 O
+ATOM 484 OE2 GLU A 62 9.096 6.102 34.470 1.00 24.61 O
+ATOM 485 N LYS A 63 11.617 11.100 34.484 1.00 10.25 N
+ATOM 486 CA LYS A 63 10.793 12.271 34.778 1.00 10.15 C
+ATOM 487 C LYS A 63 9.630 12.273 33.793 1.00 10.32 C
+ATOM 488 O LYS A 63 9.675 12.943 32.763 1.00 9.82 O
+ATOM 489 CB LYS A 63 11.639 13.537 34.632 1.00 10.40 C
+ATOM 490 CG LYS A 63 12.750 13.617 35.653 1.00 11.24 C
+ATOM 491 CD LYS A 63 13.527 14.880 35.510 1.00 12.51 C
+ATOM 492 CE LYS A 63 14.647 14.946 36.523 1.00 15.11 C
+ATOM 493 NZ LYS A 63 15.457 16.178 36.312 1.00 16.70 N
+ATOM 494 N PRO A 64 8.545 11.555 34.135 1.00 9.85 N
+ATOM 495 CA PRO A 64 7.339 11.416 33.308 1.00 9.61 C
+ATOM 496 C PRO A 64 6.407 12.607 33.168 1.00 9.89 C
+ATOM 497 O PRO A 64 5.533 12.593 32.307 1.00 10.62 O
+ATOM 498 CB PRO A 64 6.582 10.273 33.997 1.00 10.51 C
+ATOM 499 CG PRO A 64 7.608 9.632 34.949 1.00 8.85 C
+ATOM 500 CD PRO A 64 8.394 10.810 35.397 1.00 9.63 C
+ATOM 501 N PHE A 65 6.597 13.636 33.986 1.00 9.14 N
+ATOM 502 CA PHE A 65 5.680 14.773 33.986 1.00 8.84 C
+ATOM 503 C PHE A 65 6.245 16.097 33.479 1.00 8.38 C
+ATOM 504 O PHE A 65 6.954 16.795 34.189 1.00 9.27 O
+ATOM 505 CB PHE A 65 5.078 14.907 35.390 1.00 9.30 C
+ATOM 506 CG PHE A 65 4.556 13.603 35.940 1.00 10.07 C
+ATOM 507 CD1 PHE A 65 3.313 13.120 35.546 1.00 10.85 C
+ATOM 508 CD2 PHE A 65 5.339 12.821 36.788 1.00 10.04 C
+ATOM 509 CE1 PHE A 65 2.857 11.870 35.982 1.00 12.60 C
+ATOM 510 CE2 PHE A 65 4.894 11.575 37.229 1.00 10.10 C
+ATOM 511 CZ PHE A 65 3.654 11.098 36.826 1.00 11.15 C
+ATOM 512 N ALA A 66 5.864 16.450 32.255 1.00 8.40 N
+ATOM 513 CA ALA A 66 6.340 17.663 31.598 1.00 8.00 C
+ATOM 514 C ALA A 66 5.373 18.838 31.680 1.00 8.18 C
+ATOM 515 O ALA A 66 4.170 18.692 31.434 1.00 7.86 O
+ATOM 516 CB ALA A 66 6.674 17.368 30.128 1.00 9.31 C
+ATOM 517 N CYS A 67 5.920 20.010 31.982 1.00 7.53 N
+ATOM 518 CA CYS A 67 5.128 21.225 32.080 1.00 7.10 C
+ATOM 519 C CYS A 67 4.508 21.550 30.727 1.00 7.51 C
+ATOM 520 O CYS A 67 5.176 21.495 29.696 1.00 7.14 O
+ATOM 521 CB CYS A 67 6.003 22.388 32.531 1.00 8.53 C
+ATOM 522 SG CYS A 67 5.147 23.965 32.565 1.00 8.51 S
+ATOM 523 N ASP A 68 3.209 21.829 30.729 1.00 7.13 N
+ATOM 524 CA ASP A 68 2.495 22.162 29.499 1.00 8.60 C
+ATOM 525 C ASP A 68 2.979 23.473 28.868 1.00 8.89 C
+ATOM 526 O ASP A 68 2.856 23.668 27.663 1.00 10.47 O
+ATOM 527 CB ASP A 68 0.990 22.291 29.774 1.00 7.76 C
+ATOM 528 CG ASP A 68 0.291 20.950 29.932 1.00 7.44 C
+ATOM 529 OD1 ASP A 68 0.796 19.921 29.449 1.00 7.95 O
+ATOM 530 OD2 ASP A 68 -0.800 20.932 30.525 1.00 7.82 O
+ATOM 531 N ILE A 69 3.517 24.370 29.688 1.00 8.90 N
+ATOM 532 CA ILE A 69 3.966 25.659 29.189 1.00 8.10 C
+ATOM 533 C ILE A 69 5.371 25.658 28.643 1.00 8.36 C
+ATOM 534 O ILE A 69 5.591 26.108 27.522 1.00 9.00 O
+ATOM 535 CB ILE A 69 3.862 26.755 30.271 1.00 8.18 C
+ATOM 536 CG1 ILE A 69 2.422 26.855 30.800 1.00 9.31 C
+ATOM 537 CG2 ILE A 69 4.341 28.105 29.718 1.00 7.83 C
+ATOM 538 CD1 ILE A 69 1.401 27.330 29.770 1.00 9.64 C
+ATOM 539 N CYS A 70 6.318 25.143 29.427 1.00 8.87 N
+ATOM 540 CA CYS A 70 7.730 25.160 29.023 1.00 8.80 C
+ATOM 541 C CYS A 70 8.404 23.819 28.736 1.00 9.20 C
+ATOM 542 O CYS A 70 9.574 23.798 28.341 1.00 9.66 O
+ATOM 543 CB CYS A 70 8.563 25.907 30.069 1.00 8.22 C
+ATOM 544 SG CYS A 70 8.855 24.963 31.587 1.00 9.66 S
+ATOM 545 N GLY A 71 7.709 22.715 29.002 1.00 8.68 N
+ATOM 546 CA GLY A 71 8.274 21.402 28.753 1.00 8.36 C
+ATOM 547 C GLY A 71 9.180 20.845 29.837 1.00 8.05 C
+ATOM 548 O GLY A 71 9.627 19.706 29.721 1.00 9.71 O
+ATOM 549 N ARG A 72 9.457 21.611 30.889 1.00 7.91 N
+ATOM 550 CA ARG A 72 10.333 21.119 31.959 1.00 9.02 C
+ATOM 551 C ARG A 72 9.746 19.855 32.574 1.00 9.46 C
+ATOM 552 O ARG A 72 8.559 19.823 32.907 1.00 10.08 O
+ATOM 553 CB ARG A 72 10.537 22.179 33.036 1.00 7.77 C
+ATOM 554 CG ARG A 72 11.550 21.747 34.053 1.00 10.72 C
+ATOM 555 CD ARG A 72 11.998 22.888 34.914 1.00 12.85 C
+ATOM 556 NE ARG A 72 12.989 22.426 35.871 1.00 15.30 N
+ATOM 557 CZ ARG A 72 13.584 23.201 36.766 1.00 17.47 C
+ATOM 558 NH1 ARG A 72 13.285 24.491 36.832 1.00 18.29 N
+ATOM 559 NH2 ARG A 72 14.498 22.688 37.580 1.00 18.64 N
+ATOM 560 N LYS A 73 10.583 18.826 32.727 1.00 9.24 N
+ATOM 561 CA LYS A 73 10.143 17.533 33.259 1.00 9.38 C
+ATOM 562 C LYS A 73 10.423 17.311 34.735 1.00 8.32 C
+ATOM 563 O LYS A 73 11.455 17.731 35.247 1.00 9.01 O
+ATOM 564 CB LYS A 73 10.779 16.396 32.460 1.00 10.74 C
+ATOM 565 CG LYS A 73 10.326 16.308 31.011 1.00 13.85 C
+ATOM 566 CD LYS A 73 11.110 15.245 30.268 1.00 17.12 C
+ATOM 567 CE LYS A 73 10.674 15.166 28.822 1.00 21.45 C
+ATOM 568 NZ LYS A 73 11.646 14.404 27.990 1.00 25.10 N
+ATOM 569 N PHE A 74 9.532 16.565 35.387 1.00 8.22 N
+ATOM 570 CA PHE A 74 9.648 16.253 36.809 1.00 7.72 C
+ATOM 571 C PHE A 74 9.354 14.779 37.075 1.00 8.44 C
+ATOM 572 O PHE A 74 8.614 14.131 36.331 1.00 7.82 O
+ATOM 573 CB PHE A 74 8.681 17.121 37.629 1.00 7.34 C
+ATOM 574 CG PHE A 74 8.913 18.602 37.467 1.00 8.09 C
+ATOM 575 CD1 PHE A 74 8.289 19.317 36.439 1.00 8.26 C
+ATOM 576 CD2 PHE A 74 9.798 19.273 38.302 1.00 7.78 C
+ATOM 577 CE1 PHE A 74 8.556 20.668 36.254 1.00 7.05 C
+ATOM 578 CE2 PHE A 74 10.066 20.625 38.115 1.00 6.68 C
+ATOM 579 CZ PHE A 74 9.450 21.312 37.099 1.00 7.51 C
+ATOM 580 N ALA A 75 9.921 14.265 38.163 1.00 8.17 N
+ATOM 581 CA ALA A 75 9.732 12.867 38.545 1.00 8.42 C
+ATOM 582 C ALA A 75 8.335 12.596 39.079 1.00 9.37 C
+ATOM 583 O ALA A 75 7.815 11.489 38.919 1.00 10.01 O
+ATOM 584 CB ALA A 75 10.788 12.458 39.589 1.00 8.46 C
+ATOM 585 N ARG A 76 7.730 13.598 39.725 1.00 9.36 N
+ATOM 586 CA ARG A 76 6.394 13.440 40.303 1.00 9.18 C
+ATOM 587 C ARG A 76 5.390 14.438 39.768 1.00 8.73 C
+ATOM 588 O ARG A 76 5.746 15.575 39.439 1.00 8.56 O
+ATOM 589 CB ARG A 76 6.442 13.557 41.828 1.00 9.20 C
+ATOM 590 CG ARG A 76 7.446 12.638 42.509 1.00 10.44 C
+ATOM 591 CD ARG A 76 7.053 12.378 43.954 1.00 11.01 C
+ATOM 592 NE ARG A 76 6.786 13.616 44.688 1.00 9.68 N
+ATOM 593 CZ ARG A 76 7.409 13.987 45.802 1.00 10.37 C
+ATOM 594 NH1 ARG A 76 8.363 13.230 46.333 1.00 9.88 N
+ATOM 595 NH2 ARG A 76 7.016 15.085 46.434 1.00 10.22 N
+ATOM 596 N SER A 77 4.126 14.021 39.717 1.00 8.28 N
+ATOM 597 CA SER A 77 3.049 14.883 39.215 1.00 9.30 C
+ATOM 598 C SER A 77 2.862 16.126 40.096 1.00 8.96 C
+ATOM 599 O SER A 77 2.559 17.207 39.594 1.00 9.37 O
+ATOM 600 CB SER A 77 1.721 14.116 39.124 1.00 8.49 C
+ATOM 601 OG SER A 77 1.280 13.731 40.415 1.00 9.90 O
+ATOM 602 N ASP A 78 3.027 15.965 41.407 1.00 8.92 N
+ATOM 603 CA ASP A 78 2.871 17.100 42.314 1.00 9.19 C
+ATOM 604 C ASP A 78 4.001 18.129 42.157 1.00 8.71 C
+ATOM 605 O ASP A 78 3.796 19.311 42.434 1.00 8.79 O
+ATOM 606 CB ASP A 78 2.703 16.646 43.769 1.00 9.15 C
+ATOM 607 CG ASP A 78 3.909 15.912 44.295 1.00 9.33 C
+ATOM 608 OD1 ASP A 78 4.167 14.788 43.826 1.00 11.16 O
+ATOM 609 OD2 ASP A 78 4.601 16.456 45.176 1.00 10.76 O
+ATOM 610 N GLU A 79 5.182 17.681 41.722 1.00 8.15 N
+ATOM 611 CA GLU A 79 6.298 18.596 41.480 1.00 9.54 C
+ATOM 612 C GLU A 79 5.920 19.453 40.278 1.00 8.80 C
+ATOM 613 O GLU A 79 6.077 20.670 40.303 1.00 8.78 O
+ATOM 614 CB GLU A 79 7.575 17.846 41.123 1.00 12.67 C
+ATOM 615 CG GLU A 79 8.294 17.170 42.252 1.00 17.42 C
+ATOM 616 CD GLU A 79 9.501 16.426 41.733 1.00 19.82 C
+ATOM 617 OE1 GLU A 79 10.573 17.047 41.567 1.00 22.46 O
+ATOM 618 OE2 GLU A 79 9.362 15.233 41.424 1.00 21.38 O
+ATOM 619 N ARG A 80 5.441 18.807 39.213 1.00 8.97 N
+ATOM 620 CA ARG A 80 5.031 19.545 38.022 1.00 8.63 C
+ATOM 621 C ARG A 80 3.925 20.523 38.400 1.00 8.14 C
+ATOM 622 O ARG A 80 3.950 21.672 37.984 1.00 8.97 O
+ATOM 623 CB ARG A 80 4.536 18.613 36.922 1.00 8.73 C
+ATOM 624 CG ARG A 80 4.247 19.348 35.609 1.00 11.51 C
+ATOM 625 CD ARG A 80 3.229 18.585 34.784 1.00 14.44 C
+ATOM 626 NE ARG A 80 2.020 18.432 35.579 1.00 19.65 N
+ATOM 627 CZ ARG A 80 1.264 17.343 35.641 1.00 21.69 C
+ATOM 628 NH1 ARG A 80 1.558 16.265 34.915 1.00 20.75 N
+ATOM 629 NH2 ARG A 80 0.294 17.292 36.555 1.00 21.50 N
+ATOM 630 N LYS A 81 2.976 20.074 39.221 1.00 8.73 N
+ATOM 631 CA LYS A 81 1.860 20.924 39.663 1.00 9.19 C
+ATOM 632 C LYS A 81 2.338 22.185 40.389 1.00 9.08 C
+ATOM 633 O LYS A 81 1.822 23.275 40.149 1.00 9.03 O
+ATOM 634 CB LYS A 81 0.918 20.132 40.567 1.00 8.89 C
+ATOM 635 CG LYS A 81 -0.360 20.858 40.956 1.00 11.12 C
+ATOM 636 CD LYS A 81 -1.281 19.859 41.616 1.00 14.11 C
+ATOM 637 CE LYS A 81 -2.591 20.440 42.001 1.00 16.78 C
+ATOM 638 NZ LYS A 81 -3.355 19.333 42.638 1.00 18.70 N
+ATOM 639 N ARG A 82 3.335 22.031 41.261 1.00 8.46 N
+ATOM 640 CA ARG A 82 3.889 23.167 42.003 1.00 8.58 C
+ATOM 641 C ARG A 82 4.628 24.111 41.045 1.00 8.47 C
+ATOM 642 O ARG A 82 4.679 25.325 41.269 1.00 8.36 O
+ATOM 643 CB ARG A 82 4.840 22.667 43.098 1.00 9.11 C
+ATOM 644 CG ARG A 82 5.394 23.751 44.009 1.00 8.76 C
+ATOM 645 CD ARG A 82 6.322 23.151 45.055 1.00 8.62 C
+ATOM 646 NE ARG A 82 7.501 22.507 44.467 1.00 9.28 N
+ATOM 647 CZ ARG A 82 8.511 21.991 45.170 1.00 8.81 C
+ATOM 648 NH1 ARG A 82 8.496 22.026 46.499 1.00 7.66 N
+ATOM 649 NH2 ARG A 82 9.567 21.492 44.543 1.00 8.95 N
+ATOM 650 N HIS A 83 5.170 23.543 39.968 1.00 7.87 N
+ATOM 651 CA HIS A 83 5.902 24.307 38.958 1.00 7.70 C
+ATOM 652 C HIS A 83 5.046 25.118 37.975 1.00 7.25 C
+ATOM 653 O HIS A 83 5.340 26.284 37.715 1.00 7.49 O
+ATOM 654 CB HIS A 83 6.833 23.374 38.157 1.00 7.48 C
+ATOM 655 CG HIS A 83 7.357 23.980 36.886 1.00 7.16 C
+ATOM 656 ND1 HIS A 83 8.538 24.687 36.827 1.00 6.79 N
+ATOM 657 CD2 HIS A 83 6.840 24.014 35.634 1.00 7.86 C
+ATOM 658 CE1 HIS A 83 8.725 25.135 35.599 1.00 8.50 C
+ATOM 659 NE2 HIS A 83 7.708 24.741 34.855 1.00 8.49 N
+ATOM 660 N THR A 84 4.026 24.491 37.395 1.00 7.87 N
+ATOM 661 CA THR A 84 3.186 25.162 36.399 1.00 8.27 C
+ATOM 662 C THR A 84 2.707 26.560 36.793 1.00 9.63 C
+ATOM 663 O THR A 84 2.696 27.477 35.957 1.00 9.76 O
+ATOM 664 CB THR A 84 1.972 24.293 36.011 1.00 7.88 C
+ATOM 665 OG1 THR A 84 2.434 22.990 35.636 1.00 8.16 O
+ATOM 666 CG2 THR A 84 1.222 24.904 34.821 1.00 7.79 C
+ATOM 667 N LYS A 85 2.330 26.727 38.062 1.00 9.38 N
+ATOM 668 CA LYS A 85 1.844 28.018 38.540 1.00 9.82 C
+ATOM 669 C LYS A 85 2.858 29.165 38.473 1.00 9.75 C
+ATOM 670 O LYS A 85 2.474 30.336 38.561 1.00 9.69 O
+ATOM 671 CB LYS A 85 1.247 27.902 39.952 1.00 9.13 C
+ATOM 672 CG LYS A 85 2.182 27.379 41.030 1.00 10.79 C
+ATOM 673 CD LYS A 85 1.566 27.541 42.425 1.00 12.23 C
+ATOM 674 CE LYS A 85 2.383 26.833 43.506 1.00 14.56 C
+ATOM 675 NZ LYS A 85 3.823 27.248 43.490 1.00 14.20 N
+ATOM 676 N ILE A 86 4.143 28.859 38.293 1.00 9.30 N
+ATOM 677 CA ILE A 86 5.120 29.938 38.217 1.00 9.68 C
+ATOM 678 C ILE A 86 4.976 30.711 36.902 1.00 10.33 C
+ATOM 679 O ILE A 86 5.474 31.833 36.775 1.00 10.70 O
+ATOM 680 CB ILE A 86 6.589 29.449 38.405 1.00 10.63 C
+ATOM 681 CG1 ILE A 86 7.103 28.721 37.154 1.00 9.51 C
+ATOM 682 CG2 ILE A 86 6.704 28.602 39.671 1.00 9.28 C
+ATOM 683 CD1 ILE A 86 8.569 28.357 37.240 1.00 10.21 C
+ATOM 684 N HIS A 87 4.244 30.128 35.951 1.00 9.90 N
+ATOM 685 CA HIS A 87 4.015 30.745 34.646 1.00 10.83 C
+ATOM 686 C HIS A 87 2.871 31.739 34.669 1.00 12.81 C
+ATOM 687 O HIS A 87 2.540 32.364 33.649 1.00 14.18 O
+ATOM 688 CB HIS A 87 3.760 29.682 33.579 1.00 10.59 C
+ATOM 689 CG HIS A 87 4.934 28.783 33.332 1.00 9.80 C
+ATOM 690 ND1 HIS A 87 6.144 29.244 32.853 1.00 9.98 N
+ATOM 691 CD2 HIS A 87 5.081 27.445 33.485 1.00 8.86 C
+ATOM 692 CE1 HIS A 87 6.981 28.232 32.721 1.00 9.37 C
+ATOM 693 NE2 HIS A 87 6.360 27.127 33.097 1.00 7.87 N
+ATOM 694 N LEU A 88 2.204 31.863 35.822 1.00 14.18 N
+ATOM 695 CA LEU A 88 1.118 32.805 35.975 1.00 16.07 C
+ATOM 696 C LEU A 88 1.781 34.197 35.984 1.00 19.42 C
+ATOM 697 O LEU A 88 2.986 34.324 36.185 1.00 19.82 O
+ATOM 698 CB LEU A 88 0.298 32.540 37.253 1.00 13.72 C
+ATOM 699 CG LEU A 88 -0.491 31.216 37.280 1.00 13.20 C
+ATOM 700 CD1 LEU A 88 -1.275 31.180 38.579 1.00 13.82 C
+ATOM 701 CD2 LEU A 88 -1.435 31.077 36.073 1.00 13.14 C
+ATOM 702 N ARG A 89 0.942 35.207 35.868 1.00 21.79 N
+ATOM 703 CA ARG A 89 1.477 36.566 35.760 1.00 25.14 C
+ATOM 704 C ARG A 89 2.419 37.024 36.879 1.00 26.02 C
+ATOM 705 O ARG A 89 2.025 37.284 38.028 1.00 28.87 O
+ATOM 706 CB ARG A 89 0.384 37.610 35.442 1.00 27.37 C
+ATOM 707 CG ARG A 89 -0.370 38.038 36.647 1.00 30.94 C
+ATOM 708 CD ARG A 89 -1.445 39.035 36.227 1.00 34.54 C
+ATOM 709 NE ARG A 89 -2.058 39.780 37.334 1.00 38.62 N
+ATOM 710 CZ ARG A 89 -2.172 39.349 38.593 1.00 40.41 C
+ATOM 711 NH1 ARG A 89 -1.716 38.156 38.951 1.00 41.67 N
+ATOM 712 NH2 ARG A 89 -2.751 40.114 39.514 1.00 42.42 N
+TER 713 ARG A 89
+ATOM 714 O5* A B 1 11.824 24.015 41.220 1.00 13.65 O
+ATOM 715 C5* A B 1 13.058 24.521 40.718 1.00 11.82 C
+ATOM 716 C4* A B 1 14.226 23.792 41.338 1.00 12.48 C
+ATOM 717 O4* A B 1 14.346 24.165 42.732 1.00 12.87 O
+ATOM 718 C3* A B 1 14.098 22.270 41.315 1.00 13.01 C
+ATOM 719 O3* A B 1 15.356 21.670 41.018 1.00 14.19 O
+ATOM 720 C2* A B 1 13.660 21.922 42.726 1.00 11.92 C
+ATOM 721 C1* A B 1 14.314 23.010 43.557 1.00 12.02 C
+ATOM 722 N9 A B 1 13.562 23.347 44.766 1.00 10.70 N
+ATOM 723 C8 A B 1 13.957 23.172 46.066 1.00 10.59 C
+ATOM 724 N7 A B 1 13.069 23.561 46.945 1.00 10.40 N
+ATOM 725 C5 A B 1 12.015 24.026 46.175 1.00 9.39 C
+ATOM 726 C6 A B 1 10.760 24.564 46.514 1.00 8.88 C
+ATOM 727 N6 A B 1 10.343 24.731 47.771 1.00 8.18 N
+ATOM 728 N1 A B 1 9.939 24.928 45.504 1.00 9.20 N
+ATOM 729 C2 A B 1 10.359 24.753 44.243 1.00 9.70 C
+ATOM 730 N3 A B 1 11.513 24.256 43.799 1.00 10.34 N
+ATOM 731 C4 A B 1 12.306 23.905 44.827 1.00 10.76 C
+ATOM 732 P G B 2 15.396 20.196 40.384 1.00 18.95 P
+ATOM 733 O1P G B 2 16.685 20.051 39.662 1.00 18.62 O
+ATOM 734 O2P G B 2 14.115 19.958 39.663 1.00 18.26 O
+ATOM 735 O5* G B 2 15.423 19.243 41.658 1.00 16.52 O
+ATOM 736 C5* G B 2 16.627 19.082 42.416 1.00 15.32 C
+ATOM 737 C4* G B 2 16.418 18.093 43.537 1.00 14.44 C
+ATOM 738 O4* G B 2 15.647 18.687 44.607 1.00 14.21 O
+ATOM 739 C3* G B 2 15.694 16.802 43.157 1.00 14.49 C
+ATOM 740 O3* G B 2 16.367 15.719 43.797 1.00 16.29 O
+ATOM 741 C2* G B 2 14.298 16.996 43.731 1.00 13.41 C
+ATOM 742 C1* G B 2 14.586 17.821 44.972 1.00 11.95 C
+ATOM 743 N9 G B 2 13.495 18.651 45.472 1.00 10.15 N
+ATOM 744 C8 G B 2 12.551 19.326 44.736 1.00 9.53 C
+ATOM 745 N7 G B 2 11.734 20.028 45.474 1.00 9.19 N
+ATOM 746 C5 G B 2 12.159 19.794 46.776 1.00 8.52 C
+ATOM 747 C6 G B 2 11.665 20.294 48.011 1.00 7.73 C
+ATOM 748 O6 G B 2 10.725 21.071 48.208 1.00 9.19 O
+ATOM 749 N1 G B 2 12.392 19.802 49.091 1.00 8.96 N
+ATOM 750 C2 G B 2 13.459 18.939 48.997 1.00 8.82 C
+ATOM 751 N2 G B 2 14.037 18.578 50.155 1.00 8.48 N
+ATOM 752 N3 G B 2 13.926 18.466 47.854 1.00 8.07 N
+ATOM 753 C4 G B 2 13.235 18.934 46.791 1.00 9.13 C
+ATOM 754 P C B 3 15.916 14.208 43.513 1.00 16.63 P
+ATOM 755 O1P C B 3 17.142 13.376 43.620 1.00 18.41 O
+ATOM 756 O2P C B 3 15.093 14.153 42.279 1.00 16.95 O
+ATOM 757 O5* C B 3 14.973 13.888 44.752 1.00 12.00 O
+ATOM 758 C5* C B 3 15.460 14.065 46.083 1.00 11.37 C
+ATOM 759 C4* C B 3 14.334 13.913 47.078 1.00 10.34 C
+ATOM 760 O4* C B 3 13.514 15.107 47.173 1.00 10.38 O
+ATOM 761 C3* C B 3 13.368 12.755 46.800 1.00 9.64 C
+ATOM 762 O3* C B 3 13.043 12.150 48.048 1.00 8.81 O
+ATOM 763 C2* C B 3 12.120 13.472 46.317 1.00 10.62 C
+ATOM 764 C1* C B 3 12.183 14.643 47.268 1.00 10.05 C
+ATOM 765 N1 C B 3 11.253 15.767 47.073 1.00 10.07 N
+ATOM 766 C2 C B 3 10.990 16.600 48.165 1.00 9.87 C
+ATOM 767 O2 C B 3 11.629 16.425 49.216 1.00 10.33 O
+ATOM 768 N3 C B 3 10.057 17.569 48.049 1.00 9.02 N
+ATOM 769 C4 C B 3 9.410 17.737 46.896 1.00 9.91 C
+ATOM 770 N4 C B 3 8.466 18.678 46.846 1.00 9.28 N
+ATOM 771 C5 C B 3 9.695 16.938 45.746 1.00 9.59 C
+ATOM 772 C6 C B 3 10.618 15.973 45.878 1.00 10.01 C
+ATOM 773 P G B 4 12.975 10.556 48.179 1.00 9.05 P
+ATOM 774 O1P G B 4 14.299 9.991 47.831 1.00 10.49 O
+ATOM 775 O2P G B 4 11.760 10.065 47.476 1.00 9.09 O
+ATOM 776 O5* G B 4 12.750 10.373 49.741 1.00 9.35 O
+ATOM 777 C5* G B 4 13.667 10.955 50.684 1.00 8.84 C
+ATOM 778 C4* G B 4 12.927 11.396 51.922 1.00 8.57 C
+ATOM 779 O4* G B 4 12.199 12.624 51.675 1.00 9.40 O
+ATOM 780 C3* G B 4 11.898 10.379 52.413 1.00 9.36 C
+ATOM 781 O3* G B 4 11.948 10.292 53.834 1.00 10.25 O
+ATOM 782 C2* G B 4 10.572 10.954 51.942 1.00 8.60 C
+ATOM 783 C1* G B 4 10.822 12.454 51.987 1.00 8.52 C
+ATOM 784 N9 G B 4 10.044 13.226 51.019 1.00 8.11 N
+ATOM 785 C8 G B 4 10.170 13.201 49.651 1.00 7.03 C
+ATOM 786 N7 G B 4 9.332 13.997 49.044 1.00 7.57 N
+ATOM 787 C5 G B 4 8.608 14.585 50.072 1.00 7.45 C
+ATOM 788 C6 G B 4 7.552 15.532 50.026 1.00 7.61 C
+ATOM 789 O6 G B 4 7.036 16.062 49.035 1.00 9.28 O
+ATOM 790 N1 G B 4 7.095 15.855 51.301 1.00 8.46 N
+ATOM 791 C2 G B 4 7.594 15.335 52.472 1.00 9.49 C
+ATOM 792 N2 G B 4 7.024 15.772 53.606 1.00 9.46 N
+ATOM 793 N3 G B 4 8.580 14.452 52.528 1.00 9.60 N
+ATOM 794 C4 G B 4 9.035 14.122 51.299 1.00 8.29 C
+ATOM 795 P T B 5 11.289 9.032 54.572 1.00 10.26 P
+ATOM 796 O1P T B 5 11.851 8.981 55.946 1.00 10.13 O
+ATOM 797 O2P T B 5 11.406 7.844 53.683 1.00 8.90 O
+ATOM 798 O5* T B 5 9.751 9.425 54.648 1.00 9.96 O
+ATOM 799 C5* T B 5 9.307 10.499 55.485 1.00 9.69 C
+ATOM 800 C4* T B 5 7.819 10.694 55.325 1.00 10.24 C
+ATOM 801 O4* T B 5 7.504 11.512 54.170 1.00 10.17 O
+ATOM 802 C3* T B 5 7.020 9.397 55.157 1.00 11.03 C
+ATOM 803 O3* T B 5 5.846 9.459 55.961 1.00 13.54 O
+ATOM 804 C2* T B 5 6.601 9.434 53.697 1.00 10.97 C
+ATOM 805 C1* T B 5 6.384 10.923 53.537 1.00 10.70 C
+ATOM 806 N1 T B 5 6.282 11.445 52.162 1.00 10.54 N
+ATOM 807 C2 T B 5 5.456 12.532 51.956 1.00 9.98 C
+ATOM 808 O2 T B 5 4.857 13.095 52.859 1.00 10.84 O
+ATOM 809 N3 T B 5 5.359 12.939 50.650 1.00 9.46 N
+ATOM 810 C4 T B 5 5.995 12.388 49.554 1.00 9.58 C
+ATOM 811 O4 T B 5 5.795 12.854 48.436 1.00 10.05 O
+ATOM 812 C5 T B 5 6.866 11.268 49.846 1.00 9.15 C
+ATOM 813 C5M T B 5 7.615 10.619 48.724 1.00 8.59 C
+ATOM 814 C6 T B 5 6.964 10.859 51.117 1.00 9.18 C
+ATOM 815 P G B 6 5.251 8.118 56.613 1.00 14.10 P
+ATOM 816 O1P G B 6 6.218 7.663 57.641 1.00 13.79 O
+ATOM 817 O2P G B 6 4.834 7.187 55.530 1.00 14.00 O
+ATOM 818 O5* G B 6 3.943 8.652 57.342 1.00 14.04 O
+ATOM 819 C5* G B 6 3.994 9.847 58.133 1.00 13.63 C
+ATOM 820 C4* G B 6 2.801 10.725 57.841 1.00 14.62 C
+ATOM 821 O4* G B 6 2.917 11.324 56.526 1.00 12.60 O
+ATOM 822 C3* G B 6 1.456 9.999 57.868 1.00 14.39 C
+ATOM 823 O3* G B 6 0.507 10.783 58.588 1.00 16.71 O
+ATOM 824 C2* G B 6 1.068 9.900 56.404 1.00 12.81 C
+ATOM 825 C1* G B 6 1.710 11.139 55.804 1.00 12.79 C
+ATOM 826 N9 G B 6 2.049 11.011 54.389 1.00 11.75 N
+ATOM 827 C8 G B 6 3.000 10.185 53.841 1.00 12.70 C
+ATOM 828 N7 G B 6 3.067 10.271 52.540 1.00 11.06 N
+ATOM 829 C5 G B 6 2.105 11.215 52.205 1.00 11.77 C
+ATOM 830 C6 G B 6 1.716 11.721 50.937 1.00 11.76 C
+ATOM 831 O6 G B 6 2.162 11.424 49.817 1.00 12.09 O
+ATOM 832 N1 G B 6 0.699 12.664 51.052 1.00 10.71 N
+ATOM 833 C2 G B 6 0.129 13.070 52.234 1.00 11.28 C
+ATOM 834 N2 G B 6 -0.849 13.985 52.137 1.00 12.31 N
+ATOM 835 N3 G B 6 0.488 12.611 53.425 1.00 10.65 N
+ATOM 836 C4 G B 6 1.471 11.689 53.336 1.00 11.06 C
+ATOM 837 P G B 7 -0.826 10.095 59.159 1.00 18.09 P
+ATOM 838 O1P G B 7 -1.114 10.728 60.472 1.00 18.59 O
+ATOM 839 O2P G B 7 -0.686 8.623 59.071 1.00 17.14 O
+ATOM 840 O5* G B 7 -1.943 10.549 58.120 1.00 17.17 O
+ATOM 841 C5* G B 7 -2.322 11.930 58.029 1.00 15.12 C
+ATOM 842 C4* G B 7 -3.390 12.121 56.977 1.00 14.64 C
+ATOM 843 O4* G B 7 -2.827 12.027 55.647 1.00 12.40 O
+ATOM 844 C3* G B 7 -4.561 11.140 57.017 1.00 13.63 C
+ATOM 845 O3* G B 7 -5.757 11.883 56.770 1.00 14.10 O
+ATOM 846 C2* G B 7 -4.263 10.196 55.863 1.00 12.55 C
+ATOM 847 C1* G B 7 -3.612 11.141 54.867 1.00 11.36 C
+ATOM 848 N9 G B 7 -2.739 10.541 53.861 1.00 11.94 N
+ATOM 849 C8 G B 7 -1.712 9.649 54.066 1.00 11.36 C
+ATOM 850 N7 G B 7 -1.081 9.335 52.966 1.00 10.84 N
+ATOM 851 C5 G B 7 -1.737 10.056 51.974 1.00 10.94 C
+ATOM 852 C6 G B 7 -1.494 10.131 50.574 1.00 10.90 C
+ATOM 853 O6 G B 7 -0.619 9.565 49.913 1.00 11.24 O
+ATOM 854 N1 G B 7 -2.402 10.977 49.941 1.00 10.79 N
+ATOM 855 C2 G B 7 -3.414 11.663 50.572 1.00 11.77 C
+ATOM 856 N2 G B 7 -4.201 12.420 49.787 1.00 11.20 N
+ATOM 857 N3 G B 7 -3.642 11.608 51.876 1.00 11.18 N
+ATOM 858 C4 G B 7 -2.773 10.792 52.511 1.00 11.60 C
+ATOM 859 P G B 8 -7.188 11.165 56.844 1.00 12.78 P
+ATOM 860 O1P G B 8 -8.114 12.125 57.501 1.00 14.49 O
+ATOM 861 O2P G B 8 -7.038 9.795 57.395 1.00 12.86 O
+ATOM 862 O5* G B 8 -7.598 11.030 55.313 1.00 13.64 O
+ATOM 863 C5* G B 8 -7.803 12.201 54.506 1.00 13.26 C
+ATOM 864 C4* G B 8 -8.352 11.810 53.153 1.00 13.36 C
+ATOM 865 O4* G B 8 -7.285 11.361 52.281 1.00 11.97 O
+ATOM 866 C3* G B 8 -9.378 10.679 53.206 1.00 13.10 C
+ATOM 867 O3* G B 8 -10.494 10.992 52.374 1.00 15.21 O
+ATOM 868 C2* G B 8 -8.615 9.478 52.668 1.00 11.67 C
+ATOM 869 C1* G B 8 -7.633 10.115 51.699 1.00 10.34 C
+ATOM 870 N9 G B 8 -6.407 9.346 51.515 1.00 10.33 N
+ATOM 871 C8 G B 8 -5.657 8.749 52.499 1.00 8.90 C
+ATOM 872 N7 G B 8 -4.617 8.111 52.037 1.00 10.11 N
+ATOM 873 C5 G B 8 -4.680 8.296 50.660 1.00 9.72 C
+ATOM 874 C6 G B 8 -3.819 7.828 49.633 1.00 8.86 C
+ATOM 875 O6 G B 8 -2.804 7.127 49.737 1.00 10.03 O
+ATOM 876 N1 G B 8 -4.243 8.251 48.376 1.00 8.76 N
+ATOM 877 C2 G B 8 -5.353 9.023 48.139 1.00 9.19 C
+ATOM 878 N2 G B 8 -5.588 9.333 46.856 1.00 7.29 N
+ATOM 879 N3 G B 8 -6.172 9.460 49.091 1.00 9.61 N
+ATOM 880 C4 G B 8 -5.775 9.062 50.321 1.00 9.70 C
+ATOM 881 P C B 9 -11.762 10.012 52.343 1.00 13.67 P
+ATOM 882 O1P C B 9 -12.948 10.821 51.977 1.00 16.63 O
+ATOM 883 O2P C B 9 -11.780 9.207 53.589 1.00 15.32 O
+ATOM 884 O5* C B 9 -11.425 9.031 51.137 1.00 14.49 O
+ATOM 885 C5* C B 9 -11.009 9.556 49.867 1.00 13.65 C
+ATOM 886 C4* C B 9 -10.574 8.439 48.948 1.00 15.24 C
+ATOM 887 O4* C B 9 -9.194 8.045 49.161 1.00 13.54 O
+ATOM 888 C3* C B 9 -11.402 7.153 49.038 1.00 14.95 C
+ATOM 889 O3* C B 9 -11.648 6.679 47.723 1.00 18.85 O
+ATOM 890 C2* C B 9 -10.444 6.175 49.693 1.00 14.73 C
+ATOM 891 C1* C B 9 -9.160 6.638 49.042 1.00 13.00 C
+ATOM 892 N1 C B 9 -7.907 6.133 49.619 1.00 10.78 N
+ATOM 893 C2 C B 9 -6.851 5.832 48.752 1.00 9.71 C
+ATOM 894 O2 C B 9 -6.976 6.085 47.545 1.00 8.63 O
+ATOM 895 N3 C B 9 -5.726 5.279 49.249 1.00 9.02 N
+ATOM 896 C4 C B 9 -5.620 5.045 50.558 1.00 9.86 C
+ATOM 897 N4 C B 9 -4.499 4.469 50.998 1.00 9.12 N
+ATOM 898 C5 C B 9 -6.661 5.384 51.472 1.00 9.50 C
+ATOM 899 C6 C B 9 -7.776 5.924 50.964 1.00 10.80 C
+ATOM 900 P A B 10 -13.152 6.531 47.200 1.00 19.09 P
+ATOM 901 O1P A B 10 -13.784 7.875 47.248 1.00 21.58 O
+ATOM 902 O2P A B 10 -13.776 5.397 47.925 1.00 20.03 O
+ATOM 903 O5* A B 10 -12.943 6.121 45.679 1.00 18.30 O
+ATOM 904 C5* A B 10 -12.258 6.999 44.777 1.00 15.36 C
+ATOM 905 C4* A B 10 -11.439 6.202 43.791 1.00 14.54 C
+ATOM 906 O4* A B 10 -10.241 5.679 44.415 1.00 14.08 O
+ATOM 907 C3* A B 10 -12.161 5.004 43.182 1.00 12.72 C
+ATOM 908 O3* A B 10 -11.865 4.953 41.790 1.00 12.88 O
+ATOM 909 C2* A B 10 -11.578 3.814 43.929 1.00 11.45 C
+ATOM 910 C1* A B 10 -10.161 4.272 44.235 1.00 11.81 C
+ATOM 911 N9 A B 10 -9.563 3.708 45.449 1.00 10.70 N
+ATOM 912 C8 A B 10 -10.056 3.759 46.731 1.00 10.90 C
+ATOM 913 N7 A B 10 -9.268 3.206 47.623 1.00 8.63 N
+ATOM 914 C5 A B 10 -8.189 2.752 46.879 1.00 9.40 C
+ATOM 915 C6 A B 10 -7.005 2.081 47.240 1.00 9.44 C
+ATOM 916 N6 A B 10 -6.690 1.759 48.499 1.00 9.25 N
+ATOM 917 N1 A B 10 -6.140 1.756 46.252 1.00 10.76 N
+ATOM 918 C2 A B 10 -6.451 2.093 44.990 1.00 9.94 C
+ATOM 919 N3 A B 10 -7.526 2.731 44.528 1.00 8.80 N
+ATOM 920 C4 A B 10 -8.365 3.037 45.533 1.00 9.77 C
+ATOM 921 P C B 11 -12.701 3.979 40.831 1.00 12.55 P
+ATOM 922 O1P C B 11 -12.607 4.543 39.463 1.00 12.67 O
+ATOM 923 O2P C B 11 -14.036 3.728 41.435 1.00 12.12 O
+ATOM 924 O5* C B 11 -11.855 2.634 40.882 1.00 11.38 O
+ATOM 925 C5* C B 11 -10.505 2.618 40.397 1.00 11.01 C
+ATOM 926 C4* C B 11 -9.874 1.267 40.635 1.00 11.78 C
+ATOM 927 O4* C B 11 -9.396 1.142 41.998 1.00 13.06 O
+ATOM 928 C3* C B 11 -10.792 0.068 40.384 1.00 11.39 C
+ATOM 929 O3* C B 11 -10.109 -0.876 39.562 1.00 12.41 O
+ATOM 930 C2* C B 11 -11.014 -0.508 41.774 1.00 11.56 C
+ATOM 931 C1* C B 11 -9.695 -0.168 42.440 1.00 11.72 C
+ATOM 932 N1 C B 11 -9.668 -0.184 43.913 1.00 10.28 N
+ATOM 933 C2 C B 11 -8.501 -0.623 44.552 1.00 8.90 C
+ATOM 934 O2 C B 11 -7.520 -0.943 43.865 1.00 11.22 O
+ATOM 935 N3 C B 11 -8.466 -0.685 45.900 1.00 10.04 N
+ATOM 936 C4 C B 11 -9.531 -0.317 46.612 1.00 9.59 C
+ATOM 937 N4 C B 11 -9.445 -0.403 47.942 1.00 9.86 N
+ATOM 938 C5 C B 11 -10.729 0.156 45.991 1.00 8.34 C
+ATOM 939 C6 C B 11 -10.753 0.204 44.651 1.00 9.33 C
+TER 940 C B 11
+ATOM 941 O5* T C 1 -5.053 -5.036 55.054 1.00 21.68 O
+ATOM 942 C5* T C 1 -5.056 -6.478 55.130 1.00 22.24 C
+ATOM 943 C4* T C 1 -4.499 -7.112 53.876 1.00 20.53 C
+ATOM 944 O4* T C 1 -5.572 -7.294 52.915 1.00 18.51 O
+ATOM 945 C3* T C 1 -3.446 -6.235 53.201 1.00 18.88 C
+ATOM 946 O3* T C 1 -2.247 -6.921 52.870 1.00 16.66 O
+ATOM 947 C2* T C 1 -4.128 -5.689 51.962 1.00 18.42 C
+ATOM 948 C1* T C 1 -5.300 -6.616 51.695 1.00 16.65 C
+ATOM 949 N1 T C 1 -6.484 -5.808 51.350 1.00 14.57 N
+ATOM 950 C2 T C 1 -6.935 -5.808 50.050 1.00 13.41 C
+ATOM 951 O2 T C 1 -6.450 -6.503 49.173 1.00 14.00 O
+ATOM 952 N3 T C 1 -7.987 -4.959 49.810 1.00 12.78 N
+ATOM 953 C4 T C 1 -8.616 -4.132 50.720 1.00 12.58 C
+ATOM 954 O4 T C 1 -9.531 -3.402 50.348 1.00 12.15 O
+ATOM 955 C5 T C 1 -8.115 -4.204 52.074 1.00 12.66 C
+ATOM 956 C5M T C 1 -8.745 -3.356 53.131 1.00 11.40 C
+ATOM 957 C6 T C 1 -7.090 -5.033 52.318 1.00 12.60 C
+ATOM 958 P G C 2 -0.914 -6.062 52.606 1.00 16.54 P
+ATOM 959 O1P G C 2 0.280 -6.829 53.062 1.00 16.77 O
+ATOM 960 O2P G C 2 -1.154 -4.693 53.129 1.00 16.00 O
+ATOM 961 O5* G C 2 -0.863 -5.954 51.017 1.00 15.47 O
+ATOM 962 C5* G C 2 -0.837 -7.135 50.205 1.00 13.37 C
+ATOM 963 C4* G C 2 -0.838 -6.756 48.745 1.00 11.62 C
+ATOM 964 O4* G C 2 -2.094 -6.120 48.414 1.00 10.51 O
+ATOM 965 C3* G C 2 0.253 -5.766 48.348 1.00 10.67 C
+ATOM 966 O3* G C 2 0.722 -6.119 47.050 1.00 10.96 O
+ATOM 967 C2* G C 2 -0.460 -4.424 48.367 1.00 10.11 C
+ATOM 968 C1* G C 2 -1.880 -4.790 47.963 1.00 11.29 C
+ATOM 969 N9 G C 2 -2.932 -3.962 48.543 1.00 10.25 N
+ATOM 970 C8 G C 2 -3.130 -3.676 49.873 1.00 11.27 C
+ATOM 971 N7 G C 2 -4.197 -2.952 50.091 1.00 9.74 N
+ATOM 972 C5 G C 2 -4.724 -2.737 48.826 1.00 9.27 C
+ATOM 973 C6 G C 2 -5.884 -2.027 48.425 1.00 10.44 C
+ATOM 974 O6 G C 2 -6.714 -1.439 49.134 1.00 11.74 O
+ATOM 975 N1 G C 2 -6.042 -2.046 47.042 1.00 10.73 N
+ATOM 976 C2 G C 2 -5.196 -2.676 46.161 1.00 11.16 C
+ATOM 977 N2 G C 2 -5.509 -2.576 44.864 1.00 11.63 N
+ATOM 978 N3 G C 2 -4.121 -3.352 46.524 1.00 9.97 N
+ATOM 979 C4 G C 2 -3.948 -3.339 47.860 1.00 9.79 C
+ATOM 980 P T C 3 1.950 -5.330 46.396 1.00 11.81 P
+ATOM 981 O1P T C 3 2.601 -6.256 45.438 1.00 12.58 O
+ATOM 982 O2P T C 3 2.758 -4.688 47.468 1.00 11.90 O
+ATOM 983 O5* T C 3 1.226 -4.191 45.562 1.00 11.55 O
+ATOM 984 C5* T C 3 0.282 -4.541 44.547 1.00 11.35 C
+ATOM 985 C4* T C 3 -0.186 -3.302 43.826 1.00 11.15 C
+ATOM 986 O4* T C 3 -1.270 -2.664 44.540 1.00 10.94 O
+ATOM 987 C3* T C 3 0.891 -2.238 43.627 1.00 11.73 C
+ATOM 988 O3* T C 3 0.908 -1.847 42.257 1.00 13.03 O
+ATOM 989 C2* T C 3 0.454 -1.098 44.537 1.00 10.21 C
+ATOM 990 C1* T C 3 -1.055 -1.265 44.557 1.00 10.38 C
+ATOM 991 N1 T C 3 -1.773 -0.716 45.729 1.00 9.92 N
+ATOM 992 C2 T C 3 -2.989 -0.107 45.502 1.00 9.80 C
+ATOM 993 O2 T C 3 -3.473 0.027 44.390 1.00 10.25 O
+ATOM 994 N3 T C 3 -3.626 0.342 46.631 1.00 9.45 N
+ATOM 995 C4 T C 3 -3.173 0.265 47.933 1.00 8.14 C
+ATOM 996 O4 T C 3 -3.868 0.703 48.846 1.00 7.18 O
+ATOM 997 C5 T C 3 -1.875 -0.358 48.098 1.00 7.95 C
+ATOM 998 C5M T C 3 -1.290 -0.460 49.471 1.00 8.47 C
+ATOM 999 C6 T C 3 -1.248 -0.810 47.002 1.00 9.09 C
+ATOM 1000 P G C 4 2.088 -0.913 41.706 1.00 12.09 P
+ATOM 1001 O1P G C 4 2.387 -1.321 40.311 1.00 12.48 O
+ATOM 1002 O2P G C 4 3.181 -0.876 42.711 1.00 11.01 O
+ATOM 1003 O5* G C 4 1.390 0.514 41.673 1.00 10.65 O
+ATOM 1004 C5* G C 4 0.086 0.664 41.100 1.00 10.25 C
+ATOM 1005 C4* G C 4 -0.486 2.011 41.464 1.00 10.95 C
+ATOM 1006 O4* G C 4 -1.084 2.006 42.786 1.00 10.36 O
+ATOM 1007 C3* G C 4 0.550 3.136 41.469 1.00 12.36 C
+ATOM 1008 O3* G C 4 -0.005 4.276 40.838 1.00 13.71 O
+ATOM 1009 C2* G C 4 0.717 3.454 42.944 1.00 11.54 C
+ATOM 1010 C1* G C 4 -0.695 3.208 43.421 1.00 10.43 C
+ATOM 1011 N9 G C 4 -0.857 3.058 44.863 1.00 9.46 N
+ATOM 1012 C8 G C 4 0.029 2.502 45.757 1.00 10.12 C
+ATOM 1013 N7 G C 4 -0.375 2.590 46.996 1.00 8.85 N
+ATOM 1014 C5 G C 4 -1.607 3.227 46.913 1.00 9.51 C
+ATOM 1015 C6 G C 4 -2.516 3.613 47.932 1.00 8.76 C
+ATOM 1016 O6 G C 4 -2.406 3.482 49.156 1.00 10.31 O
+ATOM 1017 N1 G C 4 -3.649 4.224 47.403 1.00 9.76 N
+ATOM 1018 C2 G C 4 -3.874 4.445 46.066 1.00 9.48 C
+ATOM 1019 N2 G C 4 -5.029 5.051 45.752 1.00 10.76 N
+ATOM 1020 N3 G C 4 -3.031 4.100 45.109 1.00 8.83 N
+ATOM 1021 C4 G C 4 -1.925 3.500 45.599 1.00 9.41 C
+ATOM 1022 P C C 5 0.539 4.725 39.405 1.00 14.22 P
+ATOM 1023 O1P C C 5 0.132 3.709 38.400 1.00 15.04 O
+ATOM 1024 O2P C C 5 1.968 5.092 39.549 1.00 13.44 O
+ATOM 1025 O5* C C 5 -0.274 6.057 39.150 1.00 14.79 O
+ATOM 1026 C5* C C 5 -0.192 7.118 40.093 1.00 14.23 C
+ATOM 1027 C4* C C 5 -1.569 7.653 40.386 1.00 13.39 C
+ATOM 1028 O4* C C 5 -2.147 6.894 41.484 1.00 12.93 O
+ATOM 1029 C3* C C 5 -1.479 9.097 40.859 1.00 13.11 C
+ATOM 1030 O3* C C 5 -2.127 9.998 39.990 1.00 12.53 O
+ATOM 1031 C2* C C 5 -2.111 9.126 42.234 1.00 15.26 C
+ATOM 1032 C1* C C 5 -2.719 7.762 42.457 1.00 12.97 C
+ATOM 1033 N1 C C 5 -2.261 7.337 43.787 1.00 10.45 N
+ATOM 1034 C2 C C 5 -3.077 7.605 44.892 1.00 10.07 C
+ATOM 1035 O2 C C 5 -4.203 8.083 44.703 1.00 9.77 O
+ATOM 1036 N3 C C 5 -2.614 7.341 46.135 1.00 9.47 N
+ATOM 1037 C4 C C 5 -1.399 6.823 46.298 1.00 8.80 C
+ATOM 1038 N4 C C 5 -0.960 6.633 47.545 1.00 6.17 N
+ATOM 1039 C5 C C 5 -0.566 6.486 45.187 1.00 8.69 C
+ATOM 1040 C6 C C 5 -1.036 6.751 43.958 1.00 10.40 C
+ATOM 1041 P C C 6 -1.670 11.528 40.004 1.00 13.49 P
+ATOM 1042 O1P C C 6 -1.933 12.108 38.662 1.00 13.67 O
+ATOM 1043 O2P C C 6 -0.301 11.588 40.579 1.00 10.46 O
+ATOM 1044 O5* C C 6 -2.670 12.168 41.058 1.00 11.60 O
+ATOM 1045 C5* C C 6 -4.079 11.956 40.926 1.00 11.96 C
+ATOM 1046 C4* C C 6 -4.804 12.641 42.056 1.00 11.90 C
+ATOM 1047 O4* C C 6 -4.530 11.950 43.299 1.00 10.49 O
+ATOM 1048 C3* C C 6 -4.357 14.085 42.262 1.00 11.08 C
+ATOM 1049 O3* C C 6 -5.497 14.884 42.561 1.00 12.83 O
+ATOM 1050 C2* C C 6 -3.392 13.999 43.435 1.00 10.81 C
+ATOM 1051 C1* C C 6 -3.931 12.826 44.241 1.00 9.56 C
+ATOM 1052 N1 C C 6 -2.904 12.059 44.970 1.00 9.53 N
+ATOM 1053 C2 C C 6 -3.029 11.901 46.357 1.00 9.44 C
+ATOM 1054 O2 C C 6 -3.989 12.427 46.941 1.00 10.83 O
+ATOM 1055 N3 C C 6 -2.098 11.180 47.025 1.00 10.29 N
+ATOM 1056 C4 C C 6 -1.074 10.635 46.365 1.00 8.19 C
+ATOM 1057 N4 C C 6 -0.182 9.932 47.068 1.00 7.81 N
+ATOM 1058 C5 C C 6 -0.918 10.788 44.956 1.00 8.10 C
+ATOM 1059 C6 C C 6 -1.847 11.501 44.305 1.00 8.19 C
+ATOM 1060 P C C 7 -5.362 16.480 42.610 1.00 13.27 P
+ATOM 1061 O1P C C 7 -6.723 17.029 42.407 1.00 14.21 O
+ATOM 1062 O2P C C 7 -4.259 16.895 41.709 1.00 14.65 O
+ATOM 1063 O5* C C 7 -4.938 16.750 44.116 1.00 12.46 O
+ATOM 1064 C5* C C 7 -5.782 16.281 45.170 1.00 13.05 C
+ATOM 1065 C4* C C 7 -5.164 16.560 46.517 1.00 14.00 C
+ATOM 1066 O4* C C 7 -4.169 15.569 46.870 1.00 14.52 O
+ATOM 1067 C3* C C 7 -4.504 17.928 46.679 1.00 14.52 C
+ATOM 1068 O3* C C 7 -5.086 18.564 47.815 1.00 15.54 O
+ATOM 1069 C2* C C 7 -3.033 17.598 46.905 1.00 15.23 C
+ATOM 1070 C1* C C 7 -3.102 16.216 47.537 1.00 13.33 C
+ATOM 1071 N1 C C 7 -1.902 15.362 47.415 1.00 12.20 N
+ATOM 1072 C2 C C 7 -1.386 14.762 48.574 1.00 9.41 C
+ATOM 1073 O2 C C 7 -1.941 14.975 49.659 1.00 11.22 O
+ATOM 1074 N3 C C 7 -0.299 13.966 48.479 1.00 8.35 N
+ATOM 1075 C4 C C 7 0.282 13.764 47.296 1.00 8.05 C
+ATOM 1076 N4 C C 7 1.359 12.978 47.258 1.00 6.88 N
+ATOM 1077 C5 C C 7 -0.216 14.364 46.099 1.00 9.14 C
+ATOM 1078 C6 C C 7 -1.301 15.148 46.205 1.00 10.53 C
+ATOM 1079 P A C 8 -4.813 20.120 48.095 1.00 17.85 P
+ATOM 1080 O1P A C 8 -6.028 20.698 48.725 1.00 18.96 O
+ATOM 1081 O2P A C 8 -4.235 20.757 46.887 1.00 16.19 O
+ATOM 1082 O5* A C 8 -3.688 20.043 49.208 1.00 14.63 O
+ATOM 1083 C5* A C 8 -3.812 19.085 50.261 1.00 18.35 C
+ATOM 1084 C4* A C 8 -2.598 19.138 51.147 1.00 18.49 C
+ATOM 1085 O4* A C 8 -1.654 18.102 50.785 1.00 18.21 O
+ATOM 1086 C3* A C 8 -1.854 20.471 51.066 1.00 19.35 C
+ATOM 1087 O3* A C 8 -1.755 21.044 52.362 1.00 22.70 O
+ATOM 1088 C2* A C 8 -0.491 20.099 50.502 1.00 18.95 C
+ATOM 1089 C1* A C 8 -0.346 18.629 50.862 1.00 16.84 C
+ATOM 1090 N9 A C 8 0.502 17.883 49.932 1.00 14.32 N
+ATOM 1091 C8 A C 8 0.602 18.063 48.575 1.00 13.38 C
+ATOM 1092 N7 A C 8 1.503 17.303 48.004 1.00 12.64 N
+ATOM 1093 C5 A C 8 2.022 16.556 49.052 1.00 11.40 C
+ATOM 1094 C6 A C 8 3.025 15.571 49.105 1.00 10.72 C
+ATOM 1095 N6 A C 8 3.733 15.177 48.040 1.00 9.30 N
+ATOM 1096 N1 A C 8 3.291 15.012 50.305 1.00 9.01 N
+ATOM 1097 C2 A C 8 2.596 15.425 51.374 1.00 9.13 C
+ATOM 1098 N3 A C 8 1.640 16.349 51.453 1.00 10.49 N
+ATOM 1099 C4 A C 8 1.397 16.884 50.243 1.00 12.33 C
+ATOM 1100 P C C 9 -1.006 22.449 52.565 1.00 22.94 P
+ATOM 1101 O1P C C 9 -1.912 23.362 53.303 1.00 23.73 O
+ATOM 1102 O2P C C 9 -0.396 22.891 51.288 1.00 22.54 O
+ATOM 1103 O5* C C 9 0.154 22.013 53.555 1.00 22.96 O
+ATOM 1104 C5* C C 9 -0.101 20.983 54.518 1.00 21.64 C
+ATOM 1105 C4* C C 9 1.199 20.455 55.070 1.00 21.72 C
+ATOM 1106 O4* C C 9 1.814 19.522 54.147 1.00 19.46 O
+ATOM 1107 C3* C C 9 2.225 21.554 55.333 1.00 23.46 C
+ATOM 1108 O3* C C 9 2.770 21.395 56.639 1.00 27.90 O
+ATOM 1109 C2* C C 9 3.273 21.338 54.252 1.00 20.83 C
+ATOM 1110 C1* C C 9 3.185 19.842 54.009 1.00 19.03 C
+ATOM 1111 N1 C C 9 3.630 19.399 52.674 1.00 16.97 N
+ATOM 1112 C2 C C 9 4.505 18.305 52.581 1.00 15.82 C
+ATOM 1113 O2 C C 9 4.846 17.718 53.620 1.00 16.09 O
+ATOM 1114 N3 C C 9 4.951 17.915 51.365 1.00 13.14 N
+ATOM 1115 C4 C C 9 4.550 18.562 50.270 1.00 12.34 C
+ATOM 1116 N4 C C 9 5.028 18.151 49.091 1.00 11.40 N
+ATOM 1117 C5 C C 9 3.644 19.663 50.332 1.00 14.13 C
+ATOM 1118 C6 C C 9 3.213 20.045 51.544 1.00 14.74 C
+ATOM 1119 P G C 10 3.825 22.464 57.196 1.00 30.66 P
+ATOM 1120 O1P G C 10 3.518 22.687 58.631 1.00 32.78 O
+ATOM 1121 O2P G C 10 3.892 23.624 56.266 1.00 31.39 O
+ATOM 1122 O5* G C 10 5.195 21.673 57.082 1.00 28.40 O
+ATOM 1123 C5* G C 10 5.299 20.330 57.579 1.00 25.06 C
+ATOM 1124 C4* G C 10 6.700 19.819 57.378 1.00 22.60 C
+ATOM 1125 O4* G C 10 6.841 19.253 56.051 1.00 22.29 O
+ATOM 1126 C3* G C 10 7.730 20.941 57.487 1.00 22.32 C
+ATOM 1127 O3* G C 10 8.796 20.605 58.358 1.00 22.70 O
+ATOM 1128 C2* G C 10 8.235 21.131 56.070 1.00 22.26 C
+ATOM 1129 C1* G C 10 7.986 19.789 55.408 1.00 20.96 C
+ATOM 1130 N9 G C 10 7.668 19.957 53.995 1.00 18.12 N
+ATOM 1131 C8 G C 10 6.730 20.810 53.471 1.00 16.68 C
+ATOM 1132 N7 G C 10 6.701 20.804 52.168 1.00 16.13 N
+ATOM 1133 C5 G C 10 7.670 19.880 51.808 1.00 14.56 C
+ATOM 1134 C6 G C 10 8.099 19.464 50.526 1.00 14.18 C
+ATOM 1135 O6 G C 10 7.702 19.850 49.423 1.00 12.70 O
+ATOM 1136 N1 G C 10 9.100 18.502 50.608 1.00 12.07 N
+ATOM 1137 C2 G C 10 9.624 18.009 51.776 1.00 13.59 C
+ATOM 1138 N2 G C 10 10.579 17.079 51.643 1.00 15.04 N
+ATOM 1139 N3 G C 10 9.241 18.399 52.983 1.00 14.66 N
+ATOM 1140 C4 G C 10 8.265 19.333 52.922 1.00 16.04 C
+ATOM 1141 P C C 11 9.805 21.756 58.835 1.00 24.08 P
+ATOM 1142 O1P C C 11 9.967 21.647 60.308 1.00 25.80 O
+ATOM 1143 O2P C C 11 9.358 23.041 58.236 1.00 24.88 O
+ATOM 1144 O5* C C 11 11.165 21.336 58.130 1.00 22.76 O
+ATOM 1145 C5* C C 11 11.656 19.993 58.254 1.00 19.27 C
+ATOM 1146 C4* C C 11 12.772 19.750 57.267 1.00 16.88 C
+ATOM 1147 O4* C C 11 12.233 19.662 55.924 1.00 15.36 O
+ATOM 1148 C3* C C 11 13.829 20.855 57.233 1.00 16.30 C
+ATOM 1149 O3* C C 11 15.111 20.272 57.020 1.00 18.66 O
+ATOM 1150 C2* C C 11 13.458 21.646 55.991 1.00 15.15 C
+ATOM 1151 C1* C C 11 12.955 20.541 55.084 1.00 13.97 C
+ATOM 1152 N1 C C 11 12.069 20.970 53.988 1.00 13.87 N
+ATOM 1153 C2 C C 11 12.255 20.407 52.721 1.00 12.61 C
+ATOM 1154 O2 C C 11 13.112 19.524 52.579 1.00 12.12 O
+ATOM 1155 N3 C C 11 11.497 20.836 51.688 1.00 13.64 N
+ATOM 1156 C4 C C 11 10.572 21.778 51.885 1.00 13.10 C
+ATOM 1157 N4 C C 11 9.871 22.195 50.825 1.00 12.30 N
+ATOM 1158 C5 C C 11 10.330 22.340 53.173 1.00 12.04 C
+ATOM 1159 C6 C C 11 11.097 21.911 54.188 1.00 13.25 C
+TER 1160 C C 11
+HETATM 1161 ZN ZN A 2 -0.714 6.897 65.793 1.00 15.85 ZN
+HETATM 1162 ZN ZN A 3 17.599 4.257 46.425 1.00 12.18 ZN
+HETATM 1163 ZN ZN A 4 7.000 25.288 33.011 1.00 10.68 ZN
+HETATM 1164 O HOH 5 -9.327 0.424 37.121 1.00 19.02 O
+HETATM 1165 O HOH 6 -10.381 2.951 36.133 1.00 42.57 O
+HETATM 1166 O HOH 7 -13.371 4.416 36.955 1.00 38.04 O
+HETATM 1167 O HOH 8 -8.410 5.987 40.844 1.00 33.23 O
+HETATM 1168 O HOH 9 -7.350 3.431 41.845 1.00 18.03 O
+HETATM 1169 O HOH 10 -5.818 5.695 43.055 1.00 24.25 O
+HETATM 1170 O HOH 11 -6.597 8.191 43.536 1.00 21.13 O
+HETATM 1171 O HOH 12 -8.297 7.241 45.449 1.00 13.23 O
+HETATM 1172 O HOH 13 -9.245 9.740 45.862 1.00 19.80 O
+HETATM 1173 O HOH 14 -8.067 11.112 48.159 1.00 15.33 O
+HETATM 1174 O HOH 15 -6.474 13.392 46.975 1.00 16.53 O
+HETATM 1175 O HOH 16 -3.855 16.000 51.234 1.00 14.46 O
+HETATM 1176 O HOH 17 -4.853 13.843 52.862 1.00 15.38 O
+HETATM 1177 O HOH 18 -2.561 14.611 54.693 1.00 27.62 O
+HETATM 1178 O HOH 19 0.023 14.507 55.598 1.00 23.24 O
+HETATM 1179 O HOH 20 0.727 16.728 53.979 1.00 17.95 O
+HETATM 1180 O HOH 21 -3.721 22.403 54.745 1.00 37.76 O
+HETATM 1181 O HOH 22 2.025 23.128 50.500 1.00 38.00 O
+HETATM 1182 O HOH 23 5.552 23.087 51.242 1.00 24.18 O
+HETATM 1183 O HOH 24 8.103 24.548 50.972 1.00 23.62 O
+HETATM 1184 O HOH 25 8.466 25.905 53.278 1.00 26.34 O
+HETATM 1185 O HOH 26 8.066 24.151 55.301 1.00 23.53 O
+HETATM 1186 O HOH 27 11.114 24.444 56.317 1.00 19.97 O
+HETATM 1187 O HOH 28 16.840 22.072 58.585 1.00 43.55 O
+HETATM 1188 O HOH 29 16.230 19.479 59.153 1.00 30.56 O
+HETATM 1189 O HOH 30 17.380 23.254 60.918 1.00 33.23 O
+HETATM 1190 O HOH 31 14.426 17.476 53.581 1.00 20.51 O
+HETATM 1191 O HOH 32 17.107 17.238 51.936 1.00 36.06 O
+HETATM 1192 O HOH 33 16.191 15.253 50.031 1.00 26.67 O
+HETATM 1193 O HOH 34 13.618 14.977 50.485 1.00 17.22 O
+HETATM 1194 O HOH 35 16.382 17.183 47.999 1.00 19.45 O
+HETATM 1195 O HOH 36 18.636 17.344 46.163 1.00 38.43 O
+HETATM 1196 O HOH 37 19.465 14.815 45.193 1.00 37.97 O
+HETATM 1197 O HOH 38 17.408 12.980 49.622 1.00 23.82 O
+HETATM 1198 O HOH 39 16.734 10.790 47.948 1.00 16.34 O
+HETATM 1199 O HOH 40 17.588 8.803 49.801 1.00 22.74 O
+HETATM 1200 O HOH 41 19.652 6.854 49.178 1.00 22.52 O
+HETATM 1201 O HOH 42 20.590 8.558 47.025 1.00 25.88 O
+HETATM 1202 O HOH 43 22.569 5.291 44.416 1.00 28.78 O
+HETATM 1203 O HOH 44 23.999 2.856 44.857 1.00 33.49 O
+HETATM 1204 O HOH 45 23.773 3.274 49.514 1.00 36.83 O
+HETATM 1205 O HOH 46 20.955 3.100 52.405 1.00 24.39 O
+HETATM 1206 O HOH 47 16.736 2.771 55.479 1.00 15.68 O
+HETATM 1207 O HOH 48 13.232 6.119 54.254 1.00 13.45 O
+HETATM 1208 O HOH 49 9.615 5.721 54.794 1.00 9.75 O
+HETATM 1209 O HOH 50 8.686 6.477 57.292 1.00 12.97 O
+HETATM 1210 O HOH 51 10.834 7.915 58.122 1.00 14.68 O
+HETATM 1211 O HOH 52 9.345 10.182 59.279 1.00 30.81 O
+HETATM 1212 O HOH 53 7.108 8.496 60.086 1.00 19.04 O
+HETATM 1213 O HOH 54 5.775 10.673 61.202 1.00 19.16 O
+HETATM 1214 O HOH 55 3.382 11.380 62.474 1.00 34.38 O
+HETATM 1215 O HOH 56 0.586 10.735 62.502 1.00 23.40 O
+HETATM 1216 O HOH 57 -0.406 13.727 60.389 1.00 31.67 O
+HETATM 1217 O HOH 58 -6.442 10.309 60.107 1.00 12.62 O
+HETATM 1218 O HOH 59 -7.623 12.119 63.290 1.00 21.07 O
+HETATM 1219 O HOH 60 -6.459 8.382 68.612 1.00 17.49 O
+HETATM 1220 O HOH 61 -6.286 7.102 70.974 1.00 31.94 O
+HETATM 1221 O HOH 62 -3.765 6.786 70.949 1.00 15.54 O
+HETATM 1222 O HOH 63 -3.788 8.885 72.669 1.00 33.82 O
+HETATM 1223 O HOH 64 -8.931 9.550 69.484 1.00 29.26 O
+HETATM 1224 O HOH 65 -10.828 2.305 67.725 1.00 25.39 O
+HETATM 1225 O HOH 66 -8.040 1.111 67.708 1.00 25.64 O
+HETATM 1226 O HOH 67 -6.470 -1.751 61.713 1.00 22.19 O
+HETATM 1227 O HOH 68 -8.325 -4.897 60.588 1.00 41.25 O
+HETATM 1228 O HOH 69 -8.399 -3.589 58.186 1.00 19.28 O
+HETATM 1229 O HOH 70 -5.719 -3.733 57.489 1.00 16.71 O
+HETATM 1230 O HOH 71 -2.147 -3.766 55.467 1.00 18.06 O
+HETATM 1231 O HOH 72 -3.065 -1.023 55.143 1.00 12.53 O
+HETATM 1232 O HOH 73 -1.639 0.034 53.004 1.00 10.05 O
+HETATM 1233 O HOH 74 0.657 1.190 52.182 1.00 10.19 O
+HETATM 1234 O HOH 75 -0.039 3.441 50.577 1.00 10.14 O
+HETATM 1235 O HOH 76 1.870 2.414 48.731 1.00 9.40 O
+HETATM 1236 O HOH 77 2.657 0.144 50.455 1.00 7.76 O
+HETATM 1237 O HOH 78 1.700 -2.525 50.543 1.00 13.87 O
+HETATM 1238 O HOH 79 -0.154 -2.237 52.449 1.00 11.26 O
+HETATM 1239 O HOH 80 2.546 -5.123 51.683 1.00 22.47 O
+HETATM 1240 O HOH 81 3.806 -6.142 49.351 1.00 20.19 O
+HETATM 1241 O HOH 82 2.899 -9.046 49.438 1.00 32.97 O
+HETATM 1242 O HOH 83 0.990 -8.723 44.887 1.00 30.73 O
+HETATM 1243 O HOH 84 3.238 -5.685 42.609 1.00 32.54 O
+HETATM 1244 O HOH 85 4.421 -3.268 43.419 1.00 26.48 O
+HETATM 1245 O HOH 86 6.612 -3.170 41.612 1.00 30.18 O
+HETATM 1246 O HOH 87 5.969 -0.581 42.295 1.00 19.01 O
+HETATM 1247 O HOH 88 7.277 -0.004 44.768 1.00 10.56 O
+HETATM 1248 O HOH 89 7.519 -2.120 46.526 1.00 19.69 O
+HETATM 1249 O HOH 90 5.197 -3.612 46.214 1.00 18.78 O
+HETATM 1250 O HOH 91 8.363 -3.629 43.774 1.00 35.63 O
+HETATM 1251 O HOH 92 11.354 -2.008 43.719 1.00 35.78 O
+HETATM 1252 O HOH 93 9.493 0.188 43.113 1.00 17.77 O
+HETATM 1253 O HOH 94 10.022 1.464 40.604 1.00 18.78 O
+HETATM 1254 O HOH 95 10.610 4.006 39.801 1.00 11.24 O
+HETATM 1255 O HOH 96 8.625 4.433 37.787 1.00 11.60 O
+HETATM 1256 O HOH 97 12.588 4.692 37.538 1.00 22.92 O
+HETATM 1257 O HOH 98 6.454 6.049 34.791 1.00 21.58 O
+HETATM 1258 O HOH 99 4.806 4.192 35.932 1.00 27.10 O
+HETATM 1259 O HOH 100 4.506 4.767 38.664 1.00 38.91 O
+HETATM 1260 O HOH 101 4.263 2.376 40.003 1.00 20.81 O
+HETATM 1261 O HOH 102 4.227 2.650 42.744 1.00 10.75 O
+HETATM 1262 O HOH 103 4.102 5.339 43.249 1.00 13.26 O
+HETATM 1263 O HOH 104 2.981 6.810 41.260 1.00 13.34 O
+HETATM 1264 O HOH 105 4.094 8.883 39.638 1.00 14.69 O
+HETATM 1265 O HOH 106 3.961 11.404 40.799 1.00 11.94 O
+HETATM 1266 O HOH 107 1.701 11.150 42.582 1.00 13.17 O
+HETATM 1267 O HOH 108 1.458 8.428 43.107 1.00 11.54 O
+HETATM 1268 O HOH 109 2.206 8.468 46.030 1.00 10.46 O
+HETATM 1269 O HOH 110 5.290 8.849 45.997 1.00 7.91 O
+HETATM 1270 O HOH 111 4.457 11.464 46.535 1.00 12.30 O
+HETATM 1271 O HOH 112 2.634 12.678 44.732 1.00 10.95 O
+HETATM 1272 O HOH 113 -0.233 15.991 41.450 1.00 16.17 O
+HETATM 1273 O HOH 114 -1.257 17.076 43.668 1.00 13.46 O
+HETATM 1274 O HOH 115 0.515 18.363 45.590 1.00 15.83 O
+HETATM 1275 O HOH 116 2.256 20.247 44.308 1.00 14.98 O
+HETATM 1276 O HOH 117 1.338 22.836 44.470 1.00 15.13 O
+HETATM 1277 O HOH 118 -0.980 20.924 46.811 1.00 36.10 O
+HETATM 1278 O HOH 119 -4.808 20.898 44.267 1.00 23.15 O
+HETATM 1279 O HOH 120 -7.783 19.292 43.757 1.00 34.06 O
+HETATM 1280 O HOH 121 -7.740 15.981 39.961 1.00 32.48 O
+HETATM 1281 O HOH 122 -6.153 14.120 38.718 1.00 24.59 O
+HETATM 1282 O HOH 123 -6.343 10.972 37.696 1.00 35.52 O
+HETATM 1283 O HOH 124 -3.692 10.510 37.248 1.00 19.62 O
+HETATM 1284 O HOH 125 -5.878 8.381 40.674 1.00 36.64 O
+HETATM 1285 O HOH 126 -3.603 4.545 40.173 1.00 19.32 O
+HETATM 1286 O HOH 127 -3.972 3.439 42.604 1.00 25.76 O
+HETATM 1287 O HOH 128 -3.579 0.674 42.034 1.00 21.72 O
+HETATM 1288 O HOH 129 -3.272 1.073 39.443 1.00 30.24 O
+HETATM 1289 O HOH 130 -2.303 3.191 37.808 1.00 35.13 O
+HETATM 1290 O HOH 131 0.738 1.410 37.071 1.00 27.44 O
+HETATM 1291 O HOH 132 3.068 0.281 38.304 1.00 21.84 O
+HETATM 1292 O HOH 133 0.031 -2.567 39.321 1.00 34.39 O
+HETATM 1293 O HOH 134 -2.410 -1.766 41.468 1.00 34.24 O
+HETATM 1294 O HOH 135 -3.703 -3.893 42.747 1.00 27.98 O
+HETATM 1295 O HOH 136 -3.129 -5.425 44.863 1.00 26.66 O
+HETATM 1296 O HOH 137 -5.335 -7.096 45.581 1.00 23.96 O
+HETATM 1297 O HOH 138 -4.423 -7.575 48.071 1.00 30.49 O
+HETATM 1298 O HOH 139 -4.964 -2.509 52.897 1.00 14.06 O
+HETATM 1299 O HOH 140 -6.508 -0.548 51.705 1.00 15.13 O
+HETATM 1300 O HOH 141 -3.976 0.762 51.656 1.00 10.56 O
+HETATM 1301 O HOH 142 -4.055 3.002 53.475 1.00 10.24 O
+HETATM 1302 O HOH 143 -8.171 2.081 52.489 1.00 26.70 O
+HETATM 1303 O HOH 144 -9.654 2.836 50.204 1.00 26.60 O
+HETATM 1304 O HOH 145 -11.736 0.255 49.287 1.00 19.96 O
+HETATM 1305 O HOH 146 -11.024 -1.540 51.306 1.00 23.84 O
+HETATM 1306 O HOH 147 -10.321 0.162 53.577 1.00 28.20 O
+HETATM 1307 O HOH 148 -10.359 -0.946 55.959 1.00 13.06 O
+HETATM 1308 O HOH 149 -12.661 -0.148 57.709 1.00 15.02 O
+HETATM 1309 O HOH 150 -13.775 -2.764 58.169 1.00 29.67 O
+HETATM 1310 O HOH 151 -12.176 -3.050 60.792 1.00 22.59 O
+HETATM 1311 O HOH 152 -10.415 -3.256 63.069 1.00 28.71 O
+HETATM 1312 O HOH 153 -14.298 -3.167 63.130 1.00 44.98 O
+HETATM 1313 O HOH 154 -16.177 4.455 59.046 1.00 25.52 O
+HETATM 1314 O HOH 155 -15.878 8.086 59.618 1.00 35.50 O
+HETATM 1315 O HOH 156 -11.804 9.902 56.201 1.00 10.16 O
+HETATM 1316 O HOH 157 -9.708 8.671 57.639 1.00 11.96 O
+HETATM 1317 O HOH 158 -9.527 6.059 56.853 1.00 12.31 O
+HETATM 1318 O HOH 159 -6.812 7.842 55.322 1.00 18.61 O
+HETATM 1319 O HOH 160 -2.956 5.922 56.540 1.00 8.47 O
+HETATM 1320 O HOH 161 -0.728 7.352 57.108 1.00 13.62 O
+HETATM 1321 O HOH 162 1.749 6.570 55.744 1.00 8.51 O
+HETATM 1322 O HOH 163 3.097 4.344 56.731 1.00 13.16 O
+HETATM 1323 O HOH 164 5.320 4.925 58.365 1.00 12.28 O
+HETATM 1324 O HOH 165 7.610 3.353 59.138 1.00 16.30 O
+HETATM 1325 O HOH 166 8.457 6.776 61.772 1.00 25.95 O
+HETATM 1326 O HOH 167 12.969 11.525 56.853 1.00 19.50 O
+HETATM 1327 O HOH 168 15.326 11.580 55.200 1.00 28.38 O
+HETATM 1328 O HOH 169 16.856 12.070 52.361 1.00 27.66 O
+HETATM 1329 O HOH 170 10.072 14.518 54.802 1.00 26.52 O
+HETATM 1330 O HOH 171 10.769 17.364 54.919 1.00 28.59 O
+HETATM 1331 O HOH 172 6.313 22.125 48.376 1.00 14.05 O
+HETATM 1332 O HOH 173 4.329 20.201 46.640 1.00 18.03 O
+HETATM 1333 O HOH 174 6.278 18.893 45.002 1.00 10.45 O
+HETATM 1334 O HOH 175 7.748 22.177 41.494 1.00 13.14 O
+HETATM 1335 O HOH 176 10.453 21.566 41.539 1.00 12.81 O
+HETATM 1336 O HOH 177 12.030 19.341 41.543 1.00 16.56 O
+HETATM 1337 O HOH 178 13.271 17.860 37.956 1.00 21.09 O
+HETATM 1338 O HOH 179 13.295 19.656 35.894 1.00 29.61 O
+HETATM 1339 O HOH 180 13.266 18.867 31.529 1.00 18.63 O
+HETATM 1340 O HOH 181 12.205 22.534 29.104 1.00 34.06 O
+HETATM 1341 O HOH 182 9.614 18.077 27.649 1.00 13.32 O
+HETATM 1342 O HOH 183 5.393 19.227 27.182 1.00 13.58 O
+HETATM 1343 O HOH 184 3.215 18.718 28.947 1.00 9.52 O
+HETATM 1344 O HOH 185 2.219 16.991 32.536 1.00 20.18 O
+HETATM 1345 O HOH 186 0.000 19.517 33.450 1.00 22.35 O
+HETATM 1346 O HOH 187 1.735 21.810 33.195 1.00 7.50 O
+HETATM 1347 O HOH 188 0.556 24.847 26.434 1.00 15.38 O
+HETATM 1348 O HOH 189 12.621 -0.110 39.435 1.00 27.41 O
+HETATM 1349 O HOH 190 13.141 1.612 37.364 1.00 30.07 O
+HETATM 1350 O HOH 191 11.281 1.120 35.425 1.00 25.50 O
+HETATM 1351 O HOH 192 6.946 31.954 32.730 1.00 14.67 O
+HETATM 1352 O HOH 193 1.612 34.688 32.432 1.00 11.08 O
+HETATM 1353 O HOH 194 4.253 34.439 38.676 1.00 28.98 O
+HETATM 1354 O HOH 195 2.625 31.554 40.784 1.00 22.77 O
+HETATM 1355 O HOH 196 0.655 33.365 41.283 1.00 21.65 O
+HETATM 1356 O HOH 197 3.876 29.940 42.879 1.00 21.09 O
+HETATM 1357 O HOH 198 6.850 27.002 42.813 1.00 12.23 O
+HETATM 1358 O HOH 199 8.250 25.067 41.375 1.00 11.83 O
+HETATM 1359 O HOH 200 7.681 26.544 45.512 1.00 14.23 O
+HETATM 1360 O HOH 201 4.882 26.888 46.123 1.00 19.09 O
+HETATM 1361 O HOH 202 7.914 26.047 48.507 1.00 26.24 O
+HETATM 1362 O HOH 203 11.732 26.290 35.252 1.00 23.27 O
+HETATM 1363 O HOH 204 12.027 15.831 39.500 1.00 12.02 O
+HETATM 1364 O HOH 205 14.025 14.044 39.911 1.00 30.68 O
+HETATM 1365 O HOH 206 14.219 11.829 38.290 1.00 15.52 O
+HETATM 1366 O HOH 207 16.397 12.918 33.810 1.00 25.76 O
+HETATM 1367 O HOH 208 18.759 11.171 33.561 1.00 35.14 O
+HETATM 1368 O HOH 209 12.329 10.912 31.633 1.00 21.46 O
+HETATM 1369 O HOH 210 8.751 12.914 30.094 1.00 27.00 O
+HETATM 1370 O HOH 211 4.433 14.433 30.643 1.00 20.25 O
+HETATM 1371 O HOH 212 2.371 14.425 28.910 1.00 22.19 O
+HETATM 1372 O HOH 213 0.800 11.832 32.155 1.00 26.71 O
+HETATM 1373 O HOH 214 3.355 11.011 32.448 1.00 16.62 O
+HETATM 1374 O HOH 215 3.339 8.563 33.640 1.00 27.24 O
+HETATM 1375 O HOH 216 4.635 7.823 36.144 1.00 21.95 O
+HETATM 1376 O HOH 217 2.473 7.441 37.793 1.00 37.22 O
+HETATM 1377 O HOH 218 7.009 0.831 40.101 1.00 32.57 O
+HETATM 1378 O HOH 219 2.901 1.146 44.720 1.00 9.66 O
+HETATM 1379 O HOH 220 1.953 -2.061 47.830 1.00 10.49 O
+HETATM 1380 O HOH 221 1.603 -5.948 55.360 1.00 33.80 O
+HETATM 1381 O HOH 222 0.585 -3.580 56.381 1.00 20.44 O
+HETATM 1382 O HOH 223 3.736 -2.184 61.403 1.00 19.93 O
+HETATM 1383 O HOH 224 11.452 -2.316 58.878 1.00 24.07 O
+HETATM 1384 O HOH 225 13.294 -2.023 56.822 1.00 41.53 O
+HETATM 1385 O HOH 226 12.669 -2.882 53.659 1.00 23.84 O
+HETATM 1386 O HOH 227 15.276 -6.292 51.243 1.00 26.21 O
+HETATM 1387 O HOH 228 17.410 -4.537 47.761 1.00 27.09 O
+HETATM 1388 O HOH 229 14.838 -4.213 46.843 1.00 20.46 O
+HETATM 1389 O HOH 230 13.719 -4.837 44.146 1.00 26.37 O
+HETATM 1390 O HOH 231 14.202 -1.504 44.316 1.00 21.22 O
+HETATM 1391 O HOH 232 14.329 -0.987 41.323 1.00 24.80 O
+HETATM 1392 O HOH 233 11.784 -3.573 46.754 1.00 33.91 O
+HETATM 1393 O HOH 234 20.862 -3.928 43.216 1.00 17.34 O
+HETATM 1394 O HOH 235 22.084 7.404 39.592 1.00 13.87 O
+HETATM 1395 O HOH 236 21.419 8.451 42.433 1.00 20.62 O
+HETATM 1396 O HOH 237 10.745 11.435 43.323 1.00 11.11 O
+HETATM 1397 O HOH 238 11.583 14.015 42.921 1.00 9.87 O
+HETATM 1398 O HOH 239 9.660 10.773 45.799 1.00 9.06 O
+HETATM 1399 O HOH 240 10.160 8.284 48.958 1.00 8.79 O
+HETATM 1400 O HOH 241 9.228 7.949 51.645 1.00 6.43 O
+HETATM 1401 O HOH 242 7.403 5.649 52.285 1.00 10.57 O
+HETATM 1402 O HOH 243 1.368 10.635 66.481 1.00 35.42 O
+HETATM 1403 O HOH 244 2.588 9.870 69.005 1.00 30.42 O
+HETATM 1404 O HOH 245 4.834 7.087 71.985 1.00 42.52 O
+HETATM 1405 O HOH 246 2.707 6.273 73.646 1.00 30.95 O
+HETATM 1406 O HOH 247 -7.185 14.703 57.168 1.00 33.74 O
+HETATM 1407 O HOH 248 -12.268 10.336 45.758 1.00 32.20 O
+HETATM 1408 O HOH 249 -14.544 1.777 43.001 1.00 18.91 O
+HETATM 1409 O HOH 250 -13.667 1.239 45.471 1.00 24.76 O
+HETATM 1410 O HOH 251 -11.605 -3.055 39.185 1.00 7.86 O
+HETATM 1411 O HOH 252 -6.124 -0.647 41.654 1.00 19.78 O
+HETATM 1412 O HOH 253 -2.800 16.634 39.747 1.00 13.65 O
+HETATM 1413 O HOH 254 -5.797 14.010 64.598 1.00 35.76 O
+HETATM 1414 O HOH 255 -0.510 12.789 64.269 1.00 39.93 O
+HETATM 1415 O HOH 256 0.403 -9.399 53.332 1.00 35.52 O
+HETATM 1416 O HOH 257 25.797 2.880 51.343 1.00 36.17 O
+HETATM 1417 O HOH 258 7.297 1.948 37.439 1.00 34.89 O
+HETATM 1418 O HOH 259 14.677 -0.027 58.618 1.00 29.15 O
+
diff --git a/tests/test.short.pdb b/tests/test.short.pdb
new file mode 100644
index 0000000..3e8e820
--- /dev/null
+++ b/tests/test.short.pdb
@@ -0,0 +1,33 @@
+REMARK This is a snippet of a PDB file for use in testing
+REMARK It contains 4 residues, 30 atoms.
+ATOM 501 N PHE A 65 6.597 13.636 33.986 1.00 9.14 N
+ATOM 502 CA PHE A 65 5.680 14.773 33.986 1.00 8.84 C
+ATOM 503 C PHE A 65 6.245 16.097 33.479 1.00 8.38 C
+ATOM 504 O PHE A 65 6.954 16.795 34.189 1.00 9.27 O
+ATOM 505 CB PHE A 65 5.078 14.907 35.390 1.00 9.30 C
+ATOM 506 CG PHE A 65 4.556 13.603 35.940 1.00 10.07 C
+ATOM 507 CD1 PHE A 65 3.313 13.120 35.546 1.00 10.85 C
+ATOM 508 CD2 PHE A 65 5.339 12.821 36.788 1.00 10.04 C
+ATOM 509 CE1 PHE A 65 2.857 11.870 35.982 1.00 12.60 C
+ATOM 510 CE2 PHE A 65 4.894 11.575 37.229 1.00 10.10 C
+ATOM 511 CZ PHE A 65 3.654 11.098 36.826 1.00 11.15 C
+ATOM 512 N ALA A 66 5.864 16.450 32.255 1.00 8.40 N
+ATOM 513 CA ALA A 66 6.340 17.663 31.598 1.00 8.00 C
+ATOM 514 C ALA A 66 5.373 18.838 31.680 1.00 8.18 C
+ATOM 515 O ALA A 66 4.170 18.692 31.434 1.00 7.86 O
+ATOM 516 CB ALA A 66 6.674 17.368 30.128 1.00 9.31 C
+ATOM 517 N CYS A 67 5.920 20.010 31.982 1.00 7.53 N
+ATOM 518 CA CYS A 67 5.128 21.225 32.080 1.00 7.10 C
+ATOM 519 C CYS A 67 4.508 21.550 30.727 1.00 7.51 C
+ATOM 520 O CYS A 67 5.176 21.495 29.696 1.00 7.14 O
+ATOM 521 CB CYS A 67 6.003 22.388 32.531 1.00 8.53 C
+ATOM 522 SG CYS A 67 5.147 23.965 32.565 1.00 8.51 S
+ATOM 523 N ASP A 68 3.209 21.829 30.729 1.00 7.13 N
+ATOM 524 CA ASP A 68 2.495 22.162 29.499 1.00 8.60 C
+ATOM 525 C ASP A 68 2.979 23.473 28.868 1.00 8.89 C
+ATOM 526 O ASP A 68 2.856 23.668 27.663 1.00 10.47 O
+ATOM 527 CB ASP A 68 0.990 22.291 29.774 1.00 7.76 C
+ATOM 528 CG ASP A 68 0.291 20.950 29.932 1.00 7.44 C
+ATOM 529 OD1 ASP A 68 0.796 19.921 29.449 1.00 7.95 O
+ATOM 530 OD2 ASP A 68 -0.800 20.932 30.525 1.00 7.82 O
+TER
diff --git a/tests/test_atoms.cpp b/tests/test_atoms.cpp
new file mode 100644
index 0000000..6a7fba0
--- /dev/null
+++ b/tests/test_atoms.cpp
@@ -0,0 +1,155 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <ostream>
+
+#include <boost/detail/lightweight_test.hpp>
+
+#include <btk/core/concepts/atom_concept.hpp>
+#include <btk/core/atoms/pdb_atom.hpp>
+
+using namespace std;
+using namespace BTK;
+using BTK::MATH::BTKVector;
+using BTK::ATOMS::Atom;
+using BTK::ATOMS::PDBAtom;
+using BTK::CONCEPTS::AtomConcept;
+
+template <typename AtomType>
+void test_atom_concept_fxns()
+{
+ BTKVector p(1,2,3);
+ typedef typename AtomType::atom_id_type atom_id_type;
+ typedef typename AtomType::element_id_type element_id_type;
+
+ atom_id_type atom_id = 123;
+ element_id_type element_id = element_id_type::N();
+
+ // test constructors
+ {
+ AtomType a;
+ AtomType a2(p,atom_id,element_id);
+ AtomType a3(a2);
+ }
+
+ // test type methods
+ {
+ AtomType a;
+ a.set_type(atom_id);
+ BOOST_TEST(a.type() == atom_id);
+
+ a.set_element_type(element_id);
+ BOOST_TEST(a.element_type() == element_id);
+ }
+
+ // test position methods
+ {
+ AtomType a;
+ a.set_position(BTKVector(-1,-1,-1));
+ BOOST_TEST(a.position() == BTKVector(-1,-1,-1));
+ }
+
+ // test selection methods
+ {
+ AtomType a;
+ a.select();
+ BOOST_TEST(a.selected());
+ a.select(false);
+ BOOST_TEST(!a.selected());
+ }
+
+ // test equality comparisons
+ {
+ AtomType a;
+ AtomType b(p,atom_id,element_id);
+
+ BOOST_TEST(a != b);
+ BOOST_TEST(!(a == b));
+
+ AtomType b2(b);
+ BOOST_TEST(b == b2);
+ BOOST_TEST(!(b != b2));
+ }
+}
+
+int main()
+{
+ boost::function_requires<AtomConcept<Atom<> > >();
+ boost::function_requires<AtomConcept<PDBAtom> >();
+
+
+ //
+ // tests for all objects conforming to AtomConcept
+ //
+ test_atom_concept_fxns<Atom<> >();
+ test_atom_concept_fxns<PDBAtom>();
+
+ //
+ // additional tests for PDBAtom
+ //
+ PDBAtom::chemical_type_system cts;
+
+ PDBAtom pdba(cts,
+ false,
+ 1,
+ 123,
+ ' ',
+ 456,
+ 'A',
+ 1,
+ ' ',
+ BTKVector(1,1,1),
+ 1.0,2.0);
+
+ PDBAtom copy(pdba);
+
+ BOOST_TEST(pdba.number() == copy.number() && pdba.number() == 1);
+ pdba.set_number(2);
+ BOOST_TEST(pdba.number() == 2);
+
+ // BOOST_TEST(pdba.res_name() == copy.res_name() && pdba.res_name() == "ALA");
+
+ BOOST_TEST(pdba.res_number() == copy.res_number() && pdba.res_number() == 1);
+ pdba.set_res_number(2);
+ BOOST_TEST(pdba.res_number() == 2);
+
+ BOOST_TEST(pdba.chain_id() == copy.chain_id() && pdba.chain_id() == 'A');
+ pdba.set_chain_id('B');
+ BOOST_TEST(pdba.chain_id() == 'B');
+
+ BOOST_TEST(pdba.alt_loc() == copy.alt_loc() && pdba.alt_loc() == ' ');
+ pdba.set_alt_loc('A');
+ BOOST_TEST(pdba.alt_loc() == 'A');
+
+ BOOST_TEST(pdba.insert_code() == copy.insert_code() && pdba.insert_code() == ' ');
+ pdba.set_insert_code('A');
+ BOOST_TEST(pdba.insert_code() == 'A');
+
+ BOOST_TEST(pdba.occupancy() == copy.occupancy() && pdba.occupancy() == 1.0);
+ pdba.set_occupancy(0.75);
+ BOOST_TEST(pdba.occupancy() == 0.75);
+
+ BOOST_TEST(pdba.b_factor() == copy.b_factor() && pdba.b_factor() == 2.0);
+ pdba.set_b_factor(0.8);
+ BOOST_TEST(pdba.b_factor() == 0.8);
+
+ return boost::report_errors();
+}
+
diff --git a/tests/test_btk_container.cpp b/tests/test_btk_container.cpp
new file mode 100644
index 0000000..7eb67fd
--- /dev/null
+++ b/tests/test_btk_container.cpp
@@ -0,0 +1,58 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <vector>
+#include <list>
+
+#include <btk/core/utility/btk_sequence.hpp>
+#include "btk_container_tests.hpp"
+
+struct gen_seq {
+
+ gen_seq() : i(0) {}
+
+ int operator()() const { return i++; }
+
+ mutable int i;
+};
+
+int main()
+{
+ typedef BTK::UTILITY::BTKSequence<int,std::vector<int> > vector_seq;
+ typedef BTK::UTILITY::BTKSequence<int,std::list<int> > list_seq;
+
+ // These tests are currently disabled because the BTKContainer
+ // and BTKSequence classes have protected comparison and assignment
+ // methods (for good reason!)
+ //
+ // It would be nice to rewrite the test harness to conditionally enable
+ // the assignment and comparison operator tests only when the tested
+ // type supports these methods, but that's a lot of work for very little
+ // gain -- the BTKContainer and BTKSequence code gets tested when the
+ // AtomicStructure class hierarchy gets tested anyway.
+
+ //test_btk_sequence_type<vector_seq,gen_seq>();
+ //test_btk_sequence_type<list_seq,gen_seq>();
+
+ return boost::report_errors();
+}
+
+
+
diff --git a/tests/test_common.hpp b/tests/test_common.hpp
new file mode 100644
index 0000000..ba7754a
--- /dev/null
+++ b/tests/test_common.hpp
@@ -0,0 +1,59 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#ifndef BTK_TEST_COMMON_HPP
+#define BTK_TEST_COMMON_HPP
+
+#include <boost/detail/lightweight_test.hpp>
+
+template <typename Iterator>
+void test_iteration(Iterator begin, Iterator end,
+ unsigned size,
+ bool extra_paranoid = false)
+{
+ Iterator i(begin);
+ unsigned N = 0;
+
+ while (i != end) { ++i; ++N; }
+ BOOST_TEST(N == size);
+ BOOST_TEST(i == end);
+
+ N = 0;
+ while (i != begin) { --i; ++N; }
+ BOOST_TEST(N == size);
+ BOOST_TEST(i == begin);
+
+ if (extra_paranoid) {
+ // Iterate using the postfix notation, just in case...
+ N = 0;
+
+ while (i++ != end) ++N;
+ BOOST_TEST(N == size);
+ BOOST_TEST(i == end);
+
+ N = 0;
+
+ while (i-- != begin) ++N;
+ BOOST_TEST(N == size);
+ }
+
+}
+
+#endif // BTK_TEST_COMMON_HPP
diff --git a/tests/test_dictionary.cpp b/tests/test_dictionary.cpp
new file mode 100644
index 0000000..f95d9b0
--- /dev/null
+++ b/tests/test_dictionary.cpp
@@ -0,0 +1,85 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <ostream>
+#include <boost/detail/lightweight_test.hpp>
+#include <btk/core/io/dictionary.hpp>
+
+typedef BTK::IO::Dictionary<int> dictionary;
+
+int main()
+{
+ dictionary d;
+ BOOST_TEST(d.begin() == d.end());
+
+ // insert tests
+ BOOST_TEST(d.insert(dictionary::value_type(1,"ONE")));
+
+ BOOST_TEST(d.insert(dictionary::value_type(2,"TWO")));
+ BOOST_TEST(d.insert(dictionary::value_type(3,"THREE")));
+ BOOST_TEST(d.insert(dictionary::value_type(4,"FOUR")));
+ BOOST_TEST(d.insert(dictionary::value_type(314,"THREE HUNDRED FOURTEEN")));
+
+ // try to insert a duplicate ID.
+ BOOST_TEST(!d.insert(dictionary::value_type(4,"DUPE_FOUR")));
+ BOOST_TEST(d.find("DUPE_FOUR") == d.end());
+
+ // try to insert a new ID with a duplicate symbol
+ BOOST_TEST(!d.insert(dictionary::value_type(10,"TWO")));
+ BOOST_TEST(d.find("TWO")->first == 2);
+
+ {
+ // find by type
+ dictionary::const_iterator i = d.find(4);
+
+ BOOST_TEST(i != d.end());
+ BOOST_TEST(i->first == 4);
+ BOOST_TEST(i->second == "FOUR");
+ }
+
+ {
+ // find by symbol
+ dictionary::const_iterator i = d.find("THREE");
+
+ BOOST_TEST(i != d.end());
+ BOOST_TEST(i->first == 3);
+ BOOST_TEST(i->second == "THREE");
+ }
+
+ // try to find non-existent values
+ BOOST_TEST(d.find(666) == d.end());
+ BOOST_TEST(d.find("FOOBAR") == d.end());
+
+ // add an alternate symbol to a type
+ BOOST_TEST(d.add_alternate_symbol(314,"FOOBAR"));
+ BOOST_TEST(d.find("FOOBAR") != d.end());
+ BOOST_TEST(d.find("FOOBAR")->first == 314);
+ BOOST_TEST(d.find("THREE HUNDRED FOURTEEN")->first == 314);
+
+ // try to define a duplicate alternate symbol.
+ BOOST_TEST(!d.add_alternate_symbol(4,"FOOBAR"));
+ BOOST_TEST(d.find("FOOBAR")->first == 314);
+
+ // try to define an alternate symbol for a non-existent type
+ BOOST_TEST(!d.add_alternate_symbol(666,"BETTER NOT WORK"));
+ BOOST_TEST(d.find("BETTER NOT WORK") == d.end());
+
+ return boost::report_errors();
+}
diff --git a/tests/test_grouped_iterator.cpp b/tests/test_grouped_iterator.cpp
new file mode 100644
index 0000000..f9a6198
--- /dev/null
+++ b/tests/test_grouped_iterator.cpp
@@ -0,0 +1,160 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <vector>
+#include <list>
+#include <algorithm>
+
+#include <boost/iterator/reverse_iterator.hpp>
+
+#include <btk/core/utility/grouped_element_iterator.hpp>
+
+#include "test_common.hpp"
+
+using namespace std;
+using BTK::UTILITY::GroupedElementIterator;
+
+typedef vector<int> group_type;
+typedef list<group_type> list_type;
+typedef GroupedElementIterator<list_type::iterator,
+ group_type::iterator,
+ group_type,
+ int> iterator_type;
+
+typedef GroupedElementIterator<list_type::const_iterator,
+ group_type::const_iterator,
+ group_type const,
+ int const> const_iterator_type;
+
+typedef boost::reverse_iterator<iterator_type> reverse_iterator_type;
+
+void fill_group_list(unsigned group_size,
+ unsigned num_groups,
+ list_type & glist)
+{
+ glist.clear();
+ unsigned element = 0;
+
+ for (unsigned g = 0; g < num_groups; ++g) {
+ glist.push_back(group_type());
+ group_type & cur_group = glist.back();
+
+ for (unsigned i = 0; i < group_size; ++i) {
+ cur_group.push_back(element++);
+ }
+ }
+}
+
+int main() {
+ list_type test_list;
+ fill_group_list(5,4,test_list);
+ iterator_type i, end, copy;
+
+ i = iterator_type(test_list.begin(),
+ test_list.end());
+ end = iterator_type(test_list.begin(),
+ test_list.end(),
+ true);
+
+ //
+ // test basic equality/inequality
+ //
+ BOOST_TEST(i == i);
+ BOOST_TEST(end == end);
+ BOOST_TEST(i != end);
+
+ copy = i;
+
+ BOOST_TEST(i == copy);
+ BOOST_TEST(i != ++copy);
+ BOOST_TEST(i == --copy);
+
+ //
+ // test forward/reverse iteration with forward iterators
+ //
+ test_iteration(i,end,20,true);
+
+ //
+ // test interoperability between const and non-const iterators
+ //
+#if 0
+ const_iterator_type ci(i);
+ const_iterator_type cend(end);
+ test_iteration(ci,cend,20,true);
+
+ ci = i;
+ cend = end;
+
+ test_iteration(ci,cend,20,true);
+#endif
+
+ //
+ // test reverse iterator equality/inequality
+ //
+ reverse_iterator_type ri,rend,rcopy;
+ ri = reverse_iterator_type(iterator_type(test_list.begin(),
+ test_list.end(),
+ true));
+
+ rend = reverse_iterator_type(iterator_type(test_list.begin(),
+ test_list.end()));
+
+ BOOST_TEST(ri != rend);
+ BOOST_TEST(ri == ri);
+ BOOST_TEST(rend == rend);
+
+ rcopy = ri;
+
+ BOOST_TEST(ri == rcopy);
+ BOOST_TEST(ri != ++rcopy);
+ BOOST_TEST(ri == --rcopy);
+
+ test_iteration(ri,rend,20,true);
+
+ //
+ // test iteration over empty groups
+ //
+ test_list.push_front(group_type());
+ test_list.push_back(group_type());
+
+ i = iterator_type(test_list.begin(),
+ test_list.end());
+ end = iterator_type(test_list.begin(),
+ test_list.end(),
+ true);
+
+ test_iteration(i,end,20,true);
+
+ //
+ // test corner case -- iteration of list of empty groups
+ //
+ list_type empty_list;
+ fill_group_list(0,5,empty_list);
+
+ i = iterator_type(empty_list.begin(),
+ empty_list.end());
+ end = iterator_type(empty_list.begin(),
+ empty_list.end(),
+ true);
+
+ test_iteration(i,end,0,true);
+
+ return boost::report_errors();
+}
diff --git a/tests/test_molecule.cpp b/tests/test_molecule.cpp
new file mode 100644
index 0000000..8c80481
--- /dev/null
+++ b/tests/test_molecule.cpp
@@ -0,0 +1,61 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2004-2006, Christopher Saunders <ctsa at users.sourceforge.net>,
+// Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <iostream>
+#include <list>
+
+#include <btk/core/atoms/atom.hpp>
+#include <btk/core/concepts/chain_concept.hpp>
+#include <btk/core/concepts/atomic_structure_concept.hpp>
+#include <btk/core/molecules/molecule.hpp>
+
+#include "atomic_structure_tests.hpp"
+
+using BTK::ATOMS::Atom;
+using BTK::MOLECULES::Molecule;
+using BTK::CONCEPTS::ChainConcept;
+using BTK::CONCEPTS::AtomicStructureConcept;
+
+typedef Molecule<Atom<> > molecule;
+typedef molecule::atom_type atom_type;
+
+int main() {
+ boost::function_requires<ChainConcept<molecule> >();
+ boost::function_requires<AtomicStructureConcept<molecule> >();
+
+ // test Molecule-specific constructors
+ molecule m(10,atom_type(),-1,'X');
+ molecule m2(m.structure_begin(),m.structure_end(),-1,'Y');
+ BOOST_TEST(m.chain_id() == 'X');
+ BOOST_TEST(m2.chain_id() == 'Y');
+ BOOST_TEST(m.num_atoms() == m2.num_atoms());
+ BOOST_TEST(m != m2);
+
+ // test get/set chain
+ m2.set_chain_id('X');
+ BOOST_TEST(m.chain_id() == 'X');
+ BOOST_TEST(m == m2);
+
+ // test the rest of the required methods
+ test_mutable_atomic_structure_type<molecule>();
+
+ return boost::report_errors();
+}
diff --git a/tests/test_monomer.cpp b/tests/test_monomer.cpp
new file mode 100644
index 0000000..0e831a6
--- /dev/null
+++ b/tests/test_monomer.cpp
@@ -0,0 +1,60 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005-2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <vector>
+
+#include <boost/detail/lightweight_test.hpp>
+
+#include <btk/core/concepts/monomer_concept.hpp>
+#include <btk/core/molecules/monomer.hpp>
+#include <btk/core/atoms/atom.hpp>
+
+#include "atomic_structure_tests.hpp"
+
+using BTK::MOLECULES::Monomer;
+using BTK::ATOMS::Atom;
+
+typedef Monomer<Atom<> > monomer;
+
+int main() {
+ boost::function_requires<BTK::CONCEPTS::MonomerConcept<monomer> >();
+
+ std::vector<Atom<> > atoms(111);
+ std::generate(atoms.begin(),atoms.end(),RandomAtomGenerator());
+
+ // test Monomer-specific constructors
+ monomer::id_type t = 128;
+ int number = 314;
+
+ monomer m(atoms.begin(),atoms.end(),t,number);
+ BOOST_TEST(std::equal(atoms.begin(),atoms.end(),
+ m.structure_begin()));
+ BOOST_TEST(m.number() == number);
+
+ monomer m2(m);
+ BOOST_TEST(m.type() == t);
+ BOOST_TEST(m.number() == number);
+
+ // test all methods required by the AtomicStructure concept.
+ test_atomic_structure(m2);
+
+ return boost::report_errors();
+}
+
diff --git a/tests/test_pdb_output.cpp b/tests/test_pdb_output.cpp
new file mode 100644
index 0000000..e863689
--- /dev/null
+++ b/tests/test_pdb_output.cpp
@@ -0,0 +1,99 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005-2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <iostream>
+#include <fstream>
+
+#include <boost/detail/lightweight_test.hpp>
+
+#include <btk/core/atoms/pdb_atom.hpp>
+#include <btk/core/molecules/monomer.hpp>
+#include <btk/core/molecules/polymer.hpp>
+#include <btk/core/io/pdb_system.hpp>
+
+using std::cerr;
+using std::endl;
+
+typedef BTK::ATOMS::PDBAtom atom;
+typedef BTK::MOLECULES::Monomer<atom> monomer;
+typedef BTK::MOLECULES::Polymer<monomer> polymer;
+typedef BTK::IO::PDBSystem<polymer> pdb_system;
+
+template <typename T>
+bool equal(T const & v1, T const & v2) {
+ if (v1 == v2) return true;
+
+ std::cerr << "v1: " << v1
+ << " v2: " << v2 << std::endl;
+ return false;
+}
+
+bool atoms_mostly_equivalent(atom const & a1,
+ atom const & a2)
+{
+ // make sure that a1 and a2 are equal in every way except numbering.
+ if (!equal(a1.position(),a2.position())) return false;
+ if (!equal(a1.type(),a2.type())) return false;
+ if (!equal(a1.name(),a2.name())) return false;
+ if (!equal(a1.element_type(),a2.element_type())) return false;
+
+ if (!equal(a1.element_name(),a2.element_name())) return false;
+ if (!equal(a1.res_name(),a2.res_name())) return false;
+ if (!equal(a1.chain_id(),a2.chain_id())) return false;
+ if (!equal(a1.insert_code(),a2.insert_code())) return false;
+ if (!equal(a1.occupancy(),a2.occupancy())) return false;
+ if (!equal(a1.b_factor(),a2.b_factor())) return false;
+ if (!equal(a1.is_hetatom(),a2.is_hetatom())) return false;
+
+ return true;
+}
+
+int main()
+{
+ pdb_system original("test.short.pdb",
+ true);
+
+ {
+ // read in a file, write it back out as a new file
+ std::ofstream pdb_out("output_test.pdb");
+ pdb_out << original << endl;
+ }
+
+ {
+ // read the new file, and compare it to the original
+ pdb_system copy("output_test.pdb",
+ true,
+ false,
+ original.get_chemical_type_system());
+
+ pdb_system::atom_iterator ai,aj;
+
+ for (ai = original.structure_begin(), aj = copy.structure_begin();
+ ai != original.structure_end() && aj != copy.structure_end();
+ ++ai, ++aj) {
+ bool t;
+ BOOST_TEST(t = atoms_mostly_equivalent(*ai,*aj));
+ if (!t)
+ cerr << "Unequal atoms:\n" << " " << *ai << " " << *aj << endl;
+ }
+ }
+
+ return boost::report_errors();
+}
diff --git a/tests/test_pdb_system.cpp b/tests/test_pdb_system.cpp
new file mode 100644
index 0000000..911ab20
--- /dev/null
+++ b/tests/test_pdb_system.cpp
@@ -0,0 +1,231 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005-2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <iostream>
+#include <string>
+#include <algorithm>
+
+#include <boost/detail/lightweight_test.hpp>
+
+#include <btk/core/common/exceptions.hpp>
+#include <btk/core/molecules/polymer.hpp>
+#include <btk/core/molecules/monomer.hpp>
+#include <btk/core/atoms/pdb_atom.hpp>
+#include <btk/core/io/pdb_system.hpp>
+
+using std::cout;
+using std::cerr;
+using std::endl;
+using std::string;
+
+typedef BTK::ATOMS::PDBAtom atom;
+typedef BTK::MOLECULES::Monomer<atom> monomer;
+typedef BTK::MOLECULES::Polymer<monomer> polymer;
+typedef BTK::IO::PDBSystem<polymer> pdb_system;
+
+using BTK::EXCEPTIONS::BTKException;
+
+void summarize_file(pdb_system const & pdb_file,
+ unsigned & num_chains,
+ unsigned & num_monomers,
+ unsigned & num_atoms)
+{
+ num_chains = num_monomers = num_atoms = 0;
+
+ for (pdb_system::const_chain_iterator ci = pdb_file.system_begin();
+ ci != pdb_file.system_end(); ++ci) {
+ ++num_chains;
+
+ for (polymer::const_monomer_iterator mi = ci->polymer_begin();
+ mi != ci->polymer_end(); ++mi) {
+ ++num_monomers;
+
+ for (monomer::const_atom_iterator ai = mi->structure_begin();
+ ai != mi->structure_end(); ++ai) ++num_atoms;
+ }
+ }
+}
+
+int main()
+{
+ try {
+
+ //
+ // Test 1:
+ // Load short PDB & make sure that chain, residue
+ // and atom loading are correct.
+ //
+ {
+ pdb_system pdb_file("test.short.pdb",
+ false);
+
+ unsigned num_chains = 0;
+ unsigned num_monomers = 0;
+ unsigned num_atoms = 0;
+ std::string header = pdb_file.header();
+
+ BOOST_TEST(std::count(header.begin(),header.end(),'\n') == 2);
+
+ summarize_file(pdb_file,num_chains,num_monomers,num_atoms);
+
+ BOOST_TEST(num_chains == 1);
+ BOOST_TEST(num_monomers == 4);
+ BOOST_TEST(num_atoms = 30);
+
+ //cout << pdb_file.dictionary() << std::endl;
+ cout << "Finshed test 1" << endl;
+ }
+
+ //
+ // Test 2:
+ // Load longer PDB file, and test that multi-chain loading is correct.
+ // (w/o HETATM loading)
+ //
+ {
+ pdb_system pdb_file("test.pdb",
+ false);
+
+ string header = pdb_file.header();
+ unsigned num_chains = 0;
+ unsigned num_monomers = 0;
+ unsigned num_atoms = 0;
+
+ BOOST_TEST(count(header.begin(),header.end(),'\n') == 2);
+
+ summarize_file(pdb_file,num_chains,num_monomers,num_atoms);
+
+ BOOST_TEST(num_chains == 3);
+ BOOST_TEST(num_monomers == 107);
+ BOOST_TEST(num_atoms == 1153);
+
+ cout << "Finshed test 2" << endl;
+ }
+
+ //
+ // Test 3:
+ // Same as test 2, with the addition of HETATM loading.
+ //
+ {
+ pdb_system pdb_file("test.pdb",
+ true);
+
+ string header = pdb_file.header();
+ unsigned num_chains = 0;
+ unsigned num_monomers = 0;
+ unsigned num_atoms = 0;
+
+ BOOST_TEST(count(header.begin(),header.end(),'\n') == 2);
+
+ summarize_file(pdb_file,num_chains,num_monomers,num_atoms);
+
+ BOOST_TEST(num_chains == 5);
+ BOOST_TEST(num_monomers == (107 + 258));
+ BOOST_TEST(num_atoms == (1153 + 258));
+
+ cout << "Finshed test 3" << endl;
+ }
+
+ //
+ // Test 4:
+ // Multiple models, w/o HETATMs.
+ //
+ {
+ pdb_system pdb_file("multi_model_test.pdb",
+ false);
+
+ unsigned num_models = 1;
+ unsigned num_chains = 0;
+ unsigned num_monomers = 0;
+ unsigned num_atoms = 0;
+
+ while (pdb_file.get_next_model(false)) {
+ summarize_file(pdb_file,num_chains,num_monomers,num_atoms);
+ ++num_models;
+
+ BOOST_TEST(num_chains == 1);
+ BOOST_TEST(num_monomers == 77);
+ BOOST_TEST(num_atoms = 1194);
+
+ // Do a few spot-checks, just to make sure that the parsing is
+ // working correctly for each model.
+ if (num_models == 2) {
+ monomer & first_monomer =
+ *(pdb_file.system_begin()->polymer_begin());
+ atom & first_atom = *(first_monomer.structure_begin());
+
+ BOOST_TEST(first_monomer.name() == "LEU");
+ BOOST_TEST(first_atom.name() == "N");
+ BOOST_TEST(first_atom.position()[0] == 4.716);
+ } else if (num_models == 5) {
+ monomer & first_monomer =
+ *(pdb_file.system_begin()->polymer_begin());
+ atom & second_atom = *(++first_monomer.structure_begin());
+
+ BOOST_TEST(first_monomer.name() == "LEU");
+ BOOST_TEST(second_atom.name() == "CA");
+ BOOST_TEST(second_atom.position()[2] == -5.629);
+ } else if (num_models == 10) {
+ monomer & last_monomer =
+ *(--pdb_file.system_begin()->polymer_end());
+ atom & second_atom = *(++last_monomer.structure_begin());
+
+ BOOST_TEST(last_monomer.name() == "ASN");
+ BOOST_TEST(second_atom.name() == "CA");
+ BOOST_TEST(second_atom.position()[1] == 11.927);
+ }
+ }
+
+ BOOST_TEST(num_models == 10);
+
+ cout << "Finshed test 4" << endl;
+ }
+
+ //
+ // Test 5:
+ // The whole enchilada. Multiple models w/het atoms.
+ //
+ {
+ pdb_system pdb_file("multi_model_test.pdb",
+ true);
+
+ unsigned num_models = 1;
+ unsigned num_chains = 0;
+ unsigned num_monomers = 0;
+ unsigned num_atoms = 0;
+
+ while (pdb_file.get_next_model()) {
+ summarize_file(pdb_file,num_chains,num_monomers,num_atoms);
+ ++num_models;
+
+ BOOST_TEST(num_chains == 2);
+ BOOST_TEST(num_monomers == 80);
+ BOOST_TEST(num_atoms == 1269);
+ }
+
+ cout << "Finshed test 5" << endl;
+ }
+
+ } catch (BTKException & e) {
+ cerr << "Caught BTKException: " << e.what() << endl;
+ }
+
+ return boost::report_errors();
+};
+
diff --git a/tests/test_polymer.cpp b/tests/test_polymer.cpp
new file mode 100644
index 0000000..f7aa2c1
--- /dev/null
+++ b/tests/test_polymer.cpp
@@ -0,0 +1,32 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2004-2006, Christopher Saunders <ctsa at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <btk/core/molecules/polymer.hpp>
+
+#include "polymer_structure_tests.hpp"
+
+typedef BTK::MOLECULES::Polymer<monomer> polymer;
+
+int main() {
+
+ test_mutable_polymer_structure_type<polymer>();
+
+ return boost::report_errors();
+}
diff --git a/tests/test_system.cpp b/tests/test_system.cpp
new file mode 100644
index 0000000..ed258ef
--- /dev/null
+++ b/tests/test_system.cpp
@@ -0,0 +1,54 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2005-2006, Tim Robertson <kid50 at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <btk/core/molecules/system.hpp>
+
+#include "system_tests.hpp"
+
+typedef BTK::MOLECULES::System<polymer> polymer_system;
+typedef BTK::MOLECULES::System<molecule> molecule_system;
+
+int main()
+{
+ {
+ polymer_system p;
+ molecule_system m;
+
+ test_system_type<polymer_system,RandomPolymerGenerator>();
+ test_system_type<molecule_system,RandomMoleculeGenerator>();
+
+ // uncomment this line to check that monomer iteration on an atomic system
+ // object fails to compile (as it should!):
+ //test_iteration(m.polymer_begin(),m.polymer_end(),m.num_monomers());
+ }
+
+ {
+ // test iteration for polymer system
+ polymer_system p(10);
+ std::generate(p.system_begin(),p.system_end(),RandomPolymerGenerator());
+ test_iteration(p.polymer_begin(),p.polymer_end(),p.num_monomers());
+
+ // atom iteration was already tested by test_system_type<>(), but you
+ // can uncomment this line if you're especially paranoid:
+ //test_iteration(p.structure_begin(),p.structure_end(),p.num_atoms());
+ }
+
+ return boost::report_errors();
+}
diff --git a/tests/test_vector_geometry.cpp b/tests/test_vector_geometry.cpp
new file mode 100644
index 0000000..62eb7c7
--- /dev/null
+++ b/tests/test_vector_geometry.cpp
@@ -0,0 +1,67 @@
+// -*- mode: c++; indent-tabs-mode: nil; -*-
+//
+//The Biomolecule Toolkit (BTK) is a C++ library for use in the
+//modeling, analysis, and design of biological macromolecules.
+//Copyright (C) 2004-2006, Christopher Saunders <ctsa at users.sourceforge.net>
+//
+//This program is free software; you can redistribute it and/or modify
+//it under the terms of the GNU Lesser General Public License as published
+//by the Free Software Foundation; either version 2.1 of the License, or (at
+//your option) any later version.
+//
+//This program is distributed in the hope that it will be useful, but
+//WITHOUT ANY WARRANTY; without even the implied warranty of
+//MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
+//Lesser General Public License for more details.
+//
+//You should have received a copy of the GNU Lesser General Public License
+//along with this program; if not, write to the Free Software Foundation,
+//Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
+
+#include <iostream>
+#include <boost/detail/lightweight_test.hpp>
+
+#include <btk/core/math/linear_algebra.hpp>
+
+using namespace std;
+using namespace BTK;
+using BTK::MATH::BTKVector;
+using BTK::MATH::rad2deg;
+using BTK::MATH::deg2rad;
+
+int main()
+{
+ // setup hypothetical build of C from N,CA,CB
+ // using the C-CA-N angle and the C-CA-CB angle
+ //
+
+ BTKVector ca(0.000, 0.000, 0.000);
+ BTKVector n(-0.409, 1.392, 0.000);
+ BTKVector cb(-0.595, -0.774, -1.216);
+
+ double ca_c_length = 1.5229;
+ double n_ca_c_angle = deg2rad(106.3800);
+ double cb_ca_c_angle = deg2rad(112.4500);
+
+ cerr << "testing: set_vector_from_two_angles" << endl;
+
+ BTKVector c = set_vector_from_two_angles( ca, n, cb, ca_c_length, n_ca_c_angle, cb_ca_c_angle);
+
+ cerr << "c: " << c << endl;
+
+ cerr << "norm_2(c-ca) " << norm_2(c-ca) << endl;
+ cerr << "angle c-ca-cb " << rad2deg(point_angle(c,ca,cb)) << endl;
+ cerr << "angle c-ca-n " << rad2deg(point_angle(c,ca,n)) << endl;
+
+
+ BOOST_TEST( fabs( norm_2(c-ca)-1.5229 ) < 0.0001 );
+ BOOST_TEST( fabs( rad2deg(point_angle(c,ca,cb)) - 112.45 ) < 0.01 );
+ BOOST_TEST( fabs( rad2deg(point_angle(c,ca,n)) - 106.38 ) < 0.01 );
+
+ BOOST_TEST( fabs(c[0] - 1.5229) < 0.001 );
+ BOOST_TEST( fabs(c[1] - 0.0000) < 0.001 );
+ BOOST_TEST( fabs(c[2] - 0.0000) < 0.001 );
+
+ return boost::report_errors();
+}
+
--
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