diff --git a/CHANGELOG.txt b/CHANGELOG.txt
index 5ff5e61a9e97213cf0c3090c73919b1a707977f8..ce0408d24c557a3900ce27bf154b8f7c74527879 100644
--- a/CHANGELOG.txt
+++ b/CHANGELOG.txt
@@ -1,3 +1,9 @@
+Changes in Release 2.9.2
+--------------------------------------------------------------------------------
+ * Examples for comparing macromolecular complexes
+ * Documentation updates
+
+
Changes in Release 2.9.1
--------------------------------------------------------------------------------
diff --git a/CMakeLists.txt b/CMakeLists.txt
index 1a18a56bbad17a10849128f43f72b5f7915b3953..3f8063e86ff2619853b5d2b5691143e4aa9b3613 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -15,7 +15,7 @@ project(OpenStructure CXX C)
set (CMAKE_EXPORT_COMPILE_COMMANDS 1)
set (OST_VERSION_MAJOR 2)
set (OST_VERSION_MINOR 9)
-set (OST_VERSION_PATCH 1)
+set (OST_VERSION_PATCH 2)
set (OST_VERSION_STRING ${OST_VERSION_MAJOR}.${OST_VERSION_MINOR}.${OST_VERSION_PATCH} )
set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} ${PROJECT_SOURCE_DIR}/cmake_support)
include(OST)
diff --git a/README.md b/README.md
new file mode 100644
index 0000000000000000000000000000000000000000..18c02400450f4d22123cb554e9cb9085d5b79bc0
--- /dev/null
+++ b/README.md
@@ -0,0 +1,76 @@
+# OpenStructure - A computational structural biology framework
+
+OpenStructure provides a modular, flexible, molecular modelling environment
+which allows to integrate, process and visualize information of different origin
+such as sequences, alignments and 3D structures.
+
+Please refer to www.openstructure.org for more information and documentation.
+
+Thank you for your interest and enjoy the straightforward way of handling protein
+structure data!
+
+Please do not hesitate to contact us for feedback or troubleshooting:
+
+ <a href="mailto:openstructure-users@maillist.unibas.ch">openstructure-users@maillist.unibas.ch</a>
+
+## OpenStructure Installation
+
+For a simple and portable setup, we recommend using a containerized
+solution. OpenStructure provides its own Docker container registry,
+making deployment easier. Deploying a docker image just needs a
+docker pull which typically finishes in about a minute depending
+on your local hardware and internet connection. Singularity
+containers bootstrap from the docker container but must be built
+by the user. Detailed instructions can be found here:
+
+* Docker: [OpenStructure Docker Instructions](https://git.scicore.unibas.ch/schwede/openstructure/tree/master/docker)
+* Singularity: [OpenStructure Singularity Instructions](https://git.scicore.unibas.ch/schwede/openstructure/tree/master/singularity)
+
+OpenStructure is developed and tested across various Linux distributions.
+You can find detailed build instructions and a list of required dependencies here:
+https://openstructure.org/docs/install/
+
+## Getting started
+
+The installation and container instructions will help you set up
+OpenStructure for scripting. Additionally, here are some advanced
+use cases worth highlighting.
+
+### Benchmarking and Scoring
+
+OpenStructure implements a benchmarking suite for comparing macromolecular
+complexes. To get started, check out the examples in the [examples/scoring](examples/scoring)
+directory of this repository.
+
+### Modeling
+
+[ProMod3](https://git.scicore.unibas.ch/schwede/ProMod3) is a fully featured modeling engine built on top of OpenStructure.
+It powers the [SWISS-MODEL](https://swissmodel.expasy.org) web server and provides advanced modeling
+capabilities. Learn more here:
+
+[ProMod3 Documentation](https://openstructure.org/promod3)
+
+
+## Cite Us
+
+If you like our software and have used it in your research project, please cite
+the following paper on OpenStructure:
+
+ M. Biasini, T. Schmidt, S. Bienert, V. Mariani, G. Studer, J. Haas, N. Johner,
+ A.D. Schenk, A. Philippsen and T. Schwede, OpenStructure: an integrated
+ software framework for computational structural biology, Acta Cryst., 2013
+
+If you use the code or binary in OpenStructure to compute lDDT scores, please
+also cite the following reference:
+
+ V. Mariani, M. Biasini, A. Barbato, T. Schwede, lDDT : A local superposition-
+ free score for comparing protein structures and models using distance
+ difference tests, Bioinformatics, 2013
+
+If you use the code in OpenStructure to compute QS scores, please also cite the
+following reference:
+
+ M. Bertoni, F. Kiefer, M. Biasini, L. Bordoli, T. Schwede, Modeling protein
+ quaternary structure of homo- and hetero-oligomers beyond binary interactions
+ by homology, Scientific Reports, 2017
+
diff --git a/ReadMe.txt b/ReadMe.txt
deleted file mode 100644
index d7c5a2cb6b3c112d2c1365f9d72c15afd9151972..0000000000000000000000000000000000000000
--- a/ReadMe.txt
+++ /dev/null
@@ -1,37 +0,0 @@
-================= OpenStructure molecular modelling framework ==================
-
-OpenStructure provides a modular, flexible, molecular modelling environment
-which allows to integrate, process and visualize information of different origin
-such as sequences, alignments and 3D structures.
-
-Please refer to www.openstructure.org for more information and documentation.
-
-Thank you for you interest and enjoy the straightforward way of handling protein
-structure data!
-
-Please do not hesitate to contact us for feedback or troubleshooting:
-
- openstructure-users@maillist.unibas.ch
-
-If you like our software and have used it in your research project, please cite
-the following paper on OpenStructure:
-
- M. Biasini, T. Schmidt, S. Bienert, V. Mariani, G. Studer, J. Haas, N. Johner,
- A.D. Schenk, A. Philippsen and T. Schwede, OpenStructure: an integrated
- software framework for computational structural biology, Acta Cryst., 2013
-
-If you use the code or binary in OpenStructure to compute lDDT scores, please
-also cite the following reference:
-
- V. Mariani, M. Biasini, A. Barbato, T. Schwede, lDDT : A local superposition-
- free score for comparing protein structures and models using distance
- difference tests, Bioinformatics, 2013
-
-If you use the code in OpenStructure to compute QS scores, please also cite the
-following reference:
-
- M. Bertoni, F. Kiefer, M. Biasini, L. Bordoli, T. Schwede, Modeling protein
- quaternary structure of homo- and hetero-oligomers beyond binary interactions
- by homology, Scientific Reports, 2017
-
-================= The OpenStructure Team =======================================
diff --git a/deployment/CMakeLists.txt b/deployment/CMakeLists.txt
index 59e6f0867bfaff0755dca3b45941884aebe5ec8e..5fd42a93cec6994d381b55aa4e74c845fcc55718 100644
--- a/deployment/CMakeLists.txt
+++ b/deployment/CMakeLists.txt
@@ -12,7 +12,7 @@ if(${PROJECT_SOURCE_DIR} STREQUAL ${CMAKE_SOURCE_DIR})
set(CPACK_PACKAGE_DESCRIPTION_SUMMARY "OpenStructure Framework")
set(CPACK_PACKAGE_VENDOR "2008-2020 -- The OpenStructure Team")
- set(CPACK_PACKAGE_DESCRIPTION_FILE "${PROJECT_SOURCE_DIR}/ReadMe.txt")
+ set(CPACK_PACKAGE_DESCRIPTION_FILE "${PROJECT_SOURCE_DIR}/README.md")
set(CPACK_RESOURCE_FILE_LICENSE "${PROJECT_SOURCE_DIR}/LICENSE.txt")
set(CPACK_PACKAGE_VERSION_MAJOR ${OST_VERSION_MAJOR})
set(CPACK_PACKAGE_VERSION_MINOR ${OST_VERSION_MINOR})
diff --git a/docker/Dockerfile b/docker/Dockerfile
index ca4aec689de471bf06e3860c25a79d7085baf5b4..3194e284154cc2045d367d9b3480fc274a633010 100644
--- a/docker/Dockerfile
+++ b/docker/Dockerfile
@@ -2,7 +2,7 @@ FROM ubuntu:22.04
# ARGUMENTS
###########
-ARG OPENSTRUCTURE_VERSION="2.9.1"
+ARG OPENSTRUCTURE_VERSION="2.9.2"
ARG SRC_FOLDER="/usr/local/src"
ARG CPUS_FOR_MAKE=2
diff --git a/examples/scoring/README.md b/examples/scoring/README.md
new file mode 100644
index 0000000000000000000000000000000000000000..b4efd15908441d980de991eb6147359050f747d4
--- /dev/null
+++ b/examples/scoring/README.md
@@ -0,0 +1,74 @@
+Structure comparison examples
+=============================
+
+OpenStructure provides "actions" for general benchmarking use cases.
+
+* **compare-structures**: Focuses on comparisons involving polymer entities, i.e.
+ protein, DNA and RNA chains
+* **compare-ligand-structures**: Focuses on comparisons of interactions between
+ polymer entities and non-polymer entities, i.e. small molecule ligands
+
+The example commands here assume an OpenStructure installation
+(compile instructions: https://openstructure.org/docs/install/).
+Running the computations in containers provide a considerably easier setup than
+compiling OpenStructure from source. Instructions for setup and running
+equivalent computations are available for
+
+* [Docker](https://git.scicore.unibas.ch/schwede/openstructure/tree/master/docker)
+* [Singularity](https://git.scicore.unibas.ch/schwede/openstructure/tree/master/singularity)
+
+A detailed list of options can be found in the
+[action documentation](https://openstructure.org/docs/actions/).
+Alternatively, the command
+
+```
+ost <ACTION> -h
+```
+
+will list all available options of the respective action. Both actions compute
+scores on an “opt-in†basis and produce output in JSON format. Example to compute
+global and per-residue LDDT scores, as well as as QS-scores which are written to
+default output (out.json):
+
+```
+ost compare-structures -m model.pdb -r reference.cif.gz --lddt --local-lddt --qs-score
+```
+
+Results should be computed within seconds and example output can be found
+[here](compare-structures_example_out.json). We refer to the action
+documentation for in-depth description of the provided data items.
+
+By default, model-reference chains are aligned using Needleman-Wunsch.
+Many benchmarking efforts such as CASP and CAMEO assume residue numbers
+according to target sequence(s). Both "actions" allow to derive model-reference
+chain alignments according to these numbers which should be preferred in these
+cases. This can be enabled by adding a `-rna` (residue number alignment) flag:
+
+```
+ost compare-structures -m model.pdb -r reference.cif.gz --lddt --local-lddt --qs-score -rna
+```
+
+The same example also contains small molecule ligands.
+We can compute LDDT-PLI and BiSyRMSD with:
+
+```
+ost compare-ligand-structures -m model.pdb -r reference.cif.gz -ml *.sdf --rmsd --lddt-pli
+```
+
+Results should be computed within seconds and example output can be found
+[here](compare-ligand-structures_example_out.json). We refer to the action
+documentation for in-depth description of the provided data items.
+
+Again, it is advised to use the `-rna` flag if applicable. In this example,
+reference ligands are directly extracted from the provided mmCIF file based on
+"non-polymer" entity types.
+This only works in case of mmCIF input AND if the respective ligand is in the
+PDB component dictionary which defines connectivity (matching based on compound
+name).
+Container solutions come with such a dictionary which has been created at build
+time. Check the Docker/Singularity instructions linked above on how to set the
+latest dictionary, i.e. "Compound Library".
+You can override automatic extraction by providing SDF files with ligand
+coordinates and connectivity information. If the receptor is provided in
+PDB format, ligands must be provided in SDF format.
+
diff --git a/examples/scoring/compare-ligand-structures_example_out.json b/examples/scoring/compare-ligand-structures_example_out.json
new file mode 100644
index 0000000000000000000000000000000000000000..0553ba5a91f751692c59a5cefa24c9abe33f7a79
--- /dev/null
+++ b/examples/scoring/compare-ligand-structures_example_out.json
@@ -0,0 +1,533 @@
+{
+ "model_ligands": [
+ "model_ligand-1.sdf",
+ "model_ligand-2.sdf",
+ "model_ligand-3.sdf"
+ ],
+ "reference_ligands": [
+ "C.1.",
+ "D.1.",
+ "E.1."
+ ],
+ "lddt_pli": {
+ "assigned_scores": [
+ {
+ "score": 0.791304349899292,
+ "coverage": 1.0,
+ "lddt_pli_n_contacts": 1035,
+ "model_ligand": "model_ligand-1.sdf",
+ "reference_ligand": "D.1.",
+ "bs_ref_res": [
+ "A.233.",
+ "A.95.",
+ "A.38.",
+ "A.113.",
+ "A.248.",
+ "A.229.",
+ "A.57.",
+ "A.126.",
+ "A.122.",
+ "A.244.",
+ "A.36.",
+ "A.137.",
+ "A.118.",
+ "A.98.",
+ "A.127.",
+ "A.94.",
+ "A.133.",
+ "A.226.",
+ "A.246.",
+ "A.54.",
+ "A.60.",
+ "A.52.",
+ "A.91.",
+ "A.111.",
+ "A.45.",
+ "A.33.",
+ "A.228.",
+ "A.132.",
+ "A.225.",
+ "A.96.",
+ "A.116.",
+ "A.100.",
+ "A.135.",
+ "A.124.",
+ "A.34.",
+ "A.58.",
+ "A.129.",
+ "A.93.",
+ "A.101.",
+ "A.110.",
+ "A.109.",
+ "A.245.",
+ "A.232.",
+ "A.235.",
+ "A.119.",
+ "A.251.",
+ "A.153.",
+ "A.50.",
+ "A.103.",
+ "A.134.",
+ "A.130.",
+ "A.66.",
+ "A.92.",
+ "A.61.",
+ "A.63.",
+ "A.55.",
+ "A.131.",
+ "A.230.",
+ "A.247.",
+ "A.56.",
+ "A.112.",
+ "A.222.",
+ "A.64.",
+ "A.236.",
+ "A.102.",
+ "A.99.",
+ "A.65.",
+ "A.97.",
+ "A.136.",
+ "A.35.",
+ "A.62.",
+ "A.123.",
+ "A.231.",
+ "A.37.",
+ "A.49.",
+ "A.32.",
+ "A.128.",
+ "A.234.",
+ "A.125.",
+ "A.59.",
+ "A.53.",
+ "A.224.",
+ "A.120.",
+ "A.51.",
+ "A.88.",
+ "A.114.",
+ "A.227.",
+ "A.157."
+ ],
+ "bs_mdl_res": [
+ "B.54.",
+ "B.136.",
+ "B.95.",
+ "B.236.",
+ "B.62.",
+ "B.243.",
+ "B.233.",
+ "B.232.",
+ "B.130.",
+ "B.91.",
+ "B.240.",
+ "B.57.",
+ "B.132.",
+ "B.128.",
+ "B.92.",
+ "B.247.",
+ "B.244.",
+ "B.61.",
+ "B.118.",
+ "B.96.",
+ "B.55.",
+ "B.229.",
+ "B.59.",
+ "B.98.",
+ "B.51.",
+ "B.241.",
+ "B.112.",
+ "B.133.",
+ "B.129.",
+ "B.58.",
+ "B.56.",
+ "B.99.",
+ "B.110.",
+ "B.242.",
+ "B.102."
+ ]
+ },
+ {
+ "score": 0.0,
+ "coverage": 1.0,
+ "lddt_pli_n_contacts": 1338,
+ "model_ligand": "model_ligand-3.sdf",
+ "reference_ligand": "E.1.",
+ "bs_ref_res": [
+ "B.250.",
+ "B.57.",
+ "B.98.",
+ "B.36.",
+ "B.230.",
+ "B.94.",
+ "B.157.",
+ "B.112.",
+ "B.222.",
+ "B.241.",
+ "B.128.",
+ "B.54.",
+ "B.60.",
+ "B.52.",
+ "B.123.",
+ "B.231.",
+ "B.242.",
+ "B.248.",
+ "B.91.",
+ "B.137.",
+ "B.33.",
+ "B.234.",
+ "B.243.",
+ "B.133.",
+ "B.96.",
+ "B.100.",
+ "B.34.",
+ "B.120.",
+ "B.224.",
+ "B.244.",
+ "B.110.",
+ "B.58.",
+ "B.93.",
+ "B.101.",
+ "B.114.",
+ "B.227.",
+ "B.130.",
+ "B.233.",
+ "B.50.",
+ "B.103.",
+ "B.113.",
+ "B.246.",
+ "B.229.",
+ "B.122.",
+ "B.131.",
+ "B.135.",
+ "B.66.",
+ "B.61.",
+ "B.92.",
+ "B.63.",
+ "B.118.",
+ "B.55.",
+ "B.56.",
+ "B.64.",
+ "B.153.",
+ "B.99.",
+ "B.102.",
+ "B.226.",
+ "B.65.",
+ "B.134.",
+ "B.109.",
+ "B.251.",
+ "B.97.",
+ "B.35.",
+ "B.126.",
+ "B.62.",
+ "B.37.",
+ "B.245.",
+ "B.49.",
+ "B.32.",
+ "B.111.",
+ "B.127.",
+ "B.129.",
+ "B.228.",
+ "B.116.",
+ "B.53.",
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+ "B.59.",
+ "B.124.",
+ "B.51.",
+ "B.247.",
+ "B.47.",
+ "B.136.",
+ "B.88.",
+ "B.119.",
+ "B.125.",
+ "B.232.",
+ "B.132.",
+ "B.95."
+ ],
+ "bs_mdl_res": [
+ "B.70.",
+ "B.80.",
+ "B.77.",
+ "B.78.",
+ "B.79.",
+ "B.179.",
+ "B.74.",
+ "B.249.",
+ "B.252.",
+ "B.76.",
+ "B.83.",
+ "B.75.",
+ "B.253.",
+ "B.178.",
+ "B.175.",
+ "B.182.",
+ "B.255.",
+ "B.254."
+ ]
+ }
+ ],
+ "model_ligand_unassigned_reason": {
+ "model_ligand-2.sdf": [
+ "no_iso",
+ "No full isomorphic match could be found - enabling substructure_match might allow a match"
+ ]
+ },
+ "reference_ligand_unassigned_reason": {
+ "C.1.": [
+ "no_iso",
+ "No full isomorphic match could be found - enabling substructure_match might allow a match"
+ ]
+ }
+ },
+ "rmsd": {
+ "assigned_scores": [
+ {
+ "score": 1.3892921209335327,
+ "coverage": 1.0,
+ "lddt_lp": 0.9220483938256153,
+ "bb_rmsd": 0.6037176251411438,
+ "model_ligand": "model_ligand-1.sdf",
+ "reference_ligand": "D.1.",
+ "chain_mapping": {
+ "A": "B"
+ },
+ "bs_ref_res": [
+ "A.51.",
+ "A.54.",
+ "A.55.",
+ "A.57.",
+ "A.58.",
+ "A.59.",
+ "A.61.",
+ "A.91.",
+ "A.92.",
+ "A.95.",
+ "A.96.",
+ "A.99.",
+ "A.102.",
+ "A.112.",
+ "A.129.",
+ "A.132.",
+ "A.133.",
+ "A.136.",
+ "A.232.",
+ "A.233.",
+ "A.244.",
+ "A.247."
+ ],
+ "bs_ref_res_mapped": [
+ "A.51.",
+ "A.54.",
+ "A.55.",
+ "A.57.",
+ "A.58.",
+ "A.59.",
+ "A.61.",
+ "A.91.",
+ "A.92.",
+ "A.95.",
+ "A.96.",
+ "A.99.",
+ "A.102.",
+ "A.112.",
+ "A.129.",
+ "A.132.",
+ "A.133.",
+ "A.136.",
+ "A.232.",
+ "A.233.",
+ "A.244.",
+ "A.247."
+ ],
+ "bs_mdl_res_mapped": [
+ "B.51.",
+ "B.54.",
+ "B.55.",
+ "B.57.",
+ "B.58.",
+ "B.59.",
+ "B.61.",
+ "B.91.",
+ "B.92.",
+ "B.95.",
+ "B.96.",
+ "B.99.",
+ "B.102.",
+ "B.112.",
+ "B.129.",
+ "B.132.",
+ "B.133.",
+ "B.136.",
+ "B.232.",
+ "B.233.",
+ "B.244.",
+ "B.247."
+ ],
+ "inconsistent_residues": [],
+ "transform": [
+ [
+ -0.3686985373497009,
+ 0.3980128765106201,
+ 0.8400280475616455,
+ 7.079176902770996
+ ],
+ [
+ -0.8913460969924927,
+ -0.40779373049736023,
+ -0.19800609350204468,
+ -3.9579238891601562
+ ],
+ [
+ 0.26374921202659607,
+ -0.8217602968215942,
+ 0.5051202774047852,
+ 6.306806564331055
+ ],
+ [
+ 0.0,
+ 0.0,
+ 0.0,
+ 1.0
+ ]
+ ]
+ },
+ {
+ "score": 29.482725143432617,
+ "coverage": 1.0,
+ "lddt_lp": 0.9362713153035733,
+ "bb_rmsd": 0.3739512264728546,
+ "model_ligand": "model_ligand-3.sdf",
+ "reference_ligand": "E.1.",
+ "chain_mapping": {
+ "B": "B"
+ },
+ "bs_ref_res": [
+ "B.54.",
+ "B.55.",
+ "B.58.",
+ "B.59.",
+ "B.61.",
+ "B.62.",
+ "B.91.",
+ "B.92.",
+ "B.95.",
+ "B.96.",
+ "B.99.",
+ "B.102.",
+ "B.112.",
+ "B.129.",
+ "B.132.",
+ "B.133.",
+ "B.136.",
+ "B.233.",
+ "B.247."
+ ],
+ "bs_ref_res_mapped": [
+ "B.54.",
+ "B.55.",
+ "B.58.",
+ "B.59.",
+ "B.61.",
+ "B.62.",
+ "B.91.",
+ "B.92.",
+ "B.95.",
+ "B.96.",
+ "B.99.",
+ "B.102.",
+ "B.112.",
+ "B.129.",
+ "B.132.",
+ "B.133.",
+ "B.136.",
+ "B.233.",
+ "B.247."
+ ],
+ "bs_mdl_res_mapped": [
+ "B.54.",
+ "B.55.",
+ "B.58.",
+ "B.59.",
+ "B.61.",
+ "B.62.",
+ "B.91.",
+ "B.92.",
+ "B.95.",
+ "B.96.",
+ "B.99.",
+ "B.102.",
+ "B.112.",
+ "B.129.",
+ "B.132.",
+ "B.133.",
+ "B.136.",
+ "B.233.",
+ "B.247."
+ ],
+ "inconsistent_residues": [],
+ "transform": [
+ [
+ -0.5568894743919373,
+ -0.6022372841835022,
+ -0.5720000267028809,
+ 41.09874725341797
+ ],
+ [
+ -0.7276356816291809,
+ 0.021647661924362183,
+ 0.6856220960617065,
+ -26.01633644104004
+ ],
+ [
+ -0.4005247950553894,
+ 0.7980234622955322,
+ -0.4502646327018738,
+ 42.01909637451172
+ ],
+ [
+ 0.0,
+ 0.0,
+ 0.0,
+ 1.0
+ ]
+ ]
+ }
+ ],
+ "model_ligand_unassigned_reason": {
+ "model_ligand-2.sdf": [
+ "no_iso",
+ "No full isomorphic match could be found - enabling substructure_match might allow a match"
+ ]
+ },
+ "reference_ligand_unassigned_reason": {
+ "C.1.": [
+ "no_iso",
+ "No full isomorphic match could be found - enabling substructure_match might allow a match"
+ ]
+ }
+ },
+ "model": "model.pdb",
+ "reference": "reference.cif.gz",
+ "model_cleanup_log": {
+ "cleaned_residues": {
+ "no_clib": [],
+ "not_linking": []
+ },
+ "cleaned_atoms": {
+ "unknown_atoms": []
+ }
+ },
+ "reference_cleanup_log": {
+ "cleaned_residues": {
+ "no_clib": [],
+ "not_linking": []
+ },
+ "cleaned_atoms": {
+ "unknown_atoms": []
+ }
+ },
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diff --git a/examples/scoring/compare-structures_example_out.json b/examples/scoring/compare-structures_example_out.json
new file mode 100644
index 0000000000000000000000000000000000000000..716f9229571292e850993aa3027ab804b06b21c4
--- /dev/null
+++ b/examples/scoring/compare-structures_example_out.json
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diff --git a/examples/scoring/model.pdb b/examples/scoring/model.pdb
new file mode 100644
index 0000000000000000000000000000000000000000..88a227466969e04e2cbd50c5211412b0ed9706e2
--- /dev/null
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+ATOM 8 N ALA A 20 8.296 -4.162 42.643 1.00 0.89 N
+ATOM 9 CA ALA A 20 8.693 -3.123 41.718 1.00 0.89 C
+ATOM 10 C ALA A 20 8.920 -1.763 42.370 1.00 0.89 C
+ATOM 11 O ALA A 20 9.924 -1.104 42.134 1.00 0.89 O
+ATOM 12 CB ALA A 20 7.623 -3.015 40.624 1.00 0.89 C
+ATOM 13 N ASP A 21 8.016 -1.357 43.279 1.00 0.87 N
+ATOM 14 CA ASP A 21 8.089 -0.131 44.047 1.00 0.87 C
+ATOM 15 C ASP A 21 9.391 -0.001 44.850 1.00 0.87 C
+ATOM 16 O ASP A 21 10.077 1.021 44.802 1.00 0.87 O
+ATOM 17 CB ASP A 21 6.786 -0.126 44.902 1.00 0.87 C
+ATOM 18 CG ASP A 21 6.976 0.424 46.307 1.00 0.87 C
+ATOM 19 OD1 ASP A 21 7.082 1.665 46.443 1.00 0.87 O
+ATOM 20 OD2 ASP A 21 7.108 -0.437 47.216 1.00 0.87 O
+ATOM 21 N GLN A 22 9.794 -1.077 45.543 1.00 0.83 N
+ATOM 22 CA GLN A 22 11.038 -1.168 46.274 1.00 0.83 C
+ATOM 23 C GLN A 22 12.256 -0.990 45.386 1.00 0.83 C
+ATOM 24 O GLN A 22 13.223 -0.340 45.771 1.00 0.83 O
+ATOM 25 CB GLN A 22 11.109 -2.539 46.976 1.00 0.83 C
+ATOM 26 CG GLN A 22 10.101 -2.667 48.141 1.00 0.83 C
+ATOM 27 CD GLN A 22 9.823 -4.124 48.500 1.00 0.83 C
+ATOM 28 OE1 GLN A 22 10.376 -5.069 47.923 1.00 0.83 O
+ATOM 29 NE2 GLN A 22 8.868 -4.329 49.433 1.00 0.83 N
+ATOM 30 N MET A 23 12.240 -1.542 44.152 1.00 0.86 N
+ATOM 31 CA MET A 23 13.316 -1.312 43.207 1.00 0.86 C
+ATOM 32 C MET A 23 13.444 0.151 42.796 1.00 0.86 C
+ATOM 33 O MET A 23 14.548 0.685 42.750 1.00 0.86 O
+ATOM 34 CB MET A 23 13.185 -2.175 41.930 1.00 0.86 C
+ATOM 35 CG MET A 23 13.078 -3.702 42.131 1.00 0.86 C
+ATOM 36 SD MET A 23 14.523 -4.532 42.839 1.00 0.86 S
+ATOM 37 CE MET A 23 14.078 -4.476 44.598 1.00 0.86 C
+ATOM 38 N VAL A 24 12.323 0.855 42.519 1.00 0.89 N
+ATOM 39 CA VAL A 24 12.351 2.270 42.154 1.00 0.89 C
+ATOM 40 C VAL A 24 12.860 3.145 43.278 1.00 0.89 C
+ATOM 41 O VAL A 24 13.757 3.962 43.095 1.00 0.89 O
+ATOM 42 CB VAL A 24 10.970 2.807 41.781 1.00 0.89 C
+ATOM 43 CG1 VAL A 24 11.064 4.258 41.271 1.00 0.89 C
+ATOM 44 CG2 VAL A 24 10.315 1.933 40.714 1.00 0.89 C
+ATOM 45 N SER A 25 12.324 2.950 44.494 1.00 0.88 N
+ATOM 46 CA SER A 25 12.685 3.709 45.679 1.00 0.88 C
+ATOM 47 C SER A 25 14.138 3.516 46.047 1.00 0.88 C
+ATOM 48 O SER A 25 14.867 4.470 46.285 1.00 0.88 O
+ATOM 49 CB SER A 25 11.745 3.329 46.842 1.00 0.88 C
+ATOM 50 OG SER A 25 10.405 3.664 46.468 1.00 0.88 O
+ATOM 51 N ALA A 26 14.638 2.267 45.975 1.00 0.91 N
+ATOM 52 CA ALA A 26 16.043 1.977 46.144 1.00 0.91 C
+ATOM 53 C ALA A 26 16.947 2.644 45.116 1.00 0.91 C
+ATOM 54 O ALA A 26 17.993 3.185 45.459 1.00 0.91 O
+ATOM 55 CB ALA A 26 16.247 0.454 46.092 1.00 0.91 C
+ATOM 56 N LEU A 27 16.564 2.648 43.823 1.00 0.90 N
+ATOM 57 CA LEU A 27 17.313 3.355 42.803 1.00 0.90 C
+ATOM 58 C LEU A 27 17.286 4.875 42.967 1.00 0.90 C
+ATOM 59 O LEU A 27 18.309 5.533 42.799 1.00 0.90 O
+ATOM 60 CB LEU A 27 16.869 2.946 41.380 1.00 0.90 C
+ATOM 61 CG LEU A 27 17.185 1.487 40.973 1.00 0.90 C
+ATOM 62 CD1 LEU A 27 16.566 1.175 39.602 1.00 0.90 C
+ATOM 63 CD2 LEU A 27 18.693 1.194 40.934 1.00 0.90 C
+ATOM 64 N LEU A 28 16.134 5.476 43.338 1.00 0.89 N
+ATOM 65 CA LEU A 28 16.038 6.900 43.634 1.00 0.89 C
+ATOM 66 C LEU A 28 16.897 7.318 44.829 1.00 0.89 C
+ATOM 67 O LEU A 28 17.639 8.297 44.760 1.00 0.89 O
+ATOM 68 CB LEU A 28 14.572 7.336 43.882 1.00 0.89 C
+ATOM 69 CG LEU A 28 13.625 7.278 42.661 1.00 0.89 C
+ATOM 70 CD1 LEU A 28 12.194 7.610 43.109 1.00 0.89 C
+ATOM 71 CD2 LEU A 28 14.038 8.225 41.524 1.00 0.89 C
+ATOM 72 N ASP A 29 16.887 6.523 45.922 1.00 0.89 N
+ATOM 73 CA ASP A 29 17.684 6.747 47.118 1.00 0.89 C
+ATOM 74 C ASP A 29 19.171 6.494 46.877 1.00 0.89 C
+ATOM 75 O ASP A 29 20.050 6.853 47.669 1.00 0.89 O
+ATOM 76 CB ASP A 29 17.219 5.797 48.251 1.00 0.89 C
+ATOM 77 CG ASP A 29 15.841 6.151 48.798 1.00 0.89 C
+ATOM 78 OD1 ASP A 29 15.309 7.241 48.470 1.00 0.89 O
+ATOM 79 OD2 ASP A 29 15.327 5.323 49.595 1.00 0.89 O
+ATOM 80 N ALA A 30 19.509 5.849 45.749 1.00 0.91 N
+ATOM 81 CA ALA A 30 20.866 5.551 45.395 1.00 0.91 C
+ATOM 82 C ALA A 30 21.499 6.588 44.495 1.00 0.91 C
+ATOM 83 O ALA A 30 22.693 6.483 44.215 1.00 0.91 O
+ATOM 84 CB ALA A 30 20.917 4.184 44.695 1.00 0.91 C
+ATOM 85 N GLU A 31 20.752 7.620 44.049 1.00 0.88 N
+ATOM 86 CA GLU A 31 21.281 8.597 43.116 1.00 0.88 C
+ATOM 87 C GLU A 31 22.529 9.338 43.615 1.00 0.88 C
+ATOM 88 O GLU A 31 22.587 9.754 44.775 1.00 0.88 O
+ATOM 89 CB GLU A 31 20.209 9.620 42.663 1.00 0.88 C
+ATOM 90 CG GLU A 31 19.387 9.141 41.437 1.00 0.88 C
+ATOM 91 CD GLU A 31 20.250 8.779 40.239 1.00 0.88 C
+ATOM 92 OE1 GLU A 31 20.428 7.566 39.947 1.00 0.88 O
+ATOM 93 OE2 GLU A 31 20.826 9.668 39.559 1.00 0.88 O
+ATOM 94 N PRO A 32 23.571 9.506 42.800 1.00 0.93 N
+ATOM 95 CA PRO A 32 24.808 10.122 43.243 1.00 0.93 C
+ATOM 96 C PRO A 32 24.672 11.637 43.332 1.00 0.93 C
+ATOM 97 O PRO A 32 23.857 12.202 42.597 1.00 0.93 O
+ATOM 98 CB PRO A 32 25.815 9.707 42.158 1.00 0.93 C
+ATOM 99 CG PRO A 32 24.972 9.575 40.889 1.00 0.93 C
+ATOM 100 CD PRO A 32 23.659 9.016 41.423 1.00 0.93 C
+ATOM 101 N PRO A 33 25.396 12.334 44.205 1.00 0.92 N
+ATOM 102 CA PRO A 33 25.366 13.788 44.252 1.00 0.92 C
+ATOM 103 C PRO A 33 25.842 14.441 42.965 1.00 0.92 C
+ATOM 104 O PRO A 33 26.705 13.911 42.264 1.00 0.92 O
+ATOM 105 CB PRO A 33 26.295 14.130 45.426 1.00 0.92 C
+ATOM 106 CG PRO A 33 27.323 12.997 45.418 1.00 0.92 C
+ATOM 107 CD PRO A 33 26.484 11.782 45.020 1.00 0.92 C
+ATOM 108 N ILE A 34 25.292 15.622 42.635 1.00 0.89 N
+ATOM 109 CA ILE A 34 25.728 16.380 41.478 1.00 0.89 C
+ATOM 110 C ILE A 34 26.992 17.139 41.829 1.00 0.89 C
+ATOM 111 O ILE A 34 27.003 18.023 42.686 1.00 0.89 O
+ATOM 112 CB ILE A 34 24.653 17.333 40.966 1.00 0.89 C
+ATOM 113 CG1 ILE A 34 23.437 16.527 40.454 1.00 0.89 C
+ATOM 114 CG2 ILE A 34 25.225 18.232 39.846 1.00 0.89 C
+ATOM 115 CD1 ILE A 34 22.224 17.398 40.112 1.00 0.89 C
+ATOM 116 N LEU A 35 28.113 16.797 41.175 1.00 0.89 N
+ATOM 117 CA LEU A 35 29.389 17.392 41.491 1.00 0.89 C
+ATOM 118 C LEU A 35 29.657 18.663 40.706 1.00 0.89 C
+ATOM 119 O LEU A 35 29.153 18.885 39.607 1.00 0.89 O
+ATOM 120 CB LEU A 35 30.553 16.407 41.258 1.00 0.89 C
+ATOM 121 CG LEU A 35 30.452 15.080 42.034 1.00 0.89 C
+ATOM 122 CD1 LEU A 35 31.728 14.272 41.787 1.00 0.89 C
+ATOM 123 CD2 LEU A 35 30.234 15.272 43.542 1.00 0.89 C
+ATOM 124 N TYR A 36 30.491 19.549 41.280 1.00 0.86 N
+ATOM 125 CA TYR A 36 30.926 20.772 40.640 1.00 0.86 C
+ATOM 126 C TYR A 36 32.275 20.549 39.973 1.00 0.86 C
+ATOM 127 O TYR A 36 33.094 19.743 40.415 1.00 0.86 O
+ATOM 128 CB TYR A 36 31.016 21.942 41.654 1.00 0.86 C
+ATOM 129 CG TYR A 36 29.653 22.537 41.912 1.00 0.86 C
+ATOM 130 CD1 TYR A 36 28.649 21.815 42.581 1.00 0.86 C
+ATOM 131 CD2 TYR A 36 29.362 23.840 41.474 1.00 0.86 C
+ATOM 132 CE1 TYR A 36 27.372 22.363 42.761 1.00 0.86 C
+ATOM 133 CE2 TYR A 36 28.090 24.396 41.661 1.00 0.86 C
+ATOM 134 CZ TYR A 36 27.092 23.649 42.293 1.00 0.86 C
+ATOM 135 OH TYR A 36 25.803 24.189 42.452 1.00 0.86 O
+ATOM 136 N SER A 37 32.549 21.259 38.863 1.00 0.84 N
+ATOM 137 CA SER A 37 33.754 21.045 38.071 1.00 0.84 C
+ATOM 138 C SER A 37 34.970 21.772 38.590 1.00 0.84 C
+ATOM 139 O SER A 37 36.079 21.488 38.163 1.00 0.84 O
+ATOM 140 CB SER A 37 33.570 21.540 36.615 1.00 0.84 C
+ATOM 141 OG SER A 37 33.238 22.931 36.582 1.00 0.84 O
+ATOM 142 N GLU A 38 34.745 22.749 39.490 1.00 0.76 N
+ATOM 143 CA GLU A 38 35.743 23.675 40.001 1.00 0.76 C
+ATOM 144 C GLU A 38 36.147 24.731 38.971 1.00 0.76 C
+ATOM 145 O GLU A 38 37.179 25.384 39.082 1.00 0.76 O
+ATOM 146 CB GLU A 38 36.953 22.981 40.675 1.00 0.76 C
+ATOM 147 CG GLU A 38 36.527 21.880 41.681 1.00 0.76 C
+ATOM 148 CD GLU A 38 37.677 20.969 42.110 1.00 0.76 C
+ATOM 149 OE1 GLU A 38 38.611 21.450 42.791 1.00 0.76 O
+ATOM 150 OE2 GLU A 38 37.588 19.758 41.770 1.00 0.76 O
+ATOM 151 N TYR A 39 35.291 24.965 37.944 1.00 0.71 N
+ATOM 152 CA TYR A 39 35.403 26.074 37.005 1.00 0.71 C
+ATOM 153 C TYR A 39 35.599 27.443 37.665 1.00 0.71 C
+ATOM 154 O TYR A 39 34.786 27.884 38.478 1.00 0.71 O
+ATOM 155 CB TYR A 39 34.165 26.094 36.052 1.00 0.71 C
+ATOM 156 CG TYR A 39 34.134 27.233 35.061 1.00 0.71 C
+ATOM 157 CD1 TYR A 39 35.030 27.277 33.982 1.00 0.71 C
+ATOM 158 CD2 TYR A 39 33.187 28.264 35.197 1.00 0.71 C
+ATOM 159 CE1 TYR A 39 34.976 28.330 33.057 1.00 0.71 C
+ATOM 160 CE2 TYR A 39 33.135 29.317 34.273 1.00 0.71 C
+ATOM 161 CZ TYR A 39 34.035 29.351 33.207 1.00 0.71 C
+ATOM 162 OH TYR A 39 33.992 30.409 32.281 1.00 0.71 O
+ATOM 163 N ASP A 40 36.683 28.134 37.266 1.00 0.73 N
+ATOM 164 CA ASP A 40 37.032 29.472 37.682 1.00 0.73 C
+ATOM 165 C ASP A 40 36.925 30.383 36.465 1.00 0.73 C
+ATOM 166 O ASP A 40 37.706 30.214 35.522 1.00 0.73 O
+ATOM 167 CB ASP A 40 38.491 29.474 38.202 1.00 0.73 C
+ATOM 168 CG ASP A 40 39.027 30.812 38.682 1.00 0.73 C
+ATOM 169 OD1 ASP A 40 38.406 31.862 38.386 1.00 0.73 O
+ATOM 170 OD2 ASP A 40 40.134 30.794 39.259 1.00 0.73 O
+ATOM 171 N PRO A 41 36.030 31.366 36.430 1.00 0.69 N
+ATOM 172 CA PRO A 41 35.946 32.291 35.313 1.00 0.69 C
+ATOM 173 C PRO A 41 37.119 33.234 35.208 1.00 0.69 C
+ATOM 174 O PRO A 41 37.201 33.956 34.221 1.00 0.69 O
+ATOM 175 CB PRO A 41 34.662 33.097 35.575 1.00 0.69 C
+ATOM 176 CG PRO A 41 33.831 32.225 36.517 1.00 0.69 C
+ATOM 177 CD PRO A 41 34.880 31.471 37.329 1.00 0.69 C
+ATOM 178 N THR A 42 38.011 33.301 36.208 1.00 0.67 N
+ATOM 179 CA THR A 42 39.128 34.222 36.156 1.00 0.67 C
+ATOM 180 C THR A 42 40.316 33.648 35.408 1.00 0.67 C
+ATOM 181 O THR A 42 41.200 34.374 34.952 1.00 0.67 O
+ATOM 182 CB THR A 42 39.575 34.681 37.532 1.00 0.67 C
+ATOM 183 OG1 THR A 42 40.198 33.660 38.249 1.00 0.67 O
+ATOM 184 CG2 THR A 42 38.419 35.264 38.360 1.00 0.67 C
+ATOM 185 N ARG A 43 40.355 32.318 35.213 1.00 0.62 N
+ATOM 186 CA ARG A 43 41.411 31.682 34.463 1.00 0.62 C
+ATOM 187 C ARG A 43 41.168 31.722 32.956 1.00 0.62 C
+ATOM 188 O ARG A 43 40.024 31.619 32.513 1.00 0.62 O
+ATOM 189 CB ARG A 43 41.580 30.209 34.898 1.00 0.62 C
+ATOM 190 CG ARG A 43 42.209 30.081 36.299 1.00 0.62 C
+ATOM 191 CD ARG A 43 42.549 28.648 36.719 1.00 0.62 C
+ATOM 192 NE ARG A 43 43.581 28.150 35.748 1.00 0.62 N
+ATOM 193 CZ ARG A 43 44.152 26.940 35.786 1.00 0.62 C
+ATOM 194 NH1 ARG A 43 43.861 26.058 36.737 1.00 0.62 N
+ATOM 195 NH2 ARG A 43 45.037 26.613 34.845 1.00 0.62 N
+ATOM 196 N PRO A 44 42.183 31.844 32.093 1.00 0.67 N
+ATOM 197 CA PRO A 44 42.018 31.596 30.667 1.00 0.67 C
+ATOM 198 C PRO A 44 41.528 30.190 30.366 1.00 0.67 C
+ATOM 199 O PRO A 44 42.169 29.207 30.750 1.00 0.67 O
+ATOM 200 CB PRO A 44 43.397 31.896 30.062 1.00 0.67 C
+ATOM 201 CG PRO A 44 44.377 31.661 31.215 1.00 0.67 C
+ATOM 202 CD PRO A 44 43.581 32.107 32.442 1.00 0.67 C
+ATOM 203 N PHE A 45 40.393 30.073 29.655 1.00 0.68 N
+ATOM 204 CA PHE A 45 39.770 28.810 29.313 1.00 0.68 C
+ATOM 205 C PHE A 45 40.449 28.144 28.124 1.00 0.68 C
+ATOM 206 O PHE A 45 39.895 27.965 27.040 1.00 0.68 O
+ATOM 207 CB PHE A 45 38.258 29.035 29.087 1.00 0.68 C
+ATOM 208 CG PHE A 45 37.447 27.778 29.237 1.00 0.68 C
+ATOM 209 CD1 PHE A 45 37.272 27.198 30.504 1.00 0.68 C
+ATOM 210 CD2 PHE A 45 36.795 27.208 28.133 1.00 0.68 C
+ATOM 211 CE1 PHE A 45 36.449 26.077 30.668 1.00 0.68 C
+ATOM 212 CE2 PHE A 45 35.971 26.089 28.293 1.00 0.68 C
+ATOM 213 CZ PHE A 45 35.796 25.526 29.562 1.00 0.68 C
+ATOM 214 N SER A 46 41.720 27.768 28.320 1.00 0.71 N
+ATOM 215 CA SER A 46 42.469 26.915 27.433 1.00 0.71 C
+ATOM 216 C SER A 46 41.899 25.514 27.368 1.00 0.71 C
+ATOM 217 O SER A 46 41.233 25.033 28.281 1.00 0.71 O
+ATOM 218 CB SER A 46 43.976 26.859 27.805 1.00 0.71 C
+ATOM 219 OG SER A 46 44.206 26.242 29.077 1.00 0.71 O
+ATOM 220 N GLU A 47 42.151 24.792 26.262 1.00 0.64 N
+ATOM 221 CA GLU A 47 41.685 23.424 26.097 1.00 0.64 C
+ATOM 222 C GLU A 47 42.207 22.510 27.193 1.00 0.64 C
+ATOM 223 O GLU A 47 41.476 21.710 27.771 1.00 0.64 O
+ATOM 224 CB GLU A 47 42.140 22.883 24.727 1.00 0.64 C
+ATOM 225 CG GLU A 47 41.571 21.488 24.367 1.00 0.64 C
+ATOM 226 CD GLU A 47 42.267 20.839 23.168 1.00 0.64 C
+ATOM 227 OE1 GLU A 47 41.852 19.695 22.837 1.00 0.64 O
+ATOM 228 OE2 GLU A 47 43.224 21.450 22.627 1.00 0.64 O
+ATOM 229 N ALA A 48 43.488 22.688 27.570 1.00 0.69 N
+ATOM 230 CA ALA A 48 44.090 22.010 28.690 1.00 0.69 C
+ATOM 231 C ALA A 48 43.411 22.276 30.028 1.00 0.69 C
+ATOM 232 O ALA A 48 43.228 21.358 30.826 1.00 0.69 O
+ATOM 233 CB ALA A 48 45.578 22.391 28.767 1.00 0.69 C
+ATOM 234 N SER A 49 42.992 23.529 30.318 1.00 0.74 N
+ATOM 235 CA SER A 49 42.227 23.790 31.524 1.00 0.74 C
+ATOM 236 C SER A 49 40.848 23.165 31.502 1.00 0.74 C
+ATOM 237 O SER A 49 40.458 22.511 32.465 1.00 0.74 O
+ATOM 238 CB SER A 49 42.170 25.291 31.914 1.00 0.74 C
+ATOM 239 OG SER A 49 41.365 26.066 31.033 1.00 0.74 O
+ATOM 240 N MET A 50 40.104 23.265 30.383 1.00 0.71 N
+ATOM 241 CA MET A 50 38.814 22.611 30.251 1.00 0.71 C
+ATOM 242 C MET A 50 38.880 21.100 30.352 1.00 0.71 C
+ATOM 243 O MET A 50 38.141 20.489 31.124 1.00 0.71 O
+ATOM 244 CB MET A 50 38.158 22.961 28.899 1.00 0.71 C
+ATOM 245 CG MET A 50 36.778 22.298 28.689 1.00 0.71 C
+ATOM 246 SD MET A 50 35.902 22.812 27.189 1.00 0.71 S
+ATOM 247 CE MET A 50 37.154 22.176 26.054 1.00 0.71 C
+ATOM 248 N MET A 51 39.804 20.449 29.621 1.00 0.71 N
+ATOM 249 CA MET A 51 39.986 19.013 29.691 1.00 0.71 C
+ATOM 250 C MET A 51 40.407 18.557 31.074 1.00 0.71 C
+ATOM 251 O MET A 51 39.934 17.539 31.567 1.00 0.71 O
+ATOM 252 CB MET A 51 40.977 18.497 28.625 1.00 0.71 C
+ATOM 253 CG MET A 51 40.371 18.374 27.208 1.00 0.71 C
+ATOM 254 SD MET A 51 38.896 17.305 27.050 1.00 0.71 S
+ATOM 255 CE MET A 51 39.573 15.793 27.793 1.00 0.71 C
+ATOM 256 N GLY A 52 41.260 19.334 31.774 1.00 0.77 N
+ATOM 257 CA GLY A 52 41.588 19.056 33.167 1.00 0.77 C
+ATOM 258 C GLY A 52 40.418 19.132 34.116 1.00 0.77 C
+ATOM 259 O GLY A 52 40.282 18.285 34.996 1.00 0.77 O
+ATOM 260 N LEU A 53 39.505 20.109 33.935 1.00 0.79 N
+ATOM 261 CA LEU A 53 38.278 20.167 34.712 1.00 0.79 C
+ATOM 262 C LEU A 53 37.365 18.975 34.441 1.00 0.79 C
+ATOM 263 O LEU A 53 36.842 18.350 35.362 1.00 0.79 O
+ATOM 264 CB LEU A 53 37.469 21.463 34.439 1.00 0.79 C
+ATOM 265 CG LEU A 53 38.146 22.798 34.817 1.00 0.79 C
+ATOM 266 CD1 LEU A 53 37.220 23.961 34.433 1.00 0.79 C
+ATOM 267 CD2 LEU A 53 38.526 22.906 36.298 1.00 0.79 C
+ATOM 268 N LEU A 54 37.173 18.607 33.158 1.00 0.79 N
+ATOM 269 CA LEU A 54 36.339 17.484 32.767 1.00 0.79 C
+ATOM 270 C LEU A 54 36.879 16.136 33.223 1.00 0.79 C
+ATOM 271 O LEU A 54 36.136 15.300 33.732 1.00 0.79 O
+ATOM 272 CB LEU A 54 36.107 17.466 31.237 1.00 0.79 C
+ATOM 273 CG LEU A 54 35.311 18.668 30.686 1.00 0.79 C
+ATOM 274 CD1 LEU A 54 35.311 18.652 29.151 1.00 0.79 C
+ATOM 275 CD2 LEU A 54 33.863 18.683 31.193 1.00 0.79 C
+ATOM 276 N THR A 55 38.199 15.904 33.088 1.00 0.76 N
+ATOM 277 CA THR A 55 38.861 14.693 33.567 1.00 0.76 C
+ATOM 278 C THR A 55 38.743 14.527 35.067 1.00 0.76 C
+ATOM 279 O THR A 55 38.284 13.498 35.551 1.00 0.76 O
+ATOM 280 CB THR A 55 40.336 14.687 33.183 1.00 0.76 C
+ATOM 281 OG1 THR A 55 40.462 14.584 31.770 1.00 0.76 O
+ATOM 282 CG2 THR A 55 41.096 13.495 33.777 1.00 0.76 C
+ATOM 283 N ASN A 56 39.055 15.582 35.854 1.00 0.79 N
+ATOM 284 CA ASN A 56 38.948 15.524 37.301 1.00 0.79 C
+ATOM 285 C ASN A 56 37.510 15.336 37.781 1.00 0.79 C
+ATOM 286 O ASN A 56 37.252 14.611 38.741 1.00 0.79 O
+ATOM 287 CB ASN A 56 39.605 16.779 37.929 1.00 0.79 C
+ATOM 288 CG ASN A 56 39.609 16.713 39.448 1.00 0.79 C
+ATOM 289 OD1 ASN A 56 38.734 17.280 40.106 1.00 0.79 O
+ATOM 290 ND2 ASN A 56 40.574 15.982 40.037 1.00 0.79 N
+ATOM 291 N LEU A 57 36.531 15.970 37.106 1.00 0.86 N
+ATOM 292 CA LEU A 57 35.124 15.758 37.386 1.00 0.86 C
+ATOM 293 C LEU A 57 34.701 14.310 37.193 1.00 0.86 C
+ATOM 294 O LEU A 57 34.068 13.720 38.067 1.00 0.86 O
+ATOM 295 CB LEU A 57 34.289 16.684 36.473 1.00 0.86 C
+ATOM 296 CG LEU A 57 32.759 16.587 36.602 1.00 0.86 C
+ATOM 297 CD1 LEU A 57 32.266 17.018 37.987 1.00 0.86 C
+ATOM 298 CD2 LEU A 57 32.098 17.450 35.520 1.00 0.86 C
+ATOM 299 N ALA A 58 35.117 13.681 36.078 1.00 0.84 N
+ATOM 300 CA ALA A 58 34.864 12.286 35.803 1.00 0.84 C
+ATOM 301 C ALA A 58 35.522 11.334 36.796 1.00 0.84 C
+ATOM 302 O ALA A 58 34.894 10.383 37.266 1.00 0.84 O
+ATOM 303 CB ALA A 58 35.313 11.984 34.366 1.00 0.84 C
+ATOM 304 N ASP A 59 36.784 11.608 37.194 1.00 0.79 N
+ATOM 305 CA ASP A 59 37.478 10.866 38.230 1.00 0.79 C
+ATOM 306 C ASP A 59 36.729 10.906 39.562 1.00 0.79 C
+ATOM 307 O ASP A 59 36.513 9.890 40.225 1.00 0.79 O
+ATOM 308 CB ASP A 59 38.886 11.472 38.469 1.00 0.79 C
+ATOM 309 CG ASP A 59 39.845 11.235 37.311 1.00 0.79 C
+ATOM 310 OD1 ASP A 59 39.788 10.141 36.697 1.00 0.79 O
+ATOM 311 OD2 ASP A 59 40.695 12.138 37.091 1.00 0.79 O
+ATOM 312 N ARG A 60 36.255 12.102 39.969 1.00 0.80 N
+ATOM 313 CA ARG A 60 35.433 12.258 41.149 1.00 0.80 C
+ATOM 314 C ARG A 60 34.059 11.595 41.032 1.00 0.80 C
+ATOM 315 O ARG A 60 33.603 10.954 41.980 1.00 0.80 O
+ATOM 316 CB ARG A 60 35.310 13.745 41.570 1.00 0.80 C
+ATOM 317 CG ARG A 60 36.611 14.344 42.152 1.00 0.80 C
+ATOM 318 CD ARG A 60 36.484 15.788 42.674 1.00 0.80 C
+ATOM 319 NE ARG A 60 36.500 16.721 41.510 1.00 0.80 N
+ATOM 320 CZ ARG A 60 35.538 17.566 41.127 1.00 0.80 C
+ATOM 321 NH1 ARG A 60 34.333 17.573 41.673 1.00 0.80 N
+ATOM 322 NH2 ARG A 60 35.812 18.449 40.172 1.00 0.80 N
+ATOM 323 N GLU A 61 33.370 11.689 39.868 1.00 0.87 N
+ATOM 324 CA GLU A 61 32.099 11.012 39.620 1.00 0.87 C
+ATOM 325 C GLU A 61 32.218 9.487 39.737 1.00 0.87 C
+ATOM 326 O GLU A 61 31.315 8.822 40.248 1.00 0.87 O
+ATOM 327 CB GLU A 61 31.422 11.389 38.257 1.00 0.87 C
+ATOM 328 CG GLU A 61 30.716 12.784 38.191 1.00 0.87 C
+ATOM 329 CD GLU A 61 29.897 13.055 36.907 1.00 0.87 C
+ATOM 330 OE1 GLU A 61 30.525 13.317 35.852 1.00 0.87 O
+ATOM 331 OE2 GLU A 61 28.629 13.060 36.952 1.00 0.87 O
+ATOM 332 N LEU A 62 33.353 8.884 39.316 1.00 0.84 N
+ATOM 333 CA LEU A 62 33.580 7.446 39.372 1.00 0.84 C
+ATOM 334 C LEU A 62 33.476 6.845 40.772 1.00 0.84 C
+ATOM 335 O LEU A 62 32.893 5.780 40.957 1.00 0.84 O
+ATOM 336 CB LEU A 62 34.951 7.080 38.752 1.00 0.84 C
+ATOM 337 CG LEU A 62 35.199 5.571 38.522 1.00 0.84 C
+ATOM 338 CD1 LEU A 62 34.284 4.988 37.435 1.00 0.84 C
+ATOM 339 CD2 LEU A 62 36.662 5.317 38.135 1.00 0.84 C
+ATOM 340 N VAL A 63 33.984 7.532 41.817 1.00 0.79 N
+ATOM 341 CA VAL A 63 33.870 7.073 43.201 1.00 0.79 C
+ATOM 342 C VAL A 63 32.417 6.936 43.645 1.00 0.79 C
+ATOM 343 O VAL A 63 31.991 5.933 44.218 1.00 0.79 O
+ATOM 344 CB VAL A 63 34.601 8.015 44.154 1.00 0.79 C
+ATOM 345 CG1 VAL A 63 34.570 7.472 45.598 1.00 0.79 C
+ATOM 346 CG2 VAL A 63 36.064 8.180 43.701 1.00 0.79 C
+ATOM 347 N HIS A 64 31.587 7.941 43.313 1.00 0.84 N
+ATOM 348 CA HIS A 64 30.159 7.905 43.559 1.00 0.84 C
+ATOM 349 C HIS A 64 29.429 6.861 42.732 1.00 0.84 C
+ATOM 350 O HIS A 64 28.477 6.237 43.195 1.00 0.84 O
+ATOM 351 CB HIS A 64 29.531 9.291 43.352 1.00 0.84 C
+ATOM 352 CG HIS A 64 30.097 10.287 44.314 1.00 0.84 C
+ATOM 353 ND1 HIS A 64 29.701 10.258 45.638 1.00 0.84 N
+ATOM 354 CD2 HIS A 64 31.047 11.237 44.128 1.00 0.84 C
+ATOM 355 CE1 HIS A 64 30.416 11.195 46.229 1.00 0.84 C
+ATOM 356 NE2 HIS A 64 31.250 11.819 45.360 1.00 0.84 N
+ATOM 357 N MET A 65 29.876 6.610 41.488 1.00 0.87 N
+ATOM 358 CA MET A 65 29.358 5.545 40.651 1.00 0.87 C
+ATOM 359 C MET A 65 29.540 4.157 41.249 1.00 0.87 C
+ATOM 360 O MET A 65 28.637 3.329 41.181 1.00 0.87 O
+ATOM 361 CB MET A 65 30.001 5.592 39.250 1.00 0.87 C
+ATOM 362 CG MET A 65 29.319 4.676 38.214 1.00 0.87 C
+ATOM 363 SD MET A 65 30.272 4.433 36.686 1.00 0.87 S
+ATOM 364 CE MET A 65 30.342 6.166 36.156 1.00 0.87 C
+ATOM 365 N ILE A 66 30.688 3.871 41.894 1.00 0.84 N
+ATOM 366 CA ILE A 66 30.890 2.628 42.631 1.00 0.84 C
+ATOM 367 C ILE A 66 29.903 2.480 43.786 1.00 0.84 C
+ATOM 368 O ILE A 66 29.276 1.434 43.960 1.00 0.84 O
+ATOM 369 CB ILE A 66 32.323 2.516 43.144 1.00 0.84 C
+ATOM 370 CG1 ILE A 66 33.362 2.521 41.996 1.00 0.84 C
+ATOM 371 CG2 ILE A 66 32.500 1.261 44.025 1.00 0.84 C
+ATOM 372 CD1 ILE A 66 33.331 1.302 41.073 1.00 0.84 C
+ATOM 373 N ASN A 67 29.680 3.561 44.563 1.00 0.82 N
+ATOM 374 CA ASN A 67 28.679 3.585 45.619 1.00 0.82 C
+ATOM 375 C ASN A 67 27.258 3.355 45.107 1.00 0.82 C
+ATOM 376 O ASN A 67 26.486 2.606 45.701 1.00 0.82 O
+ATOM 377 CB ASN A 67 28.710 4.929 46.388 1.00 0.82 C
+ATOM 378 CG ASN A 67 30.018 5.089 47.154 1.00 0.82 C
+ATOM 379 OD1 ASN A 67 30.708 4.131 47.498 1.00 0.82 O
+ATOM 380 ND2 ASN A 67 30.357 6.359 47.479 1.00 0.82 N
+ATOM 381 N TRP A 68 26.885 3.981 43.974 1.00 0.87 N
+ATOM 382 CA TRP A 68 25.617 3.755 43.307 1.00 0.87 C
+ATOM 383 C TRP A 68 25.471 2.332 42.790 1.00 0.87 C
+ATOM 384 O TRP A 68 24.434 1.701 42.979 1.00 0.87 O
+ATOM 385 CB TRP A 68 25.447 4.786 42.157 1.00 0.87 C
+ATOM 386 CG TRP A 68 24.302 4.522 41.184 1.00 0.87 C
+ATOM 387 CD1 TRP A 68 22.970 4.786 41.319 1.00 0.87 C
+ATOM 388 CD2 TRP A 68 24.458 3.787 39.967 1.00 0.87 C
+ATOM 389 NE1 TRP A 68 22.281 4.272 40.252 1.00 0.87 N
+ATOM 390 CE2 TRP A 68 23.151 3.625 39.419 1.00 0.87 C
+ATOM 391 CE3 TRP A 68 25.569 3.254 39.326 1.00 0.87 C
+ATOM 392 CZ2 TRP A 68 22.965 2.927 38.245 1.00 0.87 C
+ATOM 393 CZ3 TRP A 68 25.367 2.529 38.151 1.00 0.87 C
+ATOM 394 CH2 TRP A 68 24.080 2.362 37.616 1.00 0.87 C
+ATOM 395 N ALA A 69 26.521 1.771 42.159 1.00 0.92 N
+ATOM 396 CA ALA A 69 26.482 0.448 41.578 1.00 0.92 C
+ATOM 397 C ALA A 69 26.191 -0.626 42.608 1.00 0.92 C
+ATOM 398 O ALA A 69 25.360 -1.502 42.395 1.00 0.92 O
+ATOM 399 CB ALA A 69 27.806 0.160 40.850 1.00 0.92 C
+ATOM 400 N LYS A 70 26.792 -0.526 43.807 1.00 0.84 N
+ATOM 401 CA LYS A 70 26.508 -1.440 44.896 1.00 0.84 C
+ATOM 402 C LYS A 70 25.104 -1.295 45.491 1.00 0.84 C
+ATOM 403 O LYS A 70 24.668 -2.126 46.279 1.00 0.84 O
+ATOM 404 CB LYS A 70 27.547 -1.312 46.031 1.00 0.84 C
+ATOM 405 CG LYS A 70 28.995 -1.634 45.632 1.00 0.84 C
+ATOM 406 CD LYS A 70 29.788 -2.122 46.854 1.00 0.84 C
+ATOM 407 CE LYS A 70 31.297 -2.207 46.633 1.00 0.84 C
+ATOM 408 NZ LYS A 70 31.897 -2.894 47.770 1.00 0.84 N
+ATOM 409 N ARG A 71 24.345 -0.247 45.125 1.00 0.81 N
+ATOM 410 CA ARG A 71 22.961 -0.105 45.530 1.00 0.81 C
+ATOM 411 C ARG A 71 21.998 -0.489 44.420 1.00 0.81 C
+ATOM 412 O ARG A 71 20.783 -0.490 44.615 1.00 0.81 O
+ATOM 413 CB ARG A 71 22.656 1.352 45.929 1.00 0.81 C
+ATOM 414 CG ARG A 71 23.450 1.857 47.147 1.00 0.81 C
+ATOM 415 CD ARG A 71 23.161 3.335 47.417 1.00 0.81 C
+ATOM 416 NE ARG A 71 23.959 3.769 48.604 1.00 0.81 N
+ATOM 417 CZ ARG A 71 23.852 4.987 49.154 1.00 0.81 C
+ATOM 418 NH1 ARG A 71 22.978 5.889 48.716 1.00 0.81 N
+ATOM 419 NH2 ARG A 71 24.644 5.305 50.178 1.00 0.81 N
+ATOM 420 N VAL A 72 22.501 -0.870 43.229 1.00 0.88 N
+ATOM 421 CA VAL A 72 21.679 -1.473 42.199 1.00 0.88 C
+ATOM 422 C VAL A 72 21.275 -2.874 42.659 1.00 0.88 C
+ATOM 423 O VAL A 72 22.166 -3.674 42.963 1.00 0.88 O
+ATOM 424 CB VAL A 72 22.371 -1.514 40.842 1.00 0.88 C
+ATOM 425 CG1 VAL A 72 21.505 -2.261 39.809 1.00 0.88 C
+ATOM 426 CG2 VAL A 72 22.612 -0.067 40.369 1.00 0.88 C
+ATOM 427 N PRO A 73 19.989 -3.234 42.766 1.00 0.88 N
+ATOM 428 CA PRO A 73 19.556 -4.513 43.319 1.00 0.88 C
+ATOM 429 C PRO A 73 20.224 -5.708 42.675 1.00 0.88 C
+ATOM 430 O PRO A 73 20.169 -5.827 41.460 1.00 0.88 O
+ATOM 431 CB PRO A 73 18.040 -4.508 43.083 1.00 0.88 C
+ATOM 432 CG PRO A 73 17.667 -3.029 43.198 1.00 0.88 C
+ATOM 433 CD PRO A 73 18.853 -2.335 42.543 1.00 0.88 C
+ATOM 434 N GLY A 74 20.871 -6.586 43.461 1.00 0.89 N
+ATOM 435 CA GLY A 74 21.542 -7.783 42.964 1.00 0.89 C
+ATOM 436 C GLY A 74 22.946 -7.608 42.444 1.00 0.89 C
+ATOM 437 O GLY A 74 23.603 -8.581 42.079 1.00 0.89 O
+ATOM 438 N PHE A 75 23.489 -6.378 42.408 1.00 0.87 N
+ATOM 439 CA PHE A 75 24.867 -6.152 42.011 1.00 0.87 C
+ATOM 440 C PHE A 75 25.857 -6.634 43.061 1.00 0.87 C
+ATOM 441 O PHE A 75 26.909 -7.181 42.744 1.00 0.87 O
+ATOM 442 CB PHE A 75 25.061 -4.658 41.665 1.00 0.87 C
+ATOM 443 CG PHE A 75 26.381 -4.371 41.004 1.00 0.87 C
+ATOM 444 CD1 PHE A 75 26.549 -4.563 39.623 1.00 0.87 C
+ATOM 445 CD2 PHE A 75 27.458 -3.879 41.759 1.00 0.87 C
+ATOM 446 CE1 PHE A 75 27.773 -4.269 39.008 1.00 0.87 C
+ATOM 447 CE2 PHE A 75 28.680 -3.577 41.148 1.00 0.87 C
+ATOM 448 CZ PHE A 75 28.837 -3.774 39.771 1.00 0.87 C
+ATOM 449 N VAL A 76 25.531 -6.470 44.357 1.00 0.81 N
+ATOM 450 CA VAL A 76 26.366 -6.892 45.475 1.00 0.81 C
+ATOM 451 C VAL A 76 26.599 -8.395 45.504 1.00 0.81 C
+ATOM 452 O VAL A 76 27.662 -8.866 45.899 1.00 0.81 O
+ATOM 453 CB VAL A 76 25.789 -6.402 46.794 1.00 0.81 C
+ATOM 454 CG1 VAL A 76 26.570 -6.949 48.002 1.00 0.81 C
+ATOM 455 CG2 VAL A 76 25.848 -4.869 46.815 1.00 0.81 C
+ATOM 456 N ASP A 77 25.613 -9.171 45.025 1.00 0.80 N
+ATOM 457 CA ASP A 77 25.650 -10.616 44.995 1.00 0.80 C
+ATOM 458 C ASP A 77 26.566 -11.187 43.907 1.00 0.80 C
+ATOM 459 O ASP A 77 26.834 -12.386 43.856 1.00 0.80 O
+ATOM 460 CB ASP A 77 24.212 -11.162 44.820 1.00 0.80 C
+ATOM 461 CG ASP A 77 23.279 -10.497 45.820 1.00 0.80 C
+ATOM 462 OD1 ASP A 77 23.575 -10.538 47.037 1.00 0.80 O
+ATOM 463 OD2 ASP A 77 22.269 -9.901 45.358 1.00 0.80 O
+ATOM 464 N LEU A 78 27.060 -10.336 42.986 1.00 0.78 N
+ATOM 465 CA LEU A 78 27.989 -10.725 41.946 1.00 0.78 C
+ATOM 466 C LEU A 78 29.423 -10.810 42.439 1.00 0.78 C
+ATOM 467 O LEU A 78 29.840 -10.134 43.378 1.00 0.78 O
+ATOM 468 CB LEU A 78 27.949 -9.721 40.773 1.00 0.78 C
+ATOM 469 CG LEU A 78 26.586 -9.623 40.070 1.00 0.78 C
+ATOM 470 CD1 LEU A 78 26.598 -8.482 39.046 1.00 0.78 C
+ATOM 471 CD2 LEU A 78 26.225 -10.942 39.383 1.00 0.78 C
+ATOM 472 N THR A 79 30.249 -11.655 41.790 1.00 0.78 N
+ATOM 473 CA THR A 79 31.674 -11.733 42.075 1.00 0.78 C
+ATOM 474 C THR A 79 32.411 -10.444 41.744 1.00 0.78 C
+ATOM 475 O THR A 79 31.978 -9.659 40.904 1.00 0.78 O
+ATOM 476 CB THR A 79 32.401 -12.910 41.415 1.00 0.78 C
+ATOM 477 OG1 THR A 79 32.584 -12.746 40.014 1.00 0.78 O
+ATOM 478 CG2 THR A 79 31.665 -14.233 41.667 1.00 0.78 C
+ATOM 479 N LEU A 80 33.575 -10.181 42.386 1.00 0.78 N
+ATOM 480 CA LEU A 80 34.392 -9.006 42.096 1.00 0.78 C
+ATOM 481 C LEU A 80 34.796 -8.917 40.628 1.00 0.78 C
+ATOM 482 O LEU A 80 34.801 -7.843 40.036 1.00 0.78 O
+ATOM 483 CB LEU A 80 35.694 -8.982 42.942 1.00 0.78 C
+ATOM 484 CG LEU A 80 35.521 -8.695 44.447 1.00 0.78 C
+ATOM 485 CD1 LEU A 80 36.857 -8.890 45.182 1.00 0.78 C
+ATOM 486 CD2 LEU A 80 35.020 -7.267 44.706 1.00 0.78 C
+ATOM 487 N HIS A 81 35.113 -10.061 39.984 1.00 0.76 N
+ATOM 488 CA HIS A 81 35.410 -10.103 38.560 1.00 0.76 C
+ATOM 489 C HIS A 81 34.236 -9.654 37.692 1.00 0.76 C
+ATOM 490 O HIS A 81 34.397 -8.767 36.853 1.00 0.76 O
+ATOM 491 CB HIS A 81 35.894 -11.517 38.161 1.00 0.76 C
+ATOM 492 CG HIS A 81 36.177 -11.709 36.702 1.00 0.76 C
+ATOM 493 ND1 HIS A 81 35.139 -12.044 35.866 1.00 0.76 N
+ATOM 494 CD2 HIS A 81 37.322 -11.572 35.992 1.00 0.76 C
+ATOM 495 CE1 HIS A 81 35.657 -12.103 34.664 1.00 0.76 C
+ATOM 496 NE2 HIS A 81 36.983 -11.826 34.678 1.00 0.76 N
+ATOM 497 N ASP A 82 33.013 -10.169 37.952 1.00 0.83 N
+ATOM 498 CA ASP A 82 31.813 -9.731 37.264 1.00 0.83 C
+ATOM 499 C ASP A 82 31.504 -8.263 37.469 1.00 0.83 C
+ATOM 500 O ASP A 82 31.213 -7.527 36.524 1.00 0.83 O
+ATOM 501 CB ASP A 82 30.569 -10.510 37.752 1.00 0.83 C
+ATOM 502 CG ASP A 82 30.465 -11.916 37.188 1.00 0.83 C
+ATOM 503 OD1 ASP A 82 31.347 -12.333 36.406 1.00 0.83 O
+ATOM 504 OD2 ASP A 82 29.447 -12.565 37.541 1.00 0.83 O
+ATOM 505 N GLN A 83 31.603 -7.779 38.721 1.00 0.84 N
+ATOM 506 CA GLN A 83 31.370 -6.388 39.036 1.00 0.84 C
+ATOM 507 C GLN A 83 32.323 -5.453 38.307 1.00 0.84 C
+ATOM 508 O GLN A 83 31.892 -4.465 37.712 1.00 0.84 O
+ATOM 509 CB GLN A 83 31.481 -6.136 40.556 1.00 0.84 C
+ATOM 510 CG GLN A 83 30.352 -6.775 41.395 1.00 0.84 C
+ATOM 511 CD GLN A 83 30.534 -6.456 42.878 1.00 0.84 C
+ATOM 512 OE1 GLN A 83 31.610 -6.083 43.348 1.00 0.84 O
+ATOM 513 NE2 GLN A 83 29.446 -6.588 43.664 1.00 0.84 N
+ATOM 514 N VAL A 84 33.636 -5.773 38.271 1.00 0.82 N
+ATOM 515 CA VAL A 84 34.609 -4.999 37.512 1.00 0.82 C
+ATOM 516 C VAL A 84 34.308 -5.015 36.028 1.00 0.82 C
+ATOM 517 O VAL A 84 34.243 -3.963 35.405 1.00 0.82 O
+ATOM 518 CB VAL A 84 36.037 -5.479 37.753 1.00 0.82 C
+ATOM 519 CG1 VAL A 84 37.050 -4.782 36.821 1.00 0.82 C
+ATOM 520 CG2 VAL A 84 36.423 -5.197 39.212 1.00 0.82 C
+ATOM 521 N HIS A 85 34.023 -6.194 35.443 1.00 0.82 N
+ATOM 522 CA HIS A 85 33.750 -6.345 34.022 1.00 0.82 C
+ATOM 523 C HIS A 85 32.538 -5.548 33.554 1.00 0.82 C
+ATOM 524 O HIS A 85 32.549 -4.884 32.516 1.00 0.82 O
+ATOM 525 CB HIS A 85 33.543 -7.844 33.706 1.00 0.82 C
+ATOM 526 CG HIS A 85 33.253 -8.143 32.270 1.00 0.82 C
+ATOM 527 ND1 HIS A 85 34.290 -8.389 31.392 1.00 0.82 N
+ATOM 528 CD2 HIS A 85 32.068 -8.138 31.610 1.00 0.82 C
+ATOM 529 CE1 HIS A 85 33.719 -8.525 30.216 1.00 0.82 C
+ATOM 530 NE2 HIS A 85 32.375 -8.380 30.291 1.00 0.82 N
+ATOM 531 N LEU A 86 31.444 -5.556 34.341 1.00 0.88 N
+ATOM 532 CA LEU A 86 30.279 -4.740 34.060 1.00 0.88 C
+ATOM 533 C LEU A 86 30.556 -3.242 34.139 1.00 0.88 C
+ATOM 534 O LEU A 86 30.174 -2.478 33.254 1.00 0.88 O
+ATOM 535 CB LEU A 86 29.125 -5.117 35.012 1.00 0.88 C
+ATOM 536 CG LEU A 86 28.547 -6.535 34.803 1.00 0.88 C
+ATOM 537 CD1 LEU A 86 27.469 -6.815 35.858 1.00 0.88 C
+ATOM 538 CD2 LEU A 86 27.956 -6.748 33.402 1.00 0.88 C
+ATOM 539 N LEU A 87 31.284 -2.786 35.178 1.00 0.88 N
+ATOM 540 CA LEU A 87 31.709 -1.403 35.312 1.00 0.88 C
+ATOM 541 C LEU A 87 32.663 -0.952 34.214 1.00 0.88 C
+ATOM 542 O LEU A 87 32.532 0.150 33.685 1.00 0.88 O
+ATOM 543 CB LEU A 87 32.360 -1.168 36.694 1.00 0.88 C
+ATOM 544 CG LEU A 87 31.353 -1.159 37.861 1.00 0.88 C
+ATOM 545 CD1 LEU A 87 32.067 -1.415 39.193 1.00 0.88 C
+ATOM 546 CD2 LEU A 87 30.574 0.162 37.939 1.00 0.88 C
+ATOM 547 N GLU A 88 33.623 -1.811 33.817 1.00 0.82 N
+ATOM 548 CA GLU A 88 34.591 -1.550 32.763 1.00 0.82 C
+ATOM 549 C GLU A 88 33.922 -1.284 31.424 1.00 0.82 C
+ATOM 550 O GLU A 88 34.267 -0.356 30.698 1.00 0.82 O
+ATOM 551 CB GLU A 88 35.588 -2.736 32.639 1.00 0.82 C
+ATOM 552 CG GLU A 88 37.079 -2.335 32.457 1.00 0.82 C
+ATOM 553 CD GLU A 88 38.040 -3.536 32.428 1.00 0.82 C
+ATOM 554 OE1 GLU A 88 37.611 -4.663 32.781 1.00 0.82 O
+ATOM 555 OE2 GLU A 88 39.242 -3.329 32.114 1.00 0.82 O
+ATOM 556 N SER A 89 32.891 -2.079 31.082 1.00 0.87 N
+ATOM 557 CA SER A 89 32.087 -1.845 29.892 1.00 0.87 C
+ATOM 558 C SER A 89 31.193 -0.615 29.986 1.00 0.87 C
+ATOM 559 O SER A 89 31.094 0.181 29.057 1.00 0.87 O
+ATOM 560 CB SER A 89 31.217 -3.087 29.582 1.00 0.87 C
+ATOM 561 OG SER A 89 30.762 -3.090 28.225 1.00 0.87 O
+ATOM 562 N ALA A 90 30.521 -0.417 31.140 1.00 0.93 N
+ATOM 563 CA ALA A 90 29.429 0.531 31.223 1.00 0.93 C
+ATOM 564 C ALA A 90 29.755 1.940 31.709 1.00 0.93 C
+ATOM 565 O ALA A 90 28.918 2.834 31.584 1.00 0.93 O
+ATOM 566 CB ALA A 90 28.379 -0.044 32.192 1.00 0.93 C
+ATOM 567 N TRP A 91 30.951 2.227 32.269 1.00 0.88 N
+ATOM 568 CA TRP A 91 31.180 3.484 32.981 1.00 0.88 C
+ATOM 569 C TRP A 91 30.953 4.761 32.170 1.00 0.88 C
+ATOM 570 O TRP A 91 30.303 5.697 32.631 1.00 0.88 O
+ATOM 571 CB TRP A 91 32.592 3.523 33.637 1.00 0.88 C
+ATOM 572 CG TRP A 91 33.755 3.632 32.661 1.00 0.88 C
+ATOM 573 CD1 TRP A 91 34.322 2.644 31.915 1.00 0.88 C
+ATOM 574 CD2 TRP A 91 34.381 4.860 32.272 1.00 0.88 C
+ATOM 575 NE1 TRP A 91 35.241 3.180 31.050 1.00 0.88 N
+ATOM 576 CE2 TRP A 91 35.311 4.532 31.240 1.00 0.88 C
+ATOM 577 CE3 TRP A 91 34.226 6.171 32.698 1.00 0.88 C
+ATOM 578 CZ2 TRP A 91 36.072 5.514 30.640 1.00 0.88 C
+ATOM 579 CZ3 TRP A 91 35.016 7.156 32.098 1.00 0.88 C
+ATOM 580 CH2 TRP A 91 35.926 6.834 31.078 1.00 0.88 C
+ATOM 581 N LEU A 92 31.449 4.821 30.918 1.00 0.90 N
+ATOM 582 CA LEU A 92 31.259 5.971 30.058 1.00 0.90 C
+ATOM 583 C LEU A 92 29.811 6.156 29.629 1.00 0.90 C
+ATOM 584 O LEU A 92 29.300 7.273 29.611 1.00 0.90 O
+ATOM 585 CB LEU A 92 32.231 5.931 28.861 1.00 0.90 C
+ATOM 586 CG LEU A 92 32.219 7.185 27.960 1.00 0.90 C
+ATOM 587 CD1 LEU A 92 32.544 8.472 28.731 1.00 0.90 C
+ATOM 588 CD2 LEU A 92 33.221 7.024 26.812 1.00 0.90 C
+ATOM 589 N GLU A 93 29.075 5.057 29.350 1.00 0.91 N
+ATOM 590 CA GLU A 93 27.644 5.121 29.084 1.00 0.91 C
+ATOM 591 C GLU A 93 26.862 5.693 30.262 1.00 0.91 C
+ATOM 592 O GLU A 93 25.974 6.528 30.097 1.00 0.91 O
+ATOM 593 CB GLU A 93 27.050 3.735 28.749 1.00 0.91 C
+ATOM 594 CG GLU A 93 27.568 3.116 27.438 1.00 0.91 C
+ATOM 595 CD GLU A 93 27.022 1.720 27.221 1.00 0.91 C
+ATOM 596 OE1 GLU A 93 25.959 1.513 26.583 1.00 0.91 O
+ATOM 597 OE2 GLU A 93 27.744 0.792 27.653 1.00 0.91 O
+ATOM 598 N ILE A 94 27.217 5.285 31.496 1.00 0.95 N
+ATOM 599 CA ILE A 94 26.643 5.793 32.732 1.00 0.95 C
+ATOM 600 C ILE A 94 26.923 7.278 32.954 1.00 0.95 C
+ATOM 601 O ILE A 94 26.022 8.042 33.309 1.00 0.95 O
+ATOM 602 CB ILE A 94 27.084 4.933 33.912 1.00 0.95 C
+ATOM 603 CG1 ILE A 94 26.486 3.510 33.777 1.00 0.95 C
+ATOM 604 CG2 ILE A 94 26.665 5.570 35.256 1.00 0.95 C
+ATOM 605 CD1 ILE A 94 27.110 2.492 34.736 1.00 0.95 C
+ATOM 606 N LEU A 95 28.165 7.752 32.703 1.00 0.94 N
+ATOM 607 CA LEU A 95 28.463 9.180 32.729 1.00 0.94 C
+ATOM 608 C LEU A 95 27.694 9.958 31.666 1.00 0.94 C
+ATOM 609 O LEU A 95 27.105 11.004 31.939 1.00 0.94 O
+ATOM 610 CB LEU A 95 29.972 9.482 32.544 1.00 0.94 C
+ATOM 611 CG LEU A 95 30.904 9.031 33.688 1.00 0.94 C
+ATOM 612 CD1 LEU A 95 32.356 9.390 33.342 1.00 0.94 C
+ATOM 613 CD2 LEU A 95 30.538 9.665 35.037 1.00 0.94 C
+ATOM 614 N MET A 96 27.634 9.442 30.422 1.00 0.93 N
+ATOM 615 CA MET A 96 26.909 10.072 29.337 1.00 0.93 C
+ATOM 616 C MET A 96 25.413 10.158 29.562 1.00 0.93 C
+ATOM 617 O MET A 96 24.817 11.209 29.358 1.00 0.93 O
+ATOM 618 CB MET A 96 27.178 9.357 27.997 1.00 0.93 C
+ATOM 619 CG MET A 96 28.576 9.639 27.424 1.00 0.93 C
+ATOM 620 SD MET A 96 28.825 8.826 25.824 1.00 0.93 S
+ATOM 621 CE MET A 96 30.337 9.733 25.403 1.00 0.93 C
+ATOM 622 N ILE A 97 24.745 9.090 30.039 1.00 0.94 N
+ATOM 623 CA ILE A 97 23.322 9.164 30.345 1.00 0.94 C
+ATOM 624 C ILE A 97 23.031 10.134 31.484 1.00 0.94 C
+ATOM 625 O ILE A 97 22.041 10.864 31.461 1.00 0.94 O
+ATOM 626 CB ILE A 97 22.659 7.800 30.529 1.00 0.94 C
+ATOM 627 CG1 ILE A 97 21.125 7.912 30.363 1.00 0.94 C
+ATOM 628 CG2 ILE A 97 23.041 7.175 31.880 1.00 0.94 C
+ATOM 629 CD1 ILE A 97 20.379 6.575 30.382 1.00 0.94 C
+ATOM 630 N GLY A 98 23.933 10.226 32.491 1.00 0.97 N
+ATOM 631 CA GLY A 98 23.818 11.236 33.538 1.00 0.97 C
+ATOM 632 C GLY A 98 24.007 12.649 33.048 1.00 0.97 C
+ATOM 633 O GLY A 98 23.273 13.549 33.445 1.00 0.97 O
+ATOM 634 N LEU A 99 24.956 12.882 32.127 1.00 0.95 N
+ATOM 635 CA LEU A 99 25.128 14.156 31.455 1.00 0.95 C
+ATOM 636 C LEU A 99 23.922 14.559 30.624 1.00 0.95 C
+ATOM 637 O LEU A 99 23.477 15.706 30.639 1.00 0.95 O
+ATOM 638 CB LEU A 99 26.361 14.083 30.528 1.00 0.95 C
+ATOM 639 CG LEU A 99 26.615 15.326 29.654 1.00 0.95 C
+ATOM 640 CD1 LEU A 99 26.884 16.566 30.505 1.00 0.95 C
+ATOM 641 CD2 LEU A 99 27.797 15.077 28.716 1.00 0.95 C
+ATOM 642 N VAL A 100 23.338 13.610 29.872 1.00 0.94 N
+ATOM 643 CA VAL A 100 22.154 13.843 29.067 1.00 0.94 C
+ATOM 644 C VAL A 100 20.957 14.211 29.933 1.00 0.94 C
+ATOM 645 O VAL A 100 20.248 15.173 29.647 1.00 0.94 O
+ATOM 646 CB VAL A 100 21.866 12.641 28.178 1.00 0.94 C
+ATOM 647 CG1 VAL A 100 20.550 12.807 27.417 1.00 0.94 C
+ATOM 648 CG2 VAL A 100 22.986 12.491 27.129 1.00 0.94 C
+ATOM 649 N TRP A 101 20.755 13.497 31.061 1.00 0.91 N
+ATOM 650 CA TRP A 101 19.727 13.808 32.038 1.00 0.91 C
+ATOM 651 C TRP A 101 19.882 15.191 32.658 1.00 0.91 C
+ATOM 652 O TRP A 101 18.925 15.949 32.758 1.00 0.91 O
+ATOM 653 CB TRP A 101 19.711 12.701 33.124 1.00 0.91 C
+ATOM 654 CG TRP A 101 18.817 12.948 34.335 1.00 0.91 C
+ATOM 655 CD1 TRP A 101 19.188 13.366 35.582 1.00 0.91 C
+ATOM 656 CD2 TRP A 101 17.392 12.866 34.329 1.00 0.91 C
+ATOM 657 NE1 TRP A 101 18.074 13.571 36.354 1.00 0.91 N
+ATOM 658 CE2 TRP A 101 16.955 13.299 35.617 1.00 0.91 C
+ATOM 659 CE3 TRP A 101 16.476 12.488 33.360 1.00 0.91 C
+ATOM 660 CZ2 TRP A 101 15.610 13.377 35.914 1.00 0.91 C
+ATOM 661 CZ3 TRP A 101 15.116 12.582 33.665 1.00 0.91 C
+ATOM 662 CH2 TRP A 101 14.685 13.039 34.920 1.00 0.91 C
+ATOM 663 N ARG A 102 21.105 15.611 33.035 1.00 0.88 N
+ATOM 664 CA ARG A 102 21.289 16.934 33.604 1.00 0.88 C
+ATOM 665 C ARG A 102 21.087 18.053 32.589 1.00 0.88 C
+ATOM 666 O ARG A 102 20.815 19.199 32.934 1.00 0.88 O
+ATOM 667 CB ARG A 102 22.709 17.080 34.193 1.00 0.88 C
+ATOM 668 CG ARG A 102 22.989 16.202 35.426 1.00 0.88 C
+ATOM 669 CD ARG A 102 24.344 16.484 36.097 1.00 0.88 C
+ATOM 670 NE ARG A 102 25.476 16.291 35.115 1.00 0.88 N
+ATOM 671 CZ ARG A 102 26.362 15.273 35.153 1.00 0.88 C
+ATOM 672 NH1 ARG A 102 26.118 14.147 35.806 1.00 0.88 N
+ATOM 673 NH2 ARG A 102 27.549 15.388 34.570 1.00 0.88 N
+ATOM 674 N SER A 103 21.196 17.735 31.290 1.00 0.93 N
+ATOM 675 CA SER A 103 21.157 18.734 30.244 1.00 0.93 C
+ATOM 676 C SER A 103 19.780 18.921 29.650 1.00 0.93 C
+ATOM 677 O SER A 103 19.574 19.798 28.814 1.00 0.93 O
+ATOM 678 CB SER A 103 22.081 18.333 29.068 1.00 0.93 C
+ATOM 679 OG SER A 103 23.437 18.187 29.484 1.00 0.93 O
+ATOM 680 N MET A 104 18.758 18.136 30.043 1.00 0.89 N
+ATOM 681 CA MET A 104 17.488 18.186 29.333 1.00 0.89 C
+ATOM 682 C MET A 104 16.644 19.406 29.637 1.00 0.89 C
+ATOM 683 O MET A 104 15.789 19.779 28.835 1.00 0.89 O
+ATOM 684 CB MET A 104 16.690 16.871 29.424 1.00 0.89 C
+ATOM 685 CG MET A 104 16.230 16.447 30.822 1.00 0.89 C
+ATOM 686 SD MET A 104 15.673 14.718 30.831 1.00 0.89 S
+ATOM 687 CE MET A 104 13.968 15.048 30.316 1.00 0.89 C
+ATOM 688 N GLU A 105 16.949 20.122 30.732 1.00 0.88 N
+ATOM 689 CA GLU A 105 16.349 21.401 31.052 1.00 0.88 C
+ATOM 690 C GLU A 105 17.079 22.567 30.391 1.00 0.88 C
+ATOM 691 O GLU A 105 16.617 23.703 30.430 1.00 0.88 O
+ATOM 692 CB GLU A 105 16.374 21.620 32.579 1.00 0.88 C
+ATOM 693 CG GLU A 105 15.517 20.599 33.364 1.00 0.88 C
+ATOM 694 CD GLU A 105 15.577 20.819 34.878 1.00 0.88 C
+ATOM 695 OE1 GLU A 105 16.404 21.647 35.338 1.00 0.88 O
+ATOM 696 OE2 GLU A 105 14.788 20.136 35.580 1.00 0.88 O
+ATOM 697 N HIS A 106 18.218 22.303 29.708 1.00 0.91 N
+ATOM 698 CA HIS A 106 19.061 23.320 29.096 1.00 0.91 C
+ATOM 699 C HIS A 106 19.221 23.102 27.589 1.00 0.91 C
+ATOM 700 O HIS A 106 20.261 22.600 27.155 1.00 0.91 O
+ATOM 701 CB HIS A 106 20.459 23.312 29.754 1.00 0.91 C
+ATOM 702 CG HIS A 106 20.371 23.544 31.228 1.00 0.91 C
+ATOM 703 ND1 HIS A 106 20.456 24.832 31.718 1.00 0.91 N
+ATOM 704 CD2 HIS A 106 20.043 22.680 32.223 1.00 0.91 C
+ATOM 705 CE1 HIS A 106 20.172 24.727 33.001 1.00 0.91 C
+ATOM 706 NE2 HIS A 106 19.908 23.446 33.360 1.00 0.91 N
+ATOM 707 N PRO A 107 18.248 23.423 26.730 1.00 0.93 N
+ATOM 708 CA PRO A 107 18.355 23.255 25.283 1.00 0.93 C
+ATOM 709 C PRO A 107 19.584 23.880 24.649 1.00 0.93 C
+ATOM 710 O PRO A 107 19.845 25.063 24.849 1.00 0.93 O
+ATOM 711 CB PRO A 107 17.061 23.867 24.722 1.00 0.93 C
+ATOM 712 CG PRO A 107 16.068 23.773 25.880 1.00 0.93 C
+ATOM 713 CD PRO A 107 16.951 23.983 27.109 1.00 0.93 C
+ATOM 714 N GLY A 108 20.353 23.100 23.863 1.00 0.93 N
+ATOM 715 CA GLY A 108 21.532 23.615 23.175 1.00 0.93 C
+ATOM 716 C GLY A 108 22.789 23.655 23.999 1.00 0.93 C
+ATOM 717 O GLY A 108 23.819 24.144 23.541 1.00 0.93 O
+ATOM 718 N LYS A 109 22.739 23.128 25.234 1.00 0.91 N
+ATOM 719 CA LYS A 109 23.853 23.145 26.153 1.00 0.91 C
+ATOM 720 C LYS A 109 24.047 21.764 26.767 1.00 0.91 C
+ATOM 721 O LYS A 109 23.109 20.976 26.877 1.00 0.91 O
+ATOM 722 CB LYS A 109 23.588 24.138 27.310 1.00 0.91 C
+ATOM 723 CG LYS A 109 23.398 25.613 26.905 1.00 0.91 C
+ATOM 724 CD LYS A 109 24.724 26.291 26.518 1.00 0.91 C
+ATOM 725 CE LYS A 109 24.576 27.766 26.111 1.00 0.91 C
+ATOM 726 NZ LYS A 109 25.888 28.427 25.891 1.00 0.91 N
+ATOM 727 N LEU A 110 25.283 21.440 27.195 1.00 0.93 N
+ATOM 728 CA LEU A 110 25.582 20.239 27.953 1.00 0.93 C
+ATOM 729 C LEU A 110 26.021 20.627 29.354 1.00 0.93 C
+ATOM 730 O LEU A 110 27.019 21.324 29.554 1.00 0.93 O
+ATOM 731 CB LEU A 110 26.669 19.344 27.300 1.00 0.93 C
+ATOM 732 CG LEU A 110 26.240 18.630 26.002 1.00 0.93 C
+ATOM 733 CD1 LEU A 110 27.386 17.778 25.439 1.00 0.93 C
+ATOM 734 CD2 LEU A 110 25.006 17.741 26.208 1.00 0.93 C
+ATOM 735 N LEU A 111 25.254 20.196 30.377 1.00 0.94 N
+ATOM 736 CA LEU A 111 25.493 20.521 31.769 1.00 0.94 C
+ATOM 737 C LEU A 111 26.385 19.470 32.390 1.00 0.94 C
+ATOM 738 O LEU A 111 25.955 18.521 33.057 1.00 0.94 O
+ATOM 739 CB LEU A 111 24.159 20.663 32.542 1.00 0.94 C
+ATOM 740 CG LEU A 111 24.234 21.415 33.891 1.00 0.94 C
+ATOM 741 CD1 LEU A 111 22.874 22.055 34.192 1.00 0.94 C
+ATOM 742 CD2 LEU A 111 24.627 20.511 35.067 1.00 0.94 C
+ATOM 743 N PHE A 112 27.704 19.623 32.183 1.00 0.93 N
+ATOM 744 CA PHE A 112 28.708 18.755 32.761 1.00 0.93 C
+ATOM 745 C PHE A 112 28.694 18.860 34.270 1.00 0.93 C
+ATOM 746 O PHE A 112 28.700 17.855 34.974 1.00 0.93 O
+ATOM 747 CB PHE A 112 30.111 19.092 32.210 1.00 0.93 C
+ATOM 748 CG PHE A 112 30.235 18.646 30.778 1.00 0.93 C
+ATOM 749 CD1 PHE A 112 30.674 17.345 30.479 1.00 0.93 C
+ATOM 750 CD2 PHE A 112 29.939 19.520 29.718 1.00 0.93 C
+ATOM 751 CE1 PHE A 112 30.813 16.925 29.149 1.00 0.93 C
+ATOM 752 CE2 PHE A 112 30.067 19.097 28.388 1.00 0.93 C
+ATOM 753 CZ PHE A 112 30.501 17.799 28.103 1.00 0.93 C
+ATOM 754 N ALA A 113 28.572 20.093 34.774 1.00 0.94 N
+ATOM 755 CA ALA A 113 28.405 20.377 36.173 1.00 0.94 C
+ATOM 756 C ALA A 113 27.628 21.683 36.266 1.00 0.94 C
+ATOM 757 O ALA A 113 27.559 22.382 35.253 1.00 0.94 O
+ATOM 758 CB ALA A 113 29.783 20.519 36.837 1.00 0.94 C
+ATOM 759 N PRO A 114 27.019 22.094 37.384 1.00 0.94 N
+ATOM 760 CA PRO A 114 26.190 23.303 37.443 1.00 0.94 C
+ATOM 761 C PRO A 114 26.955 24.568 37.131 1.00 0.94 C
+ATOM 762 O PRO A 114 26.359 25.568 36.748 1.00 0.94 O
+ATOM 763 CB PRO A 114 25.633 23.314 38.872 1.00 0.94 C
+ATOM 764 CG PRO A 114 25.622 21.839 39.275 1.00 0.94 C
+ATOM 765 CD PRO A 114 26.875 21.283 38.597 1.00 0.94 C
+ATOM 766 N ASN A 115 28.284 24.538 37.316 1.00 0.88 N
+ATOM 767 CA ASN A 115 29.184 25.621 37.005 1.00 0.88 C
+ATOM 768 C ASN A 115 29.936 25.404 35.696 1.00 0.88 C
+ATOM 769 O ASN A 115 30.889 26.116 35.402 1.00 0.88 O
+ATOM 770 CB ASN A 115 30.175 25.840 38.177 1.00 0.88 C
+ATOM 771 CG ASN A 115 31.059 24.625 38.447 1.00 0.88 C
+ATOM 772 OD1 ASN A 115 30.691 23.456 38.296 1.00 0.88 O
+ATOM 773 ND2 ASN A 115 32.301 24.902 38.900 1.00 0.88 N
+ATOM 774 N LEU A 116 29.534 24.416 34.879 1.00 0.88 N
+ATOM 775 CA LEU A 116 30.178 24.135 33.613 1.00 0.88 C
+ATOM 776 C LEU A 116 29.131 23.691 32.612 1.00 0.88 C
+ATOM 777 O LEU A 116 28.907 22.504 32.362 1.00 0.88 O
+ATOM 778 CB LEU A 116 31.302 23.086 33.759 1.00 0.88 C
+ATOM 779 CG LEU A 116 32.261 22.976 32.557 1.00 0.88 C
+ATOM 780 CD1 LEU A 116 33.067 24.266 32.350 1.00 0.88 C
+ATOM 781 CD2 LEU A 116 33.226 21.797 32.733 1.00 0.88 C
+ATOM 782 N LEU A 117 28.448 24.688 32.027 1.00 0.92 N
+ATOM 783 CA LEU A 117 27.394 24.509 31.057 1.00 0.92 C
+ATOM 784 C LEU A 117 27.923 24.936 29.700 1.00 0.92 C
+ATOM 785 O LEU A 117 28.137 26.119 29.439 1.00 0.92 O
+ATOM 786 CB LEU A 117 26.184 25.384 31.465 1.00 0.92 C
+ATOM 787 CG LEU A 117 24.919 25.233 30.602 1.00 0.92 C
+ATOM 788 CD1 LEU A 117 24.334 23.825 30.731 1.00 0.92 C
+ATOM 789 CD2 LEU A 117 23.857 26.271 30.993 1.00 0.92 C
+ATOM 790 N LEU A 118 28.167 23.967 28.801 1.00 0.90 N
+ATOM 791 CA LEU A 118 28.922 24.211 27.588 1.00 0.90 C
+ATOM 792 C LEU A 118 28.038 24.110 26.367 1.00 0.90 C
+ATOM 793 O LEU A 118 27.179 23.234 26.283 1.00 0.90 O
+ATOM 794 CB LEU A 118 30.070 23.186 27.416 1.00 0.90 C
+ATOM 795 CG LEU A 118 31.124 23.184 28.538 1.00 0.90 C
+ATOM 796 CD1 LEU A 118 32.216 22.148 28.238 1.00 0.90 C
+ATOM 797 CD2 LEU A 118 31.769 24.561 28.725 1.00 0.90 C
+ATOM 798 N ASP A 119 28.206 25.005 25.377 1.00 0.90 N
+ATOM 799 CA ASP A 119 27.555 24.848 24.092 1.00 0.90 C
+ATOM 800 C ASP A 119 28.425 24.156 23.070 1.00 0.90 C
+ATOM 801 O ASP A 119 29.577 23.786 23.294 1.00 0.90 O
+ATOM 802 CB ASP A 119 26.968 26.159 23.514 1.00 0.90 C
+ATOM 803 CG ASP A 119 27.997 27.264 23.449 1.00 0.90 C
+ATOM 804 OD1 ASP A 119 29.068 27.051 22.830 1.00 0.90 O
+ATOM 805 OD2 ASP A 119 27.661 28.336 24.042 1.00 0.90 O
+ATOM 806 N ARG A 120 27.841 23.973 21.880 1.00 0.80 N
+ATOM 807 CA ARG A 120 28.461 23.364 20.735 1.00 0.80 C
+ATOM 808 C ARG A 120 29.723 24.071 20.262 1.00 0.80 C
+ATOM 809 O ARG A 120 30.665 23.439 19.786 1.00 0.80 O
+ATOM 810 CB ARG A 120 27.433 23.316 19.590 1.00 0.80 C
+ATOM 811 CG ARG A 120 27.890 22.426 18.429 1.00 0.80 C
+ATOM 812 CD ARG A 120 26.943 22.454 17.239 1.00 0.80 C
+ATOM 813 NE ARG A 120 27.472 21.430 16.299 1.00 0.80 N
+ATOM 814 CZ ARG A 120 28.357 21.562 15.308 1.00 0.80 C
+ATOM 815 NH1 ARG A 120 28.787 22.762 14.927 1.00 0.80 N
+ATOM 816 NH2 ARG A 120 28.691 20.486 14.611 1.00 0.80 N
+ATOM 817 N ASN A 121 29.783 25.412 20.388 1.00 0.81 N
+ATOM 818 CA ASN A 121 30.968 26.176 20.057 1.00 0.81 C
+ATOM 819 C ASN A 121 32.102 25.861 21.016 1.00 0.81 C
+ATOM 820 O ASN A 121 33.245 25.673 20.614 1.00 0.81 O
+ATOM 821 CB ASN A 121 30.683 27.691 20.053 1.00 0.81 C
+ATOM 822 CG ASN A 121 29.776 28.057 18.884 1.00 0.81 C
+ATOM 823 OD1 ASN A 121 29.725 27.390 17.845 1.00 0.81 O
+ATOM 824 ND2 ASN A 121 29.054 29.190 19.044 1.00 0.81 N
+ATOM 825 N GLN A 122 31.797 25.716 22.316 1.00 0.80 N
+ATOM 826 CA GLN A 122 32.782 25.350 23.317 1.00 0.80 C
+ATOM 827 C GLN A 122 33.261 23.907 23.201 1.00 0.80 C
+ATOM 828 O GLN A 122 34.318 23.552 23.712 1.00 0.80 O
+ATOM 829 CB GLN A 122 32.223 25.620 24.729 1.00 0.80 C
+ATOM 830 CG GLN A 122 32.027 27.127 25.001 1.00 0.80 C
+ATOM 831 CD GLN A 122 31.285 27.344 26.315 1.00 0.80 C
+ATOM 832 OE1 GLN A 122 30.083 27.103 26.425 1.00 0.80 O
+ATOM 833 NE2 GLN A 122 32.024 27.795 27.356 1.00 0.80 N
+ATOM 834 N GLY A 123 32.524 23.048 22.467 1.00 0.84 N
+ATOM 835 CA GLY A 123 33.007 21.735 22.062 1.00 0.84 C
+ATOM 836 C GLY A 123 33.931 21.740 20.872 1.00 0.84 C
+ATOM 837 O GLY A 123 34.516 20.712 20.549 1.00 0.84 O
+ATOM 838 N LYS A 124 34.114 22.883 20.179 1.00 0.76 N
+ATOM 839 CA LYS A 124 34.996 22.959 19.027 1.00 0.76 C
+ATOM 840 C LYS A 124 36.454 23.119 19.382 1.00 0.76 C
+ATOM 841 O LYS A 124 37.321 22.920 18.539 1.00 0.76 O
+ATOM 842 CB LYS A 124 34.629 24.149 18.113 1.00 0.76 C
+ATOM 843 CG LYS A 124 33.316 23.958 17.356 1.00 0.76 C
+ATOM 844 CD LYS A 124 32.969 25.208 16.544 1.00 0.76 C
+ATOM 845 CE LYS A 124 31.792 25.010 15.594 1.00 0.76 C
+ATOM 846 NZ LYS A 124 32.125 23.952 14.614 1.00 0.76 N
+ATOM 847 N SER A 125 36.766 23.497 20.632 1.00 0.75 N
+ATOM 848 CA SER A 125 38.137 23.616 21.092 1.00 0.75 C
+ATOM 849 C SER A 125 38.855 22.288 21.179 1.00 0.75 C
+ATOM 850 O SER A 125 40.032 22.200 20.860 1.00 0.75 O
+ATOM 851 CB SER A 125 38.221 24.367 22.438 1.00 0.75 C
+ATOM 852 OG SER A 125 37.302 23.809 23.370 1.00 0.75 O
+ATOM 853 N VAL A 126 38.142 21.223 21.586 1.00 0.78 N
+ATOM 854 CA VAL A 126 38.675 19.877 21.609 1.00 0.78 C
+ATOM 855 C VAL A 126 38.554 19.236 20.243 1.00 0.78 C
+ATOM 856 O VAL A 126 37.461 19.073 19.689 1.00 0.78 O
+ATOM 857 CB VAL A 126 37.958 18.990 22.617 1.00 0.78 C
+ATOM 858 CG1 VAL A 126 38.605 17.594 22.665 1.00 0.78 C
+ATOM 859 CG2 VAL A 126 38.031 19.629 24.007 1.00 0.78 C
+ATOM 860 N GLU A 127 39.693 18.812 19.671 1.00 0.75 N
+ATOM 861 CA GLU A 127 39.762 18.100 18.413 1.00 0.75 C
+ATOM 862 C GLU A 127 38.916 16.828 18.394 1.00 0.75 C
+ATOM 863 O GLU A 127 39.088 15.926 19.211 1.00 0.75 O
+ATOM 864 CB GLU A 127 41.226 17.734 18.091 1.00 0.75 C
+ATOM 865 CG GLU A 127 42.195 18.943 18.070 1.00 0.75 C
+ATOM 866 CD GLU A 127 43.590 18.565 17.561 1.00 0.75 C
+ATOM 867 OE1 GLU A 127 43.843 17.349 17.353 1.00 0.75 O
+ATOM 868 OE2 GLU A 127 44.399 19.500 17.332 1.00 0.75 O
+ATOM 869 N GLY A 128 37.941 16.731 17.461 1.00 0.82 N
+ATOM 870 CA GLY A 128 37.107 15.538 17.298 1.00 0.82 C
+ATOM 871 C GLY A 128 35.979 15.368 18.286 1.00 0.82 C
+ATOM 872 O GLY A 128 35.366 14.306 18.354 1.00 0.82 O
+ATOM 873 N MET A 129 35.684 16.389 19.114 1.00 0.78 N
+ATOM 874 CA MET A 129 34.655 16.256 20.130 1.00 0.78 C
+ATOM 875 C MET A 129 33.292 16.762 19.689 1.00 0.78 C
+ATOM 876 O MET A 129 32.275 16.406 20.283 1.00 0.78 O
+ATOM 877 CB MET A 129 35.110 17.023 21.391 1.00 0.78 C
+ATOM 878 CG MET A 129 34.172 16.959 22.612 1.00 0.78 C
+ATOM 879 SD MET A 129 34.991 17.484 24.148 1.00 0.78 S
+ATOM 880 CE MET A 129 33.533 18.199 24.947 1.00 0.78 C
+ATOM 881 N VAL A 130 33.203 17.565 18.608 1.00 0.81 N
+ATOM 882 CA VAL A 130 31.954 18.176 18.160 1.00 0.81 C
+ATOM 883 C VAL A 130 30.903 17.173 17.735 1.00 0.81 C
+ATOM 884 O VAL A 130 29.728 17.323 18.054 1.00 0.81 O
+ATOM 885 CB VAL A 130 32.120 19.262 17.105 1.00 0.81 C
+ATOM 886 CG1 VAL A 130 32.864 20.437 17.741 1.00 0.81 C
+ATOM 887 CG2 VAL A 130 32.857 18.758 15.858 1.00 0.81 C
+ATOM 888 N GLU A 131 31.311 16.086 17.066 1.00 0.81 N
+ATOM 889 CA GLU A 131 30.472 14.980 16.677 1.00 0.81 C
+ATOM 890 C GLU A 131 29.844 14.299 17.880 1.00 0.81 C
+ATOM 891 O GLU A 131 28.649 14.020 17.914 1.00 0.81 O
+ATOM 892 CB GLU A 131 31.322 13.939 15.899 1.00 0.81 C
+ATOM 893 CG GLU A 131 31.880 14.427 14.532 1.00 0.81 C
+ATOM 894 CD GLU A 131 32.918 15.551 14.603 1.00 0.81 C
+ATOM 895 OE1 GLU A 131 33.017 16.304 13.603 1.00 0.81 O
+ATOM 896 OE2 GLU A 131 33.590 15.702 15.660 1.00 0.81 O
+ATOM 897 N ILE A 132 30.633 14.056 18.945 1.00 0.86 N
+ATOM 898 CA ILE A 132 30.126 13.501 20.191 1.00 0.86 C
+ATOM 899 C ILE A 132 29.180 14.464 20.883 1.00 0.86 C
+ATOM 900 O ILE A 132 28.122 14.090 21.388 1.00 0.86 O
+ATOM 901 CB ILE A 132 31.240 13.100 21.151 1.00 0.86 C
+ATOM 902 CG1 ILE A 132 32.381 12.327 20.451 1.00 0.86 C
+ATOM 903 CG2 ILE A 132 30.653 12.259 22.307 1.00 0.86 C
+ATOM 904 CD1 ILE A 132 31.937 11.076 19.691 1.00 0.86 C
+ATOM 905 N PHE A 133 29.544 15.760 20.876 1.00 0.88 N
+ATOM 906 CA PHE A 133 28.787 16.839 21.471 1.00 0.88 C
+ATOM 907 C PHE A 133 27.388 16.959 20.876 1.00 0.88 C
+ATOM 908 O PHE A 133 26.392 16.989 21.599 1.00 0.88 O
+ATOM 909 CB PHE A 133 29.603 18.150 21.283 1.00 0.88 C
+ATOM 910 CG PHE A 133 29.421 19.116 22.409 1.00 0.88 C
+ATOM 911 CD1 PHE A 133 28.253 19.877 22.514 1.00 0.88 C
+ATOM 912 CD2 PHE A 133 30.432 19.282 23.368 1.00 0.88 C
+ATOM 913 CE1 PHE A 133 28.070 20.755 23.588 1.00 0.88 C
+ATOM 914 CE2 PHE A 133 30.262 20.165 24.440 1.00 0.88 C
+ATOM 915 CZ PHE A 133 29.071 20.888 24.555 1.00 0.88 C
+ATOM 916 N ASP A 134 27.278 16.934 19.534 1.00 0.87 N
+ATOM 917 CA ASP A 134 26.017 16.943 18.825 1.00 0.87 C
+ATOM 918 C ASP A 134 25.148 15.731 19.105 1.00 0.87 C
+ATOM 919 O ASP A 134 23.944 15.848 19.324 1.00 0.87 O
+ATOM 920 CB ASP A 134 26.277 17.024 17.307 1.00 0.87 C
+ATOM 921 CG ASP A 134 26.732 18.409 16.929 1.00 0.87 C
+ATOM 922 OD1 ASP A 134 26.266 19.395 17.555 1.00 0.87 O
+ATOM 923 OD2 ASP A 134 27.503 18.557 15.945 1.00 0.87 O
+ATOM 924 N MET A 135 25.731 14.520 19.155 1.00 0.86 N
+ATOM 925 CA MET A 135 24.975 13.338 19.518 1.00 0.86 C
+ATOM 926 C MET A 135 24.408 13.412 20.935 1.00 0.86 C
+ATOM 927 O MET A 135 23.246 13.087 21.174 1.00 0.86 O
+ATOM 928 CB MET A 135 25.820 12.053 19.393 1.00 0.86 C
+ATOM 929 CG MET A 135 26.258 11.683 17.967 1.00 0.86 C
+ATOM 930 SD MET A 135 27.039 10.040 17.853 1.00 0.86 S
+ATOM 931 CE MET A 135 28.570 10.351 18.771 1.00 0.86 C
+ATOM 932 N LEU A 136 25.206 13.881 21.919 1.00 0.91 N
+ATOM 933 CA LEU A 136 24.753 14.048 23.291 1.00 0.91 C
+ATOM 934 C LEU A 136 23.628 15.065 23.436 1.00 0.91 C
+ATOM 935 O LEU A 136 22.624 14.819 24.109 1.00 0.91 O
+ATOM 936 CB LEU A 136 25.930 14.451 24.209 1.00 0.91 C
+ATOM 937 CG LEU A 136 26.963 13.335 24.466 1.00 0.91 C
+ATOM 938 CD1 LEU A 136 28.263 13.932 25.021 1.00 0.91 C
+ATOM 939 CD2 LEU A 136 26.439 12.271 25.438 1.00 0.91 C
+ATOM 940 N LEU A 137 23.739 16.220 22.756 1.00 0.90 N
+ATOM 941 CA LEU A 137 22.698 17.229 22.701 1.00 0.90 C
+ATOM 942 C LEU A 137 21.414 16.729 22.059 1.00 0.90 C
+ATOM 943 O LEU A 137 20.304 17.006 22.517 1.00 0.90 O
+ATOM 944 CB LEU A 137 23.196 18.438 21.901 1.00 0.90 C
+ATOM 945 CG LEU A 137 24.228 19.324 22.614 1.00 0.90 C
+ATOM 946 CD1 LEU A 137 24.852 20.276 21.593 1.00 0.90 C
+ATOM 947 CD2 LEU A 137 23.606 20.133 23.755 1.00 0.90 C
+ATOM 948 N ALA A 138 21.526 15.939 20.979 1.00 0.90 N
+ATOM 949 CA ALA A 138 20.390 15.300 20.361 1.00 0.90 C
+ATOM 950 C ALA A 138 19.691 14.272 21.243 1.00 0.90 C
+ATOM 951 O ALA A 138 18.461 14.233 21.308 1.00 0.90 O
+ATOM 952 CB ALA A 138 20.826 14.697 19.028 1.00 0.90 C
+ATOM 953 N THR A 139 20.443 13.451 21.999 1.00 0.91 N
+ATOM 954 CA THR A 139 19.890 12.549 23.010 1.00 0.91 C
+ATOM 955 C THR A 139 19.161 13.306 24.110 1.00 0.91 C
+ATOM 956 O THR A 139 18.092 12.910 24.570 1.00 0.91 O
+ATOM 957 CB THR A 139 20.955 11.662 23.639 1.00 0.91 C
+ATOM 958 OG1 THR A 139 21.702 11.005 22.629 1.00 0.91 O
+ATOM 959 CG2 THR A 139 20.328 10.524 24.450 1.00 0.91 C
+ATOM 960 N SER A 140 19.700 14.471 24.527 1.00 0.92 N
+ATOM 961 CA SER A 140 19.052 15.365 25.490 1.00 0.92 C
+ATOM 962 C SER A 140 17.712 15.883 25.005 1.00 0.92 C
+ATOM 963 O SER A 140 16.705 15.857 25.712 1.00 0.92 O
+ATOM 964 CB SER A 140 20.000 16.541 25.865 1.00 0.92 C
+ATOM 965 OG SER A 140 19.374 17.528 26.690 1.00 0.92 O
+ATOM 966 N SER A 141 17.642 16.303 23.732 1.00 0.89 N
+ATOM 967 CA SER A 141 16.387 16.658 23.091 1.00 0.89 C
+ATOM 968 C SER A 141 15.407 15.516 23.005 1.00 0.89 C
+ATOM 969 O SER A 141 14.219 15.699 23.245 1.00 0.89 O
+ATOM 970 CB SER A 141 16.618 17.211 21.676 1.00 0.89 C
+ATOM 971 OG SER A 141 17.246 18.486 21.771 1.00 0.89 O
+ATOM 972 N ARG A 142 15.877 14.295 22.695 1.00 0.82 N
+ATOM 973 CA ARG A 142 15.048 13.107 22.643 1.00 0.82 C
+ATOM 974 C ARG A 142 14.386 12.791 23.978 1.00 0.82 C
+ATOM 975 O ARG A 142 13.181 12.552 24.036 1.00 0.82 O
+ATOM 976 CB ARG A 142 15.905 11.901 22.184 1.00 0.82 C
+ATOM 977 CG ARG A 142 15.128 10.617 21.831 1.00 0.82 C
+ATOM 978 CD ARG A 142 14.537 10.609 20.421 1.00 0.82 C
+ATOM 979 NE ARG A 142 13.890 9.273 20.209 1.00 0.82 N
+ATOM 980 CZ ARG A 142 12.575 9.032 20.324 1.00 0.82 C
+ATOM 981 NH1 ARG A 142 11.722 9.979 20.702 1.00 0.82 N
+ATOM 982 NH2 ARG A 142 12.106 7.818 20.046 1.00 0.82 N
+ATOM 983 N PHE A 143 15.147 12.853 25.090 1.00 0.89 N
+ATOM 984 CA PHE A 143 14.609 12.711 26.432 1.00 0.89 C
+ATOM 985 C PHE A 143 13.623 13.811 26.810 1.00 0.89 C
+ATOM 986 O PHE A 143 12.576 13.537 27.399 1.00 0.89 O
+ATOM 987 CB PHE A 143 15.751 12.645 27.481 1.00 0.89 C
+ATOM 988 CG PHE A 143 16.514 11.336 27.525 1.00 0.89 C
+ATOM 989 CD1 PHE A 143 16.129 10.156 26.855 1.00 0.89 C
+ATOM 990 CD2 PHE A 143 17.644 11.281 28.358 1.00 0.89 C
+ATOM 991 CE1 PHE A 143 16.852 8.965 27.023 1.00 0.89 C
+ATOM 992 CE2 PHE A 143 18.376 10.098 28.518 1.00 0.89 C
+ATOM 993 CZ PHE A 143 17.976 8.936 27.853 1.00 0.89 C
+ATOM 994 N ARG A 144 13.906 15.083 26.451 1.00 0.84 N
+ATOM 995 CA ARG A 144 12.980 16.188 26.660 1.00 0.84 C
+ATOM 996 C ARG A 144 11.674 16.031 25.894 1.00 0.84 C
+ATOM 997 O ARG A 144 10.595 16.198 26.453 1.00 0.84 O
+ATOM 998 CB ARG A 144 13.656 17.541 26.325 1.00 0.84 C
+ATOM 999 CG ARG A 144 12.762 18.791 26.501 1.00 0.84 C
+ATOM 1000 CD ARG A 144 13.484 20.153 26.476 1.00 0.84 C
+ATOM 1001 NE ARG A 144 14.260 20.321 25.202 1.00 0.84 N
+ATOM 1002 CZ ARG A 144 15.558 20.019 25.047 1.00 0.84 C
+ATOM 1003 NH1 ARG A 144 16.320 19.607 26.049 1.00 0.84 N
+ATOM 1004 NH2 ARG A 144 16.085 20.132 23.830 1.00 0.84 N
+ATOM 1005 N MET A 145 11.735 15.629 24.609 1.00 0.89 N
+ATOM 1006 CA MET A 145 10.562 15.355 23.793 1.00 0.89 C
+ATOM 1007 C MET A 145 9.697 14.231 24.338 1.00 0.89 C
+ATOM 1008 O MET A 145 8.473 14.279 24.283 1.00 0.89 O
+ATOM 1009 CB MET A 145 10.961 14.990 22.344 1.00 0.89 C
+ATOM 1010 CG MET A 145 11.520 16.166 21.523 1.00 0.89 C
+ATOM 1011 SD MET A 145 12.204 15.661 19.911 1.00 0.89 S
+ATOM 1012 CE MET A 145 10.603 15.328 19.118 1.00 0.89 C
+ATOM 1013 N MET A 146 10.322 13.179 24.897 1.00 0.89 N
+ATOM 1014 CA MET A 146 9.597 12.062 25.457 1.00 0.89 C
+ATOM 1015 C MET A 146 9.074 12.321 26.857 1.00 0.89 C
+ATOM 1016 O MET A 146 8.320 11.504 27.387 1.00 0.89 O
+ATOM 1017 CB MET A 146 10.496 10.807 25.514 1.00 0.89 C
+ATOM 1018 CG MET A 146 10.758 10.203 24.126 1.00 0.89 C
+ATOM 1019 SD MET A 146 11.728 8.668 24.159 1.00 0.89 S
+ATOM 1020 CE MET A 146 10.486 7.602 24.943 1.00 0.89 C
+ATOM 1021 N ASN A 147 9.480 13.437 27.501 1.00 0.88 N
+ATOM 1022 CA ASN A 147 9.172 13.741 28.886 1.00 0.88 C
+ATOM 1023 C ASN A 147 9.667 12.642 29.826 1.00 0.88 C
+ATOM 1024 O ASN A 147 8.903 12.052 30.591 1.00 0.88 O
+ATOM 1025 CB ASN A 147 7.663 14.078 29.053 1.00 0.88 C
+ATOM 1026 CG ASN A 147 7.365 14.740 30.392 1.00 0.88 C
+ATOM 1027 OD1 ASN A 147 8.170 15.488 30.945 1.00 0.88 O
+ATOM 1028 ND2 ASN A 147 6.160 14.466 30.941 1.00 0.88 N
+ATOM 1029 N LEU A 148 10.968 12.292 29.732 1.00 0.90 N
+ATOM 1030 CA LEU A 148 11.572 11.256 30.558 1.00 0.90 C
+ATOM 1031 C LEU A 148 11.487 11.565 32.048 1.00 0.90 C
+ATOM 1032 O LEU A 148 11.887 12.635 32.502 1.00 0.90 O
+ATOM 1033 CB LEU A 148 13.054 11.018 30.166 1.00 0.90 C
+ATOM 1034 CG LEU A 148 13.719 9.790 30.827 1.00 0.90 C
+ATOM 1035 CD1 LEU A 148 13.186 8.479 30.243 1.00 0.90 C
+ATOM 1036 CD2 LEU A 148 15.242 9.822 30.658 1.00 0.90 C
+ATOM 1037 N GLN A 149 10.947 10.628 32.848 1.00 0.88 N
+ATOM 1038 CA GLN A 149 10.814 10.816 34.279 1.00 0.88 C
+ATOM 1039 C GLN A 149 12.024 10.289 35.023 1.00 0.88 C
+ATOM 1040 O GLN A 149 12.817 9.498 34.506 1.00 0.88 O
+ATOM 1041 CB GLN A 149 9.520 10.167 34.817 1.00 0.88 C
+ATOM 1042 CG GLN A 149 8.237 10.721 34.151 1.00 0.88 C
+ATOM 1043 CD GLN A 149 8.066 12.223 34.388 1.00 0.88 C
+ATOM 1044 OE1 GLN A 149 7.748 12.687 35.483 1.00 0.88 O
+ATOM 1045 NE2 GLN A 149 8.275 13.027 33.321 1.00 0.88 N
+ATOM 1046 N GLY A 150 12.223 10.727 36.286 1.00 0.91 N
+ATOM 1047 CA GLY A 150 13.420 10.372 37.048 1.00 0.91 C
+ATOM 1048 C GLY A 150 13.482 8.912 37.380 1.00 0.91 C
+ATOM 1049 O GLY A 150 14.531 8.278 37.329 1.00 0.91 O
+ATOM 1050 N GLU A 151 12.315 8.326 37.649 1.00 0.88 N
+ATOM 1051 CA GLU A 151 12.099 6.922 37.860 1.00 0.88 C
+ATOM 1052 C GLU A 151 12.479 6.094 36.644 1.00 0.88 C
+ATOM 1053 O GLU A 151 13.097 5.036 36.742 1.00 0.88 O
+ATOM 1054 CB GLU A 151 10.608 6.689 38.188 1.00 0.88 C
+ATOM 1055 CG GLU A 151 10.107 7.347 39.495 1.00 0.88 C
+ATOM 1056 CD GLU A 151 9.661 8.803 39.364 1.00 0.88 C
+ATOM 1057 OE1 GLU A 151 10.045 9.490 38.382 1.00 0.88 O
+ATOM 1058 OE2 GLU A 151 8.905 9.222 40.275 1.00 0.88 O
+ATOM 1059 N GLU A 152 12.142 6.582 35.437 1.00 0.90 N
+ATOM 1060 CA GLU A 152 12.550 5.951 34.202 1.00 0.90 C
+ATOM 1061 C GLU A 152 14.045 6.023 33.957 1.00 0.90 C
+ATOM 1062 O GLU A 152 14.681 5.036 33.592 1.00 0.90 O
+ATOM 1063 CB GLU A 152 11.805 6.560 33.003 1.00 0.90 C
+ATOM 1064 CG GLU A 152 10.273 6.461 33.143 1.00 0.90 C
+ATOM 1065 CD GLU A 152 9.583 7.110 31.960 1.00 0.90 C
+ATOM 1066 OE1 GLU A 152 9.813 8.321 31.690 1.00 0.90 O
+ATOM 1067 OE2 GLU A 152 8.806 6.408 31.267 1.00 0.90 O
+ATOM 1068 N PHE A 153 14.657 7.195 34.207 1.00 0.93 N
+ATOM 1069 CA PHE A 153 16.083 7.412 34.078 1.00 0.93 C
+ATOM 1070 C PHE A 153 16.915 6.495 34.967 1.00 0.93 C
+ATOM 1071 O PHE A 153 17.882 5.886 34.504 1.00 0.93 O
+ATOM 1072 CB PHE A 153 16.352 8.912 34.390 1.00 0.93 C
+ATOM 1073 CG PHE A 153 17.796 9.238 34.657 1.00 0.93 C
+ATOM 1074 CD1 PHE A 153 18.757 9.136 33.642 1.00 0.93 C
+ATOM 1075 CD2 PHE A 153 18.203 9.571 35.959 1.00 0.93 C
+ATOM 1076 CE1 PHE A 153 20.109 9.356 33.932 1.00 0.93 C
+ATOM 1077 CE2 PHE A 153 19.551 9.805 36.247 1.00 0.93 C
+ATOM 1078 CZ PHE A 153 20.508 9.691 35.232 1.00 0.93 C
+ATOM 1079 N VAL A 154 16.552 6.340 36.255 1.00 0.93 N
+ATOM 1080 CA VAL A 154 17.312 5.486 37.152 1.00 0.93 C
+ATOM 1081 C VAL A 154 17.272 4.024 36.740 1.00 0.93 C
+ATOM 1082 O VAL A 154 18.287 3.329 36.782 1.00 0.93 O
+ATOM 1083 CB VAL A 154 16.979 5.668 38.624 1.00 0.93 C
+ATOM 1084 CG1 VAL A 154 17.269 7.121 39.033 1.00 0.93 C
+ATOM 1085 CG2 VAL A 154 15.520 5.309 38.939 1.00 0.93 C
+ATOM 1086 N CYS A 155 16.109 3.539 36.253 1.00 0.92 N
+ATOM 1087 CA CYS A 155 15.998 2.219 35.664 1.00 0.92 C
+ATOM 1088 C CYS A 155 16.863 2.027 34.432 1.00 0.92 C
+ATOM 1089 O CYS A 155 17.539 1.015 34.287 1.00 0.92 O
+ATOM 1090 CB CYS A 155 14.534 1.891 35.303 1.00 0.92 C
+ATOM 1091 SG CYS A 155 13.537 1.638 36.813 1.00 0.92 S
+ATOM 1092 N LEU A 156 16.913 3.005 33.510 1.00 0.93 N
+ATOM 1093 CA LEU A 156 17.770 2.921 32.338 1.00 0.93 C
+ATOM 1094 C LEU A 156 19.250 2.857 32.679 1.00 0.93 C
+ATOM 1095 O LEU A 156 20.004 2.073 32.110 1.00 0.93 O
+ATOM 1096 CB LEU A 156 17.545 4.116 31.380 1.00 0.93 C
+ATOM 1097 CG LEU A 156 16.167 4.157 30.690 1.00 0.93 C
+ATOM 1098 CD1 LEU A 156 16.030 5.426 29.834 1.00 0.93 C
+ATOM 1099 CD2 LEU A 156 15.911 2.915 29.825 1.00 0.93 C
+ATOM 1100 N LYS A 157 19.698 3.667 33.654 1.00 0.93 N
+ATOM 1101 CA LYS A 157 21.072 3.674 34.118 1.00 0.93 C
+ATOM 1102 C LYS A 157 21.497 2.348 34.746 1.00 0.93 C
+ATOM 1103 O LYS A 157 22.580 1.826 34.478 1.00 0.93 O
+ATOM 1104 CB LYS A 157 21.261 4.870 35.080 1.00 0.93 C
+ATOM 1105 CG LYS A 157 22.719 5.262 35.368 1.00 0.93 C
+ATOM 1106 CD LYS A 157 22.851 6.621 36.088 1.00 0.93 C
+ATOM 1107 CE LYS A 157 22.005 6.731 37.361 1.00 0.93 C
+ATOM 1108 NZ LYS A 157 22.259 7.996 38.064 1.00 0.93 N
+ATOM 1109 N SER A 158 20.625 1.727 35.567 1.00 0.94 N
+ATOM 1110 CA SER A 158 20.844 0.382 36.073 1.00 0.94 C
+ATOM 1111 C SER A 158 20.816 -0.709 35.018 1.00 0.94 C
+ATOM 1112 O SER A 158 21.609 -1.648 35.069 1.00 0.94 O
+ATOM 1113 CB SER A 158 19.912 0.027 37.250 1.00 0.94 C
+ATOM 1114 OG SER A 158 18.546 0.080 36.879 1.00 0.94 O
+ATOM 1115 N ILE A 159 19.943 -0.596 33.998 1.00 0.91 N
+ATOM 1116 CA ILE A 159 19.951 -1.480 32.840 1.00 0.91 C
+ATOM 1117 C ILE A 159 21.276 -1.416 32.084 1.00 0.91 C
+ATOM 1118 O ILE A 159 21.837 -2.450 31.724 1.00 0.91 O
+ATOM 1119 CB ILE A 159 18.762 -1.206 31.917 1.00 0.91 C
+ATOM 1120 CG1 ILE A 159 17.449 -1.735 32.540 1.00 0.91 C
+ATOM 1121 CG2 ILE A 159 18.971 -1.849 30.532 1.00 0.91 C
+ATOM 1122 CD1 ILE A 159 16.190 -1.169 31.869 1.00 0.91 C
+ATOM 1123 N ILE A 160 21.855 -0.212 31.873 1.00 0.93 N
+ATOM 1124 CA ILE A 160 23.158 -0.054 31.227 1.00 0.93 C
+ATOM 1125 C ILE A 160 24.261 -0.799 31.973 1.00 0.93 C
+ATOM 1126 O ILE A 160 25.040 -1.546 31.382 1.00 0.93 O
+ATOM 1127 CB ILE A 160 23.536 1.423 31.090 1.00 0.93 C
+ATOM 1128 CG1 ILE A 160 22.622 2.144 30.074 1.00 0.93 C
+ATOM 1129 CG2 ILE A 160 25.009 1.587 30.656 1.00 0.93 C
+ATOM 1130 CD1 ILE A 160 22.764 3.670 30.130 1.00 0.93 C
+ATOM 1131 N LEU A 161 24.305 -0.678 33.317 1.00 0.93 N
+ATOM 1132 CA LEU A 161 25.293 -1.345 34.150 1.00 0.93 C
+ATOM 1133 C LEU A 161 25.275 -2.857 34.010 1.00 0.93 C
+ATOM 1134 O LEU A 161 26.312 -3.504 33.890 1.00 0.93 O
+ATOM 1135 CB LEU A 161 25.050 -0.979 35.636 1.00 0.93 C
+ATOM 1136 CG LEU A 161 25.997 -1.639 36.664 1.00 0.93 C
+ATOM 1137 CD1 LEU A 161 27.456 -1.207 36.470 1.00 0.93 C
+ATOM 1138 CD2 LEU A 161 25.547 -1.317 38.094 1.00 0.93 C
+ATOM 1139 N LEU A 162 24.077 -3.461 33.993 1.00 0.91 N
+ATOM 1140 CA LEU A 162 23.953 -4.900 33.963 1.00 0.91 C
+ATOM 1141 C LEU A 162 23.962 -5.475 32.559 1.00 0.91 C
+ATOM 1142 O LEU A 162 24.206 -6.665 32.375 1.00 0.91 O
+ATOM 1143 CB LEU A 162 22.641 -5.323 34.649 1.00 0.91 C
+ATOM 1144 CG LEU A 162 22.515 -4.891 36.120 1.00 0.91 C
+ATOM 1145 CD1 LEU A 162 21.112 -5.218 36.615 1.00 0.91 C
+ATOM 1146 CD2 LEU A 162 23.563 -5.546 37.025 1.00 0.91 C
+ATOM 1147 N ASN A 163 23.730 -4.653 31.514 1.00 0.89 N
+ATOM 1148 CA ASN A 163 23.671 -5.163 30.160 1.00 0.89 C
+ATOM 1149 C ASN A 163 24.938 -4.920 29.366 1.00 0.89 C
+ATOM 1150 O ASN A 163 25.292 -5.735 28.515 1.00 0.89 O
+ATOM 1151 CB ASN A 163 22.460 -4.553 29.405 1.00 0.89 C
+ATOM 1152 CG ASN A 163 22.283 -5.179 28.027 1.00 0.89 C
+ATOM 1153 OD1 ASN A 163 22.553 -4.557 26.998 1.00 0.89 O
+ATOM 1154 ND2 ASN A 163 21.846 -6.459 28.003 1.00 0.89 N
+ATOM 1155 N SER A 164 25.686 -3.829 29.593 1.00 0.92 N
+ATOM 1156 CA SER A 164 26.783 -3.505 28.690 1.00 0.92 C
+ATOM 1157 C SER A 164 27.900 -4.507 28.626 1.00 0.92 C
+ATOM 1158 O SER A 164 28.476 -4.743 27.566 1.00 0.92 O
+ATOM 1159 CB SER A 164 27.340 -2.091 28.874 1.00 0.92 C
+ATOM 1160 OG SER A 164 26.342 -1.185 28.424 1.00 0.92 O
+ATOM 1161 N GLY A 165 28.235 -5.159 29.752 1.00 0.89 N
+ATOM 1162 CA GLY A 165 29.241 -6.214 29.729 1.00 0.89 C
+ATOM 1163 C GLY A 165 28.736 -7.624 29.542 1.00 0.89 C
+ATOM 1164 O GLY A 165 29.535 -8.548 29.420 1.00 0.89 O
+ATOM 1165 N VAL A 166 27.410 -7.879 29.496 1.00 0.84 N
+ATOM 1166 CA VAL A 166 26.894 -9.239 29.666 1.00 0.84 C
+ATOM 1167 C VAL A 166 27.189 -10.181 28.502 1.00 0.84 C
+ATOM 1168 O VAL A 166 27.261 -11.406 28.634 1.00 0.84 O
+ATOM 1169 CB VAL A 166 25.415 -9.236 30.045 1.00 0.84 C
+ATOM 1170 CG1 VAL A 166 24.492 -9.000 28.837 1.00 0.84 C
+ATOM 1171 CG2 VAL A 166 25.042 -10.553 30.753 1.00 0.84 C
+ATOM 1172 N TYR A 167 27.449 -9.603 27.317 1.00 0.81 N
+ATOM 1173 CA TYR A 167 27.778 -10.351 26.123 1.00 0.81 C
+ATOM 1174 C TYR A 167 29.260 -10.272 25.779 1.00 0.81 C
+ATOM 1175 O TYR A 167 29.684 -10.757 24.734 1.00 0.81 O
+ATOM 1176 CB TYR A 167 26.897 -9.886 24.937 1.00 0.81 C
+ATOM 1177 CG TYR A 167 25.427 -10.075 25.244 1.00 0.81 C
+ATOM 1178 CD1 TYR A 167 24.938 -11.322 25.671 1.00 0.81 C
+ATOM 1179 CD2 TYR A 167 24.520 -9.009 25.122 1.00 0.81 C
+ATOM 1180 CE1 TYR A 167 23.585 -11.491 25.987 1.00 0.81 C
+ATOM 1181 CE2 TYR A 167 23.158 -9.180 25.420 1.00 0.81 C
+ATOM 1182 CZ TYR A 167 22.689 -10.426 25.854 1.00 0.81 C
+ATOM 1183 OH TYR A 167 21.322 -10.629 26.149 1.00 0.81 O
+ATOM 1184 N THR A 168 30.103 -9.701 26.670 1.00 0.80 N
+ATOM 1185 CA THR A 168 31.553 -9.662 26.474 1.00 0.80 C
+ATOM 1186 C THR A 168 32.327 -10.430 27.536 1.00 0.80 C
+ATOM 1187 O THR A 168 33.554 -10.420 27.549 1.00 0.80 O
+ATOM 1188 CB THR A 168 32.115 -8.242 26.409 1.00 0.80 C
+ATOM 1189 OG1 THR A 168 31.713 -7.456 27.524 1.00 0.80 O
+ATOM 1190 CG2 THR A 168 31.577 -7.545 25.150 1.00 0.80 C
+ATOM 1191 N PHE A 169 31.646 -11.144 28.455 1.00 0.72 N
+ATOM 1192 CA PHE A 169 32.287 -12.006 29.439 1.00 0.72 C
+ATOM 1193 C PHE A 169 33.114 -13.148 28.852 1.00 0.72 C
+ATOM 1194 O PHE A 169 32.644 -13.902 27.993 1.00 0.72 O
+ATOM 1195 CB PHE A 169 31.222 -12.674 30.336 1.00 0.72 C
+ATOM 1196 CG PHE A 169 30.711 -11.779 31.415 1.00 0.72 C
+ATOM 1197 CD1 PHE A 169 31.549 -11.482 32.495 1.00 0.72 C
+ATOM 1198 CD2 PHE A 169 29.380 -11.336 31.445 1.00 0.72 C
+ATOM 1199 CE1 PHE A 169 31.062 -10.780 33.597 1.00 0.72 C
+ATOM 1200 CE2 PHE A 169 28.896 -10.608 32.542 1.00 0.72 C
+ATOM 1201 CZ PHE A 169 29.735 -10.344 33.629 1.00 0.72 C
+ATOM 1202 N LEU A 170 34.342 -13.341 29.374 1.00 0.64 N
+ATOM 1203 CA LEU A 170 35.183 -14.486 29.085 1.00 0.64 C
+ATOM 1204 C LEU A 170 34.767 -15.672 29.946 1.00 0.64 C
+ATOM 1205 O LEU A 170 35.264 -15.891 31.048 1.00 0.64 O
+ATOM 1206 CB LEU A 170 36.674 -14.161 29.334 1.00 0.64 C
+ATOM 1207 CG LEU A 170 37.235 -13.015 28.470 1.00 0.64 C
+ATOM 1208 CD1 LEU A 170 38.689 -12.725 28.864 1.00 0.64 C
+ATOM 1209 CD2 LEU A 170 37.162 -13.330 26.969 1.00 0.64 C
+ATOM 1210 N SER A 171 33.804 -16.459 29.440 1.00 0.63 N
+ATOM 1211 CA SER A 171 33.099 -17.461 30.217 1.00 0.63 C
+ATOM 1212 C SER A 171 33.052 -18.775 29.475 1.00 0.63 C
+ATOM 1213 O SER A 171 32.551 -18.856 28.354 1.00 0.63 O
+ATOM 1214 CB SER A 171 31.617 -17.074 30.431 1.00 0.63 C
+ATOM 1215 OG SER A 171 31.461 -15.901 31.223 1.00 0.63 O
+ATOM 1216 N SER A 172 33.532 -19.854 30.112 1.00 0.60 N
+ATOM 1217 CA SER A 172 33.743 -21.139 29.474 1.00 0.60 C
+ATOM 1218 C SER A 172 33.489 -22.272 30.450 1.00 0.60 C
+ATOM 1219 O SER A 172 33.851 -23.417 30.211 1.00 0.60 O
+ATOM 1220 CB SER A 172 35.213 -21.256 28.989 1.00 0.60 C
+ATOM 1221 OG SER A 172 36.124 -21.028 30.070 1.00 0.60 O
+ATOM 1222 N THR A 173 32.811 -22.003 31.580 1.00 0.66 N
+ATOM 1223 CA THR A 173 32.485 -23.080 32.521 1.00 0.66 C
+ATOM 1224 C THR A 173 31.067 -22.970 33.016 1.00 0.66 C
+ATOM 1225 O THR A 173 30.499 -21.884 32.936 1.00 0.66 O
+ATOM 1226 CB THR A 173 33.356 -23.155 33.704 1.00 0.66 C
+ATOM 1227 OG1 THR A 173 33.268 -22.022 34.401 1.00 0.66 O
+ATOM 1228 CG2 THR A 173 34.875 -23.236 33.365 1.00 0.66 C
+ATOM 1229 N LEU A 174 30.510 -24.062 33.593 1.00 0.82 N
+ATOM 1230 CA LEU A 174 29.107 -24.132 33.996 1.00 0.82 C
+ATOM 1231 C LEU A 174 28.741 -23.036 34.967 1.00 0.82 C
+ATOM 1232 O LEU A 174 27.774 -22.315 34.745 1.00 0.82 O
+ATOM 1233 CB LEU A 174 28.730 -25.502 34.632 1.00 0.82 C
+ATOM 1234 CG LEU A 174 27.282 -25.628 35.183 1.00 0.82 C
+ATOM 1235 CD1 LEU A 174 26.213 -25.493 34.089 1.00 0.82 C
+ATOM 1236 CD2 LEU A 174 27.074 -26.962 35.917 1.00 0.82 C
+ATOM 1237 N LYS A 175 29.593 -22.797 35.985 1.00 0.68 N
+ATOM 1238 CA LYS A 175 29.414 -21.720 36.946 1.00 0.68 C
+ATOM 1239 C LYS A 175 29.215 -20.352 36.294 1.00 0.68 C
+ATOM 1240 O LYS A 175 28.328 -19.593 36.667 1.00 0.68 O
+ATOM 1241 CB LYS A 175 30.604 -21.674 37.949 1.00 0.68 C
+ATOM 1242 CG LYS A 175 31.973 -21.385 37.325 1.00 0.68 C
+ATOM 1243 CD LYS A 175 33.148 -21.362 38.305 1.00 0.68 C
+ATOM 1244 CE LYS A 175 34.433 -20.765 37.709 1.00 0.68 C
+ATOM 1245 NZ LYS A 175 35.030 -21.660 36.687 1.00 0.68 N
+ATOM 1246 N SER A 176 29.979 -20.071 35.221 1.00 0.71 N
+ATOM 1247 CA SER A 176 29.904 -18.848 34.456 1.00 0.71 C
+ATOM 1248 C SER A 176 28.607 -18.695 33.687 1.00 0.71 C
+ATOM 1249 O SER A 176 28.140 -17.586 33.441 1.00 0.71 O
+ATOM 1250 CB SER A 176 31.050 -18.724 33.408 1.00 0.71 C
+ATOM 1251 OG SER A 176 32.359 -19.039 33.867 1.00 0.71 O
+ATOM 1252 N LEU A 177 27.986 -19.806 33.241 1.00 0.70 N
+ATOM 1253 CA LEU A 177 26.660 -19.772 32.647 1.00 0.70 C
+ATOM 1254 C LEU A 177 25.612 -19.373 33.674 1.00 0.70 C
+ATOM 1255 O LEU A 177 24.773 -18.513 33.419 1.00 0.70 O
+ATOM 1256 CB LEU A 177 26.275 -21.122 31.998 1.00 0.70 C
+ATOM 1257 CG LEU A 177 27.114 -21.528 30.767 1.00 0.70 C
+ATOM 1258 CD1 LEU A 177 26.710 -22.937 30.307 1.00 0.70 C
+ATOM 1259 CD2 LEU A 177 26.950 -20.547 29.597 1.00 0.70 C
+ATOM 1260 N GLU A 178 25.697 -19.934 34.897 1.00 0.68 N
+ATOM 1261 CA GLU A 178 24.831 -19.570 36.002 1.00 0.68 C
+ATOM 1262 C GLU A 178 24.999 -18.118 36.436 1.00 0.68 C
+ATOM 1263 O GLU A 178 24.025 -17.408 36.688 1.00 0.68 O
+ATOM 1264 CB GLU A 178 25.017 -20.519 37.208 1.00 0.68 C
+ATOM 1265 CG GLU A 178 24.878 -22.019 36.846 1.00 0.68 C
+ATOM 1266 CD GLU A 178 24.850 -22.910 38.087 1.00 0.68 C
+ATOM 1267 OE1 GLU A 178 23.860 -22.813 38.857 1.00 0.68 O
+ATOM 1268 OE2 GLU A 178 25.813 -23.702 38.263 1.00 0.68 O
+ATOM 1269 N GLU A 179 26.247 -17.608 36.475 1.00 0.72 N
+ATOM 1270 CA GLU A 179 26.542 -16.203 36.706 1.00 0.72 C
+ATOM 1271 C GLU A 179 25.939 -15.287 35.636 1.00 0.72 C
+ATOM 1272 O GLU A 179 25.305 -14.281 35.954 1.00 0.72 O
+ATOM 1273 CB GLU A 179 28.071 -16.000 36.872 1.00 0.72 C
+ATOM 1274 CG GLU A 179 28.620 -16.691 38.155 1.00 0.72 C
+ATOM 1275 CD GLU A 179 30.139 -16.919 38.203 1.00 0.72 C
+ATOM 1276 OE1 GLU A 179 30.713 -17.482 37.228 1.00 0.72 O
+ATOM 1277 OE2 GLU A 179 30.738 -16.611 39.268 1.00 0.72 O
+ATOM 1278 N LYS A 180 26.019 -15.653 34.332 1.00 0.71 N
+ATOM 1279 CA LYS A 180 25.328 -14.926 33.272 1.00 0.71 C
+ATOM 1280 C LYS A 180 23.814 -14.906 33.416 1.00 0.71 C
+ATOM 1281 O LYS A 180 23.187 -13.849 33.335 1.00 0.71 O
+ATOM 1282 CB LYS A 180 25.631 -15.518 31.870 1.00 0.71 C
+ATOM 1283 CG LYS A 180 27.022 -15.174 31.333 1.00 0.71 C
+ATOM 1284 CD LYS A 180 27.204 -15.599 29.865 1.00 0.71 C
+ATOM 1285 CE LYS A 180 28.581 -15.187 29.353 1.00 0.71 C
+ATOM 1286 NZ LYS A 180 28.670 -15.219 27.877 1.00 0.71 N
+ATOM 1287 N ASP A 181 23.190 -16.067 33.671 1.00 0.71 N
+ATOM 1288 CA ASP A 181 21.757 -16.178 33.841 1.00 0.71 C
+ATOM 1289 C ASP A 181 21.263 -15.423 35.069 1.00 0.71 C
+ATOM 1290 O ASP A 181 20.216 -14.779 35.040 1.00 0.71 O
+ATOM 1291 CB ASP A 181 21.327 -17.662 33.807 1.00 0.71 C
+ATOM 1292 CG ASP A 181 21.308 -18.218 32.382 1.00 0.71 C
+ATOM 1293 OD1 ASP A 181 21.454 -17.434 31.406 1.00 0.71 O
+ATOM 1294 OD2 ASP A 181 21.089 -19.448 32.260 1.00 0.71 O
+ATOM 1295 N HIS A 182 22.047 -15.403 36.166 1.00 0.78 N
+ATOM 1296 CA HIS A 182 21.786 -14.556 37.316 1.00 0.78 C
+ATOM 1297 C HIS A 182 21.770 -13.078 36.974 1.00 0.78 C
+ATOM 1298 O HIS A 182 20.837 -12.375 37.348 1.00 0.78 O
+ATOM 1299 CB HIS A 182 22.824 -14.805 38.429 1.00 0.78 C
+ATOM 1300 CG HIS A 182 22.572 -14.053 39.703 1.00 0.78 C
+ATOM 1301 ND1 HIS A 182 21.494 -14.382 40.503 1.00 0.78 N
+ATOM 1302 CD2 HIS A 182 23.287 -13.048 40.268 1.00 0.78 C
+ATOM 1303 CE1 HIS A 182 21.585 -13.574 41.543 1.00 0.78 C
+ATOM 1304 NE2 HIS A 182 22.650 -12.742 41.450 1.00 0.78 N
+ATOM 1305 N ILE A 183 22.738 -12.567 36.189 1.00 0.80 N
+ATOM 1306 CA ILE A 183 22.740 -11.181 35.728 1.00 0.80 C
+ATOM 1307 C ILE A 183 21.532 -10.867 34.857 1.00 0.80 C
+ATOM 1308 O ILE A 183 20.896 -9.823 35.010 1.00 0.80 O
+ATOM 1309 CB ILE A 183 24.037 -10.812 35.018 1.00 0.80 C
+ATOM 1310 CG1 ILE A 183 25.230 -10.945 35.989 1.00 0.80 C
+ATOM 1311 CG2 ILE A 183 23.970 -9.363 34.485 1.00 0.80 C
+ATOM 1312 CD1 ILE A 183 26.592 -10.913 35.292 1.00 0.80 C
+ATOM 1313 N HIS A 184 21.119 -11.801 33.970 1.00 0.80 N
+ATOM 1314 CA HIS A 184 19.880 -11.647 33.221 1.00 0.80 C
+ATOM 1315 C HIS A 184 18.665 -11.520 34.136 1.00 0.80 C
+ATOM 1316 O HIS A 184 17.854 -10.613 33.985 1.00 0.80 O
+ATOM 1317 CB HIS A 184 19.637 -12.802 32.218 1.00 0.80 C
+ATOM 1318 CG HIS A 184 20.670 -12.917 31.133 1.00 0.80 C
+ATOM 1319 ND1 HIS A 184 21.021 -11.810 30.380 1.00 0.80 N
+ATOM 1320 CD2 HIS A 184 21.377 -14.000 30.722 1.00 0.80 C
+ATOM 1321 CE1 HIS A 184 21.944 -12.240 29.543 1.00 0.80 C
+ATOM 1322 NE2 HIS A 184 22.197 -13.562 29.705 1.00 0.80 N
+ATOM 1323 N ARG A 185 18.561 -12.351 35.194 1.00 0.77 N
+ATOM 1324 CA ARG A 185 17.450 -12.269 36.127 1.00 0.77 C
+ATOM 1325 C ARG A 185 17.486 -11.061 37.049 1.00 0.77 C
+ATOM 1326 O ARG A 185 16.495 -10.751 37.719 1.00 0.77 O
+ATOM 1327 CB ARG A 185 17.395 -13.491 37.076 1.00 0.77 C
+ATOM 1328 CG ARG A 185 17.183 -14.860 36.402 1.00 0.77 C
+ATOM 1329 CD ARG A 185 15.931 -15.004 35.523 1.00 0.77 C
+ATOM 1330 NE ARG A 185 14.702 -14.746 36.351 1.00 0.77 N
+ATOM 1331 CZ ARG A 185 14.142 -15.630 37.191 1.00 0.77 C
+ATOM 1332 NH1 ARG A 185 13.026 -15.299 37.837 1.00 0.77 N
+ATOM 1333 NH2 ARG A 185 14.682 -16.823 37.413 1.00 0.77 N
+ATOM 1334 N VAL A 186 18.634 -10.378 37.177 1.00 0.80 N
+ATOM 1335 CA VAL A 186 18.703 -9.058 37.774 1.00 0.80 C
+ATOM 1336 C VAL A 186 18.166 -7.996 36.817 1.00 0.80 C
+ATOM 1337 O VAL A 186 17.375 -7.139 37.208 1.00 0.80 O
+ATOM 1338 CB VAL A 186 20.106 -8.728 38.255 1.00 0.80 C
+ATOM 1339 CG1 VAL A 186 20.105 -7.378 38.973 1.00 0.80 C
+ATOM 1340 CG2 VAL A 186 20.574 -9.775 39.282 1.00 0.80 C
+ATOM 1341 N LEU A 187 18.524 -8.074 35.516 1.00 0.85 N
+ATOM 1342 CA LEU A 187 18.019 -7.193 34.470 1.00 0.85 C
+ATOM 1343 C LEU A 187 16.507 -7.241 34.326 1.00 0.85 C
+ATOM 1344 O LEU A 187 15.842 -6.206 34.285 1.00 0.85 O
+ATOM 1345 CB LEU A 187 18.640 -7.575 33.099 1.00 0.85 C
+ATOM 1346 CG LEU A 187 19.832 -6.723 32.640 1.00 0.85 C
+ATOM 1347 CD1 LEU A 187 20.508 -7.388 31.431 1.00 0.85 C
+ATOM 1348 CD2 LEU A 187 19.393 -5.300 32.273 1.00 0.85 C
+ATOM 1349 N ASP A 188 15.923 -8.455 34.309 1.00 0.84 N
+ATOM 1350 CA ASP A 188 14.497 -8.669 34.155 1.00 0.84 C
+ATOM 1351 C ASP A 188 13.674 -7.989 35.244 1.00 0.84 C
+ATOM 1352 O ASP A 188 12.635 -7.391 34.985 1.00 0.84 O
+ATOM 1353 CB ASP A 188 14.178 -10.181 34.155 1.00 0.84 C
+ATOM 1354 CG ASP A 188 14.890 -10.914 33.030 1.00 0.84 C
+ATOM 1355 OD1 ASP A 188 15.036 -10.342 31.917 1.00 0.84 O
+ATOM 1356 OD2 ASP A 188 15.311 -12.074 33.292 1.00 0.84 O
+ATOM 1357 N LYS A 189 14.169 -8.006 36.498 1.00 0.80 N
+ATOM 1358 CA LYS A 189 13.544 -7.313 37.609 1.00 0.80 C
+ATOM 1359 C LYS A 189 13.469 -5.800 37.422 1.00 0.80 C
+ATOM 1360 O LYS A 189 12.476 -5.159 37.756 1.00 0.80 O
+ATOM 1361 CB LYS A 189 14.292 -7.624 38.926 1.00 0.80 C
+ATOM 1362 CG LYS A 189 14.122 -9.075 39.395 1.00 0.80 C
+ATOM 1363 CD LYS A 189 14.979 -9.387 40.631 1.00 0.80 C
+ATOM 1364 CE LYS A 189 14.968 -10.874 40.994 1.00 0.80 C
+ATOM 1365 NZ LYS A 189 16.163 -11.553 40.441 1.00 0.80 N
+ATOM 1366 N ILE A 190 14.525 -5.175 36.869 1.00 0.84 N
+ATOM 1367 CA ILE A 190 14.525 -3.764 36.508 1.00 0.84 C
+ATOM 1368 C ILE A 190 13.560 -3.457 35.365 1.00 0.84 C
+ATOM 1369 O ILE A 190 12.849 -2.453 35.386 1.00 0.84 O
+ATOM 1370 CB ILE A 190 15.931 -3.261 36.213 1.00 0.84 C
+ATOM 1371 CG1 ILE A 190 16.877 -3.576 37.395 1.00 0.84 C
+ATOM 1372 CG2 ILE A 190 15.913 -1.737 35.969 1.00 0.84 C
+ATOM 1373 CD1 ILE A 190 18.344 -3.329 37.063 1.00 0.84 C
+ATOM 1374 N THR A 191 13.465 -4.338 34.351 1.00 0.86 N
+ATOM 1375 CA THR A 191 12.475 -4.233 33.275 1.00 0.86 C
+ATOM 1376 C THR A 191 11.048 -4.291 33.776 1.00 0.86 C
+ATOM 1377 O THR A 191 10.227 -3.441 33.424 1.00 0.86 O
+ATOM 1378 CB THR A 191 12.646 -5.318 32.228 1.00 0.86 C
+ATOM 1379 OG1 THR A 191 13.919 -5.174 31.610 1.00 0.86 O
+ATOM 1380 CG2 THR A 191 11.596 -5.200 31.112 1.00 0.86 C
+ATOM 1381 N ASP A 192 10.734 -5.242 34.681 1.00 0.82 N
+ATOM 1382 CA ASP A 192 9.443 -5.331 35.338 1.00 0.82 C
+ATOM 1383 C ASP A 192 9.100 -4.043 36.087 1.00 0.82 C
+ATOM 1384 O ASP A 192 8.010 -3.485 35.973 1.00 0.82 O
+ATOM 1385 CB ASP A 192 9.460 -6.490 36.370 1.00 0.82 C
+ATOM 1386 CG ASP A 192 9.389 -7.865 35.734 1.00 0.82 C
+ATOM 1387 OD1 ASP A 192 9.295 -7.991 34.490 1.00 0.82 O
+ATOM 1388 OD2 ASP A 192 9.403 -8.853 36.515 1.00 0.82 O
+ATOM 1389 N THR A 193 10.074 -3.496 36.835 1.00 0.83 N
+ATOM 1390 CA THR A 193 9.964 -2.232 37.553 1.00 0.83 C
+ATOM 1391 C THR A 193 9.731 -1.033 36.656 1.00 0.83 C
+ATOM 1392 O THR A 193 8.892 -0.179 36.943 1.00 0.83 O
+ATOM 1393 CB THR A 193 11.206 -1.987 38.392 1.00 0.83 C
+ATOM 1394 OG1 THR A 193 11.272 -2.955 39.422 1.00 0.83 O
+ATOM 1395 CG2 THR A 193 11.210 -0.620 39.068 1.00 0.83 C
+ATOM 1396 N LEU A 194 10.449 -0.938 35.519 1.00 0.81 N
+ATOM 1397 CA LEU A 194 10.281 0.134 34.551 1.00 0.81 C
+ATOM 1398 C LEU A 194 8.892 0.142 33.928 1.00 0.81 C
+ATOM 1399 O LEU A 194 8.229 1.175 33.853 1.00 0.81 O
+ATOM 1400 CB LEU A 194 11.395 0.065 33.473 1.00 0.81 C
+ATOM 1401 CG LEU A 194 11.360 1.141 32.364 1.00 0.81 C
+ATOM 1402 CD1 LEU A 194 11.319 2.573 32.917 1.00 0.81 C
+ATOM 1403 CD2 LEU A 194 12.578 0.992 31.438 1.00 0.81 C
+ATOM 1404 N ILE A 195 8.378 -1.037 33.540 1.00 0.82 N
+ATOM 1405 CA ILE A 195 7.011 -1.200 33.072 1.00 0.82 C
+ATOM 1406 C ILE A 195 5.972 -0.898 34.141 1.00 0.82 C
+ATOM 1407 O ILE A 195 4.971 -0.230 33.885 1.00 0.82 O
+ATOM 1408 CB ILE A 195 6.830 -2.593 32.500 1.00 0.82 C
+ATOM 1409 CG1 ILE A 195 7.536 -2.716 31.128 1.00 0.82 C
+ATOM 1410 CG2 ILE A 195 5.341 -2.981 32.398 1.00 0.82 C
+ATOM 1411 CD1 ILE A 195 6.841 -1.963 29.985 1.00 0.82 C
+ATOM 1412 N HIS A 196 6.202 -1.336 35.394 1.00 0.79 N
+ATOM 1413 CA HIS A 196 5.322 -1.059 36.517 1.00 0.79 C
+ATOM 1414 C HIS A 196 5.138 0.432 36.759 1.00 0.79 C
+ATOM 1415 O HIS A 196 4.037 0.912 37.016 1.00 0.79 O
+ATOM 1416 CB HIS A 196 5.877 -1.718 37.796 1.00 0.79 C
+ATOM 1417 CG HIS A 196 5.046 -1.502 39.021 1.00 0.79 C
+ATOM 1418 ND1 HIS A 196 3.861 -2.189 39.162 1.00 0.79 N
+ATOM 1419 CD2 HIS A 196 5.227 -0.654 40.067 1.00 0.79 C
+ATOM 1420 CE1 HIS A 196 3.337 -1.750 40.284 1.00 0.79 C
+ATOM 1421 NE2 HIS A 196 4.123 -0.817 40.877 1.00 0.79 N
+ATOM 1422 N LEU A 197 6.216 1.227 36.636 1.00 0.84 N
+ATOM 1423 CA LEU A 197 6.132 2.674 36.692 1.00 0.84 C
+ATOM 1424 C LEU A 197 5.287 3.283 35.594 1.00 0.84 C
+ATOM 1425 O LEU A 197 4.434 4.126 35.859 1.00 0.84 O
+ATOM 1426 CB LEU A 197 7.538 3.282 36.589 1.00 0.84 C
+ATOM 1427 CG LEU A 197 8.370 3.103 37.861 1.00 0.84 C
+ATOM 1428 CD1 LEU A 197 9.854 3.273 37.532 1.00 0.84 C
+ATOM 1429 CD2 LEU A 197 7.917 4.112 38.924 1.00 0.84 C
+ATOM 1430 N MET A 198 5.467 2.831 34.340 1.00 0.82 N
+ATOM 1431 CA MET A 198 4.672 3.278 33.215 1.00 0.82 C
+ATOM 1432 C MET A 198 3.198 2.953 33.376 1.00 0.82 C
+ATOM 1433 O MET A 198 2.324 3.775 33.107 1.00 0.82 O
+ATOM 1434 CB MET A 198 5.190 2.629 31.918 1.00 0.82 C
+ATOM 1435 CG MET A 198 6.594 3.096 31.512 1.00 0.82 C
+ATOM 1436 SD MET A 198 7.130 2.316 29.965 1.00 0.82 S
+ATOM 1437 CE MET A 198 8.783 3.049 29.993 1.00 0.82 C
+ATOM 1438 N ALA A 199 2.898 1.741 33.872 1.00 0.87 N
+ATOM 1439 CA ALA A 199 1.562 1.324 34.214 1.00 0.87 C
+ATOM 1440 C ALA A 199 0.934 2.145 35.335 1.00 0.87 C
+ATOM 1441 O ALA A 199 -0.205 2.594 35.232 1.00 0.87 O
+ATOM 1442 CB ALA A 199 1.617 -0.163 34.596 1.00 0.87 C
+ATOM 1443 N LYS A 200 1.694 2.426 36.413 1.00 0.78 N
+ATOM 1444 CA LYS A 200 1.265 3.282 37.507 1.00 0.78 C
+ATOM 1445 C LYS A 200 1.021 4.723 37.077 1.00 0.78 C
+ATOM 1446 O LYS A 200 0.154 5.412 37.606 1.00 0.78 O
+ATOM 1447 CB LYS A 200 2.288 3.249 38.672 1.00 0.78 C
+ATOM 1448 CG LYS A 200 1.731 3.800 39.998 1.00 0.78 C
+ATOM 1449 CD LYS A 200 2.787 3.962 41.110 1.00 0.78 C
+ATOM 1450 CE LYS A 200 3.709 5.172 40.900 1.00 0.78 C
+ATOM 1451 NZ LYS A 200 4.633 5.343 42.050 1.00 0.78 N
+ATOM 1452 N ALA A 201 1.784 5.209 36.082 1.00 0.86 N
+ATOM 1453 CA ALA A 201 1.628 6.529 35.514 1.00 0.86 C
+ATOM 1454 C ALA A 201 0.422 6.657 34.589 1.00 0.86 C
+ATOM 1455 O ALA A 201 0.056 7.757 34.182 1.00 0.86 O
+ATOM 1456 CB ALA A 201 2.904 6.893 34.736 1.00 0.86 C
+ATOM 1457 N GLY A 202 -0.232 5.527 34.246 1.00 0.89 N
+ATOM 1458 CA GLY A 202 -1.486 5.528 33.508 1.00 0.89 C
+ATOM 1459 C GLY A 202 -1.372 5.193 32.054 1.00 0.89 C
+ATOM 1460 O GLY A 202 -2.355 5.271 31.322 1.00 0.89 O
+ATOM 1461 N LEU A 203 -0.179 4.806 31.567 1.00 0.85 N
+ATOM 1462 CA LEU A 203 -0.032 4.375 30.191 1.00 0.85 C
+ATOM 1463 C LEU A 203 -0.792 3.090 29.894 1.00 0.85 C
+ATOM 1464 O LEU A 203 -0.799 2.139 30.677 1.00 0.85 O
+ATOM 1465 CB LEU A 203 1.448 4.170 29.791 1.00 0.85 C
+ATOM 1466 CG LEU A 203 2.328 5.436 29.795 1.00 0.85 C
+ATOM 1467 CD1 LEU A 203 3.685 5.128 29.147 1.00 0.85 C
+ATOM 1468 CD2 LEU A 203 1.679 6.616 29.060 1.00 0.85 C
+ATOM 1469 N THR A 204 -1.432 3.008 28.713 1.00 0.85 N
+ATOM 1470 CA THR A 204 -2.041 1.777 28.225 1.00 0.85 C
+ATOM 1471 C THR A 204 -0.996 0.707 27.959 1.00 0.85 C
+ATOM 1472 O THR A 204 0.187 1.005 27.823 1.00 0.85 O
+ATOM 1473 CB THR A 204 -2.912 1.945 26.978 1.00 0.85 C
+ATOM 1474 OG1 THR A 204 -2.150 2.259 25.816 1.00 0.85 O
+ATOM 1475 CG2 THR A 204 -3.923 3.080 27.189 1.00 0.85 C
+ATOM 1476 N LEU A 205 -1.384 -0.585 27.863 1.00 0.81 N
+ATOM 1477 CA LEU A 205 -0.440 -1.665 27.582 1.00 0.81 C
+ATOM 1478 C LEU A 205 0.368 -1.436 26.306 1.00 0.81 C
+ATOM 1479 O LEU A 205 1.586 -1.568 26.311 1.00 0.81 O
+ATOM 1480 CB LEU A 205 -1.157 -3.043 27.511 1.00 0.81 C
+ATOM 1481 CG LEU A 205 -1.345 -3.756 28.870 1.00 0.81 C
+ATOM 1482 CD1 LEU A 205 -2.291 -4.960 28.734 1.00 0.81 C
+ATOM 1483 CD2 LEU A 205 -0.007 -4.238 29.453 1.00 0.81 C
+ATOM 1484 N GLN A 206 -0.274 -0.987 25.208 1.00 0.78 N
+ATOM 1485 CA GLN A 206 0.433 -0.640 23.987 1.00 0.78 C
+ATOM 1486 C GLN A 206 1.440 0.492 24.173 1.00 0.78 C
+ATOM 1487 O GLN A 206 2.593 0.401 23.759 1.00 0.78 O
+ATOM 1488 CB GLN A 206 -0.587 -0.243 22.897 1.00 0.78 C
+ATOM 1489 CG GLN A 206 0.052 0.042 21.521 1.00 0.78 C
+ATOM 1490 CD GLN A 206 -1.004 0.395 20.478 1.00 0.78 C
+ATOM 1491 OE1 GLN A 206 -2.128 0.799 20.783 1.00 0.78 O
+ATOM 1492 NE2 GLN A 206 -0.635 0.242 19.187 1.00 0.78 N
+ATOM 1493 N GLN A 207 1.044 1.568 24.884 1.00 0.77 N
+ATOM 1494 CA GLN A 207 1.920 2.678 25.207 1.00 0.77 C
+ATOM 1495 C GLN A 207 3.099 2.278 26.079 1.00 0.77 C
+ATOM 1496 O GLN A 207 4.216 2.745 25.876 1.00 0.77 O
+ATOM 1497 CB GLN A 207 1.133 3.807 25.903 1.00 0.77 C
+ATOM 1498 CG GLN A 207 0.154 4.544 24.964 1.00 0.77 C
+ATOM 1499 CD GLN A 207 -0.778 5.459 25.756 1.00 0.77 C
+ATOM 1500 OE1 GLN A 207 -1.039 5.265 26.945 1.00 0.77 O
+ATOM 1501 NE2 GLN A 207 -1.324 6.491 25.073 1.00 0.77 N
+ATOM 1502 N GLN A 208 2.893 1.372 27.057 1.00 0.74 N
+ATOM 1503 CA GLN A 208 3.967 0.813 27.860 1.00 0.74 C
+ATOM 1504 C GLN A 208 5.007 0.079 27.022 1.00 0.74 C
+ATOM 1505 O GLN A 208 6.208 0.300 27.162 1.00 0.74 O
+ATOM 1506 CB GLN A 208 3.403 -0.194 28.894 1.00 0.74 C
+ATOM 1507 CG GLN A 208 2.538 0.434 30.008 1.00 0.74 C
+ATOM 1508 CD GLN A 208 1.774 -0.655 30.758 1.00 0.74 C
+ATOM 1509 OE1 GLN A 208 2.244 -1.779 30.936 1.00 0.74 O
+ATOM 1510 NE2 GLN A 208 0.537 -0.334 31.199 1.00 0.74 N
+ATOM 1511 N HIS A 209 4.569 -0.789 26.087 1.00 0.78 N
+ATOM 1512 CA HIS A 209 5.474 -1.540 25.233 1.00 0.78 C
+ATOM 1513 C HIS A 209 6.222 -0.669 24.241 1.00 0.78 C
+ATOM 1514 O HIS A 209 7.429 -0.816 24.051 1.00 0.78 O
+ATOM 1515 CB HIS A 209 4.735 -2.640 24.445 1.00 0.78 C
+ATOM 1516 CG HIS A 209 3.783 -3.453 25.271 1.00 0.78 C
+ATOM 1517 ND1 HIS A 209 2.758 -4.106 24.618 1.00 0.78 N
+ATOM 1518 CD2 HIS A 209 3.672 -3.634 26.613 1.00 0.78 C
+ATOM 1519 CE1 HIS A 209 2.039 -4.664 25.566 1.00 0.78 C
+ATOM 1520 NE2 HIS A 209 2.544 -4.407 26.795 1.00 0.78 N
+ATOM 1521 N GLN A 210 5.517 0.290 23.607 1.00 0.78 N
+ATOM 1522 CA GLN A 210 6.111 1.249 22.697 1.00 0.78 C
+ATOM 1523 C GLN A 210 7.119 2.145 23.389 1.00 0.78 C
+ATOM 1524 O GLN A 210 8.251 2.293 22.938 1.00 0.78 O
+ATOM 1525 CB GLN A 210 5.015 2.119 22.040 1.00 0.78 C
+ATOM 1526 CG GLN A 210 4.145 1.330 21.035 1.00 0.78 C
+ATOM 1527 CD GLN A 210 2.989 2.171 20.498 1.00 0.78 C
+ATOM 1528 OE1 GLN A 210 2.620 3.227 21.022 1.00 0.78 O
+ATOM 1529 NE2 GLN A 210 2.352 1.666 19.418 1.00 0.78 N
+ATOM 1530 N ARG A 211 6.770 2.704 24.564 1.00 0.80 N
+ATOM 1531 CA ARG A 211 7.678 3.536 25.327 1.00 0.80 C
+ATOM 1532 C ARG A 211 8.900 2.790 25.836 1.00 0.80 C
+ATOM 1533 O ARG A 211 10.016 3.297 25.762 1.00 0.80 O
+ATOM 1534 CB ARG A 211 6.950 4.245 26.486 1.00 0.80 C
+ATOM 1535 CG ARG A 211 7.798 5.340 27.159 1.00 0.80 C
+ATOM 1536 CD ARG A 211 7.027 6.107 28.232 1.00 0.80 C
+ATOM 1537 NE ARG A 211 7.954 7.073 28.882 1.00 0.80 N
+ATOM 1538 CZ ARG A 211 8.086 8.362 28.558 1.00 0.80 C
+ATOM 1539 NH1 ARG A 211 7.568 8.858 27.441 1.00 0.80 N
+ATOM 1540 NH2 ARG A 211 8.763 9.174 29.363 1.00 0.80 N
+ATOM 1541 N LEU A 212 8.740 1.533 26.310 1.00 0.85 N
+ATOM 1542 CA LEU A 212 9.867 0.688 26.674 1.00 0.85 C
+ATOM 1543 C LEU A 212 10.812 0.464 25.506 1.00 0.85 C
+ATOM 1544 O LEU A 212 12.022 0.637 25.623 1.00 0.85 O
+ATOM 1545 CB LEU A 212 9.365 -0.687 27.185 1.00 0.85 C
+ATOM 1546 CG LEU A 212 10.458 -1.724 27.532 1.00 0.85 C
+ATOM 1547 CD1 LEU A 212 11.302 -1.277 28.730 1.00 0.85 C
+ATOM 1548 CD2 LEU A 212 9.846 -3.103 27.816 1.00 0.85 C
+ATOM 1549 N ALA A 213 10.272 0.142 24.317 1.00 0.90 N
+ATOM 1550 CA ALA A 213 11.072 -0.034 23.131 1.00 0.90 C
+ATOM 1551 C ALA A 213 11.798 1.221 22.690 1.00 0.90 C
+ATOM 1552 O ALA A 213 12.989 1.191 22.394 1.00 0.90 O
+ATOM 1553 CB ALA A 213 10.185 -0.547 21.995 1.00 0.90 C
+ATOM 1554 N GLN A 214 11.110 2.376 22.711 1.00 0.84 N
+ATOM 1555 CA GLN A 214 11.699 3.654 22.377 1.00 0.84 C
+ATOM 1556 C GLN A 214 12.874 4.009 23.278 1.00 0.84 C
+ATOM 1557 O GLN A 214 13.923 4.430 22.797 1.00 0.84 O
+ATOM 1558 CB GLN A 214 10.626 4.764 22.457 1.00 0.84 C
+ATOM 1559 CG GLN A 214 9.558 4.690 21.340 1.00 0.84 C
+ATOM 1560 CD GLN A 214 8.366 5.595 21.665 1.00 0.84 C
+ATOM 1561 OE1 GLN A 214 8.419 6.434 22.570 1.00 0.84 O
+ATOM 1562 NE2 GLN A 214 7.270 5.442 20.898 1.00 0.84 N
+ATOM 1563 N LEU A 215 12.753 3.799 24.605 1.00 0.88 N
+ATOM 1564 CA LEU A 215 13.841 4.018 25.540 1.00 0.88 C
+ATOM 1565 C LEU A 215 15.025 3.076 25.363 1.00 0.88 C
+ATOM 1566 O LEU A 215 16.181 3.497 25.373 1.00 0.88 O
+ATOM 1567 CB LEU A 215 13.348 3.921 27.000 1.00 0.88 C
+ATOM 1568 CG LEU A 215 12.315 4.986 27.417 1.00 0.88 C
+ATOM 1569 CD1 LEU A 215 11.808 4.700 28.837 1.00 0.88 C
+ATOM 1570 CD2 LEU A 215 12.877 6.410 27.346 1.00 0.88 C
+ATOM 1571 N LEU A 216 14.780 1.767 25.163 1.00 0.93 N
+ATOM 1572 CA LEU A 216 15.845 0.803 24.935 1.00 0.93 C
+ATOM 1573 C LEU A 216 16.590 1.020 23.621 1.00 0.93 C
+ATOM 1574 O LEU A 216 17.805 0.861 23.535 1.00 0.93 O
+ATOM 1575 CB LEU A 216 15.331 -0.644 25.062 1.00 0.93 C
+ATOM 1576 CG LEU A 216 14.730 -0.979 26.445 1.00 0.93 C
+ATOM 1577 CD1 LEU A 216 14.197 -2.409 26.443 1.00 0.93 C
+ATOM 1578 CD2 LEU A 216 15.717 -0.809 27.607 1.00 0.93 C
+ATOM 1579 N LEU A 217 15.890 1.450 22.554 1.00 0.92 N
+ATOM 1580 CA LEU A 217 16.516 1.876 21.313 1.00 0.92 C
+ATOM 1581 C LEU A 217 17.403 3.112 21.457 1.00 0.92 C
+ATOM 1582 O LEU A 217 18.449 3.212 20.810 1.00 0.92 O
+ATOM 1583 CB LEU A 217 15.471 2.085 20.195 1.00 0.92 C
+ATOM 1584 CG LEU A 217 14.764 0.798 19.712 1.00 0.92 C
+ATOM 1585 CD1 LEU A 217 13.751 1.121 18.603 1.00 0.92 C
+ATOM 1586 CD2 LEU A 217 15.737 -0.282 19.221 1.00 0.92 C
+ATOM 1587 N ILE A 218 17.053 4.069 22.346 1.00 0.90 N
+ATOM 1588 CA ILE A 218 17.932 5.173 22.730 1.00 0.90 C
+ATOM 1589 C ILE A 218 19.221 4.681 23.382 1.00 0.90 C
+ATOM 1590 O ILE A 218 20.300 5.208 23.111 1.00 0.90 O
+ATOM 1591 CB ILE A 218 17.242 6.217 23.610 1.00 0.90 C
+ATOM 1592 CG1 ILE A 218 16.067 6.875 22.859 1.00 0.90 C
+ATOM 1593 CG2 ILE A 218 18.242 7.312 24.050 1.00 0.90 C
+ATOM 1594 CD1 ILE A 218 15.108 7.635 23.777 1.00 0.90 C
+ATOM 1595 N LEU A 219 19.170 3.615 24.210 1.00 0.90 N
+ATOM 1596 CA LEU A 219 20.357 3.010 24.798 1.00 0.90 C
+ATOM 1597 C LEU A 219 21.358 2.493 23.771 1.00 0.90 C
+ATOM 1598 O LEU A 219 22.566 2.600 23.956 1.00 0.90 O
+ATOM 1599 CB LEU A 219 20.025 1.870 25.789 1.00 0.90 C
+ATOM 1600 CG LEU A 219 19.177 2.281 27.010 1.00 0.90 C
+ATOM 1601 CD1 LEU A 219 19.003 1.093 27.967 1.00 0.90 C
+ATOM 1602 CD2 LEU A 219 19.777 3.469 27.769 1.00 0.90 C
+ATOM 1603 N SER A 220 20.887 1.961 22.625 1.00 0.91 N
+ATOM 1604 CA SER A 220 21.764 1.587 21.513 1.00 0.91 C
+ATOM 1605 C SER A 220 22.543 2.768 20.941 1.00 0.91 C
+ATOM 1606 O SER A 220 23.735 2.684 20.647 1.00 0.91 O
+ATOM 1607 CB SER A 220 20.982 0.843 20.395 1.00 0.91 C
+ATOM 1608 OG SER A 220 21.812 0.457 19.292 1.00 0.91 O
+ATOM 1609 N HIS A 221 21.897 3.942 20.819 1.00 0.87 N
+ATOM 1610 CA HIS A 221 22.589 5.180 20.501 1.00 0.87 C
+ATOM 1611 C HIS A 221 23.536 5.670 21.597 1.00 0.87 C
+ATOM 1612 O HIS A 221 24.625 6.146 21.298 1.00 0.87 O
+ATOM 1613 CB HIS A 221 21.610 6.292 20.094 1.00 0.87 C
+ATOM 1614 CG HIS A 221 20.834 5.950 18.854 1.00 0.87 C
+ATOM 1615 ND1 HIS A 221 21.408 6.130 17.603 1.00 0.87 N
+ATOM 1616 CD2 HIS A 221 19.565 5.490 18.724 1.00 0.87 C
+ATOM 1617 CE1 HIS A 221 20.460 5.796 16.743 1.00 0.87 C
+ATOM 1618 NE2 HIS A 221 19.331 5.389 17.372 1.00 0.87 N
+ATOM 1619 N ILE A 222 23.195 5.543 22.897 1.00 0.91 N
+ATOM 1620 CA ILE A 222 24.116 5.843 23.998 1.00 0.91 C
+ATOM 1621 C ILE A 222 25.354 4.952 23.981 1.00 0.91 C
+ATOM 1622 O ILE A 222 26.479 5.421 24.165 1.00 0.91 O
+ATOM 1623 CB ILE A 222 23.427 5.857 25.365 1.00 0.91 C
+ATOM 1624 CG1 ILE A 222 22.347 6.968 25.386 1.00 0.91 C
+ATOM 1625 CG2 ILE A 222 24.464 6.082 26.492 1.00 0.91 C
+ATOM 1626 CD1 ILE A 222 21.510 7.017 26.666 1.00 0.91 C
+ATOM 1627 N ARG A 223 25.192 3.651 23.667 1.00 0.86 N
+ATOM 1628 CA ARG A 223 26.303 2.746 23.432 1.00 0.86 C
+ATOM 1629 C ARG A 223 27.188 3.206 22.284 1.00 0.86 C
+ATOM 1630 O ARG A 223 28.412 3.249 22.394 1.00 0.86 O
+ATOM 1631 CB ARG A 223 25.782 1.324 23.119 1.00 0.86 C
+ATOM 1632 CG ARG A 223 26.880 0.247 22.967 1.00 0.86 C
+ATOM 1633 CD ARG A 223 27.584 -0.152 24.271 1.00 0.86 C
+ATOM 1634 NE ARG A 223 26.593 -0.914 25.091 1.00 0.86 N
+ATOM 1635 CZ ARG A 223 26.345 -2.222 24.965 1.00 0.86 C
+ATOM 1636 NH1 ARG A 223 27.104 -2.995 24.190 1.00 0.86 N
+ATOM 1637 NH2 ARG A 223 25.320 -2.767 25.615 1.00 0.86 N
+ATOM 1638 N HIS A 224 26.572 3.640 21.167 1.00 0.88 N
+ATOM 1639 CA HIS A 224 27.279 4.212 20.039 1.00 0.88 C
+ATOM 1640 C HIS A 224 28.069 5.462 20.398 1.00 0.88 C
+ATOM 1641 O HIS A 224 29.241 5.589 20.057 1.00 0.88 O
+ATOM 1642 CB HIS A 224 26.271 4.545 18.919 1.00 0.88 C
+ATOM 1643 CG HIS A 224 26.891 5.005 17.646 1.00 0.88 C
+ATOM 1644 ND1 HIS A 224 27.468 4.075 16.814 1.00 0.88 N
+ATOM 1645 CD2 HIS A 224 27.089 6.258 17.170 1.00 0.88 C
+ATOM 1646 CE1 HIS A 224 28.026 4.777 15.846 1.00 0.88 C
+ATOM 1647 NE2 HIS A 224 27.821 6.109 16.012 1.00 0.88 N
+ATOM 1648 N MET A 225 27.477 6.398 21.168 1.00 0.89 N
+ATOM 1649 CA MET A 225 28.178 7.572 21.655 1.00 0.89 C
+ATOM 1650 C MET A 225 29.359 7.231 22.541 1.00 0.89 C
+ATOM 1651 O MET A 225 30.436 7.807 22.407 1.00 0.89 O
+ATOM 1652 CB MET A 225 27.247 8.500 22.461 1.00 0.89 C
+ATOM 1653 CG MET A 225 26.101 9.102 21.641 1.00 0.89 C
+ATOM 1654 SD MET A 225 25.244 10.450 22.496 1.00 0.89 S
+ATOM 1655 CE MET A 225 24.443 9.521 23.821 1.00 0.89 C
+ATOM 1656 N SER A 226 29.191 6.243 23.441 1.00 0.91 N
+ATOM 1657 CA SER A 226 30.265 5.742 24.286 1.00 0.91 C
+ATOM 1658 C SER A 226 31.403 5.155 23.481 1.00 0.91 C
+ATOM 1659 O SER A 226 32.567 5.464 23.710 1.00 0.91 O
+ATOM 1660 CB SER A 226 29.746 4.667 25.271 1.00 0.91 C
+ATOM 1661 OG SER A 226 30.773 4.143 26.119 1.00 0.91 O
+ATOM 1662 N ASN A 227 31.100 4.337 22.454 1.00 0.90 N
+ATOM 1663 CA ASN A 227 32.124 3.763 21.599 1.00 0.90 C
+ATOM 1664 C ASN A 227 32.932 4.818 20.862 1.00 0.90 C
+ATOM 1665 O ASN A 227 34.159 4.813 20.903 1.00 0.90 O
+ATOM 1666 CB ASN A 227 31.507 2.824 20.534 1.00 0.90 C
+ATOM 1667 CG ASN A 227 30.756 1.618 21.094 1.00 0.90 C
+ATOM 1668 OD1 ASN A 227 29.955 1.020 20.371 1.00 0.90 O
+ATOM 1669 ND2 ASN A 227 31.031 1.208 22.348 1.00 0.90 N
+ATOM 1670 N LYS A 228 32.246 5.801 20.251 1.00 0.85 N
+ATOM 1671 CA LYS A 228 32.884 6.910 19.573 1.00 0.85 C
+ATOM 1672 C LYS A 228 33.676 7.805 20.522 1.00 0.85 C
+ATOM 1673 O LYS A 228 34.762 8.282 20.199 1.00 0.85 O
+ATOM 1674 CB LYS A 228 31.846 7.736 18.774 1.00 0.85 C
+ATOM 1675 CG LYS A 228 31.059 6.957 17.699 1.00 0.85 C
+ATOM 1676 CD LYS A 228 31.912 6.180 16.686 1.00 0.85 C
+ATOM 1677 CE LYS A 228 32.820 7.039 15.808 1.00 0.85 C
+ATOM 1678 NZ LYS A 228 33.721 6.158 15.050 1.00 0.85 N
+ATOM 1679 N GLY A 229 33.166 8.029 21.752 1.00 0.84 N
+ATOM 1680 CA GLY A 229 33.906 8.721 22.802 1.00 0.84 C
+ATOM 1681 C GLY A 229 35.142 7.992 23.259 1.00 0.84 C
+ATOM 1682 O GLY A 229 36.179 8.600 23.498 1.00 0.84 O
+ATOM 1683 N MET A 230 35.103 6.652 23.341 1.00 0.76 N
+ATOM 1684 CA MET A 230 36.274 5.846 23.622 1.00 0.76 C
+ATOM 1685 C MET A 230 37.339 5.944 22.550 1.00 0.76 C
+ATOM 1686 O MET A 230 38.524 6.099 22.848 1.00 0.76 O
+ATOM 1687 CB MET A 230 35.910 4.354 23.825 1.00 0.76 C
+ATOM 1688 CG MET A 230 35.218 4.025 25.166 1.00 0.76 C
+ATOM 1689 SD MET A 230 36.029 4.646 26.672 1.00 0.76 S
+ATOM 1690 CE MET A 230 37.710 4.108 26.283 1.00 0.76 C
+ATOM 1691 N GLU A 231 36.945 5.906 21.267 1.00 0.81 N
+ATOM 1692 CA GLU A 231 37.871 6.125 20.176 1.00 0.81 C
+ATOM 1693 C GLU A 231 38.512 7.509 20.212 1.00 0.81 C
+ATOM 1694 O GLU A 231 39.713 7.677 20.001 1.00 0.81 O
+ATOM 1695 CB GLU A 231 37.128 6.029 18.846 1.00 0.81 C
+ATOM 1696 CG GLU A 231 36.477 4.673 18.506 1.00 0.81 C
+ATOM 1697 CD GLU A 231 35.533 4.930 17.349 1.00 0.81 C
+ATOM 1698 OE1 GLU A 231 35.812 5.867 16.550 1.00 0.81 O
+ATOM 1699 OE2 GLU A 231 34.451 4.303 17.233 1.00 0.81 O
+ATOM 1700 N HIS A 232 37.706 8.547 20.519 1.00 0.74 N
+ATOM 1701 CA HIS A 232 38.174 9.903 20.716 1.00 0.74 C
+ATOM 1702 C HIS A 232 39.153 10.055 21.870 1.00 0.74 C
+ATOM 1703 O HIS A 232 40.241 10.597 21.692 1.00 0.74 O
+ATOM 1704 CB HIS A 232 36.949 10.813 20.959 1.00 0.74 C
+ATOM 1705 CG HIS A 232 37.255 12.250 21.237 1.00 0.74 C
+ATOM 1706 ND1 HIS A 232 36.719 12.869 22.352 1.00 0.74 N
+ATOM 1707 CD2 HIS A 232 37.975 13.131 20.507 1.00 0.74 C
+ATOM 1708 CE1 HIS A 232 37.127 14.118 22.275 1.00 0.74 C
+ATOM 1709 NE2 HIS A 232 37.892 14.329 21.178 1.00 0.74 N
+ATOM 1710 N LEU A 233 38.834 9.524 23.067 1.00 0.70 N
+ATOM 1711 CA LEU A 233 39.730 9.584 24.208 1.00 0.70 C
+ATOM 1712 C LEU A 233 41.052 8.842 24.017 1.00 0.70 C
+ATOM 1713 O LEU A 233 42.111 9.364 24.367 1.00 0.70 O
+ATOM 1714 CB LEU A 233 39.049 9.054 25.489 1.00 0.70 C
+ATOM 1715 CG LEU A 233 37.846 9.873 25.999 1.00 0.70 C
+ATOM 1716 CD1 LEU A 233 37.096 9.080 27.080 1.00 0.70 C
+ATOM 1717 CD2 LEU A 233 38.253 11.252 26.538 1.00 0.70 C
+ATOM 1718 N TYR A 234 41.052 7.615 23.439 1.00 0.71 N
+ATOM 1719 CA TYR A 234 42.293 6.896 23.171 1.00 0.71 C
+ATOM 1720 C TYR A 234 43.179 7.612 22.158 1.00 0.71 C
+ATOM 1721 O TYR A 234 44.378 7.789 22.376 1.00 0.71 O
+ATOM 1722 CB TYR A 234 42.045 5.437 22.681 1.00 0.71 C
+ATOM 1723 CG TYR A 234 41.796 4.443 23.795 1.00 0.71 C
+ATOM 1724 CD1 TYR A 234 42.737 4.268 24.827 1.00 0.71 C
+ATOM 1725 CD2 TYR A 234 40.680 3.585 23.757 1.00 0.71 C
+ATOM 1726 CE1 TYR A 234 42.557 3.279 25.805 1.00 0.71 C
+ATOM 1727 CE2 TYR A 234 40.501 2.591 24.732 1.00 0.71 C
+ATOM 1728 CZ TYR A 234 41.441 2.441 25.754 1.00 0.71 C
+ATOM 1729 OH TYR A 234 41.289 1.428 26.716 1.00 0.71 O
+ATOM 1730 N SER A 235 42.600 8.101 21.046 1.00 0.71 N
+ATOM 1731 CA SER A 235 43.324 8.844 20.021 1.00 0.71 C
+ATOM 1732 C SER A 235 43.897 10.154 20.510 1.00 0.71 C
+ATOM 1733 O SER A 235 44.976 10.565 20.089 1.00 0.71 O
+ATOM 1734 CB SER A 235 42.453 9.095 18.775 1.00 0.71 C
+ATOM 1735 OG SER A 235 42.244 7.859 18.093 1.00 0.71 O
+ATOM 1736 N MET A 236 43.212 10.815 21.463 1.00 0.62 N
+ATOM 1737 CA MET A 236 43.656 12.044 22.092 1.00 0.62 C
+ATOM 1738 C MET A 236 44.937 11.885 22.910 1.00 0.62 C
+ATOM 1739 O MET A 236 45.655 12.851 23.153 1.00 0.62 O
+ATOM 1740 CB MET A 236 42.522 12.564 23.008 1.00 0.62 C
+ATOM 1741 CG MET A 236 42.720 13.989 23.559 1.00 0.62 C
+ATOM 1742 SD MET A 236 41.505 14.481 24.821 1.00 0.62 S
+ATOM 1743 CE MET A 236 39.976 14.252 23.883 1.00 0.62 C
+ATOM 1744 N LYS A 237 45.238 10.639 23.349 1.00 0.60 N
+ATOM 1745 CA LYS A 237 46.413 10.264 24.123 1.00 0.60 C
+ATOM 1746 C LYS A 237 46.217 10.577 25.595 1.00 0.60 C
+ATOM 1747 O LYS A 237 47.171 10.769 26.347 1.00 0.60 O
+ATOM 1748 CB LYS A 237 47.775 10.844 23.634 1.00 0.60 C
+ATOM 1749 CG LYS A 237 48.099 10.639 22.146 1.00 0.60 C
+ATOM 1750 CD LYS A 237 48.573 9.217 21.812 1.00 0.60 C
+ATOM 1751 CE LYS A 237 48.966 9.073 20.340 1.00 0.60 C
+ATOM 1752 NZ LYS A 237 49.634 7.772 20.106 1.00 0.60 N
+ATOM 1753 N SER A 238 44.950 10.640 26.046 1.00 0.57 N
+ATOM 1754 CA SER A 238 44.599 11.032 27.399 1.00 0.57 C
+ATOM 1755 C SER A 238 45.177 10.148 28.484 1.00 0.57 C
+ATOM 1756 O SER A 238 45.319 8.935 28.359 1.00 0.57 O
+ATOM 1757 CB SER A 238 43.071 11.120 27.621 1.00 0.57 C
+ATOM 1758 OG SER A 238 42.520 12.146 26.804 1.00 0.57 O
+ATOM 1759 N LYS A 239 45.541 10.757 29.621 1.00 0.53 N
+ATOM 1760 CA LYS A 239 46.073 10.040 30.757 1.00 0.53 C
+ATOM 1761 C LYS A 239 44.972 9.269 31.466 1.00 0.53 C
+ATOM 1762 O LYS A 239 43.972 9.856 31.863 1.00 0.53 O
+ATOM 1763 CB LYS A 239 46.748 11.020 31.747 1.00 0.53 C
+ATOM 1764 CG LYS A 239 47.798 11.944 31.105 1.00 0.53 C
+ATOM 1765 CD LYS A 239 48.351 12.961 32.118 1.00 0.53 C
+ATOM 1766 CE LYS A 239 49.290 13.995 31.489 1.00 0.53 C
+ATOM 1767 NZ LYS A 239 49.744 14.964 32.514 1.00 0.53 N
+ATOM 1768 N ASN A 240 45.137 7.934 31.620 1.00 0.59 N
+ATOM 1769 CA ASN A 240 44.164 7.073 32.275 1.00 0.59 C
+ATOM 1770 C ASN A 240 42.805 7.037 31.567 1.00 0.59 C
+ATOM 1771 O ASN A 240 41.759 7.266 32.164 1.00 0.59 O
+ATOM 1772 CB ASN A 240 44.068 7.443 33.780 1.00 0.59 C
+ATOM 1773 CG ASN A 240 43.608 6.292 34.661 1.00 0.59 C
+ATOM 1774 OD1 ASN A 240 43.797 5.108 34.357 1.00 0.59 O
+ATOM 1775 ND2 ASN A 240 43.047 6.640 35.840 1.00 0.59 N
+ATOM 1776 N VAL A 241 42.811 6.734 30.244 1.00 0.64 N
+ATOM 1777 CA VAL A 241 41.637 6.756 29.372 1.00 0.64 C
+ATOM 1778 C VAL A 241 40.492 5.900 29.873 1.00 0.64 C
+ATOM 1779 O VAL A 241 39.328 6.297 29.846 1.00 0.64 O
+ATOM 1780 CB VAL A 241 41.977 6.251 27.963 1.00 0.64 C
+ATOM 1781 CG1 VAL A 241 40.741 6.296 27.047 1.00 0.64 C
+ATOM 1782 CG2 VAL A 241 43.100 7.084 27.337 1.00 0.64 C
+ATOM 1783 N VAL A 242 40.812 4.696 30.361 1.00 0.70 N
+ATOM 1784 CA VAL A 242 39.845 3.800 30.936 1.00 0.70 C
+ATOM 1785 C VAL A 242 40.251 3.648 32.382 1.00 0.70 C
+ATOM 1786 O VAL A 242 41.452 3.540 32.648 1.00 0.70 O
+ATOM 1787 CB VAL A 242 39.795 2.426 30.264 1.00 0.70 C
+ATOM 1788 CG1 VAL A 242 39.153 2.569 28.879 1.00 0.70 C
+ATOM 1789 CG2 VAL A 242 41.195 1.796 30.128 1.00 0.70 C
+ATOM 1790 N PRO A 243 39.369 3.635 33.377 1.00 0.75 N
+ATOM 1791 CA PRO A 243 39.721 2.996 34.635 1.00 0.75 C
+ATOM 1792 C PRO A 243 40.154 1.542 34.427 1.00 0.75 C
+ATOM 1793 O PRO A 243 39.347 0.704 34.033 1.00 0.75 O
+ATOM 1794 CB PRO A 243 38.442 3.172 35.464 1.00 0.75 C
+ATOM 1795 CG PRO A 243 37.310 3.076 34.438 1.00 0.75 C
+ATOM 1796 CD PRO A 243 37.916 3.728 33.197 1.00 0.75 C
+ATOM 1797 N LEU A 244 41.434 1.228 34.700 1.00 0.71 N
+ATOM 1798 CA LEU A 244 42.013 -0.095 34.552 1.00 0.71 C
+ATOM 1799 C LEU A 244 41.335 -1.148 35.424 1.00 0.71 C
+ATOM 1800 O LEU A 244 40.768 -0.808 36.466 1.00 0.71 O
+ATOM 1801 CB LEU A 244 43.529 -0.061 34.874 1.00 0.71 C
+ATOM 1802 CG LEU A 244 44.390 0.808 33.930 1.00 0.71 C
+ATOM 1803 CD1 LEU A 244 45.829 0.893 34.463 1.00 0.71 C
+ATOM 1804 CD2 LEU A 244 44.402 0.261 32.495 1.00 0.71 C
+ATOM 1805 N SER A 245 41.400 -2.454 35.047 1.00 0.78 N
+ATOM 1806 CA SER A 245 40.848 -3.577 35.810 1.00 0.78 C
+ATOM 1807 C SER A 245 41.150 -3.493 37.297 1.00 0.78 C
+ATOM 1808 O SER A 245 40.252 -3.457 38.136 1.00 0.78 O
+ATOM 1809 CB SER A 245 41.377 -4.961 35.311 1.00 0.78 C
+ATOM 1810 OG SER A 245 41.324 -5.085 33.906 1.00 0.78 O
+ATOM 1811 N ASP A 246 42.441 -3.351 37.645 1.00 0.75 N
+ATOM 1812 CA ASP A 246 42.948 -3.232 38.995 1.00 0.75 C
+ATOM 1813 C ASP A 246 42.446 -2.000 39.747 1.00 0.75 C
+ATOM 1814 O ASP A 246 42.142 -2.056 40.935 1.00 0.75 O
+ATOM 1815 CB ASP A 246 44.493 -3.234 38.959 1.00 0.75 C
+ATOM 1816 CG ASP A 246 45.011 -4.482 38.257 1.00 0.75 C
+ATOM 1817 OD1 ASP A 246 44.430 -5.574 38.469 1.00 0.75 O
+ATOM 1818 OD2 ASP A 246 45.969 -4.325 37.459 1.00 0.75 O
+ATOM 1819 N LEU A 247 42.314 -0.842 39.059 1.00 0.69 N
+ATOM 1820 CA LEU A 247 41.765 0.368 39.654 1.00 0.69 C
+ATOM 1821 C LEU A 247 40.317 0.195 40.066 1.00 0.69 C
+ATOM 1822 O LEU A 247 39.939 0.489 41.196 1.00 0.69 O
+ATOM 1823 CB LEU A 247 41.873 1.569 38.677 1.00 0.69 C
+ATOM 1824 CG LEU A 247 41.267 2.902 39.176 1.00 0.69 C
+ATOM 1825 CD1 LEU A 247 41.928 3.396 40.469 1.00 0.69 C
+ATOM 1826 CD2 LEU A 247 41.371 3.992 38.102 1.00 0.69 C
+ATOM 1827 N LEU A 248 39.473 -0.360 39.176 1.00 0.74 N
+ATOM 1828 CA LEU A 248 38.100 -0.674 39.518 1.00 0.74 C
+ATOM 1829 C LEU A 248 37.993 -1.728 40.606 1.00 0.74 C
+ATOM 1830 O LEU A 248 37.177 -1.606 41.516 1.00 0.74 O
+ATOM 1831 CB LEU A 248 37.302 -1.129 38.280 1.00 0.74 C
+ATOM 1832 CG LEU A 248 37.104 -0.049 37.200 1.00 0.74 C
+ATOM 1833 CD1 LEU A 248 36.452 -0.675 35.963 1.00 0.74 C
+ATOM 1834 CD2 LEU A 248 36.241 1.119 37.703 1.00 0.74 C
+ATOM 1835 N LEU A 249 38.848 -2.769 40.562 1.00 0.76 N
+ATOM 1836 CA LEU A 249 38.894 -3.822 41.559 1.00 0.76 C
+ATOM 1837 C LEU A 249 39.189 -3.306 42.962 1.00 0.76 C
+ATOM 1838 O LEU A 249 38.461 -3.607 43.901 1.00 0.76 O
+ATOM 1839 CB LEU A 249 39.954 -4.854 41.107 1.00 0.76 C
+ATOM 1840 CG LEU A 249 39.982 -6.203 41.843 1.00 0.76 C
+ATOM 1841 CD1 LEU A 249 38.735 -7.043 41.538 1.00 0.76 C
+ATOM 1842 CD2 LEU A 249 41.240 -6.973 41.418 1.00 0.76 C
+ATOM 1843 N GLU A 250 40.197 -2.425 43.112 1.00 0.70 N
+ATOM 1844 CA GLU A 250 40.517 -1.775 44.372 1.00 0.70 C
+ATOM 1845 C GLU A 250 39.408 -0.864 44.883 1.00 0.70 C
+ATOM 1846 O GLU A 250 39.064 -0.838 46.062 1.00 0.70 O
+ATOM 1847 CB GLU A 250 41.810 -0.955 44.194 1.00 0.70 C
+ATOM 1848 CG GLU A 250 42.415 -0.400 45.509 1.00 0.70 C
+ATOM 1849 CD GLU A 250 43.080 -1.460 46.393 1.00 0.70 C
+ATOM 1850 OE1 GLU A 250 43.372 -2.574 45.892 1.00 0.70 O
+ATOM 1851 OE2 GLU A 250 43.353 -1.118 47.573 1.00 0.70 O
+ATOM 1852 N MET A 251 38.754 -0.098 43.981 1.00 0.70 N
+ATOM 1853 CA MET A 251 37.629 0.741 44.356 1.00 0.70 C
+ATOM 1854 C MET A 251 36.422 -0.041 44.868 1.00 0.70 C
+ATOM 1855 O MET A 251 35.645 0.463 45.675 1.00 0.70 O
+ATOM 1856 CB MET A 251 37.181 1.664 43.200 1.00 0.70 C
+ATOM 1857 CG MET A 251 38.230 2.713 42.790 1.00 0.70 C
+ATOM 1858 SD MET A 251 37.785 3.629 41.285 1.00 0.70 S
+ATOM 1859 CE MET A 251 36.651 4.769 42.121 1.00 0.70 C
+ATOM 1860 N LEU A 252 36.249 -1.312 44.450 1.00 0.77 N
+ATOM 1861 CA LEU A 252 35.189 -2.160 44.955 1.00 0.77 C
+ATOM 1862 C LEU A 252 35.401 -2.632 46.388 1.00 0.77 C
+ATOM 1863 O LEU A 252 34.433 -3.052 47.014 1.00 0.77 O
+ATOM 1864 CB LEU A 252 34.971 -3.398 44.057 1.00 0.77 C
+ATOM 1865 CG LEU A 252 34.300 -3.120 42.699 1.00 0.77 C
+ATOM 1866 CD1 LEU A 252 34.319 -4.406 41.870 1.00 0.77 C
+ATOM 1867 CD2 LEU A 252 32.854 -2.627 42.851 1.00 0.77 C
+ATOM 1868 N ASP A 253 36.621 -2.527 46.948 1.00 0.67 N
+ATOM 1869 CA ASP A 253 36.923 -2.949 48.308 1.00 0.67 C
+ATOM 1870 C ASP A 253 37.021 -1.758 49.282 1.00 0.67 C
+ATOM 1871 O ASP A 253 37.370 -1.904 50.453 1.00 0.67 O
+ATOM 1872 CB ASP A 253 38.238 -3.783 48.320 1.00 0.67 C
+ATOM 1873 CG ASP A 253 38.031 -5.219 47.840 1.00 0.67 C
+ATOM 1874 OD1 ASP A 253 36.866 -5.629 47.595 1.00 0.67 O
+ATOM 1875 OD2 ASP A 253 39.053 -5.950 47.759 1.00 0.67 O
+ATOM 1876 N ALA A 254 36.681 -0.526 48.836 1.00 0.55 N
+ATOM 1877 CA ALA A 254 36.648 0.677 49.658 1.00 0.55 C
+ATOM 1878 C ALA A 254 35.503 0.708 50.682 1.00 0.55 C
+ATOM 1879 O ALA A 254 35.603 1.315 51.746 1.00 0.55 O
+ATOM 1880 CB ALA A 254 36.492 1.891 48.719 1.00 0.55 C
+ATOM 1881 N HIS A 255 34.389 0.058 50.312 1.00 0.44 N
+ATOM 1882 CA HIS A 255 33.166 -0.214 51.048 1.00 0.44 C
+ATOM 1883 C HIS A 255 32.545 -1.337 50.197 1.00 0.44 C
+ATOM 1884 O HIS A 255 33.309 -2.292 49.882 1.00 0.44 O
+ATOM 1885 CB HIS A 255 32.182 0.981 51.120 1.00 0.44 C
+ATOM 1886 CG HIS A 255 31.231 1.045 52.287 1.00 0.44 C
+ATOM 1887 ND1 HIS A 255 30.814 -0.043 53.043 1.00 0.44 N
+ATOM 1888 CD2 HIS A 255 30.620 2.169 52.730 1.00 0.44 C
+ATOM 1889 CE1 HIS A 255 29.967 0.450 53.921 1.00 0.44 C
+ATOM 1890 NE2 HIS A 255 29.811 1.789 53.778 1.00 0.44 N
+TER 1891 HIS A 255
+ATOM 1892 N LEU B 18 -0.815 -1.268 7.888 1.00 0.85 N
+ATOM 1893 CA LEU B 18 -0.774 -2.759 7.965 1.00 0.85 C
+ATOM 1894 C LEU B 18 -1.021 -3.254 9.370 1.00 0.85 C
+ATOM 1895 O LEU B 18 -0.710 -2.547 10.330 1.00 0.85 O
+ATOM 1896 CB LEU B 18 0.616 -3.239 7.476 1.00 0.85 C
+ATOM 1897 CG LEU B 18 0.946 -2.918 6.003 1.00 0.85 C
+ATOM 1898 CD1 LEU B 18 2.325 -3.475 5.627 1.00 0.85 C
+ATOM 1899 CD2 LEU B 18 -0.101 -3.482 5.035 1.00 0.85 C
+ATOM 1900 N THR B 19 -1.600 -4.455 9.532 1.00 0.86 N
+ATOM 1901 CA THR B 19 -1.693 -5.120 10.818 1.00 0.86 C
+ATOM 1902 C THR B 19 -0.377 -5.796 11.137 1.00 0.86 C
+ATOM 1903 O THR B 19 0.551 -5.807 10.327 1.00 0.86 O
+ATOM 1904 CB THR B 19 -2.804 -6.151 10.907 1.00 0.86 C
+ATOM 1905 OG1 THR B 19 -2.747 -7.026 9.796 1.00 0.86 O
+ATOM 1906 CG2 THR B 19 -4.174 -5.477 10.823 1.00 0.86 C
+ATOM 1907 N ALA B 20 -0.237 -6.343 12.360 1.00 0.87 N
+ATOM 1908 CA ALA B 20 0.990 -6.962 12.817 1.00 0.87 C
+ATOM 1909 C ALA B 20 1.415 -8.176 11.999 1.00 0.87 C
+ATOM 1910 O ALA B 20 2.584 -8.359 11.657 1.00 0.87 O
+ATOM 1911 CB ALA B 20 0.830 -7.360 14.295 1.00 0.87 C
+ATOM 1912 N ASP B 21 0.442 -9.019 11.628 1.00 0.88 N
+ATOM 1913 CA ASP B 21 0.595 -10.165 10.771 1.00 0.88 C
+ATOM 1914 C ASP B 21 1.084 -9.796 9.370 1.00 0.88 C
+ATOM 1915 O ASP B 21 2.001 -10.402 8.823 1.00 0.88 O
+ATOM 1916 CB ASP B 21 -0.749 -10.933 10.742 1.00 0.88 C
+ATOM 1917 CG ASP B 21 -1.909 -10.032 10.369 1.00 0.88 C
+ATOM 1918 OD1 ASP B 21 -2.241 -9.147 11.202 1.00 0.88 O
+ATOM 1919 OD2 ASP B 21 -2.442 -10.170 9.247 1.00 0.88 O
+ATOM 1920 N GLN B 22 0.525 -8.730 8.779 1.00 0.84 N
+ATOM 1921 CA GLN B 22 0.941 -8.221 7.492 1.00 0.84 C
+ATOM 1922 C GLN B 22 2.380 -7.734 7.476 1.00 0.84 C
+ATOM 1923 O GLN B 22 3.122 -7.973 6.524 1.00 0.84 O
+ATOM 1924 CB GLN B 22 0.000 -7.083 7.047 1.00 0.84 C
+ATOM 1925 CG GLN B 22 -1.433 -7.576 6.754 1.00 0.84 C
+ATOM 1926 CD GLN B 22 -2.360 -6.436 6.338 1.00 0.84 C
+ATOM 1927 OE1 GLN B 22 -2.272 -5.298 6.810 1.00 0.84 O
+ATOM 1928 NE2 GLN B 22 -3.283 -6.741 5.396 1.00 0.84 N
+ATOM 1929 N MET B 23 2.825 -7.048 8.547 1.00 0.88 N
+ATOM 1930 CA MET B 23 4.210 -6.640 8.678 1.00 0.88 C
+ATOM 1931 C MET B 23 5.187 -7.793 8.798 1.00 0.88 C
+ATOM 1932 O MET B 23 6.203 -7.818 8.106 1.00 0.88 O
+ATOM 1933 CB MET B 23 4.396 -5.692 9.879 1.00 0.88 C
+ATOM 1934 CG MET B 23 3.659 -4.356 9.693 1.00 0.88 C
+ATOM 1935 SD MET B 23 3.790 -3.254 11.119 1.00 0.88 S
+ATOM 1936 CE MET B 23 5.497 -2.719 10.815 1.00 0.88 C
+ATOM 1937 N VAL B 24 4.900 -8.803 9.643 1.00 0.90 N
+ATOM 1938 CA VAL B 24 5.755 -9.973 9.743 1.00 0.90 C
+ATOM 1939 C VAL B 24 5.788 -10.788 8.462 1.00 0.90 C
+ATOM 1940 O VAL B 24 6.857 -11.193 8.018 1.00 0.90 O
+ATOM 1941 CB VAL B 24 5.457 -10.814 10.974 1.00 0.90 C
+ATOM 1942 CG1 VAL B 24 4.062 -11.441 10.906 1.00 0.90 C
+ATOM 1943 CG2 VAL B 24 6.531 -11.895 11.156 1.00 0.90 C
+ATOM 1944 N SER B 25 4.640 -10.986 7.784 1.00 0.88 N
+ATOM 1945 CA SER B 25 4.595 -11.679 6.503 1.00 0.88 C
+ATOM 1946 C SER B 25 5.421 -10.998 5.434 1.00 0.88 C
+ATOM 1947 O SER B 25 6.237 -11.632 4.776 1.00 0.88 O
+ATOM 1948 CB SER B 25 3.151 -11.802 5.974 1.00 0.88 C
+ATOM 1949 OG SER B 25 2.384 -12.645 6.836 1.00 0.88 O
+ATOM 1950 N ALA B 26 5.313 -9.658 5.299 1.00 0.92 N
+ATOM 1951 CA ALA B 26 6.112 -8.908 4.353 1.00 0.92 C
+ATOM 1952 C ALA B 26 7.606 -9.014 4.606 1.00 0.92 C
+ATOM 1953 O ALA B 26 8.401 -9.162 3.684 1.00 0.92 O
+ATOM 1954 CB ALA B 26 5.690 -7.427 4.383 1.00 0.92 C
+ATOM 1955 N LEU B 27 8.023 -8.970 5.884 1.00 0.91 N
+ATOM 1956 CA LEU B 27 9.400 -9.196 6.259 1.00 0.91 C
+ATOM 1957 C LEU B 27 9.891 -10.620 5.996 1.00 0.91 C
+ATOM 1958 O LEU B 27 10.993 -10.803 5.486 1.00 0.91 O
+ATOM 1959 CB LEU B 27 9.622 -8.798 7.732 1.00 0.91 C
+ATOM 1960 CG LEU B 27 9.456 -7.293 8.031 1.00 0.91 C
+ATOM 1961 CD1 LEU B 27 9.479 -7.055 9.547 1.00 0.91 C
+ATOM 1962 CD2 LEU B 27 10.547 -6.445 7.363 1.00 0.91 C
+ATOM 1963 N LEU B 28 9.088 -11.666 6.292 1.00 0.90 N
+ATOM 1964 CA LEU B 28 9.444 -13.048 5.994 1.00 0.90 C
+ATOM 1965 C LEU B 28 9.599 -13.319 4.503 1.00 0.90 C
+ATOM 1966 O LEU B 28 10.587 -13.910 4.069 1.00 0.90 O
+ATOM 1967 CB LEU B 28 8.403 -14.045 6.555 1.00 0.90 C
+ATOM 1968 CG LEU B 28 8.324 -14.149 8.092 1.00 0.90 C
+ATOM 1969 CD1 LEU B 28 7.131 -15.037 8.472 1.00 0.90 C
+ATOM 1970 CD2 LEU B 28 9.611 -14.694 8.729 1.00 0.90 C
+ATOM 1971 N ASP B 29 8.664 -12.810 3.674 1.00 0.90 N
+ATOM 1972 CA ASP B 29 8.693 -12.950 2.230 1.00 0.90 C
+ATOM 1973 C ASP B 29 9.831 -12.148 1.615 1.00 0.90 C
+ATOM 1974 O ASP B 29 10.256 -12.368 0.482 1.00 0.90 O
+ATOM 1975 CB ASP B 29 7.370 -12.424 1.620 1.00 0.90 C
+ATOM 1976 CG ASP B 29 6.178 -13.325 1.915 1.00 0.90 C
+ATOM 1977 OD1 ASP B 29 6.372 -14.467 2.400 1.00 0.90 O
+ATOM 1978 OD2 ASP B 29 5.044 -12.866 1.617 1.00 0.90 O
+ATOM 1979 N ALA B 30 10.381 -11.184 2.375 1.00 0.93 N
+ATOM 1980 CA ALA B 30 11.434 -10.334 1.905 1.00 0.93 C
+ATOM 1981 C ALA B 30 12.823 -10.841 2.211 1.00 0.93 C
+ATOM 1982 O ALA B 30 13.789 -10.212 1.765 1.00 0.93 O
+ATOM 1983 CB ALA B 30 11.292 -8.937 2.540 1.00 0.93 C
+ATOM 1984 N GLU B 31 12.965 -11.973 2.926 1.00 0.89 N
+ATOM 1985 CA GLU B 31 14.253 -12.480 3.354 1.00 0.89 C
+ATOM 1986 C GLU B 31 15.259 -12.724 2.221 1.00 0.89 C
+ATOM 1987 O GLU B 31 14.889 -13.206 1.148 1.00 0.89 O
+ATOM 1988 CB GLU B 31 14.097 -13.760 4.210 1.00 0.89 C
+ATOM 1989 CG GLU B 31 13.859 -13.455 5.712 1.00 0.89 C
+ATOM 1990 CD GLU B 31 14.969 -12.608 6.318 1.00 0.89 C
+ATOM 1991 OE1 GLU B 31 16.107 -13.092 6.552 1.00 0.89 O
+ATOM 1992 OE2 GLU B 31 14.765 -11.382 6.533 1.00 0.89 O
+ATOM 1993 N PRO B 32 16.535 -12.366 2.374 1.00 0.92 N
+ATOM 1994 CA PRO B 32 17.506 -12.489 1.302 1.00 0.92 C
+ATOM 1995 C PRO B 32 17.976 -13.929 1.135 1.00 0.92 C
+ATOM 1996 O PRO B 32 17.952 -14.678 2.116 1.00 0.92 O
+ATOM 1997 CB PRO B 32 18.649 -11.572 1.765 1.00 0.92 C
+ATOM 1998 CG PRO B 32 18.613 -11.669 3.291 1.00 0.92 C
+ATOM 1999 CD PRO B 32 17.118 -11.778 3.583 1.00 0.92 C
+ATOM 2000 N PRO B 33 18.377 -14.377 -0.053 1.00 0.93 N
+ATOM 2001 CA PRO B 33 18.942 -15.706 -0.225 1.00 0.93 C
+ATOM 2002 C PRO B 33 20.245 -15.896 0.536 1.00 0.93 C
+ATOM 2003 O PRO B 33 20.984 -14.943 0.781 1.00 0.93 O
+ATOM 2004 CB PRO B 33 19.167 -15.802 -1.741 1.00 0.93 C
+ATOM 2005 CG PRO B 33 19.497 -14.365 -2.146 1.00 0.93 C
+ATOM 2006 CD PRO B 33 18.580 -13.540 -1.241 1.00 0.93 C
+ATOM 2007 N ILE B 34 20.557 -17.146 0.916 1.00 0.88 N
+ATOM 2008 CA ILE B 34 21.806 -17.464 1.581 1.00 0.88 C
+ATOM 2009 C ILE B 34 22.870 -17.688 0.524 1.00 0.88 C
+ATOM 2010 O ILE B 34 22.772 -18.587 -0.310 1.00 0.88 O
+ATOM 2011 CB ILE B 34 21.680 -18.683 2.490 1.00 0.88 C
+ATOM 2012 CG1 ILE B 34 20.675 -18.395 3.629 1.00 0.88 C
+ATOM 2013 CG2 ILE B 34 23.060 -19.070 3.067 1.00 0.88 C
+ATOM 2014 CD1 ILE B 34 20.292 -19.642 4.434 1.00 0.88 C
+ATOM 2015 N LEU B 35 23.920 -16.848 0.515 1.00 0.88 N
+ATOM 2016 CA LEU B 35 24.936 -16.909 -0.512 1.00 0.88 C
+ATOM 2017 C LEU B 35 26.106 -17.798 -0.126 1.00 0.88 C
+ATOM 2018 O LEU B 35 26.397 -18.036 1.044 1.00 0.88 O
+ATOM 2019 CB LEU B 35 25.475 -15.506 -0.868 1.00 0.88 C
+ATOM 2020 CG LEU B 35 24.403 -14.477 -1.274 1.00 0.88 C
+ATOM 2021 CD1 LEU B 35 25.098 -13.181 -1.703 1.00 0.88 C
+ATOM 2022 CD2 LEU B 35 23.482 -14.979 -2.396 1.00 0.88 C
+ATOM 2023 N TYR B 36 26.823 -18.316 -1.140 1.00 0.86 N
+ATOM 2024 CA TYR B 36 28.024 -19.106 -0.958 1.00 0.86 C
+ATOM 2025 C TYR B 36 29.252 -18.209 -1.050 1.00 0.86 C
+ATOM 2026 O TYR B 36 29.253 -17.180 -1.726 1.00 0.86 O
+ATOM 2027 CB TYR B 36 28.119 -20.245 -2.009 1.00 0.86 C
+ATOM 2028 CG TYR B 36 27.209 -21.394 -1.650 1.00 0.86 C
+ATOM 2029 CD1 TYR B 36 25.811 -21.285 -1.751 1.00 0.86 C
+ATOM 2030 CD2 TYR B 36 27.755 -22.613 -1.212 1.00 0.86 C
+ATOM 2031 CE1 TYR B 36 24.980 -22.351 -1.376 1.00 0.86 C
+ATOM 2032 CE2 TYR B 36 26.929 -23.682 -0.843 1.00 0.86 C
+ATOM 2033 CZ TYR B 36 25.541 -23.543 -0.912 1.00 0.86 C
+ATOM 2034 OH TYR B 36 24.714 -24.608 -0.514 1.00 0.86 O
+ATOM 2035 N SER B 37 30.354 -18.570 -0.367 1.00 0.84 N
+ATOM 2036 CA SER B 37 31.543 -17.725 -0.294 1.00 0.84 C
+ATOM 2037 C SER B 37 32.509 -17.929 -1.438 1.00 0.84 C
+ATOM 2038 O SER B 37 33.452 -17.166 -1.594 1.00 0.84 O
+ATOM 2039 CB SER B 37 32.366 -18.015 0.985 1.00 0.84 C
+ATOM 2040 OG SER B 37 32.797 -19.380 1.028 1.00 0.84 O
+ATOM 2041 N GLU B 38 32.285 -19.000 -2.224 1.00 0.76 N
+ATOM 2042 CA GLU B 38 33.166 -19.466 -3.281 1.00 0.76 C
+ATOM 2043 C GLU B 38 34.490 -20.022 -2.749 1.00 0.76 C
+ATOM 2044 O GLU B 38 35.505 -20.069 -3.436 1.00 0.76 O
+ATOM 2045 CB GLU B 38 33.326 -18.433 -4.424 1.00 0.76 C
+ATOM 2046 CG GLU B 38 31.961 -17.879 -4.915 1.00 0.76 C
+ATOM 2047 CD GLU B 38 32.082 -16.692 -5.870 1.00 0.76 C
+ATOM 2048 OE1 GLU B 38 32.625 -16.864 -6.985 1.00 0.76 O
+ATOM 2049 OE2 GLU B 38 31.577 -15.604 -5.484 1.00 0.76 O
+ATOM 2050 N TYR B 39 34.481 -20.528 -1.490 1.00 0.71 N
+ATOM 2051 CA TYR B 39 35.555 -21.313 -0.901 1.00 0.71 C
+ATOM 2052 C TYR B 39 35.985 -22.508 -1.758 1.00 0.71 C
+ATOM 2053 O TYR B 39 35.172 -23.345 -2.151 1.00 0.71 O
+ATOM 2054 CB TYR B 39 35.145 -21.787 0.533 1.00 0.71 C
+ATOM 2055 CG TYR B 39 36.120 -22.725 1.211 1.00 0.71 C
+ATOM 2056 CD1 TYR B 39 37.373 -22.272 1.649 1.00 0.71 C
+ATOM 2057 CD2 TYR B 39 35.777 -24.074 1.419 1.00 0.71 C
+ATOM 2058 CE1 TYR B 39 38.267 -23.152 2.277 1.00 0.71 C
+ATOM 2059 CE2 TYR B 39 36.672 -24.953 2.045 1.00 0.71 C
+ATOM 2060 CZ TYR B 39 37.920 -24.491 2.467 1.00 0.71 C
+ATOM 2061 OH TYR B 39 38.831 -25.370 3.081 1.00 0.71 O
+ATOM 2062 N ASP B 40 37.304 -22.595 -2.004 1.00 0.74 N
+ATOM 2063 CA ASP B 40 37.968 -23.669 -2.706 1.00 0.74 C
+ATOM 2064 C ASP B 40 38.898 -24.363 -1.719 1.00 0.74 C
+ATOM 2065 O ASP B 40 39.823 -23.712 -1.220 1.00 0.74 O
+ATOM 2066 CB ASP B 40 38.798 -23.066 -3.864 1.00 0.74 C
+ATOM 2067 CG ASP B 40 39.658 -24.039 -4.668 1.00 0.74 C
+ATOM 2068 OD1 ASP B 40 39.838 -25.217 -4.269 1.00 0.74 O
+ATOM 2069 OD2 ASP B 40 40.261 -23.550 -5.650 1.00 0.74 O
+ATOM 2070 N PRO B 41 38.747 -25.650 -1.418 1.00 0.68 N
+ATOM 2071 CA PRO B 41 39.630 -26.325 -0.485 1.00 0.68 C
+ATOM 2072 C PRO B 41 41.028 -26.545 -1.012 1.00 0.68 C
+ATOM 2073 O PRO B 41 41.884 -26.958 -0.236 1.00 0.68 O
+ATOM 2074 CB PRO B 41 38.957 -27.685 -0.230 1.00 0.68 C
+ATOM 2075 CG PRO B 41 37.495 -27.493 -0.637 1.00 0.68 C
+ATOM 2076 CD PRO B 41 37.565 -26.448 -1.746 1.00 0.68 C
+ATOM 2077 N THR B 42 41.288 -26.344 -2.315 1.00 0.65 N
+ATOM 2078 CA THR B 42 42.610 -26.588 -2.863 1.00 0.65 C
+ATOM 2079 C THR B 42 43.533 -25.391 -2.708 1.00 0.65 C
+ATOM 2080 O THR B 42 44.757 -25.506 -2.725 1.00 0.65 O
+ATOM 2081 CB THR B 42 42.572 -27.024 -4.320 1.00 0.65 C
+ATOM 2082 OG1 THR B 42 42.225 -25.968 -5.170 1.00 0.65 O
+ATOM 2083 CG2 THR B 42 41.583 -28.169 -4.559 1.00 0.65 C
+ATOM 2084 N ARG B 43 42.962 -24.191 -2.510 1.00 0.61 N
+ATOM 2085 CA ARG B 43 43.708 -22.981 -2.247 1.00 0.61 C
+ATOM 2086 C ARG B 43 44.380 -22.955 -0.874 1.00 0.61 C
+ATOM 2087 O ARG B 43 43.767 -23.370 0.109 1.00 0.61 O
+ATOM 2088 CB ARG B 43 42.774 -21.757 -2.352 1.00 0.61 C
+ATOM 2089 CG ARG B 43 42.182 -21.560 -3.759 1.00 0.61 C
+ATOM 2090 CD ARG B 43 43.151 -21.040 -4.826 1.00 0.61 C
+ATOM 2091 NE ARG B 43 43.555 -19.637 -4.458 1.00 0.61 N
+ATOM 2092 CZ ARG B 43 42.791 -18.557 -4.675 1.00 0.61 C
+ATOM 2093 NH1 ARG B 43 41.616 -18.652 -5.289 1.00 0.61 N
+ATOM 2094 NH2 ARG B 43 43.222 -17.360 -4.277 1.00 0.61 N
+ATOM 2095 N PRO B 44 45.602 -22.444 -0.705 1.00 0.65 N
+ATOM 2096 CA PRO B 44 46.153 -22.169 0.617 1.00 0.65 C
+ATOM 2097 C PRO B 44 45.279 -21.239 1.441 1.00 0.65 C
+ATOM 2098 O PRO B 44 44.995 -20.120 1.002 1.00 0.65 O
+ATOM 2099 CB PRO B 44 47.543 -21.577 0.333 1.00 0.65 C
+ATOM 2100 CG PRO B 44 47.927 -22.180 -1.022 1.00 0.65 C
+ATOM 2101 CD PRO B 44 46.592 -22.249 -1.764 1.00 0.65 C
+ATOM 2102 N PHE B 45 44.840 -21.671 2.637 1.00 0.68 N
+ATOM 2103 CA PHE B 45 43.981 -20.887 3.505 1.00 0.68 C
+ATOM 2104 C PHE B 45 44.762 -19.865 4.320 1.00 0.68 C
+ATOM 2105 O PHE B 45 44.884 -19.940 5.541 1.00 0.68 O
+ATOM 2106 CB PHE B 45 43.117 -21.819 4.387 1.00 0.68 C
+ATOM 2107 CG PHE B 45 41.859 -21.135 4.848 1.00 0.68 C
+ATOM 2108 CD1 PHE B 45 40.793 -20.954 3.953 1.00 0.68 C
+ATOM 2109 CD2 PHE B 45 41.720 -20.686 6.171 1.00 0.68 C
+ATOM 2110 CE1 PHE B 45 39.608 -20.335 4.369 1.00 0.68 C
+ATOM 2111 CE2 PHE B 45 40.536 -20.065 6.591 1.00 0.68 C
+ATOM 2112 CZ PHE B 45 39.482 -19.886 5.687 1.00 0.68 C
+ATOM 2113 N SER B 46 45.327 -18.872 3.620 1.00 0.71 N
+ATOM 2114 CA SER B 46 45.978 -17.728 4.207 1.00 0.71 C
+ATOM 2115 C SER B 46 44.990 -16.705 4.699 1.00 0.71 C
+ATOM 2116 O SER B 46 43.799 -16.712 4.382 1.00 0.71 O
+ATOM 2117 CB SER B 46 46.950 -17.027 3.218 1.00 0.71 C
+ATOM 2118 OG SER B 46 46.279 -16.469 2.077 1.00 0.71 O
+ATOM 2119 N GLU B 47 45.485 -15.743 5.484 1.00 0.70 N
+ATOM 2120 CA GLU B 47 44.730 -14.639 6.017 1.00 0.70 C
+ATOM 2121 C GLU B 47 44.146 -13.798 4.900 1.00 0.70 C
+ATOM 2122 O GLU B 47 42.974 -13.433 4.901 1.00 0.70 O
+ATOM 2123 CB GLU B 47 45.633 -13.742 6.905 1.00 0.70 C
+ATOM 2124 CG GLU B 47 46.390 -14.485 8.040 1.00 0.70 C
+ATOM 2125 CD GLU B 47 47.632 -15.272 7.598 1.00 0.70 C
+ATOM 2126 OE1 GLU B 47 47.949 -15.269 6.376 1.00 0.70 O
+ATOM 2127 OE2 GLU B 47 48.244 -15.923 8.478 1.00 0.70 O
+ATOM 2128 N ALA B 48 44.956 -13.526 3.860 1.00 0.71 N
+ATOM 2129 CA ALA B 48 44.508 -12.850 2.669 1.00 0.71 C
+ATOM 2130 C ALA B 48 43.446 -13.597 1.874 1.00 0.71 C
+ATOM 2131 O ALA B 48 42.491 -12.988 1.393 1.00 0.71 O
+ATOM 2132 CB ALA B 48 45.720 -12.519 1.783 1.00 0.71 C
+ATOM 2133 N SER B 49 43.557 -14.936 1.718 1.00 0.73 N
+ATOM 2134 CA SER B 49 42.509 -15.693 1.053 1.00 0.73 C
+ATOM 2135 C SER B 49 41.215 -15.752 1.839 1.00 0.73 C
+ATOM 2136 O SER B 49 40.146 -15.512 1.282 1.00 0.73 O
+ATOM 2137 CB SER B 49 42.956 -17.094 0.560 1.00 0.73 C
+ATOM 2138 OG SER B 49 43.145 -18.027 1.618 1.00 0.73 O
+ATOM 2139 N MET B 50 41.274 -15.973 3.169 1.00 0.73 N
+ATOM 2140 CA MET B 50 40.103 -15.921 4.026 1.00 0.73 C
+ATOM 2141 C MET B 50 39.410 -14.570 4.007 1.00 0.73 C
+ATOM 2142 O MET B 50 38.198 -14.480 3.815 1.00 0.73 O
+ATOM 2143 CB MET B 50 40.501 -16.262 5.481 1.00 0.73 C
+ATOM 2144 CG MET B 50 39.329 -16.277 6.484 1.00 0.73 C
+ATOM 2145 SD MET B 50 39.806 -16.750 8.175 1.00 0.73 S
+ATOM 2146 CE MET B 50 40.656 -15.203 8.605 1.00 0.73 C
+ATOM 2147 N MET B 51 40.170 -13.465 4.135 1.00 0.74 N
+ATOM 2148 CA MET B 51 39.605 -12.136 4.053 1.00 0.74 C
+ATOM 2149 C MET B 51 39.020 -11.812 2.688 1.00 0.74 C
+ATOM 2150 O MET B 51 37.974 -11.179 2.594 1.00 0.74 O
+ATOM 2151 CB MET B 51 40.619 -11.043 4.461 1.00 0.74 C
+ATOM 2152 CG MET B 51 41.021 -11.032 5.954 1.00 0.74 C
+ATOM 2153 SD MET B 51 39.683 -11.153 7.171 1.00 0.74 S
+ATOM 2154 CE MET B 51 38.631 -9.801 6.581 1.00 0.74 C
+ATOM 2155 N GLY B 52 39.652 -12.260 1.580 1.00 0.79 N
+ATOM 2156 CA GLY B 52 39.091 -12.080 0.243 1.00 0.79 C
+ATOM 2157 C GLY B 52 37.771 -12.771 0.017 1.00 0.79 C
+ATOM 2158 O GLY B 52 36.883 -12.218 -0.629 1.00 0.79 O
+ATOM 2159 N LEU B 53 37.582 -13.976 0.590 1.00 0.79 N
+ATOM 2160 CA LEU B 53 36.295 -14.649 0.569 1.00 0.79 C
+ATOM 2161 C LEU B 53 35.234 -13.888 1.353 1.00 0.79 C
+ATOM 2162 O LEU B 53 34.114 -13.688 0.886 1.00 0.79 O
+ATOM 2163 CB LEU B 53 36.396 -16.078 1.156 1.00 0.79 C
+ATOM 2164 CG LEU B 53 37.301 -17.065 0.390 1.00 0.79 C
+ATOM 2165 CD1 LEU B 53 37.366 -18.389 1.161 1.00 0.79 C
+ATOM 2166 CD2 LEU B 53 36.829 -17.325 -1.045 1.00 0.79 C
+ATOM 2167 N LEU B 54 35.578 -13.410 2.566 1.00 0.83 N
+ATOM 2168 CA LEU B 54 34.667 -12.658 3.409 1.00 0.83 C
+ATOM 2169 C LEU B 54 34.255 -11.318 2.818 1.00 0.83 C
+ATOM 2170 O LEU B 54 33.081 -10.958 2.833 1.00 0.83 O
+ATOM 2171 CB LEU B 54 35.269 -12.456 4.817 1.00 0.83 C
+ATOM 2172 CG LEU B 54 35.481 -13.762 5.609 1.00 0.83 C
+ATOM 2173 CD1 LEU B 54 36.288 -13.486 6.884 1.00 0.83 C
+ATOM 2174 CD2 LEU B 54 34.156 -14.435 5.982 1.00 0.83 C
+ATOM 2175 N THR B 55 35.212 -10.567 2.240 1.00 0.79 N
+ATOM 2176 CA THR B 55 34.950 -9.303 1.553 1.00 0.79 C
+ATOM 2177 C THR B 55 34.030 -9.476 0.363 1.00 0.79 C
+ATOM 2178 O THR B 55 33.003 -8.815 0.256 1.00 0.79 O
+ATOM 2179 CB THR B 55 36.245 -8.669 1.062 1.00 0.79 C
+ATOM 2180 OG1 THR B 55 37.075 -8.332 2.166 1.00 0.79 O
+ATOM 2181 CG2 THR B 55 36.005 -7.368 0.288 1.00 0.79 C
+ATOM 2182 N ASN B 56 34.317 -10.449 -0.530 1.00 0.81 N
+ATOM 2183 CA ASN B 56 33.490 -10.699 -1.697 1.00 0.81 C
+ATOM 2184 C ASN B 56 32.082 -11.167 -1.335 1.00 0.81 C
+ATOM 2185 O ASN B 56 31.103 -10.779 -1.972 1.00 0.81 O
+ATOM 2186 CB ASN B 56 34.204 -11.695 -2.645 1.00 0.81 C
+ATOM 2187 CG ASN B 56 33.425 -11.910 -3.934 1.00 0.81 C
+ATOM 2188 OD1 ASN B 56 32.694 -12.894 -4.067 1.00 0.81 O
+ATOM 2189 ND2 ASN B 56 33.540 -10.972 -4.892 1.00 0.81 N
+ATOM 2190 N LEU B 57 31.946 -12.004 -0.286 1.00 0.88 N
+ATOM 2191 CA LEU B 57 30.651 -12.404 0.227 1.00 0.88 C
+ATOM 2192 C LEU B 57 29.820 -11.225 0.711 1.00 0.88 C
+ATOM 2193 O LEU B 57 28.659 -11.082 0.334 1.00 0.88 O
+ATOM 2194 CB LEU B 57 30.859 -13.413 1.380 1.00 0.88 C
+ATOM 2195 CG LEU B 57 29.590 -13.913 2.094 1.00 0.88 C
+ATOM 2196 CD1 LEU B 57 28.657 -14.688 1.155 1.00 0.88 C
+ATOM 2197 CD2 LEU B 57 29.980 -14.795 3.286 1.00 0.88 C
+ATOM 2198 N ALA B 58 30.426 -10.310 1.492 1.00 0.87 N
+ATOM 2199 CA ALA B 58 29.774 -9.119 1.988 1.00 0.87 C
+ATOM 2200 C ALA B 58 29.328 -8.162 0.889 1.00 0.87 C
+ATOM 2201 O ALA B 58 28.203 -7.659 0.901 1.00 0.87 O
+ATOM 2202 CB ALA B 58 30.730 -8.415 2.963 1.00 0.87 C
+ATOM 2203 N ASP B 59 30.185 -7.946 -0.128 1.00 0.80 N
+ATOM 2204 CA ASP B 59 29.874 -7.148 -1.296 1.00 0.80 C
+ATOM 2205 C ASP B 59 28.684 -7.707 -2.076 1.00 0.80 C
+ATOM 2206 O ASP B 59 27.767 -6.988 -2.476 1.00 0.80 O
+ATOM 2207 CB ASP B 59 31.107 -7.118 -2.234 1.00 0.80 C
+ATOM 2208 CG ASP B 59 32.297 -6.380 -1.633 1.00 0.80 C
+ATOM 2209 OD1 ASP B 59 32.101 -5.563 -0.701 1.00 0.80 O
+ATOM 2210 OD2 ASP B 59 33.422 -6.626 -2.146 1.00 0.80 O
+ATOM 2211 N ARG B 60 28.642 -9.041 -2.278 1.00 0.79 N
+ATOM 2212 CA ARG B 60 27.497 -9.705 -2.870 1.00 0.79 C
+ATOM 2213 C ARG B 60 26.238 -9.672 -1.998 1.00 0.79 C
+ATOM 2214 O ARG B 60 25.141 -9.447 -2.510 1.00 0.79 O
+ATOM 2215 CB ARG B 60 27.833 -11.152 -3.313 1.00 0.79 C
+ATOM 2216 CG ARG B 60 28.730 -11.225 -4.571 1.00 0.79 C
+ATOM 2217 CD ARG B 60 29.000 -12.646 -5.093 1.00 0.79 C
+ATOM 2218 NE ARG B 60 29.998 -13.286 -4.189 1.00 0.79 N
+ATOM 2219 CZ ARG B 60 29.814 -14.354 -3.408 1.00 0.79 C
+ATOM 2220 NH1 ARG B 60 28.637 -14.936 -3.260 1.00 0.79 N
+ATOM 2221 NH2 ARG B 60 30.866 -14.870 -2.779 1.00 0.79 N
+ATOM 2222 N GLU B 61 26.348 -9.859 -0.660 1.00 0.87 N
+ATOM 2223 CA GLU B 61 25.229 -9.751 0.276 1.00 0.87 C
+ATOM 2224 C GLU B 61 24.576 -8.359 0.256 1.00 0.87 C
+ATOM 2225 O GLU B 61 23.356 -8.231 0.381 1.00 0.87 O
+ATOM 2226 CB GLU B 61 25.595 -10.148 1.748 1.00 0.87 C
+ATOM 2227 CG GLU B 61 25.690 -11.679 2.063 1.00 0.87 C
+ATOM 2228 CD GLU B 61 25.910 -12.047 3.550 1.00 0.87 C
+ATOM 2229 OE1 GLU B 61 27.030 -11.795 4.059 1.00 0.87 O
+ATOM 2230 OE2 GLU B 61 24.994 -12.635 4.204 1.00 0.87 O
+ATOM 2231 N LEU B 62 25.358 -7.274 0.049 1.00 0.86 N
+ATOM 2232 CA LEU B 62 24.870 -5.900 0.017 1.00 0.86 C
+ATOM 2233 C LEU B 62 23.781 -5.629 -1.015 1.00 0.86 C
+ATOM 2234 O LEU B 62 22.785 -4.969 -0.725 1.00 0.86 O
+ATOM 2235 CB LEU B 62 26.046 -4.923 -0.226 1.00 0.86 C
+ATOM 2236 CG LEU B 62 25.712 -3.421 -0.084 1.00 0.86 C
+ATOM 2237 CD1 LEU B 62 25.335 -3.046 1.356 1.00 0.86 C
+ATOM 2238 CD2 LEU B 62 26.897 -2.559 -0.538 1.00 0.86 C
+ATOM 2239 N VAL B 63 23.893 -6.172 -2.244 1.00 0.80 N
+ATOM 2240 CA VAL B 63 22.882 -5.986 -3.283 1.00 0.80 C
+ATOM 2241 C VAL B 63 21.528 -6.549 -2.866 1.00 0.80 C
+ATOM 2242 O VAL B 63 20.474 -5.928 -3.018 1.00 0.80 O
+ATOM 2243 CB VAL B 63 23.307 -6.609 -4.611 1.00 0.80 C
+ATOM 2244 CG1 VAL B 63 22.378 -6.133 -5.749 1.00 0.80 C
+ATOM 2245 CG2 VAL B 63 24.761 -6.211 -4.933 1.00 0.80 C
+ATOM 2246 N HIS B 64 21.541 -7.744 -2.250 1.00 0.85 N
+ATOM 2247 CA HIS B 64 20.360 -8.366 -1.689 1.00 0.85 C
+ATOM 2248 C HIS B 64 19.775 -7.612 -0.509 1.00 0.85 C
+ATOM 2249 O HIS B 64 18.559 -7.535 -0.347 1.00 0.85 O
+ATOM 2250 CB HIS B 64 20.650 -9.821 -1.301 1.00 0.85 C
+ATOM 2251 CG HIS B 64 20.970 -10.637 -2.511 1.00 0.85 C
+ATOM 2252 ND1 HIS B 64 19.949 -11.027 -3.358 1.00 0.85 N
+ATOM 2253 CD2 HIS B 64 22.168 -11.044 -2.999 1.00 0.85 C
+ATOM 2254 CE1 HIS B 64 20.549 -11.672 -4.340 1.00 0.85 C
+ATOM 2255 NE2 HIS B 64 21.894 -11.710 -4.174 1.00 0.85 N
+ATOM 2256 N MET B 65 20.628 -7.005 0.335 1.00 0.87 N
+ATOM 2257 CA MET B 65 20.209 -6.153 1.430 1.00 0.87 C
+ATOM 2258 C MET B 65 19.426 -4.926 0.990 1.00 0.87 C
+ATOM 2259 O MET B 65 18.410 -4.584 1.588 1.00 0.87 O
+ATOM 2260 CB MET B 65 21.438 -5.712 2.243 1.00 0.87 C
+ATOM 2261 CG MET B 65 21.110 -4.952 3.539 1.00 0.87 C
+ATOM 2262 SD MET B 65 22.549 -4.128 4.274 1.00 0.87 S
+ATOM 2263 CE MET B 65 23.563 -5.607 4.536 1.00 0.87 C
+ATOM 2264 N ILE B 66 19.843 -4.253 -0.098 1.00 0.87 N
+ATOM 2265 CA ILE B 66 19.094 -3.142 -0.675 1.00 0.87 C
+ATOM 2266 C ILE B 66 17.719 -3.594 -1.160 1.00 0.87 C
+ATOM 2267 O ILE B 66 16.703 -2.939 -0.923 1.00 0.87 O
+ATOM 2268 CB ILE B 66 19.891 -2.447 -1.782 1.00 0.87 C
+ATOM 2269 CG1 ILE B 66 20.865 -1.382 -1.229 1.00 0.87 C
+ATOM 2270 CG2 ILE B 66 18.954 -1.707 -2.759 1.00 0.87 C
+ATOM 2271 CD1 ILE B 66 21.978 -1.901 -0.320 1.00 0.87 C
+ATOM 2272 N ASN B 67 17.642 -4.769 -1.814 1.00 0.85 N
+ATOM 2273 CA ASN B 67 16.380 -5.365 -2.211 1.00 0.85 C
+ATOM 2274 C ASN B 67 15.477 -5.719 -1.026 1.00 0.85 C
+ATOM 2275 O ASN B 67 14.267 -5.513 -1.082 1.00 0.85 O
+ATOM 2276 CB ASN B 67 16.613 -6.617 -3.088 1.00 0.85 C
+ATOM 2277 CG ASN B 67 17.230 -6.238 -4.433 1.00 0.85 C
+ATOM 2278 OD1 ASN B 67 17.116 -5.117 -4.933 1.00 0.85 O
+ATOM 2279 ND2 ASN B 67 17.870 -7.242 -5.078 1.00 0.85 N
+ATOM 2280 N TRP B 68 16.044 -6.250 0.079 1.00 0.87 N
+ATOM 2281 CA TRP B 68 15.332 -6.478 1.327 1.00 0.87 C
+ATOM 2282 C TRP B 68 14.817 -5.191 1.955 1.00 0.87 C
+ATOM 2283 O TRP B 68 13.659 -5.112 2.356 1.00 0.87 O
+ATOM 2284 CB TRP B 68 16.252 -7.248 2.321 1.00 0.87 C
+ATOM 2285 CG TRP B 68 15.777 -7.325 3.771 1.00 0.87 C
+ATOM 2286 CD1 TRP B 68 14.846 -8.150 4.332 1.00 0.87 C
+ATOM 2287 CD2 TRP B 68 16.196 -6.412 4.793 1.00 0.87 C
+ATOM 2288 NE1 TRP B 68 14.646 -7.803 5.643 1.00 0.87 N
+ATOM 2289 CE2 TRP B 68 15.430 -6.725 5.955 1.00 0.87 C
+ATOM 2290 CE3 TRP B 68 17.128 -5.381 4.813 1.00 0.87 C
+ATOM 2291 CZ2 TRP B 68 15.587 -5.996 7.116 1.00 0.87 C
+ATOM 2292 CZ3 TRP B 68 17.282 -4.651 5.994 1.00 0.87 C
+ATOM 2293 CH2 TRP B 68 16.509 -4.943 7.129 1.00 0.87 C
+ATOM 2294 N ALA B 69 15.651 -4.135 2.008 1.00 0.93 N
+ATOM 2295 CA ALA B 69 15.303 -2.870 2.612 1.00 0.93 C
+ATOM 2296 C ALA B 69 14.116 -2.210 1.938 1.00 0.93 C
+ATOM 2297 O ALA B 69 13.190 -1.742 2.591 1.00 0.93 O
+ATOM 2298 CB ALA B 69 16.528 -1.944 2.579 1.00 0.93 C
+ATOM 2299 N LYS B 70 14.060 -2.260 0.595 1.00 0.86 N
+ATOM 2300 CA LYS B 70 12.948 -1.739 -0.180 1.00 0.86 C
+ATOM 2301 C LYS B 70 11.628 -2.478 0.047 1.00 0.86 C
+ATOM 2302 O LYS B 70 10.570 -1.983 -0.329 1.00 0.86 O
+ATOM 2303 CB LYS B 70 13.302 -1.744 -1.691 1.00 0.86 C
+ATOM 2304 CG LYS B 70 14.400 -0.727 -2.052 1.00 0.86 C
+ATOM 2305 CD LYS B 70 15.121 -1.003 -3.387 1.00 0.86 C
+ATOM 2306 CE LYS B 70 14.295 -0.758 -4.655 1.00 0.86 C
+ATOM 2307 NZ LYS B 70 15.172 -0.879 -5.841 1.00 0.86 N
+ATOM 2308 N ARG B 71 11.653 -3.666 0.687 1.00 0.84 N
+ATOM 2309 CA ARG B 71 10.453 -4.382 1.071 1.00 0.84 C
+ATOM 2310 C ARG B 71 10.147 -4.282 2.563 1.00 0.84 C
+ATOM 2311 O ARG B 71 9.155 -4.838 3.034 1.00 0.84 O
+ATOM 2312 CB ARG B 71 10.571 -5.877 0.697 1.00 0.84 C
+ATOM 2313 CG ARG B 71 10.585 -6.145 -0.819 1.00 0.84 C
+ATOM 2314 CD ARG B 71 10.557 -7.637 -1.166 1.00 0.84 C
+ATOM 2315 NE ARG B 71 11.821 -8.253 -0.647 1.00 0.84 N
+ATOM 2316 CZ ARG B 71 12.920 -8.499 -1.370 1.00 0.84 C
+ATOM 2317 NH1 ARG B 71 13.011 -8.098 -2.634 1.00 0.84 N
+ATOM 2318 NH2 ARG B 71 13.935 -9.166 -0.824 1.00 0.84 N
+ATOM 2319 N VAL B 72 10.952 -3.547 3.357 1.00 0.92 N
+ATOM 2320 CA VAL B 72 10.612 -3.227 4.736 1.00 0.92 C
+ATOM 2321 C VAL B 72 9.437 -2.244 4.751 1.00 0.92 C
+ATOM 2322 O VAL B 72 9.552 -1.196 4.108 1.00 0.92 O
+ATOM 2323 CB VAL B 72 11.800 -2.660 5.510 1.00 0.92 C
+ATOM 2324 CG1 VAL B 72 11.379 -2.155 6.906 1.00 0.92 C
+ATOM 2325 CG2 VAL B 72 12.870 -3.758 5.658 1.00 0.92 C
+ATOM 2326 N PRO B 73 8.292 -2.492 5.408 1.00 0.92 N
+ATOM 2327 CA PRO B 73 7.117 -1.635 5.293 1.00 0.92 C
+ATOM 2328 C PRO B 73 7.370 -0.168 5.591 1.00 0.92 C
+ATOM 2329 O PRO B 73 7.821 0.170 6.683 1.00 0.92 O
+ATOM 2330 CB PRO B 73 6.097 -2.271 6.250 1.00 0.92 C
+ATOM 2331 CG PRO B 73 6.448 -3.761 6.212 1.00 0.92 C
+ATOM 2332 CD PRO B 73 7.972 -3.751 6.088 1.00 0.92 C
+ATOM 2333 N GLY B 74 7.082 0.715 4.620 1.00 0.89 N
+ATOM 2334 CA GLY B 74 7.289 2.148 4.752 1.00 0.89 C
+ATOM 2335 C GLY B 74 8.687 2.657 4.532 1.00 0.89 C
+ATOM 2336 O GLY B 74 8.937 3.849 4.681 1.00 0.89 O
+ATOM 2337 N PHE B 75 9.658 1.797 4.165 1.00 0.89 N
+ATOM 2338 CA PHE B 75 11.008 2.240 3.857 1.00 0.89 C
+ATOM 2339 C PHE B 75 11.074 3.069 2.586 1.00 0.89 C
+ATOM 2340 O PHE B 75 11.739 4.096 2.531 1.00 0.89 O
+ATOM 2341 CB PHE B 75 11.951 1.015 3.766 1.00 0.89 C
+ATOM 2342 CG PHE B 75 13.400 1.383 3.577 1.00 0.89 C
+ATOM 2343 CD1 PHE B 75 14.198 1.750 4.671 1.00 0.89 C
+ATOM 2344 CD2 PHE B 75 13.978 1.338 2.297 1.00 0.89 C
+ATOM 2345 CE1 PHE B 75 15.553 2.060 4.490 1.00 0.89 C
+ATOM 2346 CE2 PHE B 75 15.332 1.635 2.115 1.00 0.89 C
+ATOM 2347 CZ PHE B 75 16.121 1.997 3.213 1.00 0.89 C
+ATOM 2348 N VAL B 76 10.357 2.660 1.524 1.00 0.86 N
+ATOM 2349 CA VAL B 76 10.425 3.354 0.248 1.00 0.86 C
+ATOM 2350 C VAL B 76 9.656 4.654 0.235 1.00 0.86 C
+ATOM 2351 O VAL B 76 9.871 5.496 -0.634 1.00 0.86 O
+ATOM 2352 CB VAL B 76 9.965 2.501 -0.919 1.00 0.86 C
+ATOM 2353 CG1 VAL B 76 10.970 1.353 -1.104 1.00 0.86 C
+ATOM 2354 CG2 VAL B 76 8.541 1.967 -0.682 1.00 0.86 C
+ATOM 2355 N ASP B 77 8.767 4.848 1.226 1.00 0.86 N
+ATOM 2356 CA ASP B 77 8.078 6.095 1.440 1.00 0.86 C
+ATOM 2357 C ASP B 77 8.984 7.152 2.061 1.00 0.86 C
+ATOM 2358 O ASP B 77 8.754 8.344 1.880 1.00 0.86 O
+ATOM 2359 CB ASP B 77 6.861 5.876 2.364 1.00 0.86 C
+ATOM 2360 CG ASP B 77 5.955 4.790 1.811 1.00 0.86 C
+ATOM 2361 OD1 ASP B 77 5.560 4.870 0.625 1.00 0.86 O
+ATOM 2362 OD2 ASP B 77 5.649 3.847 2.585 1.00 0.86 O
+ATOM 2363 N LEU B 78 10.059 6.734 2.776 1.00 0.83 N
+ATOM 2364 CA LEU B 78 11.107 7.627 3.240 1.00 0.83 C
+ATOM 2365 C LEU B 78 11.844 8.253 2.067 1.00 0.83 C
+ATOM 2366 O LEU B 78 11.978 7.640 1.006 1.00 0.83 O
+ATOM 2367 CB LEU B 78 12.197 6.924 4.103 1.00 0.83 C
+ATOM 2368 CG LEU B 78 11.731 6.130 5.339 1.00 0.83 C
+ATOM 2369 CD1 LEU B 78 12.924 5.385 5.950 1.00 0.83 C
+ATOM 2370 CD2 LEU B 78 11.118 7.037 6.400 1.00 0.83 C
+ATOM 2371 N THR B 79 12.385 9.483 2.193 1.00 0.78 N
+ATOM 2372 CA THR B 79 13.222 10.078 1.149 1.00 0.78 C
+ATOM 2373 C THR B 79 14.408 9.224 0.752 1.00 0.78 C
+ATOM 2374 O THR B 79 14.969 8.500 1.568 1.00 0.78 O
+ATOM 2375 CB THR B 79 13.699 11.533 1.325 1.00 0.78 C
+ATOM 2376 OG1 THR B 79 14.972 11.759 1.900 1.00 0.78 O
+ATOM 2377 CG2 THR B 79 12.634 12.427 1.947 1.00 0.78 C
+ATOM 2378 N LEU B 80 14.855 9.288 -0.524 1.00 0.77 N
+ATOM 2379 CA LEU B 80 16.001 8.532 -1.009 1.00 0.77 C
+ATOM 2380 C LEU B 80 17.282 8.829 -0.240 1.00 0.77 C
+ATOM 2381 O LEU B 80 18.098 7.947 -0.006 1.00 0.77 O
+ATOM 2382 CB LEU B 80 16.220 8.782 -2.523 1.00 0.77 C
+ATOM 2383 CG LEU B 80 15.103 8.239 -3.446 1.00 0.77 C
+ATOM 2384 CD1 LEU B 80 15.307 8.685 -4.904 1.00 0.77 C
+ATOM 2385 CD2 LEU B 80 15.036 6.707 -3.418 1.00 0.77 C
+ATOM 2386 N HIS B 81 17.472 10.082 0.223 1.00 0.70 N
+ATOM 2387 CA HIS B 81 18.582 10.439 1.096 1.00 0.70 C
+ATOM 2388 C HIS B 81 18.574 9.683 2.426 1.00 0.70 C
+ATOM 2389 O HIS B 81 19.557 9.062 2.822 1.00 0.70 O
+ATOM 2390 CB HIS B 81 18.516 11.959 1.373 1.00 0.70 C
+ATOM 2391 CG HIS B 81 19.464 12.436 2.415 1.00 0.70 C
+ATOM 2392 ND1 HIS B 81 20.809 12.227 2.222 1.00 0.70 N
+ATOM 2393 CD2 HIS B 81 19.227 12.934 3.653 1.00 0.70 C
+ATOM 2394 CE1 HIS B 81 21.374 12.589 3.355 1.00 0.70 C
+ATOM 2395 NE2 HIS B 81 20.461 13.031 4.258 1.00 0.70 N
+ATOM 2396 N ASP B 82 17.418 9.656 3.112 1.00 0.79 N
+ATOM 2397 CA ASP B 82 17.214 8.923 4.340 1.00 0.79 C
+ATOM 2398 C ASP B 82 17.343 7.417 4.148 1.00 0.79 C
+ATOM 2399 O ASP B 82 17.959 6.723 4.956 1.00 0.79 O
+ATOM 2400 CB ASP B 82 15.850 9.325 4.933 1.00 0.79 C
+ATOM 2401 CG ASP B 82 15.886 10.806 5.296 1.00 0.79 C
+ATOM 2402 OD1 ASP B 82 16.415 11.144 6.384 1.00 0.79 O
+ATOM 2403 OD2 ASP B 82 15.445 11.627 4.443 1.00 0.79 O
+ATOM 2404 N GLN B 83 16.838 6.874 3.021 1.00 0.84 N
+ATOM 2405 CA GLN B 83 17.067 5.488 2.649 1.00 0.84 C
+ATOM 2406 C GLN B 83 18.550 5.137 2.503 1.00 0.84 C
+ATOM 2407 O GLN B 83 19.007 4.131 3.044 1.00 0.84 O
+ATOM 2408 CB GLN B 83 16.331 5.123 1.336 1.00 0.84 C
+ATOM 2409 CG GLN B 83 14.789 5.155 1.439 1.00 0.84 C
+ATOM 2410 CD GLN B 83 14.149 4.784 0.100 1.00 0.84 C
+ATOM 2411 OE1 GLN B 83 14.495 3.782 -0.536 1.00 0.84 O
+ATOM 2412 NE2 GLN B 83 13.186 5.608 -0.363 1.00 0.84 N
+ATOM 2413 N VAL B 84 19.359 5.983 1.824 1.00 0.83 N
+ATOM 2414 CA VAL B 84 20.807 5.797 1.743 1.00 0.83 C
+ATOM 2415 C VAL B 84 21.480 5.897 3.107 1.00 0.83 C
+ATOM 2416 O VAL B 84 22.242 5.015 3.492 1.00 0.83 O
+ATOM 2417 CB VAL B 84 21.452 6.786 0.769 1.00 0.83 C
+ATOM 2418 CG1 VAL B 84 22.990 6.690 0.777 1.00 0.83 C
+ATOM 2419 CG2 VAL B 84 20.955 6.517 -0.662 1.00 0.83 C
+ATOM 2420 N HIS B 85 21.144 6.927 3.910 1.00 0.79 N
+ATOM 2421 CA HIS B 85 21.735 7.172 5.220 1.00 0.79 C
+ATOM 2422 C HIS B 85 21.503 6.040 6.208 1.00 0.79 C
+ATOM 2423 O HIS B 85 22.398 5.613 6.937 1.00 0.79 O
+ATOM 2424 CB HIS B 85 21.158 8.485 5.801 1.00 0.79 C
+ATOM 2425 CG HIS B 85 21.676 8.884 7.151 1.00 0.79 C
+ATOM 2426 ND1 HIS B 85 22.970 9.339 7.273 1.00 0.79 N
+ATOM 2427 CD2 HIS B 85 21.065 8.886 8.364 1.00 0.79 C
+ATOM 2428 CE1 HIS B 85 23.130 9.608 8.547 1.00 0.79 C
+ATOM 2429 NE2 HIS B 85 22.005 9.352 9.261 1.00 0.79 N
+ATOM 2430 N LEU B 86 20.279 5.472 6.232 1.00 0.84 N
+ATOM 2431 CA LEU B 86 19.988 4.306 7.043 1.00 0.84 C
+ATOM 2432 C LEU B 86 20.807 3.085 6.644 1.00 0.84 C
+ATOM 2433 O LEU B 86 21.331 2.371 7.498 1.00 0.84 O
+ATOM 2434 CB LEU B 86 18.486 3.954 7.003 1.00 0.84 C
+ATOM 2435 CG LEU B 86 17.555 4.971 7.697 1.00 0.84 C
+ATOM 2436 CD1 LEU B 86 16.101 4.521 7.514 1.00 0.84 C
+ATOM 2437 CD2 LEU B 86 17.862 5.158 9.192 1.00 0.84 C
+ATOM 2438 N LEU B 87 20.977 2.830 5.332 1.00 0.87 N
+ATOM 2439 CA LEU B 87 21.838 1.771 4.835 1.00 0.87 C
+ATOM 2440 C LEU B 87 23.320 1.994 5.123 1.00 0.87 C
+ATOM 2441 O LEU B 87 24.014 1.065 5.533 1.00 0.87 O
+ATOM 2442 CB LEU B 87 21.614 1.546 3.325 1.00 0.87 C
+ATOM 2443 CG LEU B 87 20.245 0.926 2.980 1.00 0.87 C
+ATOM 2444 CD1 LEU B 87 19.951 1.112 1.489 1.00 0.87 C
+ATOM 2445 CD2 LEU B 87 20.169 -0.566 3.338 1.00 0.87 C
+ATOM 2446 N GLU B 88 23.834 3.236 4.966 1.00 0.82 N
+ATOM 2447 CA GLU B 88 25.206 3.609 5.287 1.00 0.82 C
+ATOM 2448 C GLU B 88 25.534 3.359 6.752 1.00 0.82 C
+ATOM 2449 O GLU B 88 26.584 2.823 7.097 1.00 0.82 O
+ATOM 2450 CB GLU B 88 25.474 5.113 4.983 1.00 0.82 C
+ATOM 2451 CG GLU B 88 25.610 5.474 3.477 1.00 0.82 C
+ATOM 2452 CD GLU B 88 25.821 6.968 3.176 1.00 0.82 C
+ATOM 2453 OE1 GLU B 88 25.572 7.785 4.094 1.00 0.82 O
+ATOM 2454 OE2 GLU B 88 26.226 7.302 2.024 1.00 0.82 O
+ATOM 2455 N SER B 89 24.608 3.719 7.658 1.00 0.84 N
+ATOM 2456 CA SER B 89 24.751 3.437 9.077 1.00 0.84 C
+ATOM 2457 C SER B 89 24.565 1.963 9.454 1.00 0.84 C
+ATOM 2458 O SER B 89 25.331 1.410 10.238 1.00 0.84 O
+ATOM 2459 CB SER B 89 23.821 4.350 9.915 1.00 0.84 C
+ATOM 2460 OG SER B 89 24.286 4.473 11.259 1.00 0.84 O
+ATOM 2461 N ALA B 90 23.556 1.259 8.885 1.00 0.92 N
+ATOM 2462 CA ALA B 90 23.189 -0.072 9.347 1.00 0.92 C
+ATOM 2463 C ALA B 90 23.855 -1.269 8.682 1.00 0.92 C
+ATOM 2464 O ALA B 90 23.731 -2.385 9.183 1.00 0.92 O
+ATOM 2465 CB ALA B 90 21.684 -0.310 9.099 1.00 0.92 C
+ATOM 2466 N TRP B 91 24.552 -1.135 7.533 1.00 0.88 N
+ATOM 2467 CA TRP B 91 24.865 -2.303 6.707 1.00 0.88 C
+ATOM 2468 C TRP B 91 25.657 -3.416 7.395 1.00 0.88 C
+ATOM 2469 O TRP B 91 25.316 -4.592 7.289 1.00 0.88 O
+ATOM 2470 CB TRP B 91 25.561 -1.914 5.372 1.00 0.88 C
+ATOM 2471 CG TRP B 91 26.962 -1.348 5.517 1.00 0.88 C
+ATOM 2472 CD1 TRP B 91 27.319 -0.073 5.831 1.00 0.88 C
+ATOM 2473 CD2 TRP B 91 28.174 -2.110 5.436 1.00 0.88 C
+ATOM 2474 NE1 TRP B 91 28.679 0.011 5.989 1.00 0.88 N
+ATOM 2475 CE2 TRP B 91 29.236 -1.216 5.746 1.00 0.88 C
+ATOM 2476 CE3 TRP B 91 28.426 -3.443 5.139 1.00 0.88 C
+ATOM 2477 CZ2 TRP B 91 30.547 -1.652 5.753 1.00 0.88 C
+ATOM 2478 CZ3 TRP B 91 29.756 -3.877 5.152 1.00 0.88 C
+ATOM 2479 CH2 TRP B 91 30.804 -2.994 5.455 1.00 0.88 C
+ATOM 2480 N LEU B 92 26.706 -3.075 8.165 1.00 0.91 N
+ATOM 2481 CA LEU B 92 27.474 -4.056 8.902 1.00 0.91 C
+ATOM 2482 C LEU B 92 26.690 -4.715 10.032 1.00 0.91 C
+ATOM 2483 O LEU B 92 26.786 -5.922 10.237 1.00 0.91 O
+ATOM 2484 CB LEU B 92 28.813 -3.455 9.371 1.00 0.91 C
+ATOM 2485 CG LEU B 92 29.812 -4.467 9.969 1.00 0.91 C
+ATOM 2486 CD1 LEU B 92 30.158 -5.594 8.985 1.00 0.91 C
+ATOM 2487 CD2 LEU B 92 31.101 -3.756 10.390 1.00 0.91 C
+ATOM 2488 N GLU B 93 25.823 -3.963 10.749 1.00 0.91 N
+ATOM 2489 CA GLU B 93 24.922 -4.531 11.742 1.00 0.91 C
+ATOM 2490 C GLU B 93 23.981 -5.573 11.147 1.00 0.91 C
+ATOM 2491 O GLU B 93 23.780 -6.652 11.703 1.00 0.91 O
+ATOM 2492 CB GLU B 93 24.026 -3.461 12.413 1.00 0.91 C
+ATOM 2493 CG GLU B 93 24.752 -2.396 13.260 1.00 0.91 C
+ATOM 2494 CD GLU B 93 23.763 -1.431 13.914 1.00 0.91 C
+ATOM 2495 OE1 GLU B 93 23.492 -1.603 15.131 1.00 0.91 O
+ATOM 2496 OE2 GLU B 93 23.288 -0.501 13.217 1.00 0.91 O
+ATOM 2497 N ILE B 94 23.411 -5.284 9.961 1.00 0.95 N
+ATOM 2498 CA ILE B 94 22.545 -6.194 9.230 1.00 0.95 C
+ATOM 2499 C ILE B 94 23.270 -7.453 8.763 1.00 0.95 C
+ATOM 2500 O ILE B 94 22.752 -8.564 8.898 1.00 0.95 O
+ATOM 2501 CB ILE B 94 21.858 -5.478 8.073 1.00 0.95 C
+ATOM 2502 CG1 ILE B 94 21.021 -4.267 8.559 1.00 0.95 C
+ATOM 2503 CG2 ILE B 94 20.968 -6.440 7.260 1.00 0.95 C
+ATOM 2504 CD1 ILE B 94 19.808 -4.612 9.427 1.00 0.95 C
+ATOM 2505 N LEU B 95 24.517 -7.331 8.249 1.00 0.94 N
+ATOM 2506 CA LEU B 95 25.336 -8.498 7.938 1.00 0.94 C
+ATOM 2507 C LEU B 95 25.641 -9.338 9.175 1.00 0.94 C
+ATOM 2508 O LEU B 95 25.487 -10.560 9.181 1.00 0.94 O
+ATOM 2509 CB LEU B 95 26.689 -8.120 7.278 1.00 0.94 C
+ATOM 2510 CG LEU B 95 26.613 -7.471 5.880 1.00 0.94 C
+ATOM 2511 CD1 LEU B 95 28.026 -7.126 5.391 1.00 0.94 C
+ATOM 2512 CD2 LEU B 95 25.935 -8.374 4.844 1.00 0.94 C
+ATOM 2513 N MET B 96 26.029 -8.689 10.291 1.00 0.93 N
+ATOM 2514 CA MET B 96 26.323 -9.361 11.539 1.00 0.93 C
+ATOM 2515 C MET B 96 25.134 -10.068 12.160 1.00 0.93 C
+ATOM 2516 O MET B 96 25.248 -11.216 12.580 1.00 0.93 O
+ATOM 2517 CB MET B 96 26.930 -8.378 12.559 1.00 0.93 C
+ATOM 2518 CG MET B 96 28.374 -7.975 12.225 1.00 0.93 C
+ATOM 2519 SD MET B 96 29.052 -6.830 13.453 1.00 0.93 S
+ATOM 2520 CE MET B 96 30.768 -6.966 12.886 1.00 0.93 C
+ATOM 2521 N ILE B 97 23.935 -9.453 12.204 1.00 0.94 N
+ATOM 2522 CA ILE B 97 22.758 -10.144 12.719 1.00 0.94 C
+ATOM 2523 C ILE B 97 22.362 -11.333 11.846 1.00 0.94 C
+ATOM 2524 O ILE B 97 21.953 -12.383 12.343 1.00 0.94 O
+ATOM 2525 CB ILE B 97 21.580 -9.228 13.056 1.00 0.94 C
+ATOM 2526 CG1 ILE B 97 20.652 -9.926 14.083 1.00 0.94 C
+ATOM 2527 CG2 ILE B 97 20.831 -8.796 11.783 1.00 0.94 C
+ATOM 2528 CD1 ILE B 97 19.365 -9.170 14.430 1.00 0.94 C
+ATOM 2529 N GLY B 98 22.535 -11.230 10.507 1.00 0.96 N
+ATOM 2530 CA GLY B 98 22.324 -12.361 9.610 1.00 0.96 C
+ATOM 2531 C GLY B 98 23.307 -13.488 9.803 1.00 0.96 C
+ATOM 2532 O GLY B 98 22.927 -14.654 9.784 1.00 0.96 O
+ATOM 2533 N LEU B 99 24.589 -13.177 10.056 1.00 0.94 N
+ATOM 2534 CA LEU B 99 25.588 -14.156 10.443 1.00 0.94 C
+ATOM 2535 C LEU B 99 25.259 -14.850 11.754 1.00 0.94 C
+ATOM 2536 O LEU B 99 25.363 -16.069 11.883 1.00 0.94 O
+ATOM 2537 CB LEU B 99 26.958 -13.456 10.578 1.00 0.94 C
+ATOM 2538 CG LEU B 99 28.102 -14.320 11.143 1.00 0.94 C
+ATOM 2539 CD1 LEU B 99 28.435 -15.486 10.212 1.00 0.94 C
+ATOM 2540 CD2 LEU B 99 29.350 -13.463 11.362 1.00 0.94 C
+ATOM 2541 N VAL B 100 24.823 -14.088 12.772 1.00 0.94 N
+ATOM 2542 CA VAL B 100 24.451 -14.618 14.072 1.00 0.94 C
+ATOM 2543 C VAL B 100 23.276 -15.580 13.971 1.00 0.94 C
+ATOM 2544 O VAL B 100 23.296 -16.660 14.557 1.00 0.94 O
+ATOM 2545 CB VAL B 100 24.185 -13.483 15.054 1.00 0.94 C
+ATOM 2546 CG1 VAL B 100 23.607 -14.005 16.374 1.00 0.94 C
+ATOM 2547 CG2 VAL B 100 25.506 -12.750 15.362 1.00 0.94 C
+ATOM 2548 N TRP B 101 22.251 -15.238 13.164 1.00 0.90 N
+ATOM 2549 CA TRP B 101 21.140 -16.122 12.862 1.00 0.90 C
+ATOM 2550 C TRP B 101 21.554 -17.409 12.155 1.00 0.90 C
+ATOM 2551 O TRP B 101 21.159 -18.501 12.555 1.00 0.90 O
+ATOM 2552 CB TRP B 101 20.099 -15.338 12.025 1.00 0.90 C
+ATOM 2553 CG TRP B 101 18.894 -16.131 11.533 1.00 0.90 C
+ATOM 2554 CD1 TRP B 101 18.665 -16.629 10.280 1.00 0.90 C
+ATOM 2555 CD2 TRP B 101 17.809 -16.553 12.358 1.00 0.90 C
+ATOM 2556 NE1 TRP B 101 17.500 -17.352 10.275 1.00 0.90 N
+ATOM 2557 CE2 TRP B 101 16.955 -17.347 11.529 1.00 0.90 C
+ATOM 2558 CE3 TRP B 101 17.505 -16.344 13.694 1.00 0.90 C
+ATOM 2559 CZ2 TRP B 101 15.820 -17.932 12.049 1.00 0.90 C
+ATOM 2560 CZ3 TRP B 101 16.356 -16.947 14.211 1.00 0.90 C
+ATOM 2561 CH2 TRP B 101 15.527 -17.742 13.402 1.00 0.90 C
+ATOM 2562 N ARG B 102 22.421 -17.341 11.124 1.00 0.86 N
+ATOM 2563 CA ARG B 102 22.891 -18.535 10.439 1.00 0.86 C
+ATOM 2564 C ARG B 102 23.680 -19.476 11.340 1.00 0.86 C
+ATOM 2565 O ARG B 102 23.661 -20.693 11.183 1.00 0.86 O
+ATOM 2566 CB ARG B 102 23.756 -18.171 9.212 1.00 0.86 C
+ATOM 2567 CG ARG B 102 22.976 -17.478 8.080 1.00 0.86 C
+ATOM 2568 CD ARG B 102 23.788 -17.284 6.791 1.00 0.86 C
+ATOM 2569 NE ARG B 102 25.020 -16.449 7.047 1.00 0.86 N
+ATOM 2570 CZ ARG B 102 25.180 -15.180 6.619 1.00 0.86 C
+ATOM 2571 NH1 ARG B 102 24.151 -14.395 6.335 1.00 0.86 N
+ATOM 2572 NH2 ARG B 102 26.391 -14.679 6.411 1.00 0.86 N
+ATOM 2573 N SER B 103 24.377 -18.918 12.340 1.00 0.92 N
+ATOM 2574 CA SER B 103 25.258 -19.665 13.214 1.00 0.92 C
+ATOM 2575 C SER B 103 24.549 -20.200 14.436 1.00 0.92 C
+ATOM 2576 O SER B 103 25.162 -20.852 15.279 1.00 0.92 O
+ATOM 2577 CB SER B 103 26.378 -18.738 13.739 1.00 0.92 C
+ATOM 2578 OG SER B 103 27.101 -18.167 12.652 1.00 0.92 O
+ATOM 2579 N MET B 104 23.233 -19.957 14.573 1.00 0.88 N
+ATOM 2580 CA MET B 104 22.477 -20.211 15.787 1.00 0.88 C
+ATOM 2581 C MET B 104 22.486 -21.672 16.208 1.00 0.88 C
+ATOM 2582 O MET B 104 22.702 -22.003 17.376 1.00 0.88 O
+ATOM 2583 CB MET B 104 21.039 -19.687 15.594 1.00 0.88 C
+ATOM 2584 CG MET B 104 20.211 -19.540 16.879 1.00 0.88 C
+ATOM 2585 SD MET B 104 18.662 -18.641 16.567 1.00 0.88 S
+ATOM 2586 CE MET B 104 17.606 -19.672 17.616 1.00 0.88 C
+ATOM 2587 N GLU B 105 22.349 -22.585 15.232 1.00 0.85 N
+ATOM 2588 CA GLU B 105 22.303 -24.013 15.462 1.00 0.85 C
+ATOM 2589 C GLU B 105 23.678 -24.664 15.392 1.00 0.85 C
+ATOM 2590 O GLU B 105 23.804 -25.877 15.540 1.00 0.85 O
+ATOM 2591 CB GLU B 105 21.364 -24.667 14.426 1.00 0.85 C
+ATOM 2592 CG GLU B 105 19.888 -24.228 14.593 1.00 0.85 C
+ATOM 2593 CD GLU B 105 18.942 -24.876 13.579 1.00 0.85 C
+ATOM 2594 OE1 GLU B 105 19.430 -25.567 12.649 1.00 0.85 O
+ATOM 2595 OE2 GLU B 105 17.713 -24.666 13.739 1.00 0.85 O
+ATOM 2596 N HIS B 106 24.760 -23.865 15.245 1.00 0.89 N
+ATOM 2597 CA HIS B 106 26.134 -24.350 15.182 1.00 0.89 C
+ATOM 2598 C HIS B 106 26.982 -23.861 16.360 1.00 0.89 C
+ATOM 2599 O HIS B 106 27.751 -22.910 16.194 1.00 0.89 O
+ATOM 2600 CB HIS B 106 26.807 -23.913 13.863 1.00 0.89 C
+ATOM 2601 CG HIS B 106 26.050 -24.406 12.674 1.00 0.89 C
+ATOM 2602 ND1 HIS B 106 26.153 -25.734 12.313 1.00 0.89 N
+ATOM 2603 CD2 HIS B 106 25.111 -23.782 11.919 1.00 0.89 C
+ATOM 2604 CE1 HIS B 106 25.269 -25.895 11.349 1.00 0.89 C
+ATOM 2605 NE2 HIS B 106 24.609 -24.744 11.070 1.00 0.89 N
+ATOM 2606 N PRO B 107 26.897 -24.424 17.573 1.00 0.92 N
+ATOM 2607 CA PRO B 107 27.662 -23.976 18.734 1.00 0.92 C
+ATOM 2608 C PRO B 107 29.160 -23.853 18.532 1.00 0.92 C
+ATOM 2609 O PRO B 107 29.807 -24.802 18.099 1.00 0.92 O
+ATOM 2610 CB PRO B 107 27.334 -25.002 19.831 1.00 0.92 C
+ATOM 2611 CG PRO B 107 25.953 -25.527 19.446 1.00 0.92 C
+ATOM 2612 CD PRO B 107 26.003 -25.529 17.919 1.00 0.92 C
+ATOM 2613 N GLY B 108 29.740 -22.680 18.857 1.00 0.94 N
+ATOM 2614 CA GLY B 108 31.184 -22.477 18.778 1.00 0.94 C
+ATOM 2615 C GLY B 108 31.703 -22.178 17.396 1.00 0.94 C
+ATOM 2616 O GLY B 108 32.911 -22.080 17.193 1.00 0.94 O
+ATOM 2617 N LYS B 109 30.803 -22.017 16.411 1.00 0.92 N
+ATOM 2618 CA LYS B 109 31.161 -21.784 15.032 1.00 0.92 C
+ATOM 2619 C LYS B 109 30.413 -20.579 14.488 1.00 0.92 C
+ATOM 2620 O LYS B 109 29.355 -20.193 14.982 1.00 0.92 O
+ATOM 2621 CB LYS B 109 30.788 -23.000 14.148 1.00 0.92 C
+ATOM 2622 CG LYS B 109 31.418 -24.342 14.554 1.00 0.92 C
+ATOM 2623 CD LYS B 109 32.941 -24.344 14.372 1.00 0.92 C
+ATOM 2624 CE LYS B 109 33.596 -25.693 14.663 1.00 0.92 C
+ATOM 2625 NZ LYS B 109 35.036 -25.664 14.326 1.00 0.92 N
+ATOM 2626 N LEU B 110 30.962 -19.955 13.432 1.00 0.94 N
+ATOM 2627 CA LEU B 110 30.327 -18.884 12.698 1.00 0.94 C
+ATOM 2628 C LEU B 110 30.113 -19.316 11.257 1.00 0.94 C
+ATOM 2629 O LEU B 110 31.057 -19.542 10.498 1.00 0.94 O
+ATOM 2630 CB LEU B 110 31.152 -17.577 12.741 1.00 0.94 C
+ATOM 2631 CG LEU B 110 31.229 -16.924 14.135 1.00 0.94 C
+ATOM 2632 CD1 LEU B 110 32.187 -15.727 14.124 1.00 0.94 C
+ATOM 2633 CD2 LEU B 110 29.848 -16.475 14.636 1.00 0.94 C
+ATOM 2634 N LEU B 111 28.838 -19.459 10.843 1.00 0.94 N
+ATOM 2635 CA LEU B 111 28.454 -19.903 9.517 1.00 0.94 C
+ATOM 2636 C LEU B 111 28.275 -18.701 8.606 1.00 0.94 C
+ATOM 2637 O LEU B 111 27.183 -18.170 8.377 1.00 0.94 O
+ATOM 2638 CB LEU B 111 27.173 -20.773 9.575 1.00 0.94 C
+ATOM 2639 CG LEU B 111 26.771 -21.486 8.263 1.00 0.94 C
+ATOM 2640 CD1 LEU B 111 27.797 -22.535 7.816 1.00 0.94 C
+ATOM 2641 CD2 LEU B 111 25.407 -22.169 8.432 1.00 0.94 C
+ATOM 2642 N PHE B 112 29.400 -18.228 8.041 1.00 0.93 N
+ATOM 2643 CA PHE B 112 29.439 -17.117 7.115 1.00 0.93 C
+ATOM 2644 C PHE B 112 28.707 -17.447 5.837 1.00 0.93 C
+ATOM 2645 O PHE B 112 27.943 -16.638 5.323 1.00 0.93 O
+ATOM 2646 CB PHE B 112 30.894 -16.709 6.793 1.00 0.93 C
+ATOM 2647 CG PHE B 112 31.497 -15.952 7.942 1.00 0.93 C
+ATOM 2648 CD1 PHE B 112 32.199 -16.611 8.966 1.00 0.93 C
+ATOM 2649 CD2 PHE B 112 31.384 -14.552 7.990 1.00 0.93 C
+ATOM 2650 CE1 PHE B 112 32.767 -15.884 10.021 1.00 0.93 C
+ATOM 2651 CE2 PHE B 112 31.967 -13.824 9.034 1.00 0.93 C
+ATOM 2652 CZ PHE B 112 32.649 -14.491 10.056 1.00 0.93 C
+ATOM 2653 N ALA B 113 28.879 -18.678 5.348 1.00 0.94 N
+ATOM 2654 CA ALA B 113 28.182 -19.174 4.195 1.00 0.94 C
+ATOM 2655 C ALA B 113 28.115 -20.683 4.345 1.00 0.94 C
+ATOM 2656 O ALA B 113 28.875 -21.207 5.161 1.00 0.94 O
+ATOM 2657 CB ALA B 113 28.945 -18.787 2.915 1.00 0.94 C
+ATOM 2658 N PRO B 114 27.286 -21.454 3.634 1.00 0.93 N
+ATOM 2659 CA PRO B 114 27.197 -22.907 3.804 1.00 0.93 C
+ATOM 2660 C PRO B 114 28.500 -23.632 3.557 1.00 0.93 C
+ATOM 2661 O PRO B 114 28.680 -24.743 4.038 1.00 0.93 O
+ATOM 2662 CB PRO B 114 26.107 -23.342 2.818 1.00 0.93 C
+ATOM 2663 CG PRO B 114 25.217 -22.107 2.689 1.00 0.93 C
+ATOM 2664 CD PRO B 114 26.211 -20.947 2.777 1.00 0.93 C
+ATOM 2665 N ASN B 115 29.409 -23.016 2.783 1.00 0.87 N
+ATOM 2666 CA ASN B 115 30.725 -23.531 2.496 1.00 0.87 C
+ATOM 2667 C ASN B 115 31.830 -22.786 3.236 1.00 0.87 C
+ATOM 2668 O ASN B 115 33.005 -22.949 2.923 1.00 0.87 O
+ATOM 2669 CB ASN B 115 30.980 -23.499 0.967 1.00 0.87 C
+ATOM 2670 CG ASN B 115 30.940 -22.087 0.387 1.00 0.87 C
+ATOM 2671 OD1 ASN B 115 30.227 -21.179 0.827 1.00 0.87 O
+ATOM 2672 ND2 ASN B 115 31.731 -21.876 -0.687 1.00 0.87 N
+ATOM 2673 N LEU B 116 31.485 -21.944 4.225 1.00 0.88 N
+ATOM 2674 CA LEU B 116 32.465 -21.223 5.009 1.00 0.88 C
+ATOM 2675 C LEU B 116 32.020 -21.175 6.456 1.00 0.88 C
+ATOM 2676 O LEU B 116 31.294 -20.281 6.894 1.00 0.88 O
+ATOM 2677 CB LEU B 116 32.696 -19.802 4.451 1.00 0.88 C
+ATOM 2678 CG LEU B 116 33.926 -19.054 5.002 1.00 0.88 C
+ATOM 2679 CD1 LEU B 116 35.237 -19.796 4.702 1.00 0.88 C
+ATOM 2680 CD2 LEU B 116 34.004 -17.640 4.414 1.00 0.88 C
+ATOM 2681 N LEU B 117 32.473 -22.171 7.233 1.00 0.91 N
+ATOM 2682 CA LEU B 117 32.197 -22.303 8.645 1.00 0.91 C
+ATOM 2683 C LEU B 117 33.499 -22.059 9.381 1.00 0.91 C
+ATOM 2684 O LEU B 117 34.466 -22.798 9.202 1.00 0.91 O
+ATOM 2685 CB LEU B 117 31.691 -23.736 8.949 1.00 0.91 C
+ATOM 2686 CG LEU B 117 31.238 -24.002 10.399 1.00 0.91 C
+ATOM 2687 CD1 LEU B 117 29.952 -23.236 10.722 1.00 0.91 C
+ATOM 2688 CD2 LEU B 117 31.025 -25.505 10.633 1.00 0.91 C
+ATOM 2689 N LEU B 118 33.564 -20.996 10.203 1.00 0.90 N
+ATOM 2690 CA LEU B 118 34.796 -20.589 10.854 1.00 0.90 C
+ATOM 2691 C LEU B 118 34.659 -20.656 12.364 1.00 0.90 C
+ATOM 2692 O LEU B 118 33.565 -20.515 12.904 1.00 0.90 O
+ATOM 2693 CB LEU B 118 35.224 -19.151 10.458 1.00 0.90 C
+ATOM 2694 CG LEU B 118 35.483 -18.942 8.950 1.00 0.90 C
+ATOM 2695 CD1 LEU B 118 35.866 -17.485 8.652 1.00 0.90 C
+ATOM 2696 CD2 LEU B 118 36.589 -19.866 8.424 1.00 0.90 C
+ATOM 2697 N ASP B 119 35.761 -20.879 13.103 1.00 0.89 N
+ATOM 2698 CA ASP B 119 35.755 -20.821 14.552 1.00 0.89 C
+ATOM 2699 C ASP B 119 36.748 -19.825 15.102 1.00 0.89 C
+ATOM 2700 O ASP B 119 37.418 -19.086 14.377 1.00 0.89 O
+ATOM 2701 CB ASP B 119 35.962 -22.206 15.215 1.00 0.89 C
+ATOM 2702 CG ASP B 119 37.272 -22.884 14.852 1.00 0.89 C
+ATOM 2703 OD1 ASP B 119 38.348 -22.244 14.945 1.00 0.89 O
+ATOM 2704 OD2 ASP B 119 37.178 -24.106 14.558 1.00 0.89 O
+ATOM 2705 N ARG B 120 36.864 -19.801 16.446 1.00 0.79 N
+ATOM 2706 CA ARG B 120 37.753 -18.921 17.164 1.00 0.79 C
+ATOM 2707 C ARG B 120 39.196 -19.040 16.738 1.00 0.79 C
+ATOM 2708 O ARG B 120 39.882 -18.034 16.590 1.00 0.79 O
+ATOM 2709 CB ARG B 120 37.775 -19.219 18.680 1.00 0.79 C
+ATOM 2710 CG ARG B 120 36.494 -18.863 19.442 1.00 0.79 C
+ATOM 2711 CD ARG B 120 36.697 -18.914 20.964 1.00 0.79 C
+ATOM 2712 NE ARG B 120 37.443 -17.681 21.365 1.00 0.79 N
+ATOM 2713 CZ ARG B 120 38.644 -17.541 21.924 1.00 0.79 C
+ATOM 2714 NH1 ARG B 120 39.448 -18.575 22.152 1.00 0.79 N
+ATOM 2715 NH2 ARG B 120 39.046 -16.326 22.282 1.00 0.79 N
+ATOM 2716 N ASN B 121 39.702 -20.269 16.533 1.00 0.85 N
+ATOM 2717 CA ASN B 121 41.096 -20.499 16.225 1.00 0.85 C
+ATOM 2718 C ASN B 121 41.473 -19.922 14.877 1.00 0.85 C
+ATOM 2719 O ASN B 121 42.528 -19.313 14.722 1.00 0.85 O
+ATOM 2720 CB ASN B 121 41.431 -22.001 16.278 1.00 0.85 C
+ATOM 2721 CG ASN B 121 41.441 -22.480 17.724 1.00 0.85 C
+ATOM 2722 OD1 ASN B 121 41.707 -21.740 18.681 1.00 0.85 O
+ATOM 2723 ND2 ASN B 121 41.185 -23.799 17.891 1.00 0.85 N
+ATOM 2724 N GLN B 122 40.578 -20.049 13.886 1.00 0.82 N
+ATOM 2725 CA GLN B 122 40.722 -19.407 12.595 1.00 0.82 C
+ATOM 2726 C GLN B 122 40.670 -17.888 12.678 1.00 0.82 C
+ATOM 2727 O GLN B 122 41.402 -17.191 11.986 1.00 0.82 O
+ATOM 2728 CB GLN B 122 39.670 -19.964 11.618 1.00 0.82 C
+ATOM 2729 CG GLN B 122 39.903 -21.465 11.328 1.00 0.82 C
+ATOM 2730 CD GLN B 122 38.709 -22.080 10.613 1.00 0.82 C
+ATOM 2731 OE1 GLN B 122 37.606 -22.122 11.158 1.00 0.82 O
+ATOM 2732 NE2 GLN B 122 38.918 -22.575 9.373 1.00 0.82 N
+ATOM 2733 N GLY B 123 39.845 -17.322 13.583 1.00 0.88 N
+ATOM 2734 CA GLY B 123 39.832 -15.881 13.815 1.00 0.88 C
+ATOM 2735 C GLY B 123 41.050 -15.341 14.523 1.00 0.88 C
+ATOM 2736 O GLY B 123 41.303 -14.144 14.500 1.00 0.88 O
+ATOM 2737 N LYS B 124 41.883 -16.195 15.140 1.00 0.77 N
+ATOM 2738 CA LYS B 124 43.104 -15.749 15.781 1.00 0.77 C
+ATOM 2739 C LYS B 124 44.228 -15.421 14.813 1.00 0.77 C
+ATOM 2740 O LYS B 124 45.216 -14.807 15.208 1.00 0.77 O
+ATOM 2741 CB LYS B 124 43.661 -16.806 16.759 1.00 0.77 C
+ATOM 2742 CG LYS B 124 42.835 -17.030 18.029 1.00 0.77 C
+ATOM 2743 CD LYS B 124 43.493 -18.133 18.866 1.00 0.77 C
+ATOM 2744 CE LYS B 124 42.751 -18.465 20.154 1.00 0.77 C
+ATOM 2745 NZ LYS B 124 43.515 -19.490 20.899 1.00 0.77 N
+ATOM 2746 N SER B 125 44.138 -15.814 13.526 1.00 0.71 N
+ATOM 2747 CA SER B 125 45.211 -15.532 12.579 1.00 0.71 C
+ATOM 2748 C SER B 125 45.246 -14.084 12.131 1.00 0.71 C
+ATOM 2749 O SER B 125 46.265 -13.572 11.676 1.00 0.71 O
+ATOM 2750 CB SER B 125 45.133 -16.438 11.327 1.00 0.71 C
+ATOM 2751 OG SER B 125 43.901 -16.263 10.627 1.00 0.71 O
+ATOM 2752 N VAL B 126 44.124 -13.368 12.305 1.00 0.75 N
+ATOM 2753 CA VAL B 126 43.995 -11.974 11.953 1.00 0.75 C
+ATOM 2754 C VAL B 126 43.857 -11.179 13.238 1.00 0.75 C
+ATOM 2755 O VAL B 126 42.946 -11.386 14.037 1.00 0.75 O
+ATOM 2756 CB VAL B 126 42.781 -11.748 11.061 1.00 0.75 C
+ATOM 2757 CG1 VAL B 126 42.637 -10.262 10.692 1.00 0.75 C
+ATOM 2758 CG2 VAL B 126 42.919 -12.589 9.777 1.00 0.75 C
+ATOM 2759 N GLU B 127 44.780 -10.227 13.485 1.00 0.75 N
+ATOM 2760 CA GLU B 127 44.755 -9.363 14.654 1.00 0.75 C
+ATOM 2761 C GLU B 127 43.470 -8.552 14.740 1.00 0.75 C
+ATOM 2762 O GLU B 127 42.989 -8.037 13.734 1.00 0.75 O
+ATOM 2763 CB GLU B 127 46.008 -8.460 14.633 1.00 0.75 C
+ATOM 2764 CG GLU B 127 46.132 -7.440 15.791 1.00 0.75 C
+ATOM 2765 CD GLU B 127 45.774 -6.018 15.354 1.00 0.75 C
+ATOM 2766 OE1 GLU B 127 46.497 -5.483 14.474 1.00 0.75 O
+ATOM 2767 OE2 GLU B 127 44.796 -5.457 15.905 1.00 0.75 O
+ATOM 2768 N GLY B 128 42.836 -8.524 15.932 1.00 0.80 N
+ATOM 2769 CA GLY B 128 41.565 -7.856 16.193 1.00 0.80 C
+ATOM 2770 C GLY B 128 40.332 -8.581 15.715 1.00 0.80 C
+ATOM 2771 O GLY B 128 39.211 -8.109 15.899 1.00 0.80 O
+ATOM 2772 N MET B 129 40.476 -9.762 15.083 1.00 0.81 N
+ATOM 2773 CA MET B 129 39.337 -10.536 14.636 1.00 0.81 C
+ATOM 2774 C MET B 129 38.752 -11.425 15.713 1.00 0.81 C
+ATOM 2775 O MET B 129 37.531 -11.576 15.804 1.00 0.81 O
+ATOM 2776 CB MET B 129 39.705 -11.361 13.387 1.00 0.81 C
+ATOM 2777 CG MET B 129 38.586 -12.270 12.855 1.00 0.81 C
+ATOM 2778 SD MET B 129 38.886 -12.885 11.173 1.00 0.81 S
+ATOM 2779 CE MET B 129 38.287 -11.380 10.358 1.00 0.81 C
+ATOM 2780 N VAL B 130 39.587 -12.045 16.571 1.00 0.85 N
+ATOM 2781 CA VAL B 130 39.117 -13.009 17.554 1.00 0.85 C
+ATOM 2782 C VAL B 130 38.159 -12.405 18.569 1.00 0.85 C
+ATOM 2783 O VAL B 130 37.146 -13.005 18.917 1.00 0.85 O
+ATOM 2784 CB VAL B 130 40.246 -13.810 18.193 1.00 0.85 C
+ATOM 2785 CG1 VAL B 130 41.114 -12.951 19.124 1.00 0.85 C
+ATOM 2786 CG2 VAL B 130 39.668 -15.025 18.944 1.00 0.85 C
+ATOM 2787 N GLU B 131 38.399 -11.157 19.002 1.00 0.83 N
+ATOM 2788 CA GLU B 131 37.528 -10.418 19.885 1.00 0.83 C
+ATOM 2789 C GLU B 131 36.141 -10.213 19.301 1.00 0.83 C
+ATOM 2790 O GLU B 131 35.122 -10.396 19.962 1.00 0.83 O
+ATOM 2791 CB GLU B 131 38.140 -9.030 20.202 1.00 0.83 C
+ATOM 2792 CG GLU B 131 39.586 -9.090 20.760 1.00 0.83 C
+ATOM 2793 CD GLU B 131 40.681 -8.983 19.691 1.00 0.83 C
+ATOM 2794 OE1 GLU B 131 41.513 -8.051 19.806 1.00 0.83 O
+ATOM 2795 OE2 GLU B 131 40.701 -9.821 18.753 1.00 0.83 O
+ATOM 2796 N ILE B 132 36.063 -9.852 18.007 1.00 0.87 N
+ATOM 2797 CA ILE B 132 34.807 -9.698 17.293 1.00 0.87 C
+ATOM 2798 C ILE B 132 34.106 -11.029 17.086 1.00 0.87 C
+ATOM 2799 O ILE B 132 32.892 -11.138 17.260 1.00 0.87 O
+ATOM 2800 CB ILE B 132 34.987 -8.921 15.995 1.00 0.87 C
+ATOM 2801 CG1 ILE B 132 35.611 -7.538 16.297 1.00 0.87 C
+ATOM 2802 CG2 ILE B 132 33.626 -8.736 15.285 1.00 0.87 C
+ATOM 2803 CD1 ILE B 132 36.138 -6.821 15.053 1.00 0.87 C
+ATOM 2804 N PHE B 133 34.857 -12.104 16.770 1.00 0.88 N
+ATOM 2805 CA PHE B 133 34.313 -13.452 16.689 1.00 0.88 C
+ATOM 2806 C PHE B 133 33.696 -13.906 18.004 1.00 0.88 C
+ATOM 2807 O PHE B 133 32.579 -14.418 18.020 1.00 0.88 O
+ATOM 2808 CB PHE B 133 35.391 -14.491 16.259 1.00 0.88 C
+ATOM 2809 CG PHE B 133 35.581 -14.626 14.765 1.00 0.88 C
+ATOM 2810 CD1 PHE B 133 35.307 -13.592 13.849 1.00 0.88 C
+ATOM 2811 CD2 PHE B 133 36.067 -15.848 14.262 1.00 0.88 C
+ATOM 2812 CE1 PHE B 133 35.498 -13.783 12.474 1.00 0.88 C
+ATOM 2813 CE2 PHE B 133 36.256 -16.043 12.889 1.00 0.88 C
+ATOM 2814 CZ PHE B 133 35.968 -15.010 11.992 1.00 0.88 C
+ATOM 2815 N ASP B 134 34.372 -13.667 19.140 1.00 0.88 N
+ATOM 2816 CA ASP B 134 33.883 -13.993 20.465 1.00 0.88 C
+ATOM 2817 C ASP B 134 32.597 -13.277 20.827 1.00 0.88 C
+ATOM 2818 O ASP B 134 31.667 -13.862 21.384 1.00 0.88 O
+ATOM 2819 CB ASP B 134 34.977 -13.671 21.509 1.00 0.88 C
+ATOM 2820 CG ASP B 134 36.097 -14.686 21.422 1.00 0.88 C
+ATOM 2821 OD1 ASP B 134 35.950 -15.693 20.683 1.00 0.88 O
+ATOM 2822 OD2 ASP B 134 37.130 -14.539 22.126 1.00 0.88 O
+ATOM 2823 N MET B 135 32.485 -11.988 20.467 1.00 0.85 N
+ATOM 2824 CA MET B 135 31.235 -11.274 20.582 1.00 0.85 C
+ATOM 2825 C MET B 135 30.120 -11.843 19.709 1.00 0.85 C
+ATOM 2826 O MET B 135 29.002 -12.031 20.180 1.00 0.85 O
+ATOM 2827 CB MET B 135 31.427 -9.780 20.258 1.00 0.85 C
+ATOM 2828 CG MET B 135 32.302 -9.029 21.274 1.00 0.85 C
+ATOM 2829 SD MET B 135 32.301 -7.223 21.047 1.00 0.85 S
+ATOM 2830 CE MET B 135 33.209 -7.123 19.477 1.00 0.85 C
+ATOM 2831 N LEU B 136 30.393 -12.177 18.430 1.00 0.91 N
+ATOM 2832 CA LEU B 136 29.409 -12.767 17.531 1.00 0.91 C
+ATOM 2833 C LEU B 136 28.925 -14.139 17.991 1.00 0.91 C
+ATOM 2834 O LEU B 136 27.735 -14.460 17.951 1.00 0.91 O
+ATOM 2835 CB LEU B 136 29.975 -12.873 16.094 1.00 0.91 C
+ATOM 2836 CG LEU B 136 30.173 -11.518 15.384 1.00 0.91 C
+ATOM 2837 CD1 LEU B 136 31.181 -11.654 14.237 1.00 0.91 C
+ATOM 2838 CD2 LEU B 136 28.855 -10.951 14.838 1.00 0.91 C
+ATOM 2839 N LEU B 137 29.850 -14.981 18.483 1.00 0.89 N
+ATOM 2840 CA LEU B 137 29.556 -16.259 19.097 1.00 0.89 C
+ATOM 2841 C LEU B 137 28.719 -16.140 20.359 1.00 0.89 C
+ATOM 2842 O LEU B 137 27.808 -16.934 20.598 1.00 0.89 O
+ATOM 2843 CB LEU B 137 30.866 -17.002 19.424 1.00 0.89 C
+ATOM 2844 CG LEU B 137 31.605 -17.526 18.180 1.00 0.89 C
+ATOM 2845 CD1 LEU B 137 33.034 -17.938 18.548 1.00 0.89 C
+ATOM 2846 CD2 LEU B 137 30.873 -18.711 17.545 1.00 0.89 C
+ATOM 2847 N ALA B 138 28.984 -15.125 21.200 1.00 0.89 N
+ATOM 2848 CA ALA B 138 28.187 -14.837 22.369 1.00 0.89 C
+ATOM 2849 C ALA B 138 26.746 -14.469 22.045 1.00 0.89 C
+ATOM 2850 O ALA B 138 25.812 -14.949 22.691 1.00 0.89 O
+ATOM 2851 CB ALA B 138 28.864 -13.724 23.181 1.00 0.89 C
+ATOM 2852 N THR B 139 26.529 -13.650 21.001 1.00 0.89 N
+ATOM 2853 CA THR B 139 25.208 -13.318 20.476 1.00 0.89 C
+ATOM 2854 C THR B 139 24.478 -14.523 19.922 1.00 0.89 C
+ATOM 2855 O THR B 139 23.295 -14.733 20.184 1.00 0.89 O
+ATOM 2856 CB THR B 139 25.261 -12.259 19.389 1.00 0.89 C
+ATOM 2857 OG1 THR B 139 26.207 -11.275 19.751 1.00 0.89 O
+ATOM 2858 CG2 THR B 139 23.913 -11.545 19.244 1.00 0.89 C
+ATOM 2859 N SER B 140 25.187 -15.396 19.171 1.00 0.90 N
+ATOM 2860 CA SER B 140 24.631 -16.647 18.647 1.00 0.90 C
+ATOM 2861 C SER B 140 24.182 -17.575 19.751 1.00 0.90 C
+ATOM 2862 O SER B 140 23.078 -18.121 19.740 1.00 0.90 O
+ATOM 2863 CB SER B 140 25.650 -17.377 17.724 1.00 0.90 C
+ATOM 2864 OG SER B 140 25.215 -18.686 17.334 1.00 0.90 O
+ATOM 2865 N SER B 141 25.013 -17.716 20.794 1.00 0.87 N
+ATOM 2866 CA SER B 141 24.654 -18.450 21.990 1.00 0.87 C
+ATOM 2867 C SER B 141 23.452 -17.880 22.701 1.00 0.87 C
+ATOM 2868 O SER B 141 22.568 -18.623 23.116 1.00 0.87 O
+ATOM 2869 CB SER B 141 25.848 -18.536 22.961 1.00 0.87 C
+ATOM 2870 OG SER B 141 26.861 -19.373 22.394 1.00 0.87 O
+ATOM 2871 N ARG B 142 23.347 -16.544 22.819 1.00 0.82 N
+ATOM 2872 CA ARG B 142 22.179 -15.915 23.399 1.00 0.82 C
+ATOM 2873 C ARG B 142 20.896 -16.151 22.620 1.00 0.82 C
+ATOM 2874 O ARG B 142 19.870 -16.502 23.202 1.00 0.82 O
+ATOM 2875 CB ARG B 142 22.403 -14.397 23.573 1.00 0.82 C
+ATOM 2876 CG ARG B 142 21.295 -13.671 24.365 1.00 0.82 C
+ATOM 2877 CD ARG B 142 21.046 -14.288 25.747 1.00 0.82 C
+ATOM 2878 NE ARG B 142 20.197 -13.354 26.546 1.00 0.82 N
+ATOM 2879 CZ ARG B 142 19.387 -13.741 27.542 1.00 0.82 C
+ATOM 2880 NH1 ARG B 142 19.295 -15.015 27.912 1.00 0.82 N
+ATOM 2881 NH2 ARG B 142 18.647 -12.843 28.184 1.00 0.82 N
+ATOM 2882 N PHE B 143 20.933 -16.024 21.279 1.00 0.88 N
+ATOM 2883 CA PHE B 143 19.797 -16.324 20.426 1.00 0.88 C
+ATOM 2884 C PHE B 143 19.364 -17.782 20.520 1.00 0.88 C
+ATOM 2885 O PHE B 143 18.173 -18.080 20.597 1.00 0.88 O
+ATOM 2886 CB PHE B 143 20.095 -15.984 18.940 1.00 0.88 C
+ATOM 2887 CG PHE B 143 20.039 -14.520 18.565 1.00 0.88 C
+ATOM 2888 CD1 PHE B 143 19.720 -13.469 19.448 1.00 0.88 C
+ATOM 2889 CD2 PHE B 143 20.269 -14.206 17.215 1.00 0.88 C
+ATOM 2890 CE1 PHE B 143 19.625 -12.149 18.982 1.00 0.88 C
+ATOM 2891 CE2 PHE B 143 20.190 -12.888 16.749 1.00 0.88 C
+ATOM 2892 CZ PHE B 143 19.861 -11.857 17.634 1.00 0.88 C
+ATOM 2893 N ARG B 144 20.329 -18.726 20.562 1.00 0.84 N
+ATOM 2894 CA ARG B 144 20.055 -20.138 20.767 1.00 0.84 C
+ATOM 2895 C ARG B 144 19.408 -20.438 22.113 1.00 0.84 C
+ATOM 2896 O ARG B 144 18.416 -21.156 22.185 1.00 0.84 O
+ATOM 2897 CB ARG B 144 21.353 -20.959 20.586 1.00 0.84 C
+ATOM 2898 CG ARG B 144 21.193 -22.486 20.755 1.00 0.84 C
+ATOM 2899 CD ARG B 144 22.414 -23.339 20.362 1.00 0.84 C
+ATOM 2900 NE ARG B 144 23.616 -22.908 21.149 1.00 0.84 N
+ATOM 2901 CZ ARG B 144 24.568 -22.076 20.701 1.00 0.84 C
+ATOM 2902 NH1 ARG B 144 24.535 -21.540 19.487 1.00 0.84 N
+ATOM 2903 NH2 ARG B 144 25.562 -21.769 21.531 1.00 0.84 N
+ATOM 2904 N MET B 145 19.910 -19.845 23.216 1.00 0.88 N
+ATOM 2905 CA MET B 145 19.328 -19.999 24.542 1.00 0.88 C
+ATOM 2906 C MET B 145 17.920 -19.443 24.658 1.00 0.88 C
+ATOM 2907 O MET B 145 17.062 -19.993 25.340 1.00 0.88 O
+ATOM 2908 CB MET B 145 20.199 -19.312 25.616 1.00 0.88 C
+ATOM 2909 CG MET B 145 21.541 -20.016 25.876 1.00 0.88 C
+ATOM 2910 SD MET B 145 22.649 -19.066 26.963 1.00 0.88 S
+ATOM 2911 CE MET B 145 21.756 -19.404 28.511 1.00 0.88 C
+ATOM 2912 N MET B 146 17.641 -18.318 23.976 1.00 0.87 N
+ATOM 2913 CA MET B 146 16.333 -17.703 23.996 1.00 0.87 C
+ATOM 2914 C MET B 146 15.357 -18.366 23.040 1.00 0.87 C
+ATOM 2915 O MET B 146 14.168 -18.045 23.066 1.00 0.87 O
+ATOM 2916 CB MET B 146 16.434 -16.203 23.627 1.00 0.87 C
+ATOM 2917 CG MET B 146 17.126 -15.357 24.713 1.00 0.87 C
+ATOM 2918 SD MET B 146 17.272 -13.589 24.306 1.00 0.87 S
+ATOM 2919 CE MET B 146 15.520 -13.165 24.511 1.00 0.87 C
+ATOM 2920 N ASN B 147 15.832 -19.276 22.161 1.00 0.88 N
+ATOM 2921 CA ASN B 147 15.057 -19.880 21.093 1.00 0.88 C
+ATOM 2922 C ASN B 147 14.414 -18.824 20.195 1.00 0.88 C
+ATOM 2923 O ASN B 147 13.194 -18.758 20.042 1.00 0.88 O
+ATOM 2924 CB ASN B 147 14.061 -20.935 21.649 1.00 0.88 C
+ATOM 2925 CG ASN B 147 13.522 -21.839 20.548 1.00 0.88 C
+ATOM 2926 OD1 ASN B 147 14.198 -22.141 19.565 1.00 0.88 O
+ATOM 2927 ND2 ASN B 147 12.262 -22.304 20.707 1.00 0.88 N
+ATOM 2928 N LEU B 148 15.243 -17.916 19.638 1.00 0.90 N
+ATOM 2929 CA LEU B 148 14.785 -16.843 18.772 1.00 0.90 C
+ATOM 2930 C LEU B 148 14.044 -17.350 17.540 1.00 0.90 C
+ATOM 2931 O LEU B 148 14.541 -18.182 16.784 1.00 0.90 O
+ATOM 2932 CB LEU B 148 15.968 -15.946 18.326 1.00 0.90 C
+ATOM 2933 CG LEU B 148 15.555 -14.642 17.611 1.00 0.90 C
+ATOM 2934 CD1 LEU B 148 14.984 -13.624 18.602 1.00 0.90 C
+ATOM 2935 CD2 LEU B 148 16.742 -14.004 16.885 1.00 0.90 C
+ATOM 2936 N GLN B 149 12.813 -16.865 17.311 1.00 0.88 N
+ATOM 2937 CA GLN B 149 12.023 -17.297 16.178 1.00 0.88 C
+ATOM 2938 C GLN B 149 12.297 -16.452 14.953 1.00 0.88 C
+ATOM 2939 O GLN B 149 12.833 -15.344 15.028 1.00 0.88 O
+ATOM 2940 CB GLN B 149 10.518 -17.313 16.518 1.00 0.88 C
+ATOM 2941 CG GLN B 149 10.183 -18.251 17.702 1.00 0.88 C
+ATOM 2942 CD GLN B 149 10.551 -19.705 17.401 1.00 0.88 C
+ATOM 2943 OE1 GLN B 149 9.938 -20.380 16.574 1.00 0.88 O
+ATOM 2944 NE2 GLN B 149 11.593 -20.223 18.091 1.00 0.88 N
+ATOM 2945 N GLY B 150 11.946 -16.961 13.752 1.00 0.91 N
+ATOM 2946 CA GLY B 150 12.268 -16.274 12.502 1.00 0.91 C
+ATOM 2947 C GLY B 150 11.529 -14.978 12.362 1.00 0.91 C
+ATOM 2948 O GLY B 150 12.065 -13.977 11.898 1.00 0.91 O
+ATOM 2949 N GLU B 151 10.287 -14.956 12.858 1.00 0.89 N
+ATOM 2950 CA GLU B 151 9.460 -13.784 12.976 1.00 0.89 C
+ATOM 2951 C GLU B 151 10.070 -12.717 13.867 1.00 0.89 C
+ATOM 2952 O GLU B 151 10.052 -11.526 13.560 1.00 0.89 O
+ATOM 2953 CB GLU B 151 8.082 -14.197 13.531 1.00 0.89 C
+ATOM 2954 CG GLU B 151 7.309 -15.158 12.598 1.00 0.89 C
+ATOM 2955 CD GLU B 151 7.464 -16.630 12.975 1.00 0.89 C
+ATOM 2956 OE1 GLU B 151 8.623 -17.079 13.176 1.00 0.89 O
+ATOM 2957 OE2 GLU B 151 6.397 -17.296 13.075 1.00 0.89 O
+ATOM 2958 N GLU B 152 10.669 -13.125 14.997 1.00 0.91 N
+ATOM 2959 CA GLU B 152 11.385 -12.218 15.866 1.00 0.91 C
+ATOM 2960 C GLU B 152 12.645 -11.655 15.242 1.00 0.91 C
+ATOM 2961 O GLU B 152 12.909 -10.456 15.312 1.00 0.91 O
+ATOM 2962 CB GLU B 152 11.736 -12.901 17.195 1.00 0.91 C
+ATOM 2963 CG GLU B 152 10.483 -13.368 17.961 1.00 0.91 C
+ATOM 2964 CD GLU B 152 10.865 -14.112 19.226 1.00 0.91 C
+ATOM 2965 OE1 GLU B 152 11.637 -15.107 19.157 1.00 0.91 O
+ATOM 2966 OE2 GLU B 152 10.412 -13.697 20.323 1.00 0.91 O
+ATOM 2967 N PHE B 153 13.436 -12.506 14.562 1.00 0.94 N
+ATOM 2968 CA PHE B 153 14.637 -12.102 13.864 1.00 0.94 C
+ATOM 2969 C PHE B 153 14.378 -11.062 12.781 1.00 0.94 C
+ATOM 2970 O PHE B 153 15.070 -10.045 12.715 1.00 0.94 O
+ATOM 2971 CB PHE B 153 15.291 -13.382 13.275 1.00 0.94 C
+ATOM 2972 CG PHE B 153 16.384 -13.111 12.279 1.00 0.94 C
+ATOM 2973 CD1 PHE B 153 17.581 -12.493 12.667 1.00 0.94 C
+ATOM 2974 CD2 PHE B 153 16.175 -13.418 10.925 1.00 0.94 C
+ATOM 2975 CE1 PHE B 153 18.547 -12.173 11.705 1.00 0.94 C
+ATOM 2976 CE2 PHE B 153 17.146 -13.112 9.967 1.00 0.94 C
+ATOM 2977 CZ PHE B 153 18.332 -12.480 10.357 1.00 0.94 C
+ATOM 2978 N VAL B 154 13.358 -11.258 11.924 1.00 0.94 N
+ATOM 2979 CA VAL B 154 13.075 -10.307 10.863 1.00 0.94 C
+ATOM 2980 C VAL B 154 12.636 -8.951 11.392 1.00 0.94 C
+ATOM 2981 O VAL B 154 13.053 -7.911 10.883 1.00 0.94 O
+ATOM 2982 CB VAL B 154 12.135 -10.834 9.792 1.00 0.94 C
+ATOM 2983 CG1 VAL B 154 12.761 -12.074 9.134 1.00 0.94 C
+ATOM 2984 CG2 VAL B 154 10.746 -11.166 10.355 1.00 0.94 C
+ATOM 2985 N CYS B 155 11.839 -8.924 12.482 1.00 0.94 N
+ATOM 2986 CA CYS B 155 11.520 -7.696 13.187 1.00 0.94 C
+ATOM 2987 C CYS B 155 12.729 -6.997 13.782 1.00 0.94 C
+ATOM 2988 O CYS B 155 12.889 -5.789 13.649 1.00 0.94 O
+ATOM 2989 CB CYS B 155 10.489 -7.952 14.305 1.00 0.94 C
+ATOM 2990 SG CYS B 155 8.848 -8.307 13.585 1.00 0.94 S
+ATOM 2991 N LEU B 156 13.656 -7.728 14.426 1.00 0.94 N
+ATOM 2992 CA LEU B 156 14.879 -7.138 14.943 1.00 0.94 C
+ATOM 2993 C LEU B 156 15.753 -6.545 13.853 1.00 0.94 C
+ATOM 2994 O LEU B 156 16.288 -5.448 13.988 1.00 0.94 O
+ATOM 2995 CB LEU B 156 15.715 -8.167 15.740 1.00 0.94 C
+ATOM 2996 CG LEU B 156 15.099 -8.598 17.086 1.00 0.94 C
+ATOM 2997 CD1 LEU B 156 15.944 -9.709 17.727 1.00 0.94 C
+ATOM 2998 CD2 LEU B 156 14.959 -7.417 18.058 1.00 0.94 C
+ATOM 2999 N LYS B 157 15.882 -7.246 12.715 1.00 0.93 N
+ATOM 3000 CA LYS B 157 16.628 -6.770 11.570 1.00 0.93 C
+ATOM 3001 C LYS B 157 16.042 -5.501 10.953 1.00 0.93 C
+ATOM 3002 O LYS B 157 16.762 -4.558 10.629 1.00 0.93 O
+ATOM 3003 CB LYS B 157 16.767 -7.925 10.550 1.00 0.93 C
+ATOM 3004 CG LYS B 157 17.852 -7.729 9.482 1.00 0.93 C
+ATOM 3005 CD LYS B 157 18.157 -9.007 8.673 1.00 0.93 C
+ATOM 3006 CE LYS B 157 16.916 -9.664 8.057 1.00 0.93 C
+ATOM 3007 NZ LYS B 157 17.285 -10.762 7.150 1.00 0.93 N
+ATOM 3008 N SER B 158 14.703 -5.400 10.820 1.00 0.95 N
+ATOM 3009 CA SER B 158 14.058 -4.155 10.420 1.00 0.95 C
+ATOM 3010 C SER B 158 14.210 -3.014 11.413 1.00 0.95 C
+ATOM 3011 O SER B 158 14.432 -1.870 11.020 1.00 0.95 O
+ATOM 3012 CB SER B 158 12.577 -4.334 10.015 1.00 0.95 C
+ATOM 3013 OG SER B 158 11.780 -4.804 11.097 1.00 0.95 O
+ATOM 3014 N ILE B 159 14.157 -3.292 12.731 1.00 0.91 N
+ATOM 3015 CA ILE B 159 14.462 -2.313 13.768 1.00 0.91 C
+ATOM 3016 C ILE B 159 15.889 -1.783 13.664 1.00 0.91 C
+ATOM 3017 O ILE B 159 16.110 -0.577 13.753 1.00 0.91 O
+ATOM 3018 CB ILE B 159 14.189 -2.873 15.162 1.00 0.91 C
+ATOM 3019 CG1 ILE B 159 12.672 -3.049 15.390 1.00 0.91 C
+ATOM 3020 CG2 ILE B 159 14.768 -1.956 16.257 1.00 0.91 C
+ATOM 3021 CD1 ILE B 159 12.341 -3.948 16.588 1.00 0.91 C
+ATOM 3022 N ILE B 160 16.897 -2.649 13.411 1.00 0.91 N
+ATOM 3023 CA ILE B 160 18.280 -2.222 13.201 1.00 0.91 C
+ATOM 3024 C ILE B 160 18.404 -1.253 12.036 1.00 0.91 C
+ATOM 3025 O ILE B 160 19.027 -0.205 12.155 1.00 0.91 O
+ATOM 3026 CB ILE B 160 19.218 -3.411 12.985 1.00 0.91 C
+ATOM 3027 CG1 ILE B 160 19.394 -4.214 14.292 1.00 0.91 C
+ATOM 3028 CG2 ILE B 160 20.602 -2.948 12.479 1.00 0.91 C
+ATOM 3029 CD1 ILE B 160 20.106 -5.556 14.085 1.00 0.91 C
+ATOM 3030 N LEU B 161 17.748 -1.535 10.891 1.00 0.91 N
+ATOM 3031 CA LEU B 161 17.784 -0.653 9.738 1.00 0.91 C
+ATOM 3032 C LEU B 161 17.239 0.736 10.028 1.00 0.91 C
+ATOM 3033 O LEU B 161 17.817 1.740 9.630 1.00 0.91 O
+ATOM 3034 CB LEU B 161 16.981 -1.292 8.580 1.00 0.91 C
+ATOM 3035 CG LEU B 161 16.844 -0.451 7.293 1.00 0.91 C
+ATOM 3036 CD1 LEU B 161 18.200 -0.211 6.617 1.00 0.91 C
+ATOM 3037 CD2 LEU B 161 15.874 -1.128 6.314 1.00 0.91 C
+ATOM 3038 N LEU B 162 16.113 0.829 10.750 1.00 0.88 N
+ATOM 3039 CA LEU B 162 15.457 2.095 10.994 1.00 0.88 C
+ATOM 3040 C LEU B 162 16.011 2.863 12.188 1.00 0.88 C
+ATOM 3041 O LEU B 162 15.901 4.083 12.252 1.00 0.88 O
+ATOM 3042 CB LEU B 162 13.955 1.833 11.210 1.00 0.88 C
+ATOM 3043 CG LEU B 162 13.229 1.226 9.993 1.00 0.88 C
+ATOM 3044 CD1 LEU B 162 11.836 0.770 10.421 1.00 0.88 C
+ATOM 3045 CD2 LEU B 162 13.135 2.201 8.812 1.00 0.88 C
+ATOM 3046 N ASN B 163 16.666 2.184 13.151 1.00 0.85 N
+ATOM 3047 CA ASN B 163 17.223 2.829 14.330 1.00 0.85 C
+ATOM 3048 C ASN B 163 18.717 3.117 14.160 1.00 0.85 C
+ATOM 3049 O ASN B 163 19.381 3.619 15.063 1.00 0.85 O
+ATOM 3050 CB ASN B 163 16.979 1.917 15.565 1.00 0.85 C
+ATOM 3051 CG ASN B 163 17.302 2.622 16.878 1.00 0.85 C
+ATOM 3052 OD1 ASN B 163 16.799 3.707 17.174 1.00 0.85 O
+ATOM 3053 ND2 ASN B 163 18.181 2.000 17.698 1.00 0.85 N
+ATOM 3054 N SER B 164 19.296 2.813 12.990 1.00 0.85 N
+ATOM 3055 CA SER B 164 20.715 2.989 12.721 1.00 0.85 C
+ATOM 3056 C SER B 164 21.202 4.424 12.669 1.00 0.85 C
+ATOM 3057 O SER B 164 22.314 4.736 13.090 1.00 0.85 O
+ATOM 3058 CB SER B 164 21.120 2.299 11.405 1.00 0.85 C
+ATOM 3059 OG SER B 164 20.503 2.909 10.264 1.00 0.85 O
+ATOM 3060 N GLY B 165 20.386 5.333 12.093 1.00 0.78 N
+ATOM 3061 CA GLY B 165 20.700 6.745 11.890 1.00 0.78 C
+ATOM 3062 C GLY B 165 21.294 7.458 13.079 1.00 0.78 C
+ATOM 3063 O GLY B 165 20.689 7.555 14.143 1.00 0.78 O
+ATOM 3064 N VAL B 166 22.520 7.991 12.915 1.00 0.47 N
+ATOM 3065 CA VAL B 166 23.205 8.731 13.957 1.00 0.47 C
+ATOM 3066 C VAL B 166 22.470 9.995 14.374 1.00 0.47 C
+ATOM 3067 O VAL B 166 21.932 10.733 13.547 1.00 0.47 O
+ATOM 3068 CB VAL B 166 24.658 9.011 13.583 1.00 0.47 C
+ATOM 3069 CG1 VAL B 166 24.761 10.098 12.495 1.00 0.47 C
+ATOM 3070 CG2 VAL B 166 25.465 9.415 14.827 1.00 0.47 C
+ATOM 3071 N TYR B 167 22.393 10.249 15.692 1.00 0.44 N
+ATOM 3072 CA TYR B 167 21.717 11.404 16.236 1.00 0.44 C
+ATOM 3073 C TYR B 167 22.386 12.722 15.852 1.00 0.44 C
+ATOM 3074 O TYR B 167 23.591 12.903 16.006 1.00 0.44 O
+ATOM 3075 CB TYR B 167 21.592 11.303 17.780 1.00 0.44 C
+ATOM 3076 CG TYR B 167 20.559 10.327 18.296 1.00 0.44 C
+ATOM 3077 CD1 TYR B 167 19.713 9.553 17.479 1.00 0.44 C
+ATOM 3078 CD2 TYR B 167 20.397 10.237 19.688 1.00 0.44 C
+ATOM 3079 CE1 TYR B 167 18.726 8.733 18.045 1.00 0.44 C
+ATOM 3080 CE2 TYR B 167 19.420 9.410 20.258 1.00 0.44 C
+ATOM 3081 CZ TYR B 167 18.581 8.662 19.430 1.00 0.44 C
+ATOM 3082 OH TYR B 167 17.608 7.820 19.995 1.00 0.44 O
+ATOM 3083 N THR B 168 21.583 13.678 15.352 1.00 0.42 N
+ATOM 3084 CA THR B 168 22.060 14.945 14.813 1.00 0.42 C
+ATOM 3085 C THR B 168 21.338 16.071 15.509 1.00 0.42 C
+ATOM 3086 O THR B 168 20.116 16.028 15.661 1.00 0.42 O
+ATOM 3087 CB THR B 168 21.767 15.074 13.326 1.00 0.42 C
+ATOM 3088 OG1 THR B 168 22.446 14.054 12.612 1.00 0.42 O
+ATOM 3089 CG2 THR B 168 22.260 16.404 12.743 1.00 0.42 C
+ATOM 3090 N PHE B 169 22.060 17.116 15.965 1.00 0.34 N
+ATOM 3091 CA PHE B 169 21.471 18.173 16.771 1.00 0.34 C
+ATOM 3092 C PHE B 169 21.395 19.516 16.051 1.00 0.34 C
+ATOM 3093 O PHE B 169 20.875 20.500 16.577 1.00 0.34 O
+ATOM 3094 CB PHE B 169 22.322 18.299 18.058 1.00 0.34 C
+ATOM 3095 CG PHE B 169 21.737 19.274 19.037 1.00 0.34 C
+ATOM 3096 CD1 PHE B 169 22.423 20.461 19.315 1.00 0.34 C
+ATOM 3097 CD2 PHE B 169 20.472 19.072 19.607 1.00 0.34 C
+ATOM 3098 CE1 PHE B 169 21.830 21.461 20.094 1.00 0.34 C
+ATOM 3099 CE2 PHE B 169 19.886 20.067 20.398 1.00 0.34 C
+ATOM 3100 CZ PHE B 169 20.552 21.272 20.622 1.00 0.34 C
+ATOM 3101 N LEU B 170 21.870 19.604 14.806 1.00 0.36 N
+ATOM 3102 CA LEU B 170 22.012 20.864 14.122 1.00 0.36 C
+ATOM 3103 C LEU B 170 21.497 20.812 12.710 1.00 0.36 C
+ATOM 3104 O LEU B 170 21.389 19.747 12.105 1.00 0.36 O
+ATOM 3105 CB LEU B 170 23.475 21.363 14.116 1.00 0.36 C
+ATOM 3106 CG LEU B 170 24.458 20.607 13.196 1.00 0.36 C
+ATOM 3107 CD1 LEU B 170 25.699 21.472 12.960 1.00 0.36 C
+ATOM 3108 CD2 LEU B 170 24.861 19.250 13.787 1.00 0.36 C
+ATOM 3109 N SER B 171 21.153 21.996 12.158 1.00 0.39 N
+ATOM 3110 CA SER B 171 20.803 22.183 10.754 1.00 0.39 C
+ATOM 3111 C SER B 171 19.715 21.265 10.239 1.00 0.39 C
+ATOM 3112 O SER B 171 19.777 20.730 9.136 1.00 0.39 O
+ATOM 3113 CB SER B 171 22.042 22.089 9.844 1.00 0.39 C
+ATOM 3114 OG SER B 171 23.006 23.065 10.246 1.00 0.39 O
+ATOM 3115 N SER B 172 18.665 21.080 11.057 1.00 0.64 N
+ATOM 3116 CA SER B 172 17.582 20.165 10.749 1.00 0.64 C
+ATOM 3117 C SER B 172 16.540 20.873 9.919 1.00 0.64 C
+ATOM 3118 O SER B 172 16.196 22.025 10.172 1.00 0.64 O
+ATOM 3119 CB SER B 172 16.900 19.616 12.027 1.00 0.64 C
+ATOM 3120 OG SER B 172 16.071 18.474 11.776 1.00 0.64 O
+ATOM 3121 N THR B 173 16.003 20.202 8.895 1.00 0.70 N
+ATOM 3122 CA THR B 173 15.094 20.807 7.945 1.00 0.70 C
+ATOM 3123 C THR B 173 13.735 20.180 8.099 1.00 0.70 C
+ATOM 3124 O THR B 173 13.542 19.213 8.831 1.00 0.70 O
+ATOM 3125 CB THR B 173 15.545 20.681 6.487 1.00 0.70 C
+ATOM 3126 OG1 THR B 173 15.507 19.342 6.003 1.00 0.70 O
+ATOM 3127 CG2 THR B 173 16.990 21.174 6.334 1.00 0.70 C
+ATOM 3128 N LEU B 174 12.724 20.717 7.393 1.00 0.74 N
+ATOM 3129 CA LEU B 174 11.376 20.181 7.412 1.00 0.74 C
+ATOM 3130 C LEU B 174 11.329 18.737 6.920 1.00 0.74 C
+ATOM 3131 O LEU B 174 10.697 17.875 7.519 1.00 0.74 O
+ATOM 3132 CB LEU B 174 10.457 21.118 6.587 1.00 0.74 C
+ATOM 3133 CG LEU B 174 9.094 21.455 7.227 1.00 0.74 C
+ATOM 3134 CD1 LEU B 174 9.255 22.137 8.595 1.00 0.74 C
+ATOM 3135 CD2 LEU B 174 8.300 22.381 6.292 1.00 0.74 C
+ATOM 3136 N LYS B 175 12.108 18.446 5.858 1.00 0.68 N
+ATOM 3137 CA LYS B 175 12.318 17.120 5.313 1.00 0.68 C
+ATOM 3138 C LYS B 175 12.950 16.136 6.295 1.00 0.68 C
+ATOM 3139 O LYS B 175 12.465 15.024 6.469 1.00 0.68 O
+ATOM 3140 CB LYS B 175 13.215 17.281 4.055 1.00 0.68 C
+ATOM 3141 CG LYS B 175 13.560 15.989 3.300 1.00 0.68 C
+ATOM 3142 CD LYS B 175 14.471 16.254 2.085 1.00 0.68 C
+ATOM 3143 CE LYS B 175 14.877 14.966 1.374 1.00 0.68 C
+ATOM 3144 NZ LYS B 175 15.807 15.219 0.263 1.00 0.68 N
+ATOM 3145 N SER B 176 14.029 16.518 7.016 1.00 0.70 N
+ATOM 3146 CA SER B 176 14.627 15.624 8.000 1.00 0.70 C
+ATOM 3147 C SER B 176 13.761 15.389 9.215 1.00 0.70 C
+ATOM 3148 O SER B 176 13.761 14.307 9.797 1.00 0.70 O
+ATOM 3149 CB SER B 176 16.054 16.043 8.445 1.00 0.70 C
+ATOM 3150 OG SER B 176 16.118 17.337 9.048 1.00 0.70 O
+ATOM 3151 N LEU B 177 12.979 16.393 9.646 1.00 0.71 N
+ATOM 3152 CA LEU B 177 11.985 16.192 10.682 1.00 0.71 C
+ATOM 3153 C LEU B 177 10.844 15.268 10.260 1.00 0.71 C
+ATOM 3154 O LEU B 177 10.493 14.349 10.994 1.00 0.71 O
+ATOM 3155 CB LEU B 177 11.436 17.547 11.171 1.00 0.71 C
+ATOM 3156 CG LEU B 177 12.488 18.452 11.847 1.00 0.71 C
+ATOM 3157 CD1 LEU B 177 11.907 19.855 12.052 1.00 0.71 C
+ATOM 3158 CD2 LEU B 177 12.961 17.882 13.193 1.00 0.71 C
+ATOM 3159 N GLU B 178 10.301 15.440 9.037 1.00 0.72 N
+ATOM 3160 CA GLU B 178 9.233 14.621 8.478 1.00 0.72 C
+ATOM 3161 C GLU B 178 9.576 13.145 8.420 1.00 0.72 C
+ATOM 3162 O GLU B 178 8.811 12.281 8.866 1.00 0.72 O
+ATOM 3163 CB GLU B 178 8.929 15.168 7.063 1.00 0.72 C
+ATOM 3164 CG GLU B 178 8.024 14.314 6.141 1.00 0.72 C
+ATOM 3165 CD GLU B 178 7.576 15.127 4.923 1.00 0.72 C
+ATOM 3166 OE1 GLU B 178 7.187 16.310 5.121 1.00 0.72 O
+ATOM 3167 OE2 GLU B 178 7.598 14.582 3.793 1.00 0.72 O
+ATOM 3168 N GLU B 179 10.790 12.826 7.947 1.00 0.74 N
+ATOM 3169 CA GLU B 179 11.292 11.476 7.950 1.00 0.74 C
+ATOM 3170 C GLU B 179 11.604 10.902 9.304 1.00 0.74 C
+ATOM 3171 O GLU B 179 11.336 9.737 9.573 1.00 0.74 O
+ATOM 3172 CB GLU B 179 12.492 11.342 7.003 1.00 0.74 C
+ATOM 3173 CG GLU B 179 12.104 11.684 5.551 1.00 0.74 C
+ATOM 3174 CD GLU B 179 10.987 10.808 4.998 1.00 0.74 C
+ATOM 3175 OE1 GLU B 179 10.583 9.817 5.646 1.00 0.74 O
+ATOM 3176 OE2 GLU B 179 10.574 11.089 3.848 1.00 0.74 O
+ATOM 3177 N LYS B 180 12.132 11.711 10.240 1.00 0.70 N
+ATOM 3178 CA LYS B 180 12.353 11.258 11.602 1.00 0.70 C
+ATOM 3179 C LYS B 180 11.065 10.827 12.289 1.00 0.70 C
+ATOM 3180 O LYS B 180 10.994 9.748 12.884 1.00 0.70 O
+ATOM 3181 CB LYS B 180 13.024 12.383 12.418 1.00 0.70 C
+ATOM 3182 CG LYS B 180 13.556 11.951 13.792 1.00 0.70 C
+ATOM 3183 CD LYS B 180 14.197 13.121 14.556 1.00 0.70 C
+ATOM 3184 CE LYS B 180 13.169 14.167 15.008 1.00 0.70 C
+ATOM 3185 NZ LYS B 180 13.842 15.238 15.777 1.00 0.70 N
+ATOM 3186 N ASP B 181 9.991 11.623 12.141 1.00 0.76 N
+ATOM 3187 CA ASP B 181 8.671 11.286 12.618 1.00 0.76 C
+ATOM 3188 C ASP B 181 8.106 10.029 11.941 1.00 0.76 C
+ATOM 3189 O ASP B 181 7.509 9.165 12.579 1.00 0.76 O
+ATOM 3190 CB ASP B 181 7.714 12.487 12.426 1.00 0.76 C
+ATOM 3191 CG ASP B 181 8.046 13.684 13.321 1.00 0.76 C
+ATOM 3192 OD1 ASP B 181 9.072 13.679 14.052 1.00 0.76 O
+ATOM 3193 OD2 ASP B 181 7.218 14.629 13.276 1.00 0.76 O
+ATOM 3194 N HIS B 182 8.314 9.865 10.609 1.00 0.80 N
+ATOM 3195 CA HIS B 182 7.940 8.645 9.906 1.00 0.80 C
+ATOM 3196 C HIS B 182 8.688 7.424 10.396 1.00 0.80 C
+ATOM 3197 O HIS B 182 8.077 6.389 10.664 1.00 0.80 O
+ATOM 3198 CB HIS B 182 8.090 8.778 8.372 1.00 0.80 C
+ATOM 3199 CG HIS B 182 7.293 7.768 7.586 1.00 0.80 C
+ATOM 3200 ND1 HIS B 182 5.915 7.910 7.474 1.00 0.80 N
+ATOM 3201 CD2 HIS B 182 7.707 6.678 6.888 1.00 0.80 C
+ATOM 3202 CE1 HIS B 182 5.538 6.909 6.692 1.00 0.80 C
+ATOM 3203 NE2 HIS B 182 6.581 6.135 6.317 1.00 0.80 N
+ATOM 3204 N ILE B 183 10.006 7.515 10.615 1.00 0.79 N
+ATOM 3205 CA ILE B 183 10.827 6.448 11.163 1.00 0.79 C
+ATOM 3206 C ILE B 183 10.377 6.047 12.562 1.00 0.79 C
+ATOM 3207 O ILE B 183 10.263 4.866 12.872 1.00 0.79 O
+ATOM 3208 CB ILE B 183 12.305 6.827 11.132 1.00 0.79 C
+ATOM 3209 CG1 ILE B 183 12.811 6.843 9.670 1.00 0.79 C
+ATOM 3210 CG2 ILE B 183 13.146 5.848 11.975 1.00 0.79 C
+ATOM 3211 CD1 ILE B 183 14.193 7.482 9.499 1.00 0.79 C
+ATOM 3212 N HIS B 184 10.045 7.030 13.432 1.00 0.78 N
+ATOM 3213 CA HIS B 184 9.479 6.745 14.743 1.00 0.78 C
+ATOM 3214 C HIS B 184 8.168 5.977 14.665 1.00 0.78 C
+ATOM 3215 O HIS B 184 8.012 4.953 15.325 1.00 0.78 O
+ATOM 3216 CB HIS B 184 9.274 8.038 15.574 1.00 0.78 C
+ATOM 3217 CG HIS B 184 10.556 8.675 16.039 1.00 0.78 C
+ATOM 3218 ND1 HIS B 184 10.532 9.964 16.540 1.00 0.78 N
+ATOM 3219 CD2 HIS B 184 11.830 8.205 16.042 1.00 0.78 C
+ATOM 3220 CE1 HIS B 184 11.781 10.257 16.814 1.00 0.78 C
+ATOM 3221 NE2 HIS B 184 12.616 9.226 16.538 1.00 0.78 N
+ATOM 3222 N ARG B 185 7.234 6.382 13.779 1.00 0.77 N
+ATOM 3223 CA ARG B 185 6.002 5.642 13.568 1.00 0.77 C
+ATOM 3224 C ARG B 185 6.213 4.222 13.049 1.00 0.77 C
+ATOM 3225 O ARG B 185 5.562 3.286 13.503 1.00 0.77 O
+ATOM 3226 CB ARG B 185 5.034 6.390 12.616 1.00 0.77 C
+ATOM 3227 CG ARG B 185 4.455 7.684 13.225 1.00 0.77 C
+ATOM 3228 CD ARG B 185 3.360 8.346 12.370 1.00 0.77 C
+ATOM 3229 NE ARG B 185 3.897 9.596 11.733 1.00 0.77 N
+ATOM 3230 CZ ARG B 185 4.290 9.702 10.457 1.00 0.77 C
+ATOM 3231 NH1 ARG B 185 4.242 8.660 9.639 1.00 0.77 N
+ATOM 3232 NH2 ARG B 185 4.731 10.872 10.001 1.00 0.77 N
+ATOM 3233 N VAL B 186 7.143 4.012 12.093 1.00 0.87 N
+ATOM 3234 CA VAL B 186 7.470 2.673 11.613 1.00 0.87 C
+ATOM 3235 C VAL B 186 8.074 1.792 12.710 1.00 0.87 C
+ATOM 3236 O VAL B 186 7.698 0.628 12.860 1.00 0.87 O
+ATOM 3237 CB VAL B 186 8.367 2.687 10.375 1.00 0.87 C
+ATOM 3238 CG1 VAL B 186 8.575 1.258 9.839 1.00 0.87 C
+ATOM 3239 CG2 VAL B 186 7.731 3.510 9.238 1.00 0.87 C
+ATOM 3240 N LEU B 187 8.989 2.327 13.548 1.00 0.89 N
+ATOM 3241 CA LEU B 187 9.556 1.599 14.677 1.00 0.89 C
+ATOM 3242 C LEU B 187 8.535 1.172 15.718 1.00 0.89 C
+ATOM 3243 O LEU B 187 8.554 0.031 16.182 1.00 0.89 O
+ATOM 3244 CB LEU B 187 10.656 2.423 15.386 1.00 0.89 C
+ATOM 3245 CG LEU B 187 12.008 2.456 14.650 1.00 0.89 C
+ATOM 3246 CD1 LEU B 187 12.923 3.518 15.272 1.00 0.89 C
+ATOM 3247 CD2 LEU B 187 12.703 1.087 14.692 1.00 0.89 C
+ATOM 3248 N ASP B 188 7.584 2.052 16.079 1.00 0.88 N
+ATOM 3249 CA ASP B 188 6.499 1.721 16.983 1.00 0.88 C
+ATOM 3250 C ASP B 188 5.621 0.598 16.451 1.00 0.88 C
+ATOM 3251 O ASP B 188 5.247 -0.326 17.170 1.00 0.88 O
+ATOM 3252 CB ASP B 188 5.643 2.975 17.253 1.00 0.88 C
+ATOM 3253 CG ASP B 188 6.390 3.966 18.131 1.00 0.88 C
+ATOM 3254 OD1 ASP B 188 7.320 3.554 18.876 1.00 0.88 O
+ATOM 3255 OD2 ASP B 188 6.010 5.163 18.107 1.00 0.88 O
+ATOM 3256 N LYS B 189 5.316 0.607 15.142 1.00 0.84 N
+ATOM 3257 CA LYS B 189 4.615 -0.490 14.514 1.00 0.84 C
+ATOM 3258 C LYS B 189 5.368 -1.814 14.494 1.00 0.84 C
+ATOM 3259 O LYS B 189 4.777 -2.870 14.705 1.00 0.84 O
+ATOM 3260 CB LYS B 189 4.161 -0.131 13.083 1.00 0.84 C
+ATOM 3261 CG LYS B 189 3.104 0.984 12.972 1.00 0.84 C
+ATOM 3262 CD LYS B 189 1.908 0.863 13.937 1.00 0.84 C
+ATOM 3263 CE LYS B 189 1.169 -0.478 13.882 1.00 0.84 C
+ATOM 3264 NZ LYS B 189 0.251 -0.588 15.031 1.00 0.84 N
+ATOM 3265 N ILE B 190 6.693 -1.822 14.253 1.00 0.90 N
+ATOM 3266 CA ILE B 190 7.484 -3.046 14.353 1.00 0.90 C
+ATOM 3267 C ILE B 190 7.537 -3.575 15.787 1.00 0.90 C
+ATOM 3268 O ILE B 190 7.430 -4.777 16.027 1.00 0.90 O
+ATOM 3269 CB ILE B 190 8.868 -2.906 13.732 1.00 0.90 C
+ATOM 3270 CG1 ILE B 190 8.761 -2.486 12.250 1.00 0.90 C
+ATOM 3271 CG2 ILE B 190 9.626 -4.248 13.804 1.00 0.90 C
+ATOM 3272 CD1 ILE B 190 10.062 -1.895 11.713 1.00 0.90 C
+ATOM 3273 N THR B 191 7.627 -2.681 16.793 1.00 0.88 N
+ATOM 3274 CA THR B 191 7.468 -3.024 18.209 1.00 0.88 C
+ATOM 3275 C THR B 191 6.122 -3.646 18.528 1.00 0.88 C
+ATOM 3276 O THR B 191 6.066 -4.689 19.181 1.00 0.88 O
+ATOM 3277 CB THR B 191 7.669 -1.817 19.108 1.00 0.88 C
+ATOM 3278 OG1 THR B 191 9.009 -1.360 18.982 1.00 0.88 O
+ATOM 3279 CG2 THR B 191 7.458 -2.150 20.593 1.00 0.88 C
+ATOM 3280 N ASP B 192 5.003 -3.085 18.007 1.00 0.85 N
+ATOM 3281 CA ASP B 192 3.684 -3.688 18.141 1.00 0.85 C
+ATOM 3282 C ASP B 192 3.653 -5.105 17.579 1.00 0.85 C
+ATOM 3283 O ASP B 192 3.160 -6.046 18.199 1.00 0.85 O
+ATOM 3284 CB ASP B 192 2.608 -2.891 17.349 1.00 0.85 C
+ATOM 3285 CG ASP B 192 2.232 -1.564 17.974 1.00 0.85 C
+ATOM 3286 OD1 ASP B 192 2.609 -1.265 19.126 1.00 0.85 O
+ATOM 3287 OD2 ASP B 192 1.472 -0.817 17.292 1.00 0.85 O
+ATOM 3288 N THR B 193 4.236 -5.298 16.384 1.00 0.87 N
+ATOM 3289 CA THR B 193 4.320 -6.592 15.726 1.00 0.87 C
+ATOM 3290 C THR B 193 5.124 -7.607 16.503 1.00 0.87 C
+ATOM 3291 O THR B 193 4.710 -8.754 16.665 1.00 0.87 O
+ATOM 3292 CB THR B 193 4.912 -6.481 14.333 1.00 0.87 C
+ATOM 3293 OG1 THR B 193 4.073 -5.669 13.528 1.00 0.87 O
+ATOM 3294 CG2 THR B 193 4.995 -7.847 13.644 1.00 0.87 C
+ATOM 3295 N LEU B 194 6.290 -7.204 17.043 1.00 0.86 N
+ATOM 3296 CA LEU B 194 7.148 -8.063 17.839 1.00 0.86 C
+ATOM 3297 C LEU B 194 6.462 -8.554 19.110 1.00 0.86 C
+ATOM 3298 O LEU B 194 6.471 -9.745 19.416 1.00 0.86 O
+ATOM 3299 CB LEU B 194 8.488 -7.330 18.110 1.00 0.86 C
+ATOM 3300 CG LEU B 194 9.627 -8.153 18.747 1.00 0.86 C
+ATOM 3301 CD1 LEU B 194 9.920 -9.448 17.980 1.00 0.86 C
+ATOM 3302 CD2 LEU B 194 10.911 -7.310 18.820 1.00 0.86 C
+ATOM 3303 N ILE B 195 5.758 -7.660 19.829 1.00 0.84 N
+ATOM 3304 CA ILE B 195 4.906 -8.023 20.954 1.00 0.84 C
+ATOM 3305 C ILE B 195 3.739 -8.918 20.564 1.00 0.84 C
+ATOM 3306 O ILE B 195 3.446 -9.912 21.228 1.00 0.84 O
+ATOM 3307 CB ILE B 195 4.405 -6.758 21.635 1.00 0.84 C
+ATOM 3308 CG1 ILE B 195 5.538 -6.097 22.455 1.00 0.84 C
+ATOM 3309 CG2 ILE B 195 3.154 -7.007 22.505 1.00 0.84 C
+ATOM 3310 CD1 ILE B 195 5.843 -6.782 23.795 1.00 0.84 C
+ATOM 3311 N HIS B 196 3.052 -8.619 19.443 1.00 0.80 N
+ATOM 3312 CA HIS B 196 1.924 -9.402 18.971 1.00 0.80 C
+ATOM 3313 C HIS B 196 2.296 -10.835 18.652 1.00 0.80 C
+ATOM 3314 O HIS B 196 1.570 -11.774 18.966 1.00 0.80 O
+ATOM 3315 CB HIS B 196 1.288 -8.754 17.726 1.00 0.80 C
+ATOM 3316 CG HIS B 196 0.074 -9.475 17.232 1.00 0.80 C
+ATOM 3317 ND1 HIS B 196 -1.076 -9.443 17.990 1.00 0.80 N
+ATOM 3318 CD2 HIS B 196 -0.094 -10.278 16.151 1.00 0.80 C
+ATOM 3319 CE1 HIS B 196 -1.926 -10.225 17.360 1.00 0.80 C
+ATOM 3320 NE2 HIS B 196 -1.383 -10.759 16.239 1.00 0.80 N
+ATOM 3321 N LEU B 197 3.479 -11.056 18.052 1.00 0.86 N
+ATOM 3322 CA LEU B 197 4.007 -12.388 17.837 1.00 0.86 C
+ATOM 3323 C LEU B 197 4.217 -13.166 19.127 1.00 0.86 C
+ATOM 3324 O LEU B 197 3.828 -14.327 19.228 1.00 0.86 O
+ATOM 3325 CB LEU B 197 5.342 -12.306 17.075 1.00 0.86 C
+ATOM 3326 CG LEU B 197 5.194 -11.836 15.618 1.00 0.86 C
+ATOM 3327 CD1 LEU B 197 6.542 -11.321 15.101 1.00 0.86 C
+ATOM 3328 CD2 LEU B 197 4.648 -12.954 14.718 1.00 0.86 C
+ATOM 3329 N MET B 198 4.781 -12.525 20.168 1.00 0.83 N
+ATOM 3330 CA MET B 198 4.933 -13.127 21.478 1.00 0.83 C
+ATOM 3331 C MET B 198 3.608 -13.465 22.143 1.00 0.83 C
+ATOM 3332 O MET B 198 3.431 -14.545 22.703 1.00 0.83 O
+ATOM 3333 CB MET B 198 5.732 -12.194 22.408 1.00 0.83 C
+ATOM 3334 CG MET B 198 7.168 -11.944 21.932 1.00 0.83 C
+ATOM 3335 SD MET B 198 8.048 -10.771 23.002 1.00 0.83 S
+ATOM 3336 CE MET B 198 9.457 -10.599 21.878 1.00 0.83 C
+ATOM 3337 N ALA B 199 2.624 -12.552 22.063 1.00 0.87 N
+ATOM 3338 CA ALA B 199 1.285 -12.775 22.559 1.00 0.87 C
+ATOM 3339 C ALA B 199 0.544 -13.897 21.837 1.00 0.87 C
+ATOM 3340 O ALA B 199 -0.051 -14.770 22.462 1.00 0.87 O
+ATOM 3341 CB ALA B 199 0.508 -11.452 22.477 1.00 0.87 C
+ATOM 3342 N LYS B 200 0.640 -13.949 20.492 1.00 0.79 N
+ATOM 3343 CA LYS B 200 0.148 -15.041 19.667 1.00 0.79 C
+ATOM 3344 C LYS B 200 0.776 -16.377 20.032 1.00 0.79 C
+ATOM 3345 O LYS B 200 0.120 -17.415 20.028 1.00 0.79 O
+ATOM 3346 CB LYS B 200 0.413 -14.718 18.170 1.00 0.79 C
+ATOM 3347 CG LYS B 200 0.295 -15.898 17.189 1.00 0.79 C
+ATOM 3348 CD LYS B 200 0.708 -15.531 15.752 1.00 0.79 C
+ATOM 3349 CE LYS B 200 1.485 -16.679 15.088 1.00 0.79 C
+ATOM 3350 NZ LYS B 200 1.925 -16.359 13.708 1.00 0.79 N
+ATOM 3351 N ALA B 201 2.075 -16.379 20.378 1.00 0.86 N
+ATOM 3352 CA ALA B 201 2.804 -17.566 20.754 1.00 0.86 C
+ATOM 3353 C ALA B 201 2.487 -18.053 22.164 1.00 0.86 C
+ATOM 3354 O ALA B 201 2.926 -19.125 22.575 1.00 0.86 O
+ATOM 3355 CB ALA B 201 4.308 -17.274 20.634 1.00 0.86 C
+ATOM 3356 N GLY B 202 1.696 -17.276 22.931 1.00 0.89 N
+ATOM 3357 CA GLY B 202 1.177 -17.697 24.224 1.00 0.89 C
+ATOM 3358 C GLY B 202 1.921 -17.170 25.411 1.00 0.89 C
+ATOM 3359 O GLY B 202 1.644 -17.562 26.541 1.00 0.89 O
+ATOM 3360 N LEU B 203 2.898 -16.269 25.212 1.00 0.85 N
+ATOM 3361 CA LEU B 203 3.647 -15.686 26.307 1.00 0.85 C
+ATOM 3362 C LEU B 203 2.779 -14.831 27.217 1.00 0.85 C
+ATOM 3363 O LEU B 203 1.916 -14.070 26.776 1.00 0.85 O
+ATOM 3364 CB LEU B 203 4.838 -14.830 25.806 1.00 0.85 C
+ATOM 3365 CG LEU B 203 6.121 -15.622 25.483 1.00 0.85 C
+ATOM 3366 CD1 LEU B 203 5.964 -16.563 24.281 1.00 0.85 C
+ATOM 3367 CD2 LEU B 203 7.290 -14.660 25.233 1.00 0.85 C
+ATOM 3368 N THR B 204 3.015 -14.902 28.540 1.00 0.85 N
+ATOM 3369 CA THR B 204 2.368 -14.030 29.511 1.00 0.85 C
+ATOM 3370 C THR B 204 2.772 -12.581 29.313 1.00 0.85 C
+ATOM 3371 O THR B 204 3.814 -12.291 28.731 1.00 0.85 O
+ATOM 3372 CB THR B 204 2.567 -14.418 30.981 1.00 0.85 C
+ATOM 3373 OG1 THR B 204 3.875 -14.122 31.463 1.00 0.85 O
+ATOM 3374 CG2 THR B 204 2.332 -15.922 31.169 1.00 0.85 C
+ATOM 3375 N LEU B 205 1.971 -11.606 29.795 1.00 0.79 N
+ATOM 3376 CA LEU B 205 2.298 -10.189 29.666 1.00 0.79 C
+ATOM 3377 C LEU B 205 3.664 -9.831 30.247 1.00 0.79 C
+ATOM 3378 O LEU B 205 4.442 -9.126 29.615 1.00 0.79 O
+ATOM 3379 CB LEU B 205 1.202 -9.301 30.314 1.00 0.79 C
+ATOM 3380 CG LEU B 205 -0.105 -9.182 29.498 1.00 0.79 C
+ATOM 3381 CD1 LEU B 205 -1.222 -8.549 30.344 1.00 0.79 C
+ATOM 3382 CD2 LEU B 205 0.096 -8.351 28.221 1.00 0.79 C
+ATOM 3383 N GLN B 206 4.026 -10.384 31.425 1.00 0.77 N
+ATOM 3384 CA GLN B 206 5.348 -10.203 32.005 1.00 0.77 C
+ATOM 3385 C GLN B 206 6.467 -10.765 31.131 1.00 0.77 C
+ATOM 3386 O GLN B 206 7.471 -10.109 30.863 1.00 0.77 O
+ATOM 3387 CB GLN B 206 5.391 -10.869 33.399 1.00 0.77 C
+ATOM 3388 CG GLN B 206 6.665 -10.557 34.219 1.00 0.77 C
+ATOM 3389 CD GLN B 206 6.610 -11.233 35.589 1.00 0.77 C
+ATOM 3390 OE1 GLN B 206 5.775 -12.106 35.845 1.00 0.77 O
+ATOM 3391 NE2 GLN B 206 7.522 -10.838 36.502 1.00 0.77 N
+ATOM 3392 N GLN B 207 6.278 -11.986 30.586 1.00 0.75 N
+ATOM 3393 CA GLN B 207 7.218 -12.599 29.663 1.00 0.75 C
+ATOM 3394 C GLN B 207 7.395 -11.809 28.378 1.00 0.75 C
+ATOM 3395 O GLN B 207 8.505 -11.679 27.870 1.00 0.75 O
+ATOM 3396 CB GLN B 207 6.774 -14.032 29.304 1.00 0.75 C
+ATOM 3397 CG GLN B 207 6.848 -15.012 30.494 1.00 0.75 C
+ATOM 3398 CD GLN B 207 5.996 -16.253 30.237 1.00 0.75 C
+ATOM 3399 OE1 GLN B 207 5.360 -16.418 29.194 1.00 0.75 O
+ATOM 3400 NE2 GLN B 207 5.948 -17.161 31.238 1.00 0.75 N
+ATOM 3401 N GLN B 208 6.306 -11.232 27.829 1.00 0.73 N
+ATOM 3402 CA GLN B 208 6.365 -10.374 26.660 1.00 0.73 C
+ATOM 3403 C GLN B 208 7.253 -9.151 26.861 1.00 0.73 C
+ATOM 3404 O GLN B 208 8.107 -8.845 26.031 1.00 0.73 O
+ATOM 3405 CB GLN B 208 4.944 -9.883 26.286 1.00 0.73 C
+ATOM 3406 CG GLN B 208 4.006 -10.977 25.731 1.00 0.73 C
+ATOM 3407 CD GLN B 208 2.568 -10.463 25.675 1.00 0.73 C
+ATOM 3408 OE1 GLN B 208 2.303 -9.290 25.405 1.00 0.73 O
+ATOM 3409 NE2 GLN B 208 1.593 -11.354 25.960 1.00 0.73 N
+ATOM 3410 N HIS B 209 7.113 -8.437 27.998 1.00 0.78 N
+ATOM 3411 CA HIS B 209 7.926 -7.265 28.283 1.00 0.78 C
+ATOM 3412 C HIS B 209 9.382 -7.591 28.547 1.00 0.78 C
+ATOM 3413 O HIS B 209 10.284 -6.934 28.027 1.00 0.78 O
+ATOM 3414 CB HIS B 209 7.384 -6.469 29.486 1.00 0.78 C
+ATOM 3415 CG HIS B 209 5.897 -6.285 29.459 1.00 0.78 C
+ATOM 3416 ND1 HIS B 209 5.230 -6.161 30.659 1.00 0.78 N
+ATOM 3417 CD2 HIS B 209 5.013 -6.278 28.429 1.00 0.78 C
+ATOM 3418 CE1 HIS B 209 3.956 -6.087 30.344 1.00 0.78 C
+ATOM 3419 NE2 HIS B 209 3.766 -6.159 29.005 1.00 0.78 N
+ATOM 3420 N GLN B 210 9.650 -8.648 29.341 1.00 0.77 N
+ATOM 3421 CA GLN B 210 11.000 -9.105 29.614 1.00 0.77 C
+ATOM 3422 C GLN B 210 11.715 -9.580 28.362 1.00 0.77 C
+ATOM 3423 O GLN B 210 12.849 -9.194 28.087 1.00 0.77 O
+ATOM 3424 CB GLN B 210 10.989 -10.247 30.652 1.00 0.77 C
+ATOM 3425 CG GLN B 210 10.544 -9.795 32.057 1.00 0.77 C
+ATOM 3426 CD GLN B 210 10.505 -10.967 33.035 1.00 0.77 C
+ATOM 3427 OE1 GLN B 210 10.654 -12.145 32.689 1.00 0.77 O
+ATOM 3428 NE2 GLN B 210 10.282 -10.637 34.321 1.00 0.77 N
+ATOM 3429 N ARG B 211 11.039 -10.387 27.520 1.00 0.80 N
+ATOM 3430 CA ARG B 211 11.592 -10.852 26.265 1.00 0.80 C
+ATOM 3431 C ARG B 211 11.828 -9.742 25.257 1.00 0.80 C
+ATOM 3432 O ARG B 211 12.876 -9.702 24.615 1.00 0.80 O
+ATOM 3433 CB ARG B 211 10.728 -11.970 25.650 1.00 0.80 C
+ATOM 3434 CG ARG B 211 11.382 -12.660 24.438 1.00 0.80 C
+ATOM 3435 CD ARG B 211 10.559 -13.832 23.907 1.00 0.80 C
+ATOM 3436 NE ARG B 211 11.263 -14.395 22.723 1.00 0.80 N
+ATOM 3437 CZ ARG B 211 12.105 -15.431 22.731 1.00 0.80 C
+ATOM 3438 NH1 ARG B 211 12.541 -15.974 23.860 1.00 0.80 N
+ATOM 3439 NH2 ARG B 211 12.527 -15.940 21.578 1.00 0.80 N
+ATOM 3440 N LEU B 212 10.894 -8.772 25.127 1.00 0.86 N
+ATOM 3441 CA LEU B 212 11.108 -7.595 24.299 1.00 0.86 C
+ATOM 3442 C LEU B 212 12.318 -6.797 24.752 1.00 0.86 C
+ATOM 3443 O LEU B 212 13.173 -6.426 23.950 1.00 0.86 O
+ATOM 3444 CB LEU B 212 9.864 -6.669 24.317 1.00 0.86 C
+ATOM 3445 CG LEU B 212 9.998 -5.363 23.499 1.00 0.86 C
+ATOM 3446 CD1 LEU B 212 10.074 -5.643 21.995 1.00 0.86 C
+ATOM 3447 CD2 LEU B 212 8.845 -4.392 23.782 1.00 0.86 C
+ATOM 3448 N ALA B 213 12.457 -6.567 26.071 1.00 0.91 N
+ATOM 3449 CA ALA B 213 13.590 -5.857 26.610 1.00 0.91 C
+ATOM 3450 C ALA B 213 14.915 -6.552 26.374 1.00 0.91 C
+ATOM 3451 O ALA B 213 15.874 -5.941 25.914 1.00 0.91 O
+ATOM 3452 CB ALA B 213 13.375 -5.618 28.110 1.00 0.91 C
+ATOM 3453 N GLN B 214 14.975 -7.874 26.606 1.00 0.85 N
+ATOM 3454 CA GLN B 214 16.160 -8.660 26.348 1.00 0.85 C
+ATOM 3455 C GLN B 214 16.578 -8.649 24.885 1.00 0.85 C
+ATOM 3456 O GLN B 214 17.752 -8.463 24.573 1.00 0.85 O
+ATOM 3457 CB GLN B 214 15.940 -10.110 26.836 1.00 0.85 C
+ATOM 3458 CG GLN B 214 15.898 -10.237 28.380 1.00 0.85 C
+ATOM 3459 CD GLN B 214 17.269 -10.040 29.030 1.00 0.85 C
+ATOM 3460 OE1 GLN B 214 18.309 -10.027 28.359 1.00 0.85 O
+ATOM 3461 NE2 GLN B 214 17.286 -9.967 30.377 1.00 0.85 N
+ATOM 3462 N LEU B 215 15.623 -8.793 23.944 1.00 0.90 N
+ATOM 3463 CA LEU B 215 15.917 -8.713 22.525 1.00 0.90 C
+ATOM 3464 C LEU B 215 16.393 -7.342 22.060 1.00 0.90 C
+ATOM 3465 O LEU B 215 17.365 -7.229 21.314 1.00 0.90 O
+ATOM 3466 CB LEU B 215 14.702 -9.135 21.666 1.00 0.90 C
+ATOM 3467 CG LEU B 215 14.292 -10.618 21.766 1.00 0.90 C
+ATOM 3468 CD1 LEU B 215 13.092 -10.896 20.848 1.00 0.90 C
+ATOM 3469 CD2 LEU B 215 15.442 -11.568 21.411 1.00 0.90 C
+ATOM 3470 N LEU B 216 15.749 -6.247 22.508 1.00 0.94 N
+ATOM 3471 CA LEU B 216 16.174 -4.903 22.156 1.00 0.94 C
+ATOM 3472 C LEU B 216 17.526 -4.528 22.746 1.00 0.94 C
+ATOM 3473 O LEU B 216 18.342 -3.870 22.105 1.00 0.94 O
+ATOM 3474 CB LEU B 216 15.098 -3.851 22.494 1.00 0.94 C
+ATOM 3475 CG LEU B 216 13.770 -4.046 21.728 1.00 0.94 C
+ATOM 3476 CD1 LEU B 216 12.769 -2.962 22.131 1.00 0.94 C
+ATOM 3477 CD2 LEU B 216 13.934 -4.039 20.202 1.00 0.94 C
+ATOM 3478 N LEU B 217 17.836 -4.990 23.970 1.00 0.93 N
+ATOM 3479 CA LEU B 217 19.149 -4.840 24.570 1.00 0.93 C
+ATOM 3480 C LEU B 217 20.278 -5.548 23.816 1.00 0.93 C
+ATOM 3481 O LEU B 217 21.414 -5.073 23.772 1.00 0.93 O
+ATOM 3482 CB LEU B 217 19.120 -5.284 26.047 1.00 0.93 C
+ATOM 3483 CG LEU B 217 18.386 -4.305 26.990 1.00 0.93 C
+ATOM 3484 CD1 LEU B 217 18.194 -4.930 28.380 1.00 0.93 C
+ATOM 3485 CD2 LEU B 217 19.120 -2.962 27.115 1.00 0.93 C
+ATOM 3486 N ILE B 218 20.003 -6.686 23.142 1.00 0.91 N
+ATOM 3487 CA ILE B 218 20.957 -7.325 22.235 1.00 0.91 C
+ATOM 3488 C ILE B 218 21.347 -6.409 21.076 1.00 0.91 C
+ATOM 3489 O ILE B 218 22.491 -6.402 20.623 1.00 0.91 O
+ATOM 3490 CB ILE B 218 20.474 -8.689 21.743 1.00 0.91 C
+ATOM 3491 CG1 ILE B 218 20.380 -9.674 22.930 1.00 0.91 C
+ATOM 3492 CG2 ILE B 218 21.428 -9.257 20.670 1.00 0.91 C
+ATOM 3493 CD1 ILE B 218 19.604 -10.955 22.608 1.00 0.91 C
+ATOM 3494 N LEU B 219 20.432 -5.545 20.596 1.00 0.91 N
+ATOM 3495 CA LEU B 219 20.736 -4.566 19.564 1.00 0.91 C
+ATOM 3496 C LEU B 219 21.817 -3.563 19.955 1.00 0.91 C
+ATOM 3497 O LEU B 219 22.631 -3.152 19.132 1.00 0.91 O
+ATOM 3498 CB LEU B 219 19.482 -3.806 19.084 1.00 0.91 C
+ATOM 3499 CG LEU B 219 18.307 -4.709 18.655 1.00 0.91 C
+ATOM 3500 CD1 LEU B 219 17.171 -3.866 18.065 1.00 0.91 C
+ATOM 3501 CD2 LEU B 219 18.726 -5.790 17.652 1.00 0.91 C
+ATOM 3502 N SER B 220 21.899 -3.164 21.241 1.00 0.92 N
+ATOM 3503 CA SER B 220 23.028 -2.383 21.743 1.00 0.92 C
+ATOM 3504 C SER B 220 24.363 -3.101 21.609 1.00 0.92 C
+ATOM 3505 O SER B 220 25.388 -2.514 21.269 1.00 0.92 O
+ATOM 3506 CB SER B 220 22.866 -1.971 23.224 1.00 0.92 C
+ATOM 3507 OG SER B 220 21.710 -1.151 23.385 1.00 0.92 O
+ATOM 3508 N HIS B 221 24.391 -4.425 21.852 1.00 0.89 N
+ATOM 3509 CA HIS B 221 25.562 -5.245 21.588 1.00 0.89 C
+ATOM 3510 C HIS B 221 25.915 -5.356 20.114 1.00 0.89 C
+ATOM 3511 O HIS B 221 27.080 -5.231 19.749 1.00 0.89 O
+ATOM 3512 CB HIS B 221 25.418 -6.639 22.222 1.00 0.89 C
+ATOM 3513 CG HIS B 221 26.621 -7.518 22.069 1.00 0.89 C
+ATOM 3514 ND1 HIS B 221 26.485 -8.707 21.395 1.00 0.89 N
+ATOM 3515 CD2 HIS B 221 27.892 -7.374 22.522 1.00 0.89 C
+ATOM 3516 CE1 HIS B 221 27.674 -9.277 21.448 1.00 0.89 C
+ATOM 3517 NE2 HIS B 221 28.566 -8.507 22.121 1.00 0.89 N
+ATOM 3518 N ILE B 222 24.922 -5.522 19.224 1.00 0.92 N
+ATOM 3519 CA ILE B 222 25.129 -5.557 17.780 1.00 0.92 C
+ATOM 3520 C ILE B 222 25.719 -4.256 17.243 1.00 0.92 C
+ATOM 3521 O ILE B 222 26.644 -4.265 16.428 1.00 0.92 O
+ATOM 3522 CB ILE B 222 23.856 -5.980 17.050 1.00 0.92 C
+ATOM 3523 CG1 ILE B 222 23.479 -7.433 17.440 1.00 0.92 C
+ATOM 3524 CG2 ILE B 222 24.053 -5.864 15.523 1.00 0.92 C
+ATOM 3525 CD1 ILE B 222 22.101 -7.876 16.938 1.00 0.92 C
+ATOM 3526 N ARG B 223 25.260 -3.100 17.760 1.00 0.85 N
+ATOM 3527 CA ARG B 223 25.829 -1.797 17.463 1.00 0.85 C
+ATOM 3528 C ARG B 223 27.294 -1.684 17.867 1.00 0.85 C
+ATOM 3529 O ARG B 223 28.146 -1.225 17.109 1.00 0.85 O
+ATOM 3530 CB ARG B 223 24.995 -0.730 18.208 1.00 0.85 C
+ATOM 3531 CG ARG B 223 25.231 0.739 17.807 1.00 0.85 C
+ATOM 3532 CD ARG B 223 24.757 1.063 16.385 1.00 0.85 C
+ATOM 3533 NE ARG B 223 24.633 2.554 16.273 1.00 0.85 N
+ATOM 3534 CZ ARG B 223 23.506 3.230 16.539 1.00 0.85 C
+ATOM 3535 NH1 ARG B 223 23.472 4.540 16.312 1.00 0.85 N
+ATOM 3536 NH2 ARG B 223 22.429 2.647 17.058 1.00 0.85 N
+ATOM 3537 N HIS B 224 27.635 -2.185 19.072 1.00 0.88 N
+ATOM 3538 CA HIS B 224 29.005 -2.259 19.552 1.00 0.88 C
+ATOM 3539 C HIS B 224 29.889 -3.147 18.691 1.00 0.88 C
+ATOM 3540 O HIS B 224 31.006 -2.777 18.336 1.00 0.88 O
+ATOM 3541 CB HIS B 224 29.010 -2.762 21.013 1.00 0.88 C
+ATOM 3542 CG HIS B 224 30.352 -2.894 21.660 1.00 0.88 C
+ATOM 3543 ND1 HIS B 224 31.076 -1.775 22.009 1.00 0.88 N
+ATOM 3544 CD2 HIS B 224 31.035 -4.015 21.994 1.00 0.88 C
+ATOM 3545 CE1 HIS B 224 32.189 -2.234 22.539 1.00 0.88 C
+ATOM 3546 NE2 HIS B 224 32.218 -3.588 22.556 1.00 0.88 N
+ATOM 3547 N MET B 225 29.389 -4.329 18.273 1.00 0.90 N
+ATOM 3548 CA MET B 225 30.099 -5.197 17.353 1.00 0.90 C
+ATOM 3549 C MET B 225 30.348 -4.545 16.008 1.00 0.90 C
+ATOM 3550 O MET B 225 31.437 -4.645 15.453 1.00 0.90 O
+ATOM 3551 CB MET B 225 29.344 -6.521 17.117 1.00 0.90 C
+ATOM 3552 CG MET B 225 29.247 -7.413 18.360 1.00 0.90 C
+ATOM 3553 SD MET B 225 28.689 -9.100 17.988 1.00 0.90 S
+ATOM 3554 CE MET B 225 26.961 -8.764 17.573 1.00 0.90 C
+ATOM 3555 N SER B 226 29.350 -3.823 15.467 1.00 0.90 N
+ATOM 3556 CA SER B 226 29.501 -3.074 14.228 1.00 0.90 C
+ATOM 3557 C SER B 226 30.552 -1.985 14.308 1.00 0.90 C
+ATOM 3558 O SER B 226 31.415 -1.882 13.440 1.00 0.90 O
+ATOM 3559 CB SER B 226 28.162 -2.447 13.787 1.00 0.90 C
+ATOM 3560 OG SER B 226 28.257 -1.793 12.519 1.00 0.90 O
+ATOM 3561 N ASN B 227 30.575 -1.185 15.393 1.00 0.89 N
+ATOM 3562 CA ASN B 227 31.602 -0.172 15.583 1.00 0.89 C
+ATOM 3563 C ASN B 227 33.004 -0.763 15.673 1.00 0.89 C
+ATOM 3564 O ASN B 227 33.938 -0.293 15.025 1.00 0.89 O
+ATOM 3565 CB ASN B 227 31.322 0.653 16.859 1.00 0.89 C
+ATOM 3566 CG ASN B 227 30.166 1.620 16.625 1.00 0.89 C
+ATOM 3567 OD1 ASN B 227 30.023 2.230 15.561 1.00 0.89 O
+ATOM 3568 ND2 ASN B 227 29.342 1.818 17.678 1.00 0.89 N
+ATOM 3569 N LYS B 228 33.167 -1.867 16.429 1.00 0.85 N
+ATOM 3570 CA LYS B 228 34.413 -2.604 16.491 1.00 0.85 C
+ATOM 3571 C LYS B 228 34.821 -3.229 15.172 1.00 0.85 C
+ATOM 3572 O LYS B 228 35.988 -3.211 14.784 1.00 0.85 O
+ATOM 3573 CB LYS B 228 34.354 -3.683 17.609 1.00 0.85 C
+ATOM 3574 CG LYS B 228 34.205 -3.109 19.036 1.00 0.85 C
+ATOM 3575 CD LYS B 228 35.444 -2.278 19.391 1.00 0.85 C
+ATOM 3576 CE LYS B 228 35.359 -1.326 20.584 1.00 0.85 C
+ATOM 3577 NZ LYS B 228 36.496 -0.390 20.491 1.00 0.85 N
+ATOM 3578 N GLY B 229 33.852 -3.768 14.412 1.00 0.86 N
+ATOM 3579 CA GLY B 229 34.094 -4.287 13.076 1.00 0.86 C
+ATOM 3580 C GLY B 229 34.512 -3.232 12.098 1.00 0.86 C
+ATOM 3581 O GLY B 229 35.418 -3.443 11.305 1.00 0.86 O
+ATOM 3582 N MET B 230 33.921 -2.031 12.162 1.00 0.77 N
+ATOM 3583 CA MET B 230 34.363 -0.904 11.371 1.00 0.77 C
+ATOM 3584 C MET B 230 35.772 -0.442 11.722 1.00 0.77 C
+ATOM 3585 O MET B 230 36.572 -0.206 10.818 1.00 0.77 O
+ATOM 3586 CB MET B 230 33.377 0.279 11.470 1.00 0.77 C
+ATOM 3587 CG MET B 230 32.027 0.061 10.748 1.00 0.77 C
+ATOM 3588 SD MET B 230 32.103 -0.446 8.997 1.00 0.77 S
+ATOM 3589 CE MET B 230 33.172 0.878 8.383 1.00 0.77 C
+ATOM 3590 N GLU B 231 36.138 -0.377 13.033 1.00 0.79 N
+ATOM 3591 CA GLU B 231 37.516 -0.136 13.471 1.00 0.79 C
+ATOM 3592 C GLU B 231 38.468 -1.144 12.826 1.00 0.79 C
+ATOM 3593 O GLU B 231 39.481 -0.784 12.228 1.00 0.79 O
+ATOM 3594 CB GLU B 231 37.702 -0.243 15.032 1.00 0.79 C
+ATOM 3595 CG GLU B 231 37.234 0.976 15.887 1.00 0.79 C
+ATOM 3596 CD GLU B 231 37.567 0.919 17.383 1.00 0.79 C
+ATOM 3597 OE1 GLU B 231 36.779 0.308 18.141 1.00 0.79 O
+ATOM 3598 OE2 GLU B 231 38.593 1.489 17.815 1.00 0.79 O
+ATOM 3599 N HIS B 232 38.102 -2.440 12.873 1.00 0.76 N
+ATOM 3600 CA HIS B 232 38.880 -3.524 12.305 1.00 0.76 C
+ATOM 3601 C HIS B 232 39.031 -3.482 10.796 1.00 0.76 C
+ATOM 3602 O HIS B 232 40.118 -3.664 10.255 1.00 0.76 O
+ATOM 3603 CB HIS B 232 38.268 -4.878 12.724 1.00 0.76 C
+ATOM 3604 CG HIS B 232 39.144 -6.045 12.420 1.00 0.76 C
+ATOM 3605 ND1 HIS B 232 38.647 -7.191 11.822 1.00 0.76 N
+ATOM 3606 CD2 HIS B 232 40.460 -6.184 12.692 1.00 0.76 C
+ATOM 3607 CE1 HIS B 232 39.685 -8.001 11.741 1.00 0.76 C
+ATOM 3608 NE2 HIS B 232 40.802 -7.438 12.251 1.00 0.76 N
+ATOM 3609 N LEU B 233 37.954 -3.204 10.041 1.00 0.76 N
+ATOM 3610 CA LEU B 233 38.040 -3.118 8.595 1.00 0.76 C
+ATOM 3611 C LEU B 233 38.955 -1.991 8.136 1.00 0.76 C
+ATOM 3612 O LEU B 233 39.762 -2.172 7.228 1.00 0.76 O
+ATOM 3613 CB LEU B 233 36.652 -2.970 7.936 1.00 0.76 C
+ATOM 3614 CG LEU B 233 35.681 -4.153 8.135 1.00 0.76 C
+ATOM 3615 CD1 LEU B 233 34.286 -3.792 7.602 1.00 0.76 C
+ATOM 3616 CD2 LEU B 233 36.175 -5.446 7.475 1.00 0.76 C
+ATOM 3617 N TYR B 234 38.897 -0.820 8.802 1.00 0.70 N
+ATOM 3618 CA TYR B 234 39.810 0.280 8.542 1.00 0.70 C
+ATOM 3619 C TYR B 234 41.271 -0.012 8.877 1.00 0.70 C
+ATOM 3620 O TYR B 234 42.175 0.521 8.239 1.00 0.70 O
+ATOM 3621 CB TYR B 234 39.375 1.578 9.269 1.00 0.70 C
+ATOM 3622 CG TYR B 234 38.258 2.276 8.538 1.00 0.70 C
+ATOM 3623 CD1 TYR B 234 38.470 2.805 7.252 1.00 0.70 C
+ATOM 3624 CD2 TYR B 234 37.008 2.469 9.147 1.00 0.70 C
+ATOM 3625 CE1 TYR B 234 37.444 3.486 6.582 1.00 0.70 C
+ATOM 3626 CE2 TYR B 234 35.980 3.150 8.480 1.00 0.70 C
+ATOM 3627 CZ TYR B 234 36.199 3.653 7.193 1.00 0.70 C
+ATOM 3628 OH TYR B 234 35.176 4.343 6.516 1.00 0.70 O
+ATOM 3629 N SER B 235 41.573 -0.861 9.883 1.00 0.72 N
+ATOM 3630 CA SER B 235 42.956 -1.249 10.134 1.00 0.72 C
+ATOM 3631 C SER B 235 43.506 -2.255 9.130 1.00 0.72 C
+ATOM 3632 O SER B 235 44.714 -2.324 8.914 1.00 0.72 O
+ATOM 3633 CB SER B 235 43.196 -1.761 11.580 1.00 0.72 C
+ATOM 3634 OG SER B 235 42.477 -2.960 11.868 1.00 0.72 O
+ATOM 3635 N MET B 236 42.634 -3.031 8.454 1.00 0.67 N
+ATOM 3636 CA MET B 236 43.035 -3.924 7.381 1.00 0.67 C
+ATOM 3637 C MET B 236 43.039 -3.300 5.987 1.00 0.67 C
+ATOM 3638 O MET B 236 43.842 -3.677 5.130 1.00 0.67 O
+ATOM 3639 CB MET B 236 42.096 -5.148 7.330 1.00 0.67 C
+ATOM 3640 CG MET B 236 42.246 -6.092 8.536 1.00 0.67 C
+ATOM 3641 SD MET B 236 41.294 -7.632 8.367 1.00 0.67 S
+ATOM 3642 CE MET B 236 39.666 -6.851 8.532 1.00 0.67 C
+ATOM 3643 N LYS B 237 42.125 -2.359 5.694 1.00 0.67 N
+ATOM 3644 CA LYS B 237 42.035 -1.716 4.399 1.00 0.67 C
+ATOM 3645 C LYS B 237 41.978 -0.217 4.594 1.00 0.67 C
+ATOM 3646 O LYS B 237 41.133 0.311 5.308 1.00 0.67 O
+ATOM 3647 CB LYS B 237 40.790 -2.192 3.597 1.00 0.67 C
+ATOM 3648 CG LYS B 237 41.082 -2.758 2.197 1.00 0.67 C
+ATOM 3649 CD LYS B 237 41.854 -4.085 2.256 1.00 0.67 C
+ATOM 3650 CE LYS B 237 42.151 -4.678 0.880 1.00 0.67 C
+ATOM 3651 NZ LYS B 237 42.979 -5.895 1.030 1.00 0.67 N
+ATOM 3652 N SER B 238 42.888 0.522 3.933 1.00 0.57 N
+ATOM 3653 CA SER B 238 42.994 1.964 4.069 1.00 0.57 C
+ATOM 3654 C SER B 238 41.762 2.722 3.609 1.00 0.57 C
+ATOM 3655 O SER B 238 41.338 3.691 4.234 1.00 0.57 O
+ATOM 3656 CB SER B 238 44.244 2.495 3.311 1.00 0.57 C
+ATOM 3657 OG SER B 238 44.228 2.132 1.926 1.00 0.57 O
+ATOM 3658 N LYS B 239 41.165 2.288 2.487 1.00 0.55 N
+ATOM 3659 CA LYS B 239 40.046 2.920 1.834 1.00 0.55 C
+ATOM 3660 C LYS B 239 39.315 1.797 1.122 1.00 0.55 C
+ATOM 3661 O LYS B 239 39.805 0.670 1.082 1.00 0.55 O
+ATOM 3662 CB LYS B 239 40.490 4.003 0.809 1.00 0.55 C
+ATOM 3663 CG LYS B 239 41.090 5.265 1.452 1.00 0.55 C
+ATOM 3664 CD LYS B 239 41.922 6.114 0.482 1.00 0.55 C
+ATOM 3665 CE LYS B 239 42.716 7.181 1.240 1.00 0.55 C
+ATOM 3666 NZ LYS B 239 43.625 7.911 0.331 1.00 0.55 N
+ATOM 3667 N ASN B 240 38.107 2.073 0.575 1.00 0.61 N
+ATOM 3668 CA ASN B 240 37.253 1.069 -0.049 1.00 0.61 C
+ATOM 3669 C ASN B 240 36.720 0.061 0.974 1.00 0.61 C
+ATOM 3670 O ASN B 240 36.780 -1.152 0.794 1.00 0.61 O
+ATOM 3671 CB ASN B 240 37.933 0.420 -1.290 1.00 0.61 C
+ATOM 3672 CG ASN B 240 36.915 -0.238 -2.211 1.00 0.61 C
+ATOM 3673 OD1 ASN B 240 35.791 0.246 -2.363 1.00 0.61 O
+ATOM 3674 ND2 ASN B 240 37.321 -1.336 -2.885 1.00 0.61 N
+ATOM 3675 N VAL B 241 36.207 0.600 2.101 1.00 0.64 N
+ATOM 3676 CA VAL B 241 35.707 -0.166 3.233 1.00 0.64 C
+ATOM 3677 C VAL B 241 34.217 0.041 3.428 1.00 0.64 C
+ATOM 3678 O VAL B 241 33.482 -0.879 3.777 1.00 0.64 O
+ATOM 3679 CB VAL B 241 36.403 0.285 4.519 1.00 0.64 C
+ATOM 3680 CG1 VAL B 241 35.795 -0.400 5.758 1.00 0.64 C
+ATOM 3681 CG2 VAL B 241 37.900 -0.049 4.434 1.00 0.64 C
+ATOM 3682 N VAL B 242 33.711 1.268 3.202 1.00 0.68 N
+ATOM 3683 CA VAL B 242 32.292 1.555 3.308 1.00 0.68 C
+ATOM 3684 C VAL B 242 31.697 1.615 1.912 1.00 0.68 C
+ATOM 3685 O VAL B 242 32.376 2.076 0.988 1.00 0.68 O
+ATOM 3686 CB VAL B 242 31.976 2.847 4.056 1.00 0.68 C
+ATOM 3687 CG1 VAL B 242 32.378 2.682 5.530 1.00 0.68 C
+ATOM 3688 CG2 VAL B 242 32.692 4.058 3.429 1.00 0.68 C
+ATOM 3689 N PRO B 243 30.478 1.146 1.657 1.00 0.74 N
+ATOM 3690 CA PRO B 243 29.780 1.438 0.414 1.00 0.74 C
+ATOM 3691 C PRO B 243 29.558 2.926 0.194 1.00 0.74 C
+ATOM 3692 O PRO B 243 28.996 3.599 1.053 1.00 0.74 O
+ATOM 3693 CB PRO B 243 28.475 0.646 0.531 1.00 0.74 C
+ATOM 3694 CG PRO B 243 28.197 0.597 2.034 1.00 0.74 C
+ATOM 3695 CD PRO B 243 29.598 0.499 2.636 1.00 0.74 C
+ATOM 3696 N LEU B 244 29.998 3.462 -0.956 1.00 0.67 N
+ATOM 3697 CA LEU B 244 29.848 4.861 -1.307 1.00 0.67 C
+ATOM 3698 C LEU B 244 28.396 5.314 -1.418 1.00 0.67 C
+ATOM 3699 O LEU B 244 27.516 4.523 -1.763 1.00 0.67 O
+ATOM 3700 CB LEU B 244 30.570 5.167 -2.643 1.00 0.67 C
+ATOM 3701 CG LEU B 244 32.094 4.920 -2.645 1.00 0.67 C
+ATOM 3702 CD1 LEU B 244 32.661 5.126 -4.058 1.00 0.67 C
+ATOM 3703 CD2 LEU B 244 32.824 5.844 -1.661 1.00 0.67 C
+ATOM 3704 N SER B 245 28.114 6.617 -1.179 1.00 0.77 N
+ATOM 3705 CA SER B 245 26.780 7.201 -1.267 1.00 0.77 C
+ATOM 3706 C SER B 245 26.130 6.939 -2.608 1.00 0.77 C
+ATOM 3707 O SER B 245 25.009 6.436 -2.708 1.00 0.77 O
+ATOM 3708 CB SER B 245 26.860 8.734 -1.033 1.00 0.77 C
+ATOM 3709 OG SER B 245 27.576 8.988 0.168 1.00 0.77 O
+ATOM 3710 N ASP B 246 26.894 7.171 -3.683 1.00 0.75 N
+ATOM 3711 CA ASP B 246 26.509 6.942 -5.053 1.00 0.75 C
+ATOM 3712 C ASP B 246 26.176 5.481 -5.341 1.00 0.75 C
+ATOM 3713 O ASP B 246 25.156 5.172 -5.944 1.00 0.75 O
+ATOM 3714 CB ASP B 246 27.671 7.405 -5.965 1.00 0.75 C
+ATOM 3715 CG ASP B 246 28.008 8.885 -5.805 1.00 0.75 C
+ATOM 3716 OD1 ASP B 246 27.317 9.597 -5.034 1.00 0.75 O
+ATOM 3717 OD2 ASP B 246 29.014 9.297 -6.431 1.00 0.75 O
+ATOM 3718 N LEU B 247 27.002 4.531 -4.841 1.00 0.71 N
+ATOM 3719 CA LEU B 247 26.783 3.100 -5.002 1.00 0.71 C
+ATOM 3720 C LEU B 247 25.480 2.641 -4.372 1.00 0.71 C
+ATOM 3721 O LEU B 247 24.689 1.915 -4.975 1.00 0.71 O
+ATOM 3722 CB LEU B 247 27.972 2.312 -4.382 1.00 0.71 C
+ATOM 3723 CG LEU B 247 27.812 0.779 -4.269 1.00 0.71 C
+ATOM 3724 CD1 LEU B 247 27.592 0.110 -5.631 1.00 0.71 C
+ATOM 3725 CD2 LEU B 247 29.028 0.149 -3.578 1.00 0.71 C
+ATOM 3726 N LEU B 248 25.193 3.094 -3.137 1.00 0.75 N
+ATOM 3727 CA LEU B 248 23.939 2.785 -2.479 1.00 0.75 C
+ATOM 3728 C LEU B 248 22.730 3.368 -3.190 1.00 0.75 C
+ATOM 3729 O LEU B 248 21.728 2.682 -3.379 1.00 0.75 O
+ATOM 3730 CB LEU B 248 23.970 3.248 -1.011 1.00 0.75 C
+ATOM 3731 CG LEU B 248 24.941 2.446 -0.125 1.00 0.75 C
+ATOM 3732 CD1 LEU B 248 25.098 3.144 1.221 1.00 0.75 C
+ATOM 3733 CD2 LEU B 248 24.464 1.009 0.104 1.00 0.75 C
+ATOM 3734 N LEU B 249 22.815 4.632 -3.652 1.00 0.77 N
+ATOM 3735 CA LEU B 249 21.762 5.270 -4.424 1.00 0.77 C
+ATOM 3736 C LEU B 249 21.492 4.558 -5.746 1.00 0.77 C
+ATOM 3737 O LEU B 249 20.352 4.267 -6.093 1.00 0.77 O
+ATOM 3738 CB LEU B 249 22.120 6.759 -4.646 1.00 0.77 C
+ATOM 3739 CG LEU B 249 20.965 7.670 -5.108 1.00 0.77 C
+ATOM 3740 CD1 LEU B 249 19.861 7.790 -4.047 1.00 0.77 C
+ATOM 3741 CD2 LEU B 249 21.503 9.072 -5.432 1.00 0.77 C
+ATOM 3742 N GLU B 250 22.555 4.153 -6.467 1.00 0.72 N
+ATOM 3743 CA GLU B 250 22.473 3.416 -7.717 1.00 0.72 C
+ATOM 3744 C GLU B 250 21.763 2.071 -7.578 1.00 0.72 C
+ATOM 3745 O GLU B 250 20.894 1.693 -8.365 1.00 0.72 O
+ATOM 3746 CB GLU B 250 23.907 3.211 -8.261 1.00 0.72 C
+ATOM 3747 CG GLU B 250 24.027 3.101 -9.797 1.00 0.72 C
+ATOM 3748 CD GLU B 250 25.456 2.748 -10.209 1.00 0.72 C
+ATOM 3749 OE1 GLU B 250 26.124 3.608 -10.836 1.00 0.72 O
+ATOM 3750 OE2 GLU B 250 25.876 1.600 -9.906 1.00 0.72 O
+ATOM 3751 N MET B 251 22.075 1.312 -6.506 1.00 0.70 N
+ATOM 3752 CA MET B 251 21.342 0.109 -6.170 1.00 0.70 C
+ATOM 3753 C MET B 251 19.891 0.347 -5.770 1.00 0.70 C
+ATOM 3754 O MET B 251 19.003 -0.420 -6.152 1.00 0.70 O
+ATOM 3755 CB MET B 251 22.061 -0.683 -5.058 1.00 0.70 C
+ATOM 3756 CG MET B 251 23.348 -1.378 -5.534 1.00 0.70 C
+ATOM 3757 SD MET B 251 24.116 -2.431 -4.269 1.00 0.70 S
+ATOM 3758 CE MET B 251 24.603 -1.066 -3.189 1.00 0.70 C
+ATOM 3759 N LEU B 252 19.603 1.403 -4.982 1.00 0.77 N
+ATOM 3760 CA LEU B 252 18.251 1.748 -4.581 1.00 0.77 C
+ATOM 3761 C LEU B 252 17.364 2.139 -5.742 1.00 0.77 C
+ATOM 3762 O LEU B 252 16.253 1.616 -5.870 1.00 0.77 O
+ATOM 3763 CB LEU B 252 18.241 2.908 -3.563 1.00 0.77 C
+ATOM 3764 CG LEU B 252 18.539 2.503 -2.109 1.00 0.77 C
+ATOM 3765 CD1 LEU B 252 18.884 3.761 -1.308 1.00 0.77 C
+ATOM 3766 CD2 LEU B 252 17.343 1.795 -1.462 1.00 0.77 C
+ATOM 3767 N ASP B 253 17.865 2.997 -6.642 1.00 0.75 N
+ATOM 3768 CA ASP B 253 17.138 3.513 -7.779 1.00 0.75 C
+ATOM 3769 C ASP B 253 16.840 2.440 -8.816 1.00 0.75 C
+ATOM 3770 O ASP B 253 15.863 2.521 -9.557 1.00 0.75 O
+ATOM 3771 CB ASP B 253 17.940 4.674 -8.416 1.00 0.75 C
+ATOM 3772 CG ASP B 253 17.941 5.915 -7.527 1.00 0.75 C
+ATOM 3773 OD1 ASP B 253 17.280 5.907 -6.456 1.00 0.75 O
+ATOM 3774 OD2 ASP B 253 18.590 6.908 -7.944 1.00 0.75 O
+ATOM 3775 N ALA B 254 17.661 1.371 -8.879 1.00 0.76 N
+ATOM 3776 CA ALA B 254 17.477 0.285 -9.809 1.00 0.76 C
+ATOM 3777 C ALA B 254 16.127 -0.430 -9.721 1.00 0.76 C
+ATOM 3778 O ALA B 254 15.687 -0.906 -8.666 1.00 0.76 O
+ATOM 3779 CB ALA B 254 18.619 -0.731 -9.643 1.00 0.76 C
+ATOM 3780 N HIS B 255 15.441 -0.529 -10.873 1.00 0.31 N
+ATOM 3781 CA HIS B 255 14.203 -1.265 -11.027 1.00 0.31 C
+ATOM 3782 C HIS B 255 14.502 -2.738 -11.288 1.00 0.31 C
+ATOM 3783 O HIS B 255 14.514 -3.189 -12.431 1.00 0.31 O
+ATOM 3784 CB HIS B 255 13.348 -0.628 -12.151 1.00 0.31 C
+ATOM 3785 CG HIS B 255 13.349 0.882 -12.085 1.00 0.31 C
+ATOM 3786 ND1 HIS B 255 13.465 1.613 -13.254 1.00 0.31 N
+ATOM 3787 CD2 HIS B 255 13.346 1.720 -11.014 1.00 0.31 C
+ATOM 3788 CE1 HIS B 255 13.534 2.873 -12.871 1.00 0.31 C
+ATOM 3789 NE2 HIS B 255 13.470 2.995 -11.525 1.00 0.31 N
+ATOM 3790 N ARG B 256 14.814 -3.493 -10.218 1.00 0.42 N
+ATOM 3791 CA ARG B 256 15.144 -4.902 -10.279 1.00 0.42 C
+ATOM 3792 C ARG B 256 13.874 -5.789 -10.351 1.00 0.42 C
+ATOM 3793 O ARG B 256 12.773 -5.305 -9.973 1.00 0.42 O
+ATOM 3794 CB ARG B 256 15.913 -5.354 -9.005 1.00 0.42 C
+ATOM 3795 CG ARG B 256 17.184 -4.558 -8.647 1.00 0.42 C
+ATOM 3796 CD ARG B 256 18.271 -4.609 -9.719 1.00 0.42 C
+ATOM 3797 NE ARG B 256 19.502 -4.044 -9.075 1.00 0.42 N
+ATOM 3798 CZ ARG B 256 20.587 -3.627 -9.741 1.00 0.42 C
+ATOM 3799 NH1 ARG B 256 20.651 -3.685 -11.068 1.00 0.42 N
+ATOM 3800 NH2 ARG B 256 21.619 -3.135 -9.057 1.00 0.42 N
+TER 3801 ARG B 256
+END
diff --git a/examples/scoring/model_ligand-1.sdf b/examples/scoring/model_ligand-1.sdf
new file mode 100644
index 0000000000000000000000000000000000000000..b75836662e3fae27a247c5523049d325d40b4054
--- /dev/null
+++ b/examples/scoring/model_ligand-1.sdf
@@ -0,0 +1,155 @@
+LIG
+ OST02122508393D
+
+ 72 77 0 0 0 0 999 V2000
+ 34.2410 -11.9470 9.1080 O 0 0 0 0 0 0
+ 33.9430 -10.7380 9.5310 C 0 0 0 0 0 0
+ 34.7350 -10.3020 10.6450 C 0 0 0 0 0 0
+ 34.4700 -10.8250 11.9070 C 0 0 0 0 0 0
+ 35.1420 -10.4010 13.0060 C 0 0 0 0 0 0
+ 36.1110 -9.4390 12.9330 C 0 0 0 0 0 0
+ 36.4000 -8.8970 11.7040 C 0 0 0 0 0 0
+ 35.7070 -9.3350 10.5780 C 0 0 0 0 0 0
+ 32.9290 -10.1370 8.8170 N 0 0 0 0 0 0
+ 32.7500 -10.4970 7.3810 C 0 0 0 0 0 0
+ 33.2450 -9.4080 6.5240 C 0 0 0 0 0 0
+ 32.3360 -8.5890 5.8690 C 0 0 0 0 0 0
+ 32.7920 -7.5950 5.0520 C 0 0 0 0 0 0
+ 34.1700 -7.3540 4.8330 C 0 0 0 0 0 0
+ 34.5390 -6.3850 4.0370 O 0 0 0 0 0 0
+ 34.8610 -5.7980 2.9160 C 0 0 0 0 0 0
+ 33.7520 -5.4490 1.9530 C 0 0 0 0 0 0
+ 32.4030 -5.4950 2.5250 C 0 0 0 0 0 0
+ 31.7200 -4.4400 2.0470 C 0 0 0 0 0 0
+ 32.4970 -3.6670 1.1830 N 0 3 0 0 0 0
+ 32.2350 -2.2530 1.3810 C 0 0 0 0 0 0
+ 31.8980 -1.5530 0.1070 C 0 0 0 0 0 0
+ 33.0490 -0.8730 -0.5560 C 0 0 0 0 0 0
+ 34.1510 -1.7300 -0.4330 F 0 0 0 0 0 0
+ 33.8570 -4.0210 1.4710 C 0 0 0 0 0 0
+ 35.0410 -8.1850 5.4990 C 0 0 0 0 0 0
+ 34.5780 -9.1800 6.3180 C 0 0 0 0 0 0
+ 31.3290 -10.8230 7.2630 C 0 0 0 0 0 0
+ 30.8900 -11.4980 6.1170 C 0 0 0 0 0 0
+ 29.5700 -11.8510 5.9330 C 0 0 0 0 0 0
+ 28.6260 -11.5470 6.8850 C 0 0 0 0 0 0
+ 27.2950 -11.9020 6.7030 O 0 0 0 0 0 0
+ 29.0350 -10.8880 8.0110 C 0 0 0 0 0 0
+ 30.3740 -10.5280 8.2020 C 0 0 0 0 0 0
+ 30.6340 -9.8180 9.5020 C 0 0 0 0 0 0
+ 32.0050 -9.1660 9.3040 C 0 0 0 0 0 0
+ 31.9000 -7.8280 8.6500 C 0 0 0 0 0 0
+ 32.3280 -7.9750 10.0890 C 0 0 0 0 0 0
+ 33.6974 -11.6004 12.0157 H 0 0 0 0 0 0
+ 34.9007 -10.8435 13.9838 H 0 0 0 0 0 0
+ 36.6456 -9.1074 13.8354 H 0 0 0 0 0 0
+ 37.1744 -8.1215 11.6098 H 0 0 0 0 0 0
+ 35.9470 -8.8905 9.6009 H 0 0 0 0 0 0
+ 33.3373 -11.3619 7.0390 H 0 0 0 0 0 0
+ 31.2552 -8.7398 6.0073 H 0 0 0 0 0 0
+ 32.0577 -6.9540 4.5421 H 0 0 0 0 0 0
+ 35.3766 -4.8612 3.1740 H 0 0 0 0 0 0
+ 35.4651 -6.5445 2.3794 H 0 0 0 0 0 0
+ 33.8809 -6.2067 1.1660 H 0 0 0 0 0 0
+ 32.0186 -6.2558 3.2203 H 0 0 0 0 0 0
+ 30.6751 -4.2136 2.3057 H 0 0 0 0 0 0
+ 32.2830 -3.9690 0.2050 H 0 0 0 0 0 0
+ 31.3908 -2.1443 2.0778 H 0 0 0 0 0 0
+ 33.1509 -1.7953 1.7830 H 0 0 0 0 0 0
+ 31.4892 -2.2957 -0.5939 H 0 0 0 0 0 0
+ 31.1796 -0.7621 0.3685 H 0 0 0 0 0 0
+ 32.8236 -0.6959 -1.6180 H 0 0 0 0 0 0
+ 33.2533 0.1021 -0.0897 H 0 0 0 0 0 0
+ 34.4807 -3.9554 0.5673 H 0 0 0 0 0 0
+ 34.3283 -3.3528 2.2067 H 0 0 0 0 0 0
+ 36.1250 -8.0482 5.3718 H 0 0 0 0 0 0
+ 35.3083 -9.8226 6.8316 H 0 0 0 0 0 0
+ 31.6227 -11.7550 5.3379 H 0 0 0 0 0 0
+ 29.2697 -12.3804 5.0167 H 0 0 0 0 0 0
+ 26.9440 -12.2260 5.8090 H 0 0 0 0 0 0
+ 28.2948 -10.6350 8.7844 H 0 0 0 0 0 0
+ 29.8633 -9.0565 9.6919 H 0 0 0 0 0 0
+ 30.6109 -10.4980 10.3663 H 0 0 0 0 0 0
+ 32.6285 -7.5270 7.8827 H 0 0 0 0 0 0
+ 31.1161 -7.2726 8.1143 H 0 0 0 0 0 0
+ 33.3705 -7.7721 10.3753 H 0 0 0 0 0 0
+ 31.9828 -7.5602 11.0475 H 0 0 0 0 0 0
+ 1 2 2 0 0 0
+ 2 3 1 0 0 0
+ 2 9 1 0 0 0
+ 3 4 2 0 0 0
+ 3 8 1 0 0 0
+ 4 5 1 0 0 0
+ 4 39 1 0 0 0
+ 5 6 2 0 0 0
+ 5 40 1 0 0 0
+ 6 7 1 0 0 0
+ 6 41 1 0 0 0
+ 7 8 2 0 0 0
+ 7 42 1 0 0 0
+ 8 43 1 0 0 0
+ 9 10 1 0 0 0
+ 9 36 1 0 0 0
+ 10 11 1 0 0 0
+ 10 28 1 0 0 0
+ 10 44 1 0 0 0
+ 11 12 2 0 0 0
+ 11 27 1 0 0 0
+ 12 13 1 0 0 0
+ 12 45 1 0 0 0
+ 13 14 2 0 0 0
+ 13 46 1 0 0 0
+ 14 15 1 0 0 0
+ 14 26 1 0 0 0
+ 15 16 1 0 0 0
+ 16 17 1 0 0 0
+ 16 47 1 0 0 0
+ 16 48 1 0 0 0
+ 17 18 1 0 0 0
+ 17 25 1 0 0 0
+ 17 49 1 0 0 0
+ 18 19 2 0 0 0
+ 18 50 1 0 0 0
+ 19 20 1 0 0 0
+ 19 51 1 0 0 0
+ 20 21 1 0 0 0
+ 20 25 1 0 0 0
+ 20 52 1 0 0 0
+ 21 22 1 0 0 0
+ 21 53 1 0 0 0
+ 21 54 1 0 0 0
+ 22 23 1 0 0 0
+ 22 55 1 0 0 0
+ 22 56 1 0 0 0
+ 23 24 1 0 0 0
+ 23 57 1 0 0 0
+ 23 58 1 0 0 0
+ 25 59 1 0 0 0
+ 25 60 1 0 0 0
+ 26 27 2 0 0 0
+ 26 61 1 0 0 0
+ 27 62 1 0 0 0
+ 28 29 2 0 0 0
+ 28 34 1 0 0 0
+ 29 30 1 0 0 0
+ 29 63 1 0 0 0
+ 30 31 2 0 0 0
+ 30 64 1 0 0 0
+ 31 32 1 0 0 0
+ 31 33 1 0 0 0
+ 32 65 1 0 0 0
+ 33 34 2 0 0 0
+ 33 66 1 0 0 0
+ 34 35 1 0 0 0
+ 35 36 1 0 0 0
+ 35 67 1 0 0 0
+ 35 68 1 0 0 0
+ 36 37 1 0 0 0
+ 36 38 1 0 0 0
+ 37 38 1 0 0 0
+ 37 69 1 0 0 0
+ 37 70 1 0 0 0
+ 38 71 1 0 0 0
+ 38 72 1 0 0 0
+M END
+$$$$
diff --git a/examples/scoring/model_ligand-2.sdf b/examples/scoring/model_ligand-2.sdf
new file mode 100644
index 0000000000000000000000000000000000000000..986f4f8c147e85daf32061aa82806b08c7f1b311
--- /dev/null
+++ b/examples/scoring/model_ligand-2.sdf
@@ -0,0 +1,46 @@
+LIG
+ OST02122508393D
+
+ 20 20 0 0 0 0 999 V2000
+ 14.5030 17.7260 35.6290 N 0 3 0 0 0 0
+ 14.6340 17.4680 34.2040 C 0 0 0 0 0 0
+ 15.9580 16.7510 33.9650 C 0 0 0 0 0 0
+ 17.0760 17.4970 34.5970 C 0 0 0 0 0 0
+ 17.8840 18.3940 33.9480 C 0 0 0 0 0 0
+ 18.7760 18.8660 34.8320 N 0 0 0 0 0 0
+ 18.5470 18.2880 36.0220 C 0 0 0 0 0 0
+ 17.5090 17.4570 35.8620 N 0 0 0 0 0 0
+ 13.5190 16.6000 33.7450 C 0 0 0 0 0 0
+ 13.0900 16.6000 32.5610 O 0 0 0 0 0 0
+ 12.9120 15.7440 34.6560 O 0 5 0 0 0 0
+ 15.4250 17.9670 36.0330 H 0 0 0 0 0 0
+ 14.1590 16.8270 36.0620 H 0 0 0 0 0 0
+ 13.7950 18.4920 35.7430 H 0 0 0 0 0 0
+ 14.6038 18.4166 33.6478 H 0 0 0 0 0 0
+ 15.9061 15.7413 34.3984 H 0 0 0 0 0 0
+ 16.1388 16.6903 32.8817 H 0 0 0 0 0 0
+ 17.8134 18.6774 32.8875 H 0 0 0 0 0 0
+ 19.5230 19.5620 34.6410 H 0 0 0 0 0 0
+ 19.1064 18.4638 36.9527 H 0 0 0 0 0 0
+ 1 2 1 0 0 0
+ 1 12 1 0 0 0
+ 1 13 1 0 0 0
+ 1 14 1 0 0 0
+ 2 3 1 0 0 0
+ 2 9 1 0 0 0
+ 2 15 1 0 0 0
+ 3 4 1 0 0 0
+ 3 16 1 0 0 0
+ 3 17 1 0 0 0
+ 4 5 2 0 0 0
+ 4 8 1 0 0 0
+ 5 6 1 0 0 0
+ 5 18 1 0 0 0
+ 6 7 1 0 0 0
+ 6 19 1 0 0 0
+ 7 8 2 0 0 0
+ 7 20 1 0 0 0
+ 9 10 2 0 0 0
+ 9 11 1 0 0 0
+M END
+$$$$
diff --git a/examples/scoring/model_ligand-3.sdf b/examples/scoring/model_ligand-3.sdf
new file mode 100644
index 0000000000000000000000000000000000000000..16845fd5d242de30962cc9e6e3a23a61d0df1501
--- /dev/null
+++ b/examples/scoring/model_ligand-3.sdf
@@ -0,0 +1,159 @@
+LIG
+ OST02122508393D
+
+ 74 79 0 0 0 0 999 V2000
+ 12.4190 4.5510 -2.7930 O 0 0 0 0 0 0
+ 12.0190 4.4310 -4.0260 C 0 0 0 0 0 0
+ 11.1680 3.2690 -4.1990 C 0 0 0 0 0 0
+ 11.6010 1.9680 -4.3190 C 0 0 0 0 0 0
+ 10.7390 0.9160 -4.5410 C 0 0 0 0 0 0
+ 9.3830 1.1340 -4.6520 C 0 0 0 0 0 0
+ 8.8950 2.4170 -4.5400 C 0 0 0 0 0 0
+ 9.7790 3.4270 -4.3210 C 0 0 0 0 0 0
+ 12.4790 5.4060 -4.8800 N 0 0 0 0 0 0
+ 12.1160 6.7850 -5.0820 C 0 0 0 0 0 0
+ 11.7080 7.6360 -4.0250 C 0 0 0 0 0 0
+ 11.1470 7.1340 -2.8800 C 0 0 0 0 0 0
+ 10.7360 7.9710 -1.8360 C 0 0 0 0 0 0
+ 10.8730 9.3220 -1.9110 C 0 0 0 0 0 0
+ 10.4590 10.1350 -0.8630 O 0 0 0 0 0 0
+ 10.1380 11.4780 -1.1770 C 0 0 0 0 0 0
+ 9.0670 12.0230 -0.2570 C 0 0 0 0 0 0
+ 9.7170 13.1580 0.5200 C 0 0 0 0 0 0
+ 9.0230 13.0220 1.8600 C 0 0 0 0 0 0
+ 8.8160 11.6130 2.0600 N 0 3 0 0 0 0
+ 7.8740 11.2800 3.0670 C 0 0 0 0 0 0
+ 6.8120 10.2970 2.7280 C 0 0 0 0 0 0
+ 6.3780 9.3930 3.8480 C 0 0 0 0 0 0
+ 5.5450 8.3930 3.3490 F 0 0 0 0 0 0
+ 8.6370 11.0000 0.7800 C 0 0 0 0 0 0
+ 11.4380 9.8270 -3.0690 C 0 0 0 0 0 0
+ 11.8470 9.0170 -4.1020 C 0 0 0 0 0 0
+ 11.3500 6.7770 -6.3380 C 0 0 0 0 0 0
+ 10.0500 7.1170 -6.5250 C 0 0 0 0 0 0
+ 9.5430 7.0240 -7.8300 C 0 0 0 0 0 0
+ 10.3100 6.6090 -8.8810 C 0 0 0 0 0 0
+ 9.8140 6.5130 -10.1870 O 0 0 0 0 0 0
+ 11.6490 6.2570 -8.6840 C 0 0 0 0 0 0
+ 12.1520 6.3440 -7.4210 C 0 0 0 0 0 0
+ 13.5400 5.9540 -7.0840 C 0 0 0 0 0 0
+ 13.4600 4.9620 -5.9190 C 0 0 0 0 0 0
+ 13.4910 3.5460 -6.3540 C 0 0 0 0 0 0
+ 14.6540 4.2220 -5.6000 C 0 0 0 0 0 0
+ 12.6778 1.7597 -4.2343 H 0 0 0 0 0 0
+ 11.1366 -0.1058 -4.6303 H 0 0 0 0 0 0
+ 8.6974 0.2921 -4.8282 H 0 0 0 0 0 0
+ 7.8172 2.6197 -4.6255 H 0 0 0 0 0 0
+ 9.3741 4.4460 -4.2327 H 0 0 0 0 0 0
+ 13.0367 7.3845 -5.1357 H 0 0 0 0 0 0
+ 11.0164 6.0465 -2.7788 H 0 0 0 0 0 0
+ 10.2917 7.5255 -0.9337 H 0 0 0 0 0 0
+ 11.0433 12.0947 -1.0761 H 0 0 0 0 0 0
+ 9.7553 11.5090 -2.2078 H 0 0 0 0 0 0
+ 8.1937 12.3179 -0.8574 H 0 0 0 0 0 0
+ 10.8039 13.0152 0.6111 H 0 0 0 0 0 0
+ 9.6116 14.1479 0.0520 H 0 0 0 0 0 0
+ 9.6554 13.4326 2.6610 H 0 0 0 0 0 0
+ 8.0721 13.5747 1.8784 H 0 0 0 0 0 0
+ 9.7660 11.2560 2.4300 H 0 0 0 0 0 0
+ 8.4366 10.8733 3.9203 H 0 0 0 0 0 0
+ 7.3313 12.2176 3.2580 H 0 0 0 0 0 0
+ 5.9298 10.8575 2.3851 H 0 0 0 0 0 0
+ 7.2473 9.6378 1.9626 H 0 0 0 0 0 0
+ 7.2637 8.9337 4.3112 H 0 0 0 0 0 0
+ 5.8310 9.9812 4.5996 H 0 0 0 0 0 0
+ 9.2593 10.0963 0.7020 H 0 0 0 0 0 0
+ 7.5901 10.6984 0.6283 H 0 0 0 0 0 0
+ 11.5644 10.9154 -3.1665 H 0 0 0 0 0 0
+ 12.2904 9.4681 -5.0020 H 0 0 0 0 0 0
+ 9.4195 7.4518 -5.6881 H 0 0 0 0 0 0
+ 8.4925 7.2944 -8.0127 H 0 0 0 0 0 0
+ 8.9380 6.0000 -10.3050 H 0 0 0 0 0 0
+ 12.2764 5.9204 -9.5225 H 0 0 0 0 0 0
+ 14.0194 5.4783 -7.9522 H 0 0 0 0 0 0
+ 14.1376 6.8351 -6.8072 H 0 0 0 0 0 0
+ 12.8631 2.7941 -5.8536 H 0 0 0 0 0 0
+ 13.3666 3.0018 -7.3018 H 0 0 0 0 0 0
+ 14.8697 3.9460 -4.5573 H 0 0 0 0 0 0
+ 15.7299 4.3582 -5.7843 H 0 0 0 0 0 0
+ 1 2 2 0 0 0
+ 2 3 1 0 0 0
+ 2 9 1 0 0 0
+ 3 4 2 0 0 0
+ 3 8 1 0 0 0
+ 4 5 1 0 0 0
+ 4 39 1 0 0 0
+ 5 6 2 0 0 0
+ 5 40 1 0 0 0
+ 6 7 1 0 0 0
+ 6 41 1 0 0 0
+ 7 8 2 0 0 0
+ 7 42 1 0 0 0
+ 8 43 1 0 0 0
+ 9 10 1 0 0 0
+ 9 36 1 0 0 0
+ 10 11 1 0 0 0
+ 10 28 1 0 0 0
+ 10 44 1 0 0 0
+ 11 12 2 0 0 0
+ 11 27 1 0 0 0
+ 12 13 1 0 0 0
+ 12 45 1 0 0 0
+ 13 14 2 0 0 0
+ 13 46 1 0 0 0
+ 14 15 1 0 0 0
+ 14 26 1 0 0 0
+ 15 16 1 0 0 0
+ 16 17 1 0 0 0
+ 16 47 1 0 0 0
+ 16 48 1 0 0 0
+ 17 18 1 0 0 0
+ 17 25 1 0 0 0
+ 17 49 1 0 0 0
+ 18 19 1 0 0 0
+ 18 50 1 0 0 0
+ 18 51 1 0 0 0
+ 19 20 1 0 0 0
+ 19 52 1 0 0 0
+ 19 53 1 0 0 0
+ 20 21 1 0 0 0
+ 20 25 1 0 0 0
+ 20 54 1 0 0 0
+ 21 22 1 0 0 0
+ 21 55 1 0 0 0
+ 21 56 1 0 0 0
+ 22 23 1 0 0 0
+ 22 57 1 0 0 0
+ 22 58 1 0 0 0
+ 23 24 1 0 0 0
+ 23 59 1 0 0 0
+ 23 60 1 0 0 0
+ 25 61 1 0 0 0
+ 25 62 1 0 0 0
+ 26 27 2 0 0 0
+ 26 63 1 0 0 0
+ 27 64 1 0 0 0
+ 28 29 2 0 0 0
+ 28 34 1 0 0 0
+ 29 30 1 0 0 0
+ 29 65 1 0 0 0
+ 30 31 2 0 0 0
+ 30 66 1 0 0 0
+ 31 32 1 0 0 0
+ 31 33 1 0 0 0
+ 32 67 1 0 0 0
+ 33 34 2 0 0 0
+ 33 68 1 0 0 0
+ 34 35 1 0 0 0
+ 35 36 1 0 0 0
+ 35 69 1 0 0 0
+ 35 70 1 0 0 0
+ 36 37 1 0 0 0
+ 36 38 1 0 0 0
+ 37 38 1 0 0 0
+ 37 71 1 0 0 0
+ 37 72 1 0 0 0
+ 38 73 1 0 0 0
+ 38 74 1 0 0 0
+M END
+$$$$
diff --git a/examples/scoring/reference.cif.gz b/examples/scoring/reference.cif.gz
new file mode 100644
index 0000000000000000000000000000000000000000..2525de53c1067aee4a0c2f841704d56dbc9f7b19
Binary files /dev/null and b/examples/scoring/reference.cif.gz differ
diff --git a/modules/doc/install.rst b/modules/doc/install.rst
index 42cf59b918bcc27161421c9ff6cbd36bb4407e05..3bc926de82a785a530659a0f7797812c5227ab94 100644
--- a/modules/doc/install.rst
+++ b/modules/doc/install.rst
@@ -310,108 +310,58 @@ observed for OpenMM versions 6.1 until 7.1.1 when compiling with gcc versions >=
from source.
-**Ubuntu 20.04 LTS / Debian 10 with GUI**
+**Ubuntu 24.04 LTS**
+Besides the molecular mechanics module, we also enable parasail here.
All the dependencies can be installed from the package manager as follows:
.. code-block:: bash
sudo apt-get install cmake g++ libtiff-dev libfftw3-dev libeigen3-dev \
libpng-dev python3-all python3-pyqt5 libboost-all-dev \
- qt5-qmake qtbase5-dev libpng-dev libsqlite3-dev
+ qt5-qmake qtbase5-dev libpng-dev libsqlite3-dev \
+ libopenmm-dev libopenmm-plugins libparasail-dev
Now, all dependencies are located in standard locations and cmake will
-automatically find them without the need to pass any additional parameters.
-We add -DOPTIMIZE, which will tell cmake to build an optimised version of
-OpenStructure.
+automatically find them. As a single quirk, we need to specify the
+OpenMM plugin directory. Lets do a proper out of source build here:
.. code-block:: bash
- cmake . -DOPTIMIZE=ON
+ mkdir build
+ cd build
+ cmake .. -DOPTIMIZE=ON -DENABLE_MM=1 -DENABLE_PARASAIL=1 \
+ -DOPEN_MM_PLUGIN_DIR=/lib/x86_64-linux-gnu/openmm/plugins
+Building the Project
+--------------------------------------------------------------------------------
+Type ``make``. If you are using a multi-core machine, you can use the `-j` flag
+to run multiple jobs at once.
+What's next?
+--------------------------------------------------------------------------------
-**macOS (Catalina/ Big Sur/ Monterey) with Homebrew**
-
-.. note::
-
- When switching the Qt version used for compiling OST with support for the
- graphical user interface, dng may start behaving weird. Symptoms are that the
- user interface starts being unresponsive to mouse clicks. An easy solution
- may be to close dng and remove
- ``$HOME/Library/Preferences/org.openstructure.dng.plist`` and start dng again.
-
-`Homebrew <https://brew.sh/>`_ can be used to conveniently install all
-dependencies. The current Python version, as of writing these instructions, is
-3.9.10 but works so far. Boost comes as 1.76.0 which seems to be OK. Do not
-forget to also install boost-python3 (your system may have a lower version of
-Python than 3.9.10 but it seems like boost-python3 was compiled for 3.9.10).
-Eigen and SQLite also seem to be unproblematic concerning higher version
-numbers. To build the graphical user interface, use Qt version 5 by installing
-packages qt@5 and pyqt@5 from Homebrew.
-
-If you want to build the info module or the graphical user interface, make sure
-you have the Xcode app installed. Just the Xcode command line tools which are
-sufficient for Homebrew, will not work with Qt5.
-
-Before running CMake, some environment variables need to be set on the command
-line. If omitted, the linker will throw a bunch of warnings later:
-
-.. code-block:: bash
-
- export SDKROOT=/Applications/Xcode.app/Contents/Developer/Platforms/\
- MacOSX.platform/Developer/SDKs/MacOSX.sdk
-
-If building the info module or with graphical user interface, get the Qt
-binaries in your Path for CMake to determine its configuration:
+One thing is missing for a fully functional OpenStructure installation.
+The compound library. It is used at various places for connectivity
+information and certain algorithms do not work without.
+Besides an OpenStructure executable, we just built the
+chemdict_tool which converts the PDB chemical component dictionary
+into our internal format:
.. code-block:: bash
- export PATH="/usr/local/opt/qt@5/bin:$PATH"
+ wget https://files.wwpdb.org/pub/pdb/data/monomers/components.cif.gz
+ stage/bin/chemdict_tool create components.cif.gz <compounds.chemlib>
-Homebrew installs all the software under /usr/local. Thus we have to tell cmake
-where to find Python. Also the Python headers and libraries are not located as
-they are on Linux and hence they must be specified too. To get rid of a ton of
-compilation warnings from third party software, we add some dedicated C flags:
+We can rerun cmake and make. All cmake parameters from the original
+configuration remain in the cache.
.. code-block:: bash
- cmake . -DPython_INCLUDE_DIRS=/usr/local/opt/python@3.9/Frameworks/\
- Python.framework/Versions/Current/include/python3.9/ \
- -DPython_LIBRARIES=/usr/local/opt/python@3.9/Frameworks/\
- Python.framework/Versions/Current/lib/libpython3.9.dylib \
- -DPython_ROOT_DIR=/usr/local/opt/python@3.9/ \
- -DBOOST_ROOT=/usr/local \
- -DSYS_ROOT=/usr/local \
- -DOPTIMIZE=ON \
- -DCMAKE_C_FLAGS="-isystem /Applications/Xcode.app/Contents/\
- Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX.sdk/System/\
- Library/Frameworks/OpenGL.framework/Headers/ -isystem /usr/local/opt/\
- qt@5/lib/QtCore.framework/Headers/ -isystem /usr/local/opt/qt@5/lib/\
- QtWidgets.framework/Headers/ -isystem /Applications/Xcode.app/\
- Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/\
- MacOSX.sdk/System/Library/Frameworks/Security.framework/ \
- -isystem /usr/local/opt/qt@5/lib/QtGui.framework/Headers/" \
- -DCMAKE_CXX_FLAGS="-isystem /Applications/Xcode.app/\
- Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/MacOSX.sdk/\
- System/Library/Frameworks/OpenGL.framework/Headers/ -isystem /usr/local/opt/\
- qt@5/lib/QtCore.framework/Headers/ -isystem /usr/local/opt/qt@5/lib/\
- QtWidgets.framework/Headers/ -isystem /Applications/Xcode.app/\
- Contents/Developer/Platforms/MacOSX.platform/Developer/SDKs/\
- MacOSX.sdk/System/Library/Frameworks/Security.framework/ \
- -isystem /usr/local/opt/qt@5/lib/QtGui.framework/Headers/"
-
-Building the Project
---------------------------------------------------------------------------------
-
-Type ``make``. If you are using a multi-core machine, you can use the `-j` flag
-to run multiple jobs at once.
-
-
-What's next?
---------------------------------------------------------------------------------
+ cmake .. -DCOMPOUND_LIB=<compounds.chemlib>
+ make
On Linux and macOS, you can start dng from the command-line. The binaries are
all located in stage/bin:
@@ -426,6 +376,12 @@ or, to start the command-line interpreter:
stage/bin/ost
+But hey, good citizen run the unit tests first:
+
+.. code-block:: bash
+
+ make check
+
If you repeatedly use OpenStructure, it is recommended to add
/path/to/ost/stage/bin to your path.
diff --git a/singularity/Singularity b/singularity/Singularity
index 43b2fd13afc1618e25b11ef52c4716036d3dfdf4..16952c6347c17cec62f43ea5707d9b43f59c66a8 100644
--- a/singularity/Singularity
+++ b/singularity/Singularity
@@ -1,5 +1,5 @@
BootStrap: docker
-From: registry.scicore.unibas.ch/schwede/openstructure:2.9.1
+From: registry.scicore.unibas.ch/schwede/openstructure:2.9.2
%post
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# POST