From 918cc34a90240729c7b3b28940b9effe2850fefd Mon Sep 17 00:00:00 2001
From: riccardo <riccardo@localhost.localdomain>
Date: Wed, 1 Jul 2015 11:52:42 +0200
Subject: [PATCH 01/61] primo commit in git

---
 file.cc | 0
 1 file changed, 0 insertions(+), 0 deletions(-)
 create mode 100644 file.cc

diff --git a/file.cc b/file.cc
new file mode 100644
index 0000000..e69de29

From 412dcb70c2c98bc484efcba85ee1e0b8ae9543c2 Mon Sep 17 00:00:00 2001
From: riccardo <riccardo@localhost.localdomain>
Date: Wed, 1 Jul 2015 12:05:51 +0200
Subject: [PATCH 02/61] cancellato file.cc

---
 file.cc | 0
 1 file changed, 0 insertions(+), 0 deletions(-)
 delete mode 100644 file.cc

diff --git a/file.cc b/file.cc
deleted file mode 100644
index e69de29..0000000

From c606f0603c8734ebefc2dbac1c9df820ab0bccc5 Mon Sep 17 00:00:00 2001
From: riccardo <riccardo@localhost.localdomain>
Date: Wed, 1 Jul 2015 15:09:55 +0200
Subject: [PATCH 03/61] Ambiente di lavoro settato, SI PARTE

---
 Biopool/APPS/Makefile |   6 +++---
 Biopool/APPS/mobi     | Bin 0 -> 750654 bytes
 Biopool/APPS/mobi.cc  |  35 +++++++++++++++++++++++++++++++++++
 3 files changed, 38 insertions(+), 3 deletions(-)
 create mode 100755 Biopool/APPS/mobi
 create mode 100644 Biopool/APPS/mobi.cc

diff --git a/Biopool/APPS/Makefile b/Biopool/APPS/Makefile
index cb26b82..31ca59b 100644
--- a/Biopool/APPS/Makefile
+++ b/Biopool/APPS/Makefile
@@ -27,13 +27,13 @@ INC_PATH = -I. -I../../tools/ -I../../Biopool/Sources -I../../Energy/Sources -I.
 #
 
 SOURCES =   PdbCorrector.cc PdbSecondary.cc PdbEditor.cc Pdb2Seq.cc pdb2secondary.cc pdbshifter.cc \
-	pdbMover.cc
+	pdbMover.cc mobi.cc
 
 OBJECTS =   PdbCorrector.o PdbSecondary.o PdbEditor.o Pdb2Seq.o pdb2secondary.o pdbshifter.o \
-	pdbMover.o
+	pdbMover.o mobi.o
 
 TARGETS = PdbCorrector PdbSecondary PdbEditor Pdb2Seq pdb2secondary pdbshifter \
-	pdbMover
+	pdbMover mobi
 
 EXECS = PdbCorrector PdbSecondary PdbEditor Pdb2Seq pdb2secondary pdbshifter \
 	pdbMover
diff --git a/Biopool/APPS/mobi b/Biopool/APPS/mobi
new file mode 100755
index 0000000000000000000000000000000000000000..14e24b2d5b87a1e858ad4c4acf70a175ed1b6758
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diff --git a/Biopool/APPS/mobi.cc b/Biopool/APPS/mobi.cc
new file mode 100644
index 0000000..e8a1016
--- /dev/null
+++ b/Biopool/APPS/mobi.cc
@@ -0,0 +1,35 @@
+ #include <PdbLoader.h>
+ #include <Protein.h>
+ #include <iostream>
+
+ 
+
+  using namespace Victor::Biopool;
+  using namespace Victor; 
+
+ 
+
+  int main( int argc, char* argv[] ) {
+
+ 
+
+    // string inputFile = "/home/riccardo/mobi/1AB2_input.pdb";
+    string inputFile = "/home/riccardo/Victor/Biopool/Tests/data/3DFR.pdb";
+
+
+     ifstream inFile( inputFile.c_str() );
+
+     PdbLoader pl(inFile);    // creates the PdbLoader object
+
+ 
+
+     Protein prot;            
+
+     prot.load( pl );         // creates the Protein object
+
+	cout << "!!!!!!!!!!!!!!!!!" << endl;
+        
+	cout << prot.getChainLetter (0) << endl;
+	
+
+  }

From 383eaf0b3959ed6e8f8997c748609e79b200a00f Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Thu, 2 Jul 2015 18:00:44 +0200
Subject: [PATCH 04/61] Start project

---
 Biopool/APPS/Makefile |   6 +++---
 Biopool/APPS/mobi     | Bin 750654 -> 0 bytes
 Biopool/APPS/mobi.cc  |  35 -----------------------------------
 Makefile              |   6 +++---
 Makefile.global       |   6 +++---
 5 files changed, 9 insertions(+), 44 deletions(-)
 delete mode 100755 Biopool/APPS/mobi
 delete mode 100644 Biopool/APPS/mobi.cc

diff --git a/Biopool/APPS/Makefile b/Biopool/APPS/Makefile
index 31ca59b..cb26b82 100644
--- a/Biopool/APPS/Makefile
+++ b/Biopool/APPS/Makefile
@@ -27,13 +27,13 @@ INC_PATH = -I. -I../../tools/ -I../../Biopool/Sources -I../../Energy/Sources -I.
 #
 
 SOURCES =   PdbCorrector.cc PdbSecondary.cc PdbEditor.cc Pdb2Seq.cc pdb2secondary.cc pdbshifter.cc \
-	pdbMover.cc mobi.cc
+	pdbMover.cc
 
 OBJECTS =   PdbCorrector.o PdbSecondary.o PdbEditor.o Pdb2Seq.o pdb2secondary.o pdbshifter.o \
-	pdbMover.o mobi.o
+	pdbMover.o
 
 TARGETS = PdbCorrector PdbSecondary PdbEditor Pdb2Seq pdb2secondary pdbshifter \
-	pdbMover mobi
+	pdbMover
 
 EXECS = PdbCorrector PdbSecondary PdbEditor Pdb2Seq pdb2secondary pdbshifter \
 	pdbMover
diff --git a/Biopool/APPS/mobi b/Biopool/APPS/mobi
deleted file mode 100755
index 14e24b2d5b87a1e858ad4c4acf70a175ed1b6758..0000000000000000000000000000000000000000
GIT binary patch
literal 0
HcmV?d00001

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diff --git a/Biopool/APPS/mobi.cc b/Biopool/APPS/mobi.cc
deleted file mode 100644
index e8a1016..0000000
--- a/Biopool/APPS/mobi.cc
+++ /dev/null
@@ -1,35 +0,0 @@
- #include <PdbLoader.h>
- #include <Protein.h>
- #include <iostream>
-
- 
-
-  using namespace Victor::Biopool;
-  using namespace Victor; 
-
- 
-
-  int main( int argc, char* argv[] ) {
-
- 
-
-    // string inputFile = "/home/riccardo/mobi/1AB2_input.pdb";
-    string inputFile = "/home/riccardo/Victor/Biopool/Tests/data/3DFR.pdb";
-
-
-     ifstream inFile( inputFile.c_str() );
-
-     PdbLoader pl(inFile);    // creates the PdbLoader object
-
- 
-
-     Protein prot;            
-
-     prot.load( pl );         // creates the Protein object
-
-	cout << "!!!!!!!!!!!!!!!!!" << endl;
-        
-	cout << prot.getChainLetter (0) << endl;
-	
-
-  }
diff --git a/Makefile b/Makefile
index c0f7aa4..657c031 100644
--- a/Makefile
+++ b/Makefile
@@ -7,7 +7,7 @@
 # Path to project directory.
 UPDIR = .
 # Path to subdirectories.
-SUBDIRS =  tools Energy/Sources   Biopool/Sources  Align2/Sources Energy/Sources/TorsionPotential  Lobo/Sources Lobo/APPS Energy/APPS   Biopool/APPS   Align2/APPS
+SUBDIRS =  tools Energy/Sources   Biopool/Sources  Align2/Sources Energy/Sources/TorsionPotential  Lobo/Sources Lobo/APPS	Energy/APPS	Biopool/APPS	Align2/APPS	Mobi/Sources	Mobi/APPS
 
 #
 # Libraries and paths (which are not defined globally).
@@ -27,8 +27,8 @@ BINPATH = bin
 
 SOURCES =
 OBJECTS =
-EXECS =
-TARGET  =
+EXECS	=
+TARGET 	=
 LIBRARY =
 
 #
diff --git a/Makefile.global b/Makefile.global
index 1f78a89..d571ae4 100644
--- a/Makefile.global
+++ b/Makefile.global
@@ -106,11 +106,11 @@ SUBDIRS += _dummy_
 
 LIB_PATH += -L$(UPDIR)/lib
 
-INC_PATH += -I$(UPDIR)/tools -I$(UPDIR)/Energy/Sources   -I$(UPDIR)/Biopool/Sources -I$(UPDIR)/Energy/Sources/TorsionPotential     -I$(UPDIR)/Lobo/Sources  -I$(UPDIR)/Align2/Sources  -I$(UPDIR)/Biopool/APPS -I$(UPDIR)/Energy/APPS -I$(UPDIR)/Align2/APPS  -I$(UPDIR)/Lobo/APPS
+INC_PATH += -I$(UPDIR)/tools -I$(UPDIR)/Energy/Sources   -I$(UPDIR)/Biopool/Sources -I$(UPDIR)/Energy/Sources/TorsionPotential     -I$(UPDIR)/Lobo/Sources  -I$(UPDIR)/Align2/Sources -I$(UPDIR)/Mobi/Sources  -I$(UPDIR)/Biopool/APPS -I$(UPDIR)/Energy/APPS -I$(UPDIR)/Align2/APPS  -I$(UPDIR)/Lobo/APPS -I$(UPDIR)/Mobi/APPS
 
 ifdef test
-  INC_PATH += -I$(UPDIR)/Biopool/Tests -I$(UPDIR)/Energy/Tests -I$(UPDIR)/Align2/Tests -I$(UPDIR)/Lobo/Tests
-  SUBDIRS =  Biopool/Tests Energy/Tests Align2/Tests Lobo/Tests
+  INC_PATH += -I$(UPDIR)/Biopool/Tests -I$(UPDIR)/Energy/Tests -I$(UPDIR)/Align2/Tests -I$(UPDIR)/Lobo/Tests -I$(UPDIR)/Mobi/Tests
+  SUBDIRS =  Biopool/Tests Energy/Tests Align2/Tests Lobo/Tests Mobi/Tests
 endif
 
 ####### Implicit rules

From 02e8d1c753feeb48dc534e048163fed835b68011 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Sun, 5 Jul 2015 18:33:15 +0200
Subject: [PATCH 05/61] delete redundance line

---
 Biopool/Sources/Protein.cc | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/Biopool/Sources/Protein.cc b/Biopool/Sources/Protein.cc
index 6c9dbfe..b424590 100644
--- a/Biopool/Sources/Protein.cc
+++ b/Biopool/Sources/Protein.cc
@@ -18,9 +18,9 @@
 // Includes:
 #include <Protein.h>
 #include <iostream>
-using namespace std;
-using namespace Victor; using namespace Victor::Biopool;
 
+using namespace std;
+using namespace Victor;
 using namespace Victor::Biopool;
 
 // CONSTRUCTORS/DESTRUCTOR:

From 1fdb574342f8d89a1a138b757d0dd85ab3444188 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Sun, 5 Jul 2015 18:34:46 +0200
Subject: [PATCH 06/61] create ProteinModels and relative metods

---
 .cproject                       |   60 +
 .project                        |   27 +
 .settings/language.settings.xml |   15 +
 Mobi/APPS/Makefile              |   54 +
 Mobi/APPS/mobi.cc               |  154 +++
 Mobi/APPS/mobi.o                |  Bin 0 -> 20176 bytes
 Mobi/Sources/Makefile           |   62 +
 Mobi/Sources/ProteinModels.cc   |  124 ++
 Mobi/Sources/ProteinModels.h    |   75 +
 Mobi/Sources/ProteinModels.o    |  Bin 0 -> 45136 bytes
 Mobi/data/stdout0               | 1695 +++++++++++++++++++++++
 Mobi/data/stdout1               | 1695 +++++++++++++++++++++++
 Mobi/data/stdout2               | 1695 +++++++++++++++++++++++
 Mobi/data/stdout3               | 1695 +++++++++++++++++++++++
 documentation.Doxyfile          | 2303 +++++++++++++++++++++++++++++++
 doxyconf.doxyfile               | 1432 +++++++++++++++++++
 16 files changed, 11086 insertions(+)
 create mode 100644 .cproject
 create mode 100644 .project
 create mode 100644 .settings/language.settings.xml
 create mode 100644 Mobi/APPS/Makefile
 create mode 100644 Mobi/APPS/mobi.cc
 create mode 100644 Mobi/APPS/mobi.o
 create mode 100644 Mobi/Sources/Makefile
 create mode 100644 Mobi/Sources/ProteinModels.cc
 create mode 100644 Mobi/Sources/ProteinModels.h
 create mode 100644 Mobi/Sources/ProteinModels.o
 create mode 100644 Mobi/data/stdout0
 create mode 100644 Mobi/data/stdout1
 create mode 100644 Mobi/data/stdout2
 create mode 100644 Mobi/data/stdout3
 create mode 100644 documentation.Doxyfile
 create mode 100644 doxyconf.doxyfile

diff --git a/.cproject b/.cproject
new file mode 100644
index 0000000..63da05e
--- /dev/null
+++ b/.cproject
@@ -0,0 +1,60 @@
+<?xml version="1.0" encoding="UTF-8" standalone="no"?>
+<?fileVersion 4.0.0?><cproject storage_type_id="org.eclipse.cdt.core.XmlProjectDescriptionStorage">
+	<storageModule moduleId="org.eclipse.cdt.core.settings">
+		<cconfiguration id="cdt.managedbuild.toolchain.gnu.cross.base.679775953">
+			<storageModule buildSystemId="org.eclipse.cdt.managedbuilder.core.configurationDataProvider" id="cdt.managedbuild.toolchain.gnu.cross.base.679775953" moduleId="org.eclipse.cdt.core.settings" name="Default">
+				<externalSettings/>
+				<extensions>
+					<extension id="org.eclipse.cdt.core.GmakeErrorParser" point="org.eclipse.cdt.core.ErrorParser"/>
+					<extension id="org.eclipse.cdt.core.CWDLocator" point="org.eclipse.cdt.core.ErrorParser"/>
+					<extension id="org.eclipse.cdt.core.GCCErrorParser" point="org.eclipse.cdt.core.ErrorParser"/>
+					<extension id="org.eclipse.cdt.core.GASErrorParser" point="org.eclipse.cdt.core.ErrorParser"/>
+					<extension id="org.eclipse.cdt.core.GLDErrorParser" point="org.eclipse.cdt.core.ErrorParser"/>
+					<extension id="org.eclipse.cdt.core.ELF" point="org.eclipse.cdt.core.BinaryParser"/>
+				</extensions>
+			</storageModule>
+			<storageModule moduleId="cdtBuildSystem" version="4.0.0">
+				<configuration buildProperties="" description="" id="cdt.managedbuild.toolchain.gnu.cross.base.679775953" name="Default" parent="org.eclipse.cdt.build.core.emptycfg">
+					<folderInfo id="cdt.managedbuild.toolchain.gnu.cross.base.679775953.1817176364" name="/" resourcePath="">
+						<toolChain id="cdt.managedbuild.toolchain.gnu.cross.base.1114783033" name="Cross GCC" superClass="cdt.managedbuild.toolchain.gnu.cross.base">
+							<option id="cdt.managedbuild.option.gnu.cross.prefix.258209284" name="Prefix" superClass="cdt.managedbuild.option.gnu.cross.prefix"/>
+							<option id="cdt.managedbuild.option.gnu.cross.path.509310917" name="Path" superClass="cdt.managedbuild.option.gnu.cross.path"/>
+							<targetPlatform archList="all" binaryParser="org.eclipse.cdt.core.ELF" id="cdt.managedbuild.targetPlatform.gnu.cross.265199028" isAbstract="false" osList="all" superClass="cdt.managedbuild.targetPlatform.gnu.cross"/>
+							<builder arguments="-f Makefile" command="make" id="cdt.managedbuild.builder.gnu.cross.926951898" incrementalBuildTarget="install" keepEnvironmentInBuildfile="false" managedBuildOn="false" name="Gnu Make Builder" parallelBuildOn="true" parallelizationNumber="optimal" superClass="cdt.managedbuild.builder.gnu.cross"/>
+							<tool id="cdt.managedbuild.tool.gnu.cross.c.compiler.933527225" name="Cross GCC Compiler" superClass="cdt.managedbuild.tool.gnu.cross.c.compiler">
+								<inputType id="cdt.managedbuild.tool.gnu.c.compiler.input.1818742666" superClass="cdt.managedbuild.tool.gnu.c.compiler.input"/>
+							</tool>
+							<tool id="cdt.managedbuild.tool.gnu.cross.cpp.compiler.2056037131" name="Cross G++ Compiler" superClass="cdt.managedbuild.tool.gnu.cross.cpp.compiler">
+								<inputType id="cdt.managedbuild.tool.gnu.cpp.compiler.input.1189602384" superClass="cdt.managedbuild.tool.gnu.cpp.compiler.input"/>
+							</tool>
+							<tool id="cdt.managedbuild.tool.gnu.cross.c.linker.1387695238" name="Cross GCC Linker" superClass="cdt.managedbuild.tool.gnu.cross.c.linker"/>
+							<tool id="cdt.managedbuild.tool.gnu.cross.cpp.linker.2007520852" name="Cross G++ Linker" superClass="cdt.managedbuild.tool.gnu.cross.cpp.linker">
+								<inputType id="cdt.managedbuild.tool.gnu.cpp.linker.input.1458424534" superClass="cdt.managedbuild.tool.gnu.cpp.linker.input">
+									<additionalInput kind="additionalinputdependency" paths="$(USER_OBJS)"/>
+									<additionalInput kind="additionalinput" paths="$(LIBS)"/>
+								</inputType>
+							</tool>
+							<tool id="cdt.managedbuild.tool.gnu.cross.archiver.31449503" name="Cross GCC Archiver" superClass="cdt.managedbuild.tool.gnu.cross.archiver"/>
+							<tool id="cdt.managedbuild.tool.gnu.cross.assembler.339030466" name="Cross GCC Assembler" superClass="cdt.managedbuild.tool.gnu.cross.assembler">
+								<inputType id="cdt.managedbuild.tool.gnu.assembler.input.1385081327" superClass="cdt.managedbuild.tool.gnu.assembler.input"/>
+							</tool>
+						</toolChain>
+					</folderInfo>
+				</configuration>
+			</storageModule>
+			<storageModule moduleId="org.eclipse.cdt.core.externalSettings"/>
+		</cconfiguration>
+	</storageModule>
+	<storageModule moduleId="cdtBuildSystem" version="4.0.0">
+		<project id="Mobi.null.747390746" name="Mobi"/>
+	</storageModule>
+	<storageModule moduleId="scannerConfiguration">
+		<autodiscovery enabled="true" problemReportingEnabled="true" selectedProfileId=""/>
+	</storageModule>
+	<storageModule moduleId="org.eclipse.cdt.core.LanguageSettingsProviders"/>
+	<storageModule moduleId="refreshScope" versionNumber="2">
+		<configuration configurationName="Default">
+			<resource resourceType="PROJECT" workspacePath="/Mobi"/>
+		</configuration>
+	</storageModule>
+</cproject>
diff --git a/.project b/.project
new file mode 100644
index 0000000..9ac00be
--- /dev/null
+++ b/.project
@@ -0,0 +1,27 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<projectDescription>
+	<name>Mobi</name>
+	<comment></comment>
+	<projects>
+	</projects>
+	<buildSpec>
+		<buildCommand>
+			<name>org.eclipse.cdt.managedbuilder.core.genmakebuilder</name>
+			<triggers>clean,full,incremental,</triggers>
+			<arguments>
+			</arguments>
+		</buildCommand>
+		<buildCommand>
+			<name>org.eclipse.cdt.managedbuilder.core.ScannerConfigBuilder</name>
+			<triggers>full,incremental,</triggers>
+			<arguments>
+			</arguments>
+		</buildCommand>
+	</buildSpec>
+	<natures>
+		<nature>org.eclipse.cdt.core.cnature</nature>
+		<nature>org.eclipse.cdt.core.ccnature</nature>
+		<nature>org.eclipse.cdt.managedbuilder.core.managedBuildNature</nature>
+		<nature>org.eclipse.cdt.managedbuilder.core.ScannerConfigNature</nature>
+	</natures>
+</projectDescription>
diff --git a/.settings/language.settings.xml b/.settings/language.settings.xml
new file mode 100644
index 0000000..9a57648
--- /dev/null
+++ b/.settings/language.settings.xml
@@ -0,0 +1,15 @@
+<?xml version="1.0" encoding="UTF-8" standalone="no"?>
+<project>
+	<configuration id="cdt.managedbuild.toolchain.gnu.cross.base.679775953" name="Default">
+		<extension point="org.eclipse.cdt.core.LanguageSettingsProvider">
+			<provider copy-of="extension" id="org.eclipse.cdt.ui.UserLanguageSettingsProvider"/>
+			<provider-reference id="org.eclipse.cdt.core.ReferencedProjectsLanguageSettingsProvider" ref="shared-provider"/>
+			<provider class="org.eclipse.cdt.managedbuilder.language.settings.providers.GCCBuildCommandParser" id="org.eclipse.cdt.managedbuilder.core.GCCBuildCommandParser" keep-relative-paths="false" name="CDT GCC Build Output Parser" parameter="(gcc)|([gc]\+\+)|(clang)" prefer-non-shared="true"/>
+			<provider class="org.eclipse.cdt.internal.build.crossgcc.CrossGCCBuiltinSpecsDetector" console="false" env-hash="-1600407861120441063" id="org.eclipse.cdt.build.crossgcc.CrossGCCBuiltinSpecsDetector" keep-relative-paths="false" name="CDT Cross GCC Built-in Compiler Settings" parameter="${COMMAND} ${FLAGS} -E -P -v -dD &quot;${INPUTS}&quot;" prefer-non-shared="true">
+				<language-scope id="org.eclipse.cdt.core.gcc"/>
+				<language-scope id="org.eclipse.cdt.core.g++"/>
+			</provider>
+			<provider-reference id="org.eclipse.cdt.managedbuilder.core.MBSLanguageSettingsProvider" ref="shared-provider"/>
+		</extension>
+	</configuration>
+</project>
diff --git a/Mobi/APPS/Makefile b/Mobi/APPS/Makefile
new file mode 100644
index 0000000..fcd6e6d
--- /dev/null
+++ b/Mobi/APPS/Makefile
@@ -0,0 +1,54 @@
+#--*- makefile -*--------------------------------------------------------------
+#
+#   Standard makefile
+#
+#------------------------------------------------------------------------------
+
+# Path to project directory.
+UPDIR = ../..
+# Path to subdirectories.
+SUBDIR=
+# Path to directory for binaries:
+BINPATH = ../../bin
+
+
+#
+# Libraries and paths (which are not defined globally).
+#
+
+LIBS = -lMobi -lBiopool -ltools 
+
+LIB_PATH = -L.
+
+INC_PATH = -I. -I../../tools/ -I../../Biopool/Sources -I../../Mobi/Sources
+
+#
+# Objects and headers
+#
+
+SOURCES =   mobi.cc
+
+OBJECTS =   mobi.o
+
+TARGETS = mobi
+
+EXECS = mobi
+
+LIBRARY = APPSlibMobi.a
+
+#
+# Install rule
+#
+
+compile: all
+
+all: install
+install: $(LIBRARY) $(TARGETS)
+	mv $(EXECS) $(UPDIR)/bin/
+	mv $(LIBRARY) $(UPDIR)/lib/
+	
+#
+# Call global Makefile to do the job.
+#
+
+include ../../Makefile.global
diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
new file mode 100644
index 0000000..f1e9922
--- /dev/null
+++ b/Mobi/APPS/mobi.cc
@@ -0,0 +1,154 @@
+/*  This file is part of Victor.
+
+    Victor is free software: you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    Victor is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with Victor.  If not, see <http://www.gnu.org/licenses/>.
+ */
+
+// --*- C++ -*------x-----------------------------------------------------------
+//
+//
+// Description:     Mobi è un software che riceve in input
+//					un file .pdb creato con tecnologia NMR.
+//	 				Questo file contiene molti modelli della stessa proteina,
+//					li confronta e restituisce in un file di output
+//	 				le parti mobili della proteina.
+//
+//
+// -----------------x-----------------------------------------------------------
+
+
+ #include <ProteinModels.h>
+ #include <PdbSaver.h>
+ #include <string>
+ #include <GetArg.h>
+ #include <Debug.h>
+ 
+
+  using namespace Victor;
+  using namespace Victor::Biopool;
+  using namespace Victor::Mobi;
+
+
+
+ void sShowHelp(){
+
+	 cout << "NAME" << endl;
+	 cout << "\t mobi" << endl;
+
+	 cout << "SYNOPSIS" << endl;
+	 cout << "\t mobi [FILE]... [OPTION]..." << endl;
+
+	 cout << "DESCRIPTION \n" << endl;
+	 cout << "\t Mobi è un software che riceve in input un file .pdb creato con tecnologia NMR." << endl;
+	 cout << "\t Questo file contiene molti modelli della stessa proteina, li confronta e restituisce in un file di output " << endl;
+	 cout << "\t le parti mobili della proteina." << endl;
+
+	 cout << "\n" <<endl;
+
+	 cout << "\t -v  verbose output. \n" <<endl;
+	 cout << "\t -o [FILE OUTPUT]  Output to file (default stdout)\n" <<endl;
+	 cout << "\t -h  help" << endl;
+
+	 exit (EXIT_SUCCESS);
+
+
+ }
+
+
+
+
+  int main( int argc, char* argv[] ) {
+
+	  bool v;
+	  string inputFile, outputFile, outputFile_1;
+	  string input;
+
+
+
+	  //guide with -h option
+	  if (getArg("h", argc, argv)) {
+	          sShowHelp();
+	          return 1;
+	      }
+	 if (argc == 1){
+		 	 sShowHelp();
+	 		 return 1;
+	 }
+
+
+	 cout << "Welcome to Mobi!" << endl;
+
+	 //loan pdb file from input
+	 inputFile = argv[1];
+
+     ifstream inFile(inputFile.c_str());
+
+     if (!inFile)
+       ERROR("Error opening input .pdb file.", exception);
+
+
+     getArg("o", outputFile, argc, argv, "!");
+     v = getArg("v", argc, argv);
+
+
+     PdbLoader pl(inFile);    // creates the PdbLoader object
+
+     ProteinModels prot;
+//     Protein prot;
+
+     if (v){
+    	 pl.setVerbose();
+    	 prot.setVerbose();
+     }else
+    	 pl.setNoVerbose();
+
+     //method that ask how much models load in protein
+
+     do {
+		cout << "Questo file pdb contiene ";
+		cout << pl.getMaxModels() << endl;
+
+		cout << "Vuoi caricare tutti i modelli? [y/n]" << endl;
+		getline(cin, input);
+		//		cin >> input;
+
+	} while ((strcmp(input.c_str(), "y"))!=0 && (strcmp(input.c_str(), "n"))!=0);//(!cin.fail() && input != 'y' && input != 'n');
+
+
+     if ((strcmp(input.c_str(), "y"))==0){
+    	// cin.ignore();
+//    	 cout << "1" << endl;
+    	 prot.load(pl);
+//    	 cout << "2" << endl;
+     }
+     else{
+    	 //cin.ignore();
+//    	 cout << "1111" << endl;
+    	 prot.loadSameModels(pl);
+//    	 cout << "22" << endl;
+     }
+
+
+     /////////////////////////////////////////////////////////////////////
+
+     if (outputFile != "!"){
+    	outputFile="/home/riccardo/Victor/Mobi/data/" + outputFile;
+  	  }	else outputFile="/home/riccardo/Victor/Mobi/data/stdout";
+
+
+     // Open the proper output stream (file or stdout)
+
+       prot.save(prot, outputFile);
+
+       return 0;
+  }
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
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diff --git a/Mobi/Sources/Makefile b/Mobi/Sources/Makefile
new file mode 100644
index 0000000..7b72f41
--- /dev/null
+++ b/Mobi/Sources/Makefile
@@ -0,0 +1,62 @@
+#--*- makefile -*--------------------------------------------------------------
+#
+#   Standard makefile
+#
+#------------------------------------------------------------------------------
+
+# Path to project directory.
+UPDIR = ../..
+# Path to subdirectories.
+SUBDIR = ../../tools
+# Path to directory for binaries:
+BINPATH = ../../bin
+
+
+#
+# Libraries and paths (which are not defined globally).
+#
+
+LIBS = -lBiopool -ltools
+
+LIB_PATH = -L.
+
+INC_PATH = -I. -I../../tools -I../../Biopool/Sources
+
+#
+# Objects and headers
+#
+ 
+
+SOURCES = 	 ProteinModels.cc
+
+
+OBJECTS = 	 ProteinModels.o
+
+
+TARGETS =   
+
+EXECS =   
+
+LIBRARY = libMobi.a
+
+#
+# Install rule
+#
+
+#start: subdirs
+
+compile: all
+
+allinstall: $(LIBRARY) $(TARGETS) 
+	    mv $(LIBRARY) $(UPDIR)/lib/
+	 
+
+install: subinstall allinstall
+
+all: install
+#
+# Call global Makefile to do the job.
+#
+
+include ../../Makefile.global
+
diff --git a/Mobi/Sources/ProteinModels.cc b/Mobi/Sources/ProteinModels.cc
new file mode 100644
index 0000000..605cf3f
--- /dev/null
+++ b/Mobi/Sources/ProteinModels.cc
@@ -0,0 +1,124 @@
+#include <iostream>
+#include <ProteinModels.h>
+#include <String2Number.h>
+#include <PdbSaver.h>
+
+using namespace Victor;
+using namespace Victor::Mobi;
+using namespace Victor::Biopool;
+
+
+
+ProteinModels::ProteinModels() : Protein(), verbose(false) {}
+
+ProteinModels::ProteinModels(const Protein& _orig) : Protein(_orig), verbose(false) {}
+
+ProteinModels::~ProteinModels() {}
+
+// PREDICATES:
+
+/**
+ *   Return a pointer to the Spacer with the requested chainID
+ * @param c (char), the chainID
+ * @return A pointer to the Spacer
+ */
+void ProteinModels::load(PdbLoader& pl) {
+	if (!verbose)
+		pl.setNoVerbose();
+//Load Models
+	for (unsigned int i = 1; i <= pl.getMaxModels(); i++) {
+		if (verbose)
+			cout << ">>>model#" << i << endl;
+		pl.setModel(i);
+		pl.checkModel();
+		this->Protein::load(pl);
+	}
+}
+
+
+/**
+ *   Return a pointer to the Spacer with the requested chainID
+ * @param c (char), the chainID
+ * @return A pointer to the Spacer
+ */
+unsigned int ProteinModels::selectModels(PdbLoader& pl){
+
+	 unsigned int modelNum;
+	 string input;
+
+
+	 cout << "Quanti ne vuoi caricare? Inserisci un valore compreso tra 2 e ";
+	 cout << pl.getMaxModels() << endl;
+
+
+	 getline(cin, input);
+
+
+	 modelNum = stouiDEF(input);
+
+	 while (modelNum > pl.getMaxModels() || modelNum < 2)
+		{
+		 cerr << "Number of models selected out of bounds! Reinput please..." << endl;
+		 getline(cin, input);
+		 modelNum = stouiDEF(input);
+
+		}
+
+	 return modelNum;
+
+ }
+
+
+/**
+ *   Return a pointer to the Spacer with the requested chainID
+ * @param c (char), the chainID
+ * @return A pointer to the Spacer
+ */
+void ProteinModels::loadSameModels(PdbLoader& pl){
+
+		 unsigned int modelNum = selectModels(pl);
+
+ 		 for (unsigned int i=1; i<= modelNum; i++)
+ 		     {
+ 			 	 if (verbose)
+ 			 		 cout << "\t>>>model#" << i << endl;
+ 		    	 pl.setModel(i);		  //dal pdb loader scelgo il modello da caricare nella proteina
+ 		    	 pl.checkModel();
+ 		    	 this->Protein::load(pl);          // creates the Protein object
+ 		     }
+ 		     cout << "modelli caricati nella proteina" << endl;
+
+ }
+
+
+
+void ProteinModels::save(ProteinModels& prot, string outputFile){
+
+	ofstream fout;			//stream in output
+	string outputFile_1;
+	PdbSaver ps(fout);
+
+	// Open the proper output stream (file or stdout)
+	for (unsigned int i = 0; i < prot.size(); i++) {
+
+
+		outputFile_1 = outputFile + (itosDEF(i)) + ".pdb";
+
+		if (verbose)
+			cout << outputFile_1 << endl;
+
+		fout.open(outputFile_1.c_str());
+
+		if (!fout) {
+			ERROR("Could not open file for writing.", exception);
+		} else
+			ps.saveSpacer(*(prot.getSpacer(i)));
+
+		ps.endFile();
+		fout.close();
+
+		if (verbose)
+			cout << "file chiuso" << endl;
+	}
+
+}
diff --git a/Mobi/Sources/ProteinModels.h b/Mobi/Sources/ProteinModels.h
new file mode 100644
index 0000000..77ab85d
--- /dev/null
+++ b/Mobi/Sources/ProteinModels.h
@@ -0,0 +1,75 @@
+/* This file is part of Victor
+Victor is free software: you can redistribute it and/or modify
+it under the terms of the GNU General Public License as published by
+the Free Software Foundation, either version 3 of the License, or
+(at your option) any later version.
+Victor is distributed in the hope that it will be useful,
+but WITHOUT ANY WARRANTY; without even the implied warranty of
+MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+GNU General Public License for more details.
+You should have received a copy of the GNU General Public License
+along with Victor. If not, see <http://www.gnu.org/licenses/>.
+*/
+/**
+* @file PreteinModel.h
+* @author Riccardo Zanella
+* @date Lug 2015
+* @version 0.1
+*/
+#ifndef MOBI_SOURCES_PROTEINMODEL_
+#define MOBI_SOURCES_PROTEINMODEL_
+
+#include<Protein.h>
+#include<PdbLoader.h>
+#include<AtomCode.h>
+
+
+using namespace Victor::Biopool;
+
+namespace Victor { namespace Mobi {
+/**
+* @brief Extends Protein class with functionalities related to manipulation of NMR model and models comparations.
+* Scale Distance metric is provided.
+*/
+class ProteinModels : public Protein{
+
+
+public:
+
+	 // CONSTRUCTORS/DESTRUCTOR:
+	ProteinModels()	;
+
+	ProteinModels(const Protein& _orig);
+
+	~ProteinModels();
+
+
+
+	// PREDICATES:
+
+	//void load(PdbLoader& pl, char chain, vector<unsigned int> models);
+
+	void load(PdbLoader& pl);
+
+	unsigned int selectModels(PdbLoader& pl);
+
+	void loadSameModels(PdbLoader& pl);
+
+	//Spacer& getModel(unsigned int _model);
+
+	// MODIFIERS:
+
+	void setVerbose() {
+		verbose = true;
+	}
+
+	void save(ProteinModels& prot, string outputFile);
+// MODIFIERS:
+private:
+	bool verbose;
+
+
+};
+}
+}
+#endif /* MOBI_SOURCES_PROTEINMODEL_ */
diff --git a/Mobi/Sources/ProteinModels.o b/Mobi/Sources/ProteinModels.o
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z{B}V<Rp2`a#|)1usyis~(*?c!9_ASWFQ*SeknK!?R|xzpf!7H99D&R4RZbUpo1hN}
zJT35<0^ca`SpvUP;QUztR&N(LwxNys`&k#>PxwI>zLoH4#abE4z=QiEKsfeSttL@_
d+g$X+bpD_V_tRqYPcAw3+@M7Yb;|hszW}fH4i^9b

literal 0
HcmV?d00001

diff --git a/Mobi/data/stdout0 b/Mobi/data/stdout0
new file mode 100644
index 0000000..d855585
--- /dev/null
+++ b/Mobi/data/stdout0
@@ -0,0 +1,1695 @@
+SEQRES   0   109   GLY SER GLY ASN SER LEU GLU LYS HIS SER TRP TYR HIS 
+SEQRES   1   109   GLY PRO VAL SER ARG ASN ALA ALA GLU TYR LEU LEU SER 
+SEQRES   2   109   SER GLY ILE ASN GLY SER PHE LEU VAL ARG GLU SER GLU 
+SEQRES   3   109   SER SER PRO GLY GLN ARG SER ILE SER LEU ARG TYR GLU 
+SEQRES   4   109   GLY ARG VAL TYR HIS TYR ARG ILE ASN THR ALA SER ASP 
+SEQRES   5   109   GLY LYS LEU TYR VAL SER SER GLU SER ARG PHE ASN THR 
+SEQRES   6   109   LEU ALA GLU LEU VAL HIS HIS HIS SER THR VAL ALA ASP 
+SEQRES   7   109   GLY LEU ILE THR THR LEU HIS TYR PRO ALA PRO LYS ARG 
+SEQRES   9   109   GLY ILE HIS ARG ASP 
+ATOM      1  N   GLY     1       0.469  -0.694  -0.363  1.00  1.00           N
+ATOM      2  CA  GLY     1       1.265  -0.654  -1.578  1.00  1.00           C
+ATOM      3  C   GLY     1       0.476  -1.203  -2.769  1.00  1.00           C
+ATOM      4  O   GLY     1      -0.702  -0.891  -2.934  1.00  1.00           O
+ATOM      5  H1  GLY     1      -0.124  -1.516  -0.374  1.00  1.00           H
+ATOM      6  H2  GLY     1       1.083  -0.731   0.442  1.00  1.00           H
+ATOM      7  H3  GLY     1      -0.108   0.139  -0.310  1.00  1.00           H
+ATOM      8  HA2 GLY     1       1.572   0.371  -1.783  1.00  1.00           H
+ATOM      9  HA3 GLY     1       2.175  -1.238  -1.439  1.00  1.00           H
+ATOM     10  N   SER     2       1.158  -2.012  -3.568  1.00  1.00           N
+ATOM     11  CA  SER     2       0.535  -2.607  -4.737  1.00  1.00           C
+ATOM     12  C   SER     2      -0.508  -3.640  -4.306  1.00  1.00           C
+ATOM     13  O   SER     2      -0.162  -4.769  -3.962  1.00  1.00           O
+ATOM     16  H   SER     2       2.116  -2.260  -3.426  1.00  1.00           H
+ATOM     17  HA  SER     2       0.060  -1.779  -5.264  1.00  1.00           H
+ATOM     14  CB  SER     2       1.580  -3.255  -5.648  1.00  1.00           C
+ATOM     15  OG  SER     2       2.228  -4.357  -5.017  1.00  1.00           O
+ATOM     18  HB2 SER     2       1.102  -3.593  -6.567  1.00  1.00           H
+ATOM     19  HB3 SER     2       2.325  -2.511  -5.931  1.00  1.00           H
+ATOM     20  HG  SER     2       2.509  -5.026  -5.703  1.00  1.00           H
+ATOM     21  N   GLY     3      -1.763  -3.217  -4.341  1.00  1.00           N
+ATOM     22  CA  GLY     3      -2.858  -4.091  -3.959  1.00  1.00           C
+ATOM     23  C   GLY     3      -3.879  -3.347  -3.095  1.00  1.00           C
+ATOM     24  O   GLY     3      -5.078  -3.401  -3.360  1.00  1.00           O
+ATOM     25  H   GLY     3      -2.035  -2.297  -4.623  1.00  1.00           H
+ATOM     26  HA2 GLY     3      -3.347  -4.480  -4.853  1.00  1.00           H
+ATOM     27  HA3 GLY     3      -2.469  -4.949  -3.410  1.00  1.00           H
+ATOM     28  N   ASN     4      -3.364  -2.670  -2.080  1.00  1.00           N
+ATOM     29  CA  ASN     4      -4.215  -1.915  -1.175  1.00  1.00           C
+ATOM     30  C   ASN     4      -4.006  -0.419  -1.415  1.00  1.00           C
+ATOM     31  O   ASN     4      -4.969   0.343  -1.477  1.00  1.00           O
+ATOM     36  H   ASN     4      -2.387  -2.632  -1.870  1.00  1.00           H
+ATOM     37  HA  ASN     4      -5.232  -2.237  -1.404  1.00  1.00           H
+ATOM     32  CB  ASN     4      -3.869  -2.214   0.284  1.00  1.00           C
+ATOM     33  CG  ASN     4      -4.627  -1.280   1.230  1.00  1.00           C
+ATOM     34  OD1 ASN     4      -4.163  -0.209   1.590  1.00  1.00           O
+ATOM     35  ND2 ASN     4      -5.813  -1.741   1.611  1.00  1.00           N
+ATOM     38  HB2 ASN     4      -4.116  -3.250   0.517  1.00  1.00           H
+ATOM     39  HB3 ASN     4      -2.796  -2.100   0.439  1.00  1.00           H
+ATOM     40 HD21 ASN     4      -6.135  -2.628   1.279  1.00  1.00           H
+ATOM     41 HD22 ASN     4      -6.386  -1.202   2.229  1.00  1.00           H
+ATOM     42  N   SER     5      -2.742  -0.044  -1.541  1.00  1.00           N
+ATOM     43  CA  SER     5      -2.394   1.349  -1.771  1.00  1.00           C
+ATOM     44  C   SER     5      -3.005   2.228  -0.679  1.00  1.00           C
+ATOM     45  O   SER     5      -3.798   1.755   0.134  1.00  1.00           O
+ATOM     48  H   SER     5      -1.964  -0.670  -1.488  1.00  1.00           H
+ATOM     49  HA  SER     5      -1.306   1.385  -1.729  1.00  1.00           H
+ATOM     46  CB  SER     5      -2.865   1.812  -3.152  1.00  1.00           C
+ATOM     47  OG  SER     5      -4.286   1.794  -3.265  1.00  1.00           O
+ATOM     50  HB2 SER     5      -2.500   2.822  -3.338  1.00  1.00           H
+ATOM     51  HB3 SER     5      -2.432   1.169  -3.918  1.00  1.00           H
+ATOM     52  HG  SER     5      -4.702   1.826  -2.356  1.00  1.00           H
+ATOM     53  N   LEU     6      -2.611   3.494  -0.694  1.00  1.00           N
+ATOM     54  CA  LEU     6      -3.111   4.444   0.285  1.00  1.00           C
+ATOM     55  C   LEU     6      -3.925   5.525  -0.428  1.00  1.00           C
+ATOM     56  O   LEU     6      -3.757   5.744  -1.627  1.00  1.00           O
+ATOM     61  H   LEU     6      -1.966   3.871  -1.359  1.00  1.00           H
+ATOM     62  HA  LEU     6      -3.772   3.901   0.960  1.00  1.00           H
+ATOM     57  CB  LEU     6      -1.960   4.998   1.128  1.00  1.00           C
+ATOM     58  CG  LEU     6      -1.104   3.960   1.859  1.00  1.00           C
+ATOM     59  CD1 LEU     6      -0.007   3.413   0.944  1.00  1.00           C
+ATOM     60  CD2 LEU     6      -0.534   4.536   3.157  1.00  1.00           C
+ATOM     63  HB2 LEU     6      -1.309   5.584   0.480  1.00  1.00           H
+ATOM     64  HB3 LEU     6      -2.375   5.683   1.867  1.00  1.00           H
+ATOM     65  HG  LEU     6      -1.743   3.121   2.132  1.00  1.00           H
+ATOM     66 HD11 LEU     6       0.095   4.059   0.072  1.00  1.00           H
+ATOM     67 HD12 LEU     6       0.938   3.384   1.487  1.00  1.00           H
+ATOM     68 HD13 LEU     6      -0.272   2.406   0.621  1.00  1.00           H
+ATOM     69 HD21 LEU     6      -0.950   5.529   3.327  1.00  1.00           H
+ATOM     70 HD22 LEU     6      -0.797   3.885   3.990  1.00  1.00           H
+ATOM     71 HD23 LEU     6       0.551   4.605   3.078  1.00  1.00           H
+ATOM     72  N   GLU     7      -4.791   6.171   0.339  1.00  1.00           N
+ATOM     73  CA  GLU     7      -5.632   7.223  -0.204  1.00  1.00           C
+ATOM     74  C   GLU     7      -4.814   8.496  -0.427  1.00  1.00           C
+ATOM     75  O   GLU     7      -5.037   9.507   0.237  1.00  1.00           O
+ATOM     81  H   GLU     7      -4.921   5.987   1.313  1.00  1.00           H
+ATOM     82  HA  GLU     7      -5.992   6.842  -1.161  1.00  1.00           H
+ATOM     76  CB  GLU     7      -6.830   7.495   0.708  1.00  1.00           C
+ATOM     77  CG  GLU     7      -8.142   7.127   0.014  1.00  1.00           C
+ATOM     78  CD  GLU     7      -8.921   8.382  -0.388  1.00  1.00           C
+ATOM     79  OE1 GLU     7      -8.634   8.850  -1.554  1.00  1.00           O
+ATOM     80  OE2 GLU     7      -9.752   8.872   0.391  1.00  1.00           O
+ATOM     83  HB2 GLU     7      -6.728   6.920   1.628  1.00  1.00           H
+ATOM     84  HB3 GLU     7      -6.845   8.548   0.991  1.00  1.00           H
+ATOM     85  HG2 GLU     7      -7.935   6.525  -0.870  1.00  1.00           H
+ATOM     86  HG3 GLU     7      -8.751   6.515   0.680  1.00  1.00           H
+ATOM     87  N   LYS     8      -3.881   8.405  -1.364  1.00  1.00           N
+ATOM     88  CA  LYS     8      -3.026   9.537  -1.682  1.00  1.00           C
+ATOM     89  C   LYS     8      -3.897  10.727  -2.094  1.00  1.00           C
+ATOM     90  O   LYS     8      -4.509  11.375  -1.246  1.00  1.00           O
+ATOM     96  H   LYS     8      -3.704   7.579  -1.899  1.00  1.00           H
+ATOM     97  HA  LYS     8      -2.485   9.803  -0.774  1.00  1.00           H
+ATOM     91  CB  LYS     8      -1.986   9.144  -2.732  1.00  1.00           C
+ATOM     92  CG  LYS     8      -0.846  10.165  -2.784  1.00  1.00           C
+ATOM     93  CD  LYS     8      -0.879  10.958  -4.092  1.00  1.00           C
+ATOM     94  CE  LYS     8       0.257  11.981  -4.141  1.00  1.00           C
+ATOM     95  NZ  LYS     8       1.545  11.313  -4.430  1.00  1.00           N
+ATOM     98  HB2 LYS     8      -1.585   8.158  -2.502  1.00  1.00           H
+ATOM     99  HB3 LYS     8      -2.460   9.074  -3.712  1.00  1.00           H
+ATOM    100  HG2 LYS     8      -0.927  10.848  -1.938  1.00  1.00           H
+ATOM    101  HG3 LYS     8       0.110   9.652  -2.689  1.00  1.00           H
+ATOM    102  HD2 LYS     8      -0.795  10.275  -4.938  1.00  1.00           H
+ATOM    103  HD3 LYS     8      -1.838  11.468  -4.189  1.00  1.00           H
+ATOM    104  HE2 LYS     8       0.048  12.727  -4.907  1.00  1.00           H
+ATOM    105  HE3 LYS     8       0.319  12.509  -3.190  1.00  1.00           H
+ATOM    106  HZ1 LYS     8       1.449  10.737  -5.254  1.00  1.00           H
+ATOM    107  HZ2 LYS     8       2.291  11.979  -4.595  1.00  1.00           H
+ATOM    108  HZ3 LYS     8       1.807  10.733  -3.644  1.00  1.00           H
+ATOM    109  N   HIS     9      -3.923  10.978  -3.394  1.00  1.00           N
+ATOM    110  CA  HIS     9      -4.708  12.078  -3.928  1.00  1.00           C
+ATOM    111  C   HIS     9      -6.157  11.626  -4.126  1.00  1.00           C
+ATOM    112  O   HIS     9      -6.508  10.494  -3.797  1.00  1.00           O
+ATOM    119  H   HIS     9      -3.423  10.445  -4.077  1.00  1.00           H
+ATOM    120  HA  HIS     9      -4.683  12.871  -3.182  1.00  1.00           H
+ATOM    113  CB  HIS     9      -4.077  12.623  -5.211  1.00  1.00           C
+ATOM    114  CG  HIS     9      -2.959  13.610  -4.972  1.00  1.00           C
+ATOM    115  ND1 HIS     9      -2.255  13.673  -3.783  1.00  1.00           N
+ATOM    116  CD2 HIS     9      -2.430  14.570  -5.784  1.00  1.00           C
+ATOM    117  CE1 HIS     9      -1.347  14.632  -3.884  1.00  1.00           C
+ATOM    118  NE2 HIS     9      -1.456  15.186  -5.125  1.00  1.00           N
+ATOM    121  HB2 HIS     9      -3.693  11.789  -5.798  1.00  1.00           H
+ATOM    122  HB3 HIS     9      -4.851  13.105  -5.808  1.00  1.00           H
+ATOM    123  HD1 HIS     9      -2.407  13.093  -2.982  1.00  1.00           H
+ATOM    124  HD2 HIS     9      -2.751  14.792  -6.802  1.00  1.00           H
+ATOM    125  HE1 HIS     9      -0.636  14.925  -3.111  1.00  1.00           H
+ATOM    126  N   SER    10      -6.958  12.535  -4.662  1.00  1.00           N
+ATOM    127  CA  SER    10      -8.361  12.245  -4.908  1.00  1.00           C
+ATOM    128  C   SER    10      -8.509  11.435  -6.198  1.00  1.00           C
+ATOM    129  O   SER    10      -9.623  11.198  -6.661  1.00  1.00           O
+ATOM    132  H   SER    10      -6.664  13.453  -4.927  1.00  1.00           H
+ATOM    133  HA  SER    10      -8.689  11.660  -4.049  1.00  1.00           H
+ATOM    130  CB  SER    10      -9.183  13.532  -4.992  1.00  1.00           C
+ATOM    131  OG  SER    10     -10.584  13.274  -4.951  1.00  1.00           O
+ATOM    134  HB2 SER    10      -8.911  14.190  -4.167  1.00  1.00           H
+ATOM    135  HB3 SER    10      -8.938  14.059  -5.915  1.00  1.00           H
+ATOM    136  HG  SER    10     -11.047  13.786  -5.675  1.00  1.00           H
+ATOM    137  N   TRP    11      -7.369  11.032  -6.741  1.00  1.00           N
+ATOM    138  CA  TRP    11      -7.359  10.254  -7.968  1.00  1.00           C
+ATOM    139  C   TRP    11      -6.537   8.988  -7.718  1.00  1.00           C
+ATOM    140  O   TRP    11      -6.228   8.250  -8.652  1.00  1.00           O
+ATOM    151  H   TRP    11      -6.467  11.230  -6.358  1.00  1.00           H
+ATOM    152  HA  TRP    11      -8.389   9.989  -8.202  1.00  1.00           H
+ATOM    141  CB  TRP    11      -6.834  11.086  -9.140  1.00  1.00           C
+ATOM    142  CG  TRP    11      -5.645  11.980  -8.786  1.00  1.00           C
+ATOM    143  CD1 TRP    11      -5.622  13.315  -8.670  1.00  1.00           C
+ATOM    144  CD2 TRP    11      -4.297  11.547  -8.504  1.00  1.00           C
+ATOM    145  NE1 TRP    11      -4.364  13.772  -8.335  1.00  1.00           N
+ATOM    146  CE2 TRP    11      -3.533  12.663  -8.231  1.00  1.00           C
+ATOM    147  CE3 TRP    11      -3.743  10.256  -8.480  1.00  1.00           C
+ATOM    148  CZ2 TRP    11      -2.170  12.601  -7.916  1.00  1.00           C
+ATOM    149  CZ3 TRP    11      -2.380  10.210  -8.164  1.00  1.00           C
+ATOM    150  CH2 TRP    11      -1.596  11.324  -7.886  1.00  1.00           C
+ATOM    153  HB2 TRP    11      -6.542  10.414  -9.947  1.00  1.00           H
+ATOM    154  HB3 TRP    11      -7.644  11.709  -9.521  1.00  1.00           H
+ATOM    155  HD1 TRP    11      -6.489  13.958  -8.820  1.00  1.00           H
+ATOM    156  HE1 TRP    11      -4.075  14.812  -8.181  1.00  1.00           H
+ATOM    157  HE3 TRP    11      -4.325   9.359  -8.692  1.00  1.00           H
+ATOM    158  HZ2 TRP    11      -1.587  13.497  -7.704  1.00  1.00           H
+ATOM    159  HZ3 TRP    11      -1.899   9.232  -8.131  1.00  1.00           H
+ATOM    160  HH2 TRP    11      -0.539  11.204  -7.647  1.00  1.00           H
+ATOM    161  N   TYR    12      -6.205   8.776  -6.452  1.00  1.00           N
+ATOM    162  CA  TYR    12      -5.425   7.613  -6.067  1.00  1.00           C
+ATOM    163  C   TYR    12      -6.255   6.656  -5.209  1.00  1.00           C
+ATOM    164  O   TYR    12      -6.340   6.821  -3.994  1.00  1.00           O
+ATOM    173  H   TYR    12      -6.461   9.382  -5.698  1.00  1.00           H
+ATOM    174  HA  TYR    12      -5.117   7.099  -6.978  1.00  1.00           H
+ATOM    165  CB  TYR    12      -4.258   8.145  -5.233  1.00  1.00           C
+ATOM    166  CG  TYR    12      -2.942   7.395  -5.454  1.00  1.00           C
+ATOM    167  CD1 TYR    12      -2.417   7.283  -6.726  1.00  1.00           C
+ATOM    168  CD2 TYR    12      -2.281   6.831  -4.382  1.00  1.00           C
+ATOM    169  CE1 TYR    12      -1.179   6.578  -6.934  1.00  1.00           C
+ATOM    170  CE2 TYR    12      -1.043   6.126  -4.591  1.00  1.00           C
+ATOM    171  CZ  TYR    12      -0.553   6.034  -5.856  1.00  1.00           C
+ATOM    172  OH  TYR    12       0.616   5.367  -6.052  1.00  1.00           O
+ATOM    175  HB2 TYR    12      -4.108   9.198  -5.468  1.00  1.00           H
+ATOM    176  HB3 TYR    12      -4.523   8.089  -4.178  1.00  1.00           H
+ATOM    177  HD1 TYR    12      -2.939   7.729  -7.572  1.00  1.00           H
+ATOM    178  HD2 TYR    12      -2.696   6.919  -3.379  1.00  1.00           H
+ATOM    179  HE1 TYR    12      -0.754   6.481  -7.933  1.00  1.00           H
+ATOM    180  HE2 TYR    12      -0.511   5.675  -3.753  1.00  1.00           H
+ATOM    181  HH  TYR    12       1.294   5.661  -5.379  1.00  1.00           H
+ATOM    182  N   HIS    13      -6.845   5.676  -5.876  1.00  1.00           N
+ATOM    183  CA  HIS    13      -7.665   4.691  -5.190  1.00  1.00           C
+ATOM    184  C   HIS    13      -6.904   3.368  -5.090  1.00  1.00           C
+ATOM    185  O   HIS    13      -6.654   2.873  -3.993  1.00  1.00           O
+ATOM    192  H   HIS    13      -6.772   5.548  -6.865  1.00  1.00           H
+ATOM    193  HA  HIS    13      -7.841   5.076  -4.186  1.00  1.00           H
+ATOM    186  CB  HIS    13      -9.025   4.543  -5.877  1.00  1.00           C
+ATOM    187  CG  HIS    13      -8.937   4.230  -7.351  1.00  1.00           C
+ATOM    188  ND1 HIS    13      -9.395   3.042  -7.894  1.00  1.00           N
+ATOM    189  CD2 HIS    13      -8.441   4.961  -8.390  1.00  1.00           C
+ATOM    190  CE1 HIS    13      -9.178   3.068  -9.201  1.00  1.00           C
+ATOM    191  NE2 HIS    13      -8.586   4.258  -9.506  1.00  1.00           N
+ATOM    194  HB2 HIS    13      -9.586   3.751  -5.380  1.00  1.00           H
+ATOM    195  HB3 HIS    13      -9.590   5.466  -5.744  1.00  1.00           H
+ATOM    196  HD1 HIS    13      -9.818   2.292  -7.386  1.00  1.00           H
+ATOM    197  HD2 HIS    13      -7.999   5.955  -8.314  1.00  1.00           H
+ATOM    198  HE1 HIS    13      -9.430   2.278  -9.908  1.00  1.00           H
+ATOM    199  N   GLY    14      -6.556   2.833  -6.252  1.00  1.00           N
+ATOM    200  CA  GLY    14      -5.828   1.577  -6.310  1.00  1.00           C
+ATOM    201  C   GLY    14      -5.666   1.103  -7.755  1.00  1.00           C
+ATOM    202  O   GLY    14      -5.883   1.870  -8.692  1.00  1.00           O
+ATOM    203  H   GLY    14      -6.764   3.243  -7.140  1.00  1.00           H
+ATOM    204  HA2 GLY    14      -4.847   1.700  -5.851  1.00  1.00           H
+ATOM    205  HA3 GLY    14      -6.357   0.819  -5.731  1.00  1.00           H
+ATOM    206  N   PRO    15      -5.278  -0.192  -7.895  1.00  1.00           N
+ATOM    207  CA  PRO    15      -5.084  -0.778  -9.211  1.00  1.00           C
+ATOM    208  C   PRO    15      -6.426  -1.073  -9.882  1.00  1.00           C
+ATOM    209  O   PRO    15      -7.303  -1.693  -9.281  1.00  1.00           O
+ATOM    213  HA  PRO    15      -4.613  -0.133  -9.812  1.00  1.00           H
+ATOM    210  CB  PRO    15      -4.255  -2.028  -8.966  1.00  1.00           C
+ATOM    211  CG  PRO    15      -4.408  -2.348  -7.488  1.00  1.00           C
+ATOM    212  CD  PRO    15      -5.012  -1.130  -6.808  1.00  1.00           C
+ATOM    214  HB2 PRO    15      -4.605  -2.856  -9.583  1.00  1.00           H
+ATOM    215  HB3 PRO    15      -3.209  -1.860  -9.224  1.00  1.00           H
+ATOM    216  HG2 PRO    15      -5.048  -3.220  -7.351  1.00  1.00           H
+ATOM    217  HG3 PRO    15      -3.440  -2.591  -7.048  1.00  1.00           H
+ATOM    218  HD2 PRO    15      -5.928  -1.388  -6.275  1.00  1.00           H
+ATOM    219  HD3 PRO    15      -4.325  -0.705  -6.076  1.00  1.00           H
+ATOM    220  N   VAL    16      -6.547  -0.614 -11.119  1.00  1.00           N
+ATOM    221  CA  VAL    16      -7.768  -0.821 -11.880  1.00  1.00           C
+ATOM    222  C   VAL    16      -7.418  -1.011 -13.357  1.00  1.00           C
+ATOM    223  O   VAL    16      -6.931  -0.088 -14.007  1.00  1.00           O
+ATOM    227  H   VAL    16      -5.829  -0.111 -11.601  1.00  1.00           H
+ATOM    228  HA  VAL    16      -8.235  -1.732 -11.509  1.00  1.00           H
+ATOM    224  CB  VAL    16      -8.736   0.340 -11.640  1.00  1.00           C
+ATOM    225  CG1 VAL    16      -8.043   1.686 -11.862  1.00  1.00           C
+ATOM    226  CG2 VAL    16      -9.977   0.209 -12.524  1.00  1.00           C
+ATOM    229  HB  VAL    16      -9.058   0.297 -10.599  1.00  1.00           H
+ATOM    230 HG11 VAL    16      -7.370   1.612 -12.716  1.00  1.00           H
+ATOM    231 HG12 VAL    16      -8.793   2.452 -12.056  1.00  1.00           H
+ATOM    232 HG13 VAL    16      -7.473   1.952 -10.972  1.00  1.00           H
+ATOM    233 HG21 VAL    16      -9.835  -0.607 -13.232  1.00  1.00           H
+ATOM    234 HG22 VAL    16     -10.847   0.001 -11.901  1.00  1.00           H
+ATOM    235 HG23 VAL    16     -10.135   1.140 -13.068  1.00  1.00           H
+ATOM    236  N   SER    17      -7.679  -2.216 -13.842  1.00  1.00           N
+ATOM    237  CA  SER    17      -7.398  -2.540 -15.231  1.00  1.00           C
+ATOM    238  C   SER    17      -8.250  -1.669 -16.154  1.00  1.00           C
+ATOM    239  O   SER    17      -9.404  -1.372 -15.845  1.00  1.00           O
+ATOM    242  H   SER    17      -8.075  -2.962 -13.306  1.00  1.00           H
+ATOM    243  HA  SER    17      -6.338  -2.323 -15.369  1.00  1.00           H
+ATOM    240  CB  SER    17      -7.654  -4.022 -15.513  1.00  1.00           C
+ATOM    241  OG  SER    17      -6.444  -4.772 -15.572  1.00  1.00           O
+ATOM    244  HB2 SER    17      -8.298  -4.433 -14.735  1.00  1.00           H
+ATOM    245  HB3 SER    17      -8.190  -4.124 -16.457  1.00  1.00           H
+ATOM    246  HG  SER    17      -5.659  -4.165 -15.441  1.00  1.00           H
+ATOM    247  N   ARG    18      -7.651  -1.282 -17.271  1.00  1.00           N
+ATOM    248  CA  ARG    18      -8.341  -0.450 -18.242  1.00  1.00           C
+ATOM    249  C   ARG    18      -9.645  -1.117 -18.680  1.00  1.00           C
+ATOM    250  O   ARG    18     -10.698  -0.480 -18.693  1.00  1.00           O
+ATOM    258  H   ARG    18      -6.712  -1.527 -17.515  1.00  1.00           H
+ATOM    259  HA  ARG    18      -8.535   0.486 -17.718  1.00  1.00           H
+ATOM    251  CB  ARG    18      -7.466  -0.199 -19.472  1.00  1.00           C
+ATOM    252  CG  ARG    18      -6.500  -1.362 -19.705  1.00  1.00           C
+ATOM    253  CD  ARG    18      -6.187  -1.526 -21.194  1.00  1.00           C
+ATOM    254  NE  ARG    18      -5.608  -2.865 -21.445  1.00  1.00           N
+ATOM    255  CZ  ARG    18      -6.336  -3.968 -21.662  1.00  1.00           C
+ATOM    256  NH1 ARG    18      -7.674  -3.901 -21.659  1.00  1.00           N
+ATOM    257  NH2 ARG    18      -5.725  -5.141 -21.881  1.00  1.00           N
+ATOM    260  HB2 ARG    18      -8.097  -0.065 -20.350  1.00  1.00           H
+ATOM    261  HB3 ARG    18      -6.903   0.725 -19.340  1.00  1.00           H
+ATOM    262  HG2 ARG    18      -5.577  -1.189 -19.153  1.00  1.00           H
+ATOM    263  HG3 ARG    18      -6.935  -2.284 -19.318  1.00  1.00           H
+ATOM    264  HD2 ARG    18      -7.096  -1.397 -21.781  1.00  1.00           H
+ATOM    265  HD3 ARG    18      -5.489  -0.753 -21.514  1.00  1.00           H
+ATOM    266  HE  ARG    18      -4.612  -2.950 -21.454  1.00  1.00           H
+ATOM    267 HH11 ARG    18      -8.130  -3.026 -21.495  1.00  1.00           H
+ATOM    268 HH12 ARG    18      -8.217  -4.725 -21.821  1.00  1.00           H
+ATOM    269 HH21 ARG    18      -4.727  -5.192 -21.884  1.00  1.00           H
+ATOM    270 HH22 ARG    18      -6.268  -5.965 -22.043  1.00  1.00           H
+ATOM    271  N   ASN    19      -9.535  -2.391 -19.026  1.00  1.00           N
+ATOM    272  CA  ASN    19     -10.694  -3.151 -19.463  1.00  1.00           C
+ATOM    273  C   ASN    19     -11.872  -2.857 -18.533  1.00  1.00           C
+ATOM    274  O   ASN    19     -12.913  -2.378 -18.977  1.00  1.00           O
+ATOM    279  H   ASN    19      -8.676  -2.901 -19.012  1.00  1.00           H
+ATOM    280  HA  ASN    19     -10.880  -2.826 -20.487  1.00  1.00           H
+ATOM    275  CB  ASN    19     -10.416  -4.655 -19.414  1.00  1.00           C
+ATOM    276  CG  ASN    19      -9.465  -5.000 -18.266  1.00  1.00           C
+ATOM    277  OD1 ASN    19      -9.874  -5.324 -17.163  1.00  1.00           O
+ATOM    278  ND2 ASN    19      -8.178  -4.912 -18.586  1.00  1.00           N
+ATOM    281  HB2 ASN    19     -11.354  -5.198 -19.290  1.00  1.00           H
+ATOM    282  HB3 ASN    19      -9.983  -4.979 -20.360  1.00  1.00           H
+ATOM    283 HD21 ASN    19      -7.909  -4.640 -19.509  1.00  1.00           H
+ATOM    284 HD22 ASN    19      -7.478  -5.119 -17.902  1.00  1.00           H
+ATOM    285  N   ALA    20     -11.667  -3.158 -17.258  1.00  1.00           N
+ATOM    286  CA  ALA    20     -12.700  -2.931 -16.261  1.00  1.00           C
+ATOM    287  C   ALA    20     -13.033  -1.439 -16.207  1.00  1.00           C
+ATOM    288  O   ALA    20     -14.150  -1.060 -15.862  1.00  1.00           O
+ATOM    290  H   ALA    20     -10.817  -3.547 -16.906  1.00  1.00           H
+ATOM    291  HA  ALA    20     -13.588  -3.482 -16.572  1.00  1.00           H
+ATOM    289  CB  ALA    20     -12.231  -3.473 -14.910  1.00  1.00           C
+ATOM    292  HB1 ALA    20     -11.712  -4.420 -15.058  1.00  1.00           H
+ATOM    293  HB2 ALA    20     -11.556  -2.756 -14.445  1.00  1.00           H
+ATOM    294  HB3 ALA    20     -13.095  -3.631 -14.262  1.00  1.00           H
+ATOM    295  N   ALA    21     -12.040  -0.631 -16.554  1.00  1.00           N
+ATOM    296  CA  ALA    21     -12.214   0.811 -16.549  1.00  1.00           C
+ATOM    297  C   ALA    21     -13.233   1.202 -17.621  1.00  1.00           C
+ATOM    298  O   ALA    21     -14.326   1.670 -17.303  1.00  1.00           O
+ATOM    300  H   ALA    21     -11.134  -0.946 -16.833  1.00  1.00           H
+ATOM    301  HA  ALA    21     -12.601   1.097 -15.570  1.00  1.00           H
+ATOM    299  CB  ALA    21     -10.858   1.489 -16.760  1.00  1.00           C
+ATOM    302  HB1 ALA    21     -10.060   0.795 -16.496  1.00  1.00           H
+ATOM    303  HB2 ALA    21     -10.757   1.781 -17.804  1.00  1.00           H
+ATOM    304  HB3 ALA    21     -10.793   2.375 -16.126  1.00  1.00           H
+ATOM    305  N   GLU    22     -12.840   0.996 -18.869  1.00  1.00           N
+ATOM    306  CA  GLU    22     -13.706   1.321 -19.990  1.00  1.00           C
+ATOM    307  C   GLU    22     -14.987   0.485 -19.931  1.00  1.00           C
+ATOM    308  O   GLU    22     -16.048   0.940 -20.352  1.00  1.00           O
+ATOM    314  H   GLU    22     -11.950   0.616 -19.120  1.00  1.00           H
+ATOM    315  HA  GLU    22     -13.947   2.378 -19.873  1.00  1.00           H
+ATOM    309  CB  GLU    22     -12.980   1.117 -21.321  1.00  1.00           C
+ATOM    310  CG  GLU    22     -11.898   0.042 -21.197  1.00  1.00           C
+ATOM    311  CD  GLU    22     -11.637  -0.632 -22.545  1.00  1.00           C
+ATOM    312  OE1 GLU    22     -11.797   0.067 -23.569  1.00  1.00           O
+ATOM    313  OE2 GLU    22     -11.284  -1.831 -22.521  1.00  1.00           O
+ATOM    316  HB2 GLU    22     -13.697   0.830 -22.090  1.00  1.00           H
+ATOM    317  HB3 GLU    22     -12.529   2.056 -21.641  1.00  1.00           H
+ATOM    318  HG2 GLU    22     -10.976   0.490 -20.825  1.00  1.00           H
+ATOM    319  HG3 GLU    22     -12.206  -0.706 -20.466  1.00  1.00           H
+ATOM    320  N   TYR    23     -14.844  -0.721 -19.404  1.00  1.00           N
+ATOM    321  CA  TYR    23     -15.976  -1.625 -19.284  1.00  1.00           C
+ATOM    322  C   TYR    23     -16.867  -1.232 -18.104  1.00  1.00           C
+ATOM    323  O   TYR    23     -18.006  -0.810 -18.295  1.00  1.00           O
+ATOM    332  H   TYR    23     -13.977  -1.084 -19.063  1.00  1.00           H
+ATOM    333  HA  TYR    23     -16.556  -1.561 -20.204  1.00  1.00           H
+ATOM    324  CB  TYR    23     -15.384  -3.011 -19.022  1.00  1.00           C
+ATOM    325  CG  TYR    23     -16.428  -4.123 -18.917  1.00  1.00           C
+ATOM    326  CD1 TYR    23     -17.198  -4.243 -17.778  1.00  1.00           C
+ATOM    327  CD2 TYR    23     -16.601  -5.009 -19.962  1.00  1.00           C
+ATOM    328  CE1 TYR    23     -18.181  -5.290 -17.679  1.00  1.00           C
+ATOM    329  CE2 TYR    23     -17.584  -6.056 -19.863  1.00  1.00           C
+ATOM    330  CZ  TYR    23     -18.325  -6.146 -18.727  1.00  1.00           C
+ATOM    331  OH  TYR    23     -19.254  -7.136 -18.634  1.00  1.00           O
+ATOM    334  HB2 TYR    23     -14.687  -3.255 -19.825  1.00  1.00           H
+ATOM    335  HB3 TYR    23     -14.806  -2.980 -18.097  1.00  1.00           H
+ATOM    336  HD1 TYR    23     -17.062  -3.544 -16.953  1.00  1.00           H
+ATOM    337  HD2 TYR    23     -15.993  -4.915 -20.862  1.00  1.00           H
+ATOM    338  HE1 TYR    23     -18.796  -5.396 -16.786  1.00  1.00           H
+ATOM    339  HE2 TYR    23     -17.731  -6.763 -20.681  1.00  1.00           H
+ATOM    340  HH  TYR    23     -19.463  -7.319 -17.673  1.00  1.00           H
+ATOM    341  N   LEU    24     -16.315  -1.387 -16.909  1.00  1.00           N
+ATOM    342  CA  LEU    24     -17.045  -1.054 -15.698  1.00  1.00           C
+ATOM    343  C   LEU    24     -17.514   0.400 -15.774  1.00  1.00           C
+ATOM    344  O   LEU    24     -18.706   0.665 -15.924  1.00  1.00           O
+ATOM    349  H   LEU    24     -15.387  -1.732 -16.762  1.00  1.00           H
+ATOM    350  HA  LEU    24     -17.923  -1.699 -15.659  1.00  1.00           H
+ATOM    345  CB  LEU    24     -16.200  -1.365 -14.460  1.00  1.00           C
+ATOM    346  CG  LEU    24     -16.977  -1.645 -13.172  1.00  1.00           C
+ATOM    347  CD1 LEU    24     -16.048  -2.172 -12.076  1.00  1.00           C
+ATOM    348  CD2 LEU    24     -17.753  -0.407 -12.720  1.00  1.00           C
+ATOM    351  HB2 LEU    24     -15.574  -2.230 -14.680  1.00  1.00           H
+ATOM    352  HB3 LEU    24     -15.530  -0.523 -14.282  1.00  1.00           H
+ATOM    353  HG  LEU    24     -17.708  -2.427 -13.377  1.00  1.00           H
+ATOM    354 HD11 LEU    24     -15.181  -1.515 -11.988  1.00  1.00           H
+ATOM    355 HD12 LEU    24     -16.583  -2.197 -11.127  1.00  1.00           H
+ATOM    356 HD13 LEU    24     -15.716  -3.178 -12.333  1.00  1.00           H
+ATOM    357 HD21 LEU    24     -17.493   0.438 -13.356  1.00  1.00           H
+ATOM    358 HD22 LEU    24     -18.823  -0.602 -12.794  1.00  1.00           H
+ATOM    359 HD23 LEU    24     -17.498  -0.176 -11.685  1.00  1.00           H
+ATOM    360  N   LEU    25     -16.553   1.304 -15.665  1.00  1.00           N
+ATOM    361  CA  LEU    25     -16.852   2.726 -15.719  1.00  1.00           C
+ATOM    362  C   LEU    25     -17.575   3.040 -17.030  1.00  1.00           C
+ATOM    363  O   LEU    25     -16.959   3.054 -18.094  1.00  1.00           O
+ATOM    368  H   LEU    25     -15.585   1.081 -15.542  1.00  1.00           H
+ATOM    369  HA  LEU    25     -17.525   2.949 -14.891  1.00  1.00           H
+ATOM    364  CB  LEU    25     -15.581   3.550 -15.504  1.00  1.00           C
+ATOM    365  CG  LEU    25     -15.496   4.865 -16.281  1.00  1.00           C
+ATOM    366  CD1 LEU    25     -15.736   6.063 -15.359  1.00  1.00           C
+ATOM    367  CD2 LEU    25     -14.166   4.975 -17.029  1.00  1.00           C
+ATOM    370  HB2 LEU    25     -15.492   3.772 -14.441  1.00  1.00           H
+ATOM    371  HB3 LEU    25     -14.723   2.934 -15.775  1.00  1.00           H
+ATOM    372  HG  LEU    25     -16.287   4.871 -17.030  1.00  1.00           H
+ATOM    373 HD11 LEU    25     -16.113   5.712 -14.399  1.00  1.00           H
+ATOM    374 HD12 LEU    25     -14.798   6.598 -15.208  1.00  1.00           H
+ATOM    375 HD13 LEU    25     -16.466   6.732 -15.815  1.00  1.00           H
+ATOM    376 HD21 LEU    25     -13.691   3.994 -17.072  1.00  1.00           H
+ATOM    377 HD22 LEU    25     -14.346   5.336 -18.042  1.00  1.00           H
+ATOM    378 HD23 LEU    25     -13.512   5.672 -16.506  1.00  1.00           H
+ATOM    379  N   SER    26     -18.872   3.285 -16.910  1.00  1.00           N
+ATOM    380  CA  SER    26     -19.685   3.599 -18.072  1.00  1.00           C
+ATOM    381  C   SER    26     -19.346   5.000 -18.584  1.00  1.00           C
+ATOM    382  O   SER    26     -19.748   5.377 -19.685  1.00  1.00           O
+ATOM    385  H   SER    26     -19.365   3.272 -16.039  1.00  1.00           H
+ATOM    386  HA  SER    26     -19.427   2.847 -18.816  1.00  1.00           H
+ATOM    383  CB  SER    26     -21.176   3.501 -17.743  1.00  1.00           C
+ATOM    384  OG  SER    26     -21.992   3.784 -18.877  1.00  1.00           O
+ATOM    387  HB2 SER    26     -21.401   2.499 -17.376  1.00  1.00           H
+ATOM    388  HB3 SER    26     -21.418   4.197 -16.940  1.00  1.00           H
+ATOM    389  HG  SER    26     -22.774   3.160 -18.900  1.00  1.00           H
+ATOM    390  N   SER    27     -18.611   5.735 -17.764  1.00  1.00           N
+ATOM    391  CA  SER    27     -18.213   7.086 -18.120  1.00  1.00           C
+ATOM    392  C   SER    27     -19.452   7.965 -18.302  1.00  1.00           C
+ATOM    393  O   SER    27     -20.324   7.656 -19.113  1.00  1.00           O
+ATOM    396  H   SER    27     -18.287   5.421 -16.871  1.00  1.00           H
+ATOM    397  HA  SER    27     -17.611   7.440 -17.284  1.00  1.00           H
+ATOM    394  CB  SER    27     -17.366   7.093 -19.395  1.00  1.00           C
+ATOM    395  OG  SER    27     -16.047   6.607 -19.162  1.00  1.00           O
+ATOM    398  HB2 SER    27     -17.850   6.478 -20.154  1.00  1.00           H
+ATOM    399  HB3 SER    27     -17.314   8.106 -19.791  1.00  1.00           H
+ATOM    400  HG  SER    27     -16.081   5.653 -18.864  1.00  1.00           H
+ATOM    401  N   GLY    28     -19.490   9.044 -17.534  1.00  1.00           N
+ATOM    402  CA  GLY    28     -20.608   9.970 -17.599  1.00  1.00           C
+ATOM    403  C   GLY    28     -20.471  11.070 -16.544  1.00  1.00           C
+ATOM    404  O   GLY    28     -21.185  11.067 -15.542  1.00  1.00           O
+ATOM    405  H   GLY    28     -18.776   9.288 -16.877  1.00  1.00           H
+ATOM    406  HA2 GLY    28     -20.656  10.417 -18.592  1.00  1.00           H
+ATOM    407  HA3 GLY    28     -21.542   9.430 -17.447  1.00  1.00           H
+ATOM    408  N   ILE    29     -19.549  11.985 -16.807  1.00  1.00           N
+ATOM    409  CA  ILE    29     -19.309  13.089 -15.892  1.00  1.00           C
+ATOM    410  C   ILE    29     -18.761  14.284 -16.675  1.00  1.00           C
+ATOM    411  O   ILE    29     -18.679  14.241 -17.901  1.00  1.00           O
+ATOM    416  H   ILE    29     -18.973  11.981 -17.624  1.00  1.00           H
+ATOM    417  HA  ILE    29     -20.271  13.371 -15.461  1.00  1.00           H
+ATOM    412  CB  ILE    29     -18.409  12.643 -14.738  1.00  1.00           C
+ATOM    413  CG1 ILE    29     -17.430  11.560 -15.194  1.00  1.00           C
+ATOM    414  CG2 ILE    29     -19.241  12.195 -13.535  1.00  1.00           C
+ATOM    415  CD1 ILE    29     -16.201  11.514 -14.284  1.00  1.00           C
+ATOM    418  HB  ILE    29     -17.815  13.500 -14.418  1.00  1.00           H
+ATOM    419 HG12 ILE    29     -17.927  10.590 -15.190  1.00  1.00           H
+ATOM    420 HG13 ILE    29     -17.119  11.754 -16.220  1.00  1.00           H
+ATOM    421 HG21 ILE    29     -19.900  13.006 -13.227  1.00  1.00           H
+ATOM    422 HG22 ILE    29     -19.838  11.325 -13.811  1.00  1.00           H
+ATOM    423 HG23 ILE    29     -18.577  11.933 -12.712  1.00  1.00           H
+ATOM    424 HD11 ILE    29     -16.342  12.200 -13.449  1.00  1.00           H
+ATOM    425 HD12 ILE    29     -16.069  10.501 -13.903  1.00  1.00           H
+ATOM    426 HD13 ILE    29     -15.317  11.806 -14.851  1.00  1.00           H
+ATOM    427  N   ASN    30     -18.398  15.320 -15.933  1.00  1.00           N
+ATOM    428  CA  ASN    30     -17.859  16.524 -16.542  1.00  1.00           C
+ATOM    429  C   ASN    30     -16.400  16.283 -16.935  1.00  1.00           C
+ATOM    430  O   ASN    30     -15.810  17.076 -17.666  1.00  1.00           O
+ATOM    435  H   ASN    30     -18.467  15.346 -14.937  1.00  1.00           H
+ATOM    436  HA  ASN    30     -18.496  16.719 -17.406  1.00  1.00           H
+ATOM    431  CB  ASN    30     -17.898  17.700 -15.565  1.00  1.00           C
+ATOM    432  CG  ASN    30     -18.550  18.927 -16.209  1.00  1.00           C
+ATOM    433  OD1 ASN    30     -19.698  18.907 -16.619  1.00  1.00           O
+ATOM    434  ND2 ASN    30     -17.754  19.990 -16.274  1.00  1.00           N
+ATOM    437  HB2 ASN    30     -18.453  17.417 -14.671  1.00  1.00           H
+ATOM    438  HB3 ASN    30     -16.885  17.948 -15.247  1.00  1.00           H
+ATOM    439 HD21 ASN    30     -16.820  19.939 -15.919  1.00  1.00           H
+ATOM    440 HD22 ASN    30     -18.089  20.841 -16.679  1.00  1.00           H
+ATOM    441  N   GLY    31     -15.859  15.183 -16.429  1.00  1.00           N
+ATOM    442  CA  GLY    31     -14.480  14.828 -16.717  1.00  1.00           C
+ATOM    443  C   GLY    31     -13.726  14.472 -15.434  1.00  1.00           C
+ATOM    444  O   GLY    31     -13.402  15.351 -14.636  1.00  1.00           O
+ATOM    445  H   GLY    31     -16.345  14.543 -15.834  1.00  1.00           H
+ATOM    446  HA2 GLY    31     -14.455  13.982 -17.405  1.00  1.00           H
+ATOM    447  HA3 GLY    31     -13.983  15.660 -17.216  1.00  1.00           H
+ATOM    448  N   SER    32     -13.469  13.182 -15.276  1.00  1.00           N
+ATOM    449  CA  SER    32     -12.760  12.699 -14.103  1.00  1.00           C
+ATOM    450  C   SER    32     -11.733  11.641 -14.511  1.00  1.00           C
+ATOM    451  O   SER    32     -12.068  10.681 -15.205  1.00  1.00           O
+ATOM    454  H   SER    32     -13.737  12.473 -15.929  1.00  1.00           H
+ATOM    455  HA  SER    32     -12.262  13.573 -13.686  1.00  1.00           H
+ATOM    452  CB  SER    32     -13.731  12.125 -13.069  1.00  1.00           C
+ATOM    453  OG  SER    32     -13.987  10.740 -13.288  1.00  1.00           O
+ATOM    456  HB2 SER    32     -13.321  12.263 -12.069  1.00  1.00           H
+ATOM    457  HB3 SER    32     -14.670  12.678 -13.108  1.00  1.00           H
+ATOM    458  HG  SER    32     -13.911  10.528 -14.263  1.00  1.00           H
+ATOM    459  N   PHE    33     -10.504  11.851 -14.064  1.00  1.00           N
+ATOM    460  CA  PHE    33      -9.427  10.927 -14.375  1.00  1.00           C
+ATOM    461  C   PHE    33      -9.076  10.066 -13.159  1.00  1.00           C
+ATOM    462  O   PHE    33      -9.419  10.411 -12.030  1.00  1.00           O
+ATOM    470  H   PHE    33     -10.241  12.633 -13.501  1.00  1.00           H
+ATOM    471  HA  PHE    33      -9.774  10.285 -15.184  1.00  1.00           H
+ATOM    463  CB  PHE    33      -8.210  11.771 -14.756  1.00  1.00           C
+ATOM    464  CG  PHE    33      -8.534  12.950 -15.676  1.00  1.00           C
+ATOM    465  CD1 PHE    33      -9.756  13.541 -15.619  1.00  1.00           C
+ATOM    466  CD2 PHE    33      -7.597  13.407 -16.551  1.00  1.00           C
+ATOM    467  CE1 PHE    33     -10.058  14.636 -16.473  1.00  1.00           C
+ATOM    468  CE2 PHE    33      -7.899  14.501 -17.404  1.00  1.00           C
+ATOM    469  CZ  PHE    33      -9.121  15.093 -17.347  1.00  1.00           C
+ATOM    472  HB2 PHE    33      -7.744  12.150 -13.846  1.00  1.00           H
+ATOM    473  HB3 PHE    33      -7.475  11.132 -15.247  1.00  1.00           H
+ATOM    474  HD1 PHE    33     -10.507  13.175 -14.918  1.00  1.00           H
+ATOM    475  HD2 PHE    33      -6.617  12.933 -16.596  1.00  1.00           H
+ATOM    476  HE1 PHE    33     -11.038  15.110 -16.427  1.00  1.00           H
+ATOM    477  HE2 PHE    33      -7.148  14.867 -18.105  1.00  1.00           H
+ATOM    478  HZ  PHE    33      -9.352  15.932 -18.002  1.00  1.00           H
+ATOM    479  N   LEU    34      -8.395   8.963 -13.433  1.00  1.00           N
+ATOM    480  CA  LEU    34      -7.993   8.049 -12.376  1.00  1.00           C
+ATOM    481  C   LEU    34      -6.722   7.312 -12.802  1.00  1.00           C
+ATOM    482  O   LEU    34      -6.614   6.859 -13.941  1.00  1.00           O
+ATOM    487  H   LEU    34      -8.119   8.690 -14.355  1.00  1.00           H
+ATOM    488  HA  LEU    34      -7.765   8.650 -11.495  1.00  1.00           H
+ATOM    483  CB  LEU    34      -9.149   7.119 -12.004  1.00  1.00           C
+ATOM    484  CG  LEU    34      -9.545   6.085 -13.059  1.00  1.00           C
+ATOM    485  CD1 LEU    34      -9.545   6.704 -14.459  1.00  1.00           C
+ATOM    486  CD2 LEU    34      -8.648   4.849 -12.979  1.00  1.00           C
+ATOM    489  HB2 LEU    34      -8.883   6.591 -11.089  1.00  1.00           H
+ATOM    490  HB3 LEU    34     -10.023   7.731 -11.776  1.00  1.00           H
+ATOM    491  HG  LEU    34     -10.564   5.759 -12.852  1.00  1.00           H
+ATOM    492 HD11 LEU    34      -9.987   7.699 -14.417  1.00  1.00           H
+ATOM    493 HD12 LEU    34      -8.520   6.777 -14.824  1.00  1.00           H
+ATOM    494 HD13 LEU    34     -10.126   6.076 -15.134  1.00  1.00           H
+ATOM    495 HD21 LEU    34      -8.735   4.400 -11.990  1.00  1.00           H
+ATOM    496 HD22 LEU    34      -8.959   4.125 -13.734  1.00  1.00           H
+ATOM    497 HD23 LEU    34      -7.612   5.138 -13.157  1.00  1.00           H
+ATOM    498  N   VAL    35      -5.790   7.214 -11.864  1.00  1.00           N
+ATOM    499  CA  VAL    35      -4.532   6.538 -12.128  1.00  1.00           C
+ATOM    500  C   VAL    35      -4.715   5.032 -11.933  1.00  1.00           C
+ATOM    501  O   VAL    35      -5.496   4.603 -11.085  1.00  1.00           O
+ATOM    505  H   VAL    35      -5.886   7.585 -10.941  1.00  1.00           H
+ATOM    506  HA  VAL    35      -4.269   6.728 -13.168  1.00  1.00           H
+ATOM    502  CB  VAL    35      -3.428   7.125 -11.245  1.00  1.00           C
+ATOM    503  CG1 VAL    35      -2.105   6.387 -11.457  1.00  1.00           C
+ATOM    504  CG2 VAL    35      -3.265   8.626 -11.496  1.00  1.00           C
+ATOM    507  HB  VAL    35      -3.724   6.991 -10.205  1.00  1.00           H
+ATOM    508 HG11 VAL    35      -2.287   5.312 -11.466  1.00  1.00           H
+ATOM    509 HG12 VAL    35      -1.669   6.689 -12.409  1.00  1.00           H
+ATOM    510 HG13 VAL    35      -1.418   6.633 -10.648  1.00  1.00           H
+ATOM    511 HG21 VAL    35      -4.036   8.964 -12.188  1.00  1.00           H
+ATOM    512 HG22 VAL    35      -3.361   9.164 -10.554  1.00  1.00           H
+ATOM    513 HG23 VAL    35      -2.282   8.818 -11.926  1.00  1.00           H
+ATOM    514  N   ARG    36      -3.982   4.271 -12.732  1.00  1.00           N
+ATOM    515  CA  ARG    36      -4.054   2.821 -12.658  1.00  1.00           C
+ATOM    516  C   ARG    36      -2.708   2.245 -12.219  1.00  1.00           C
+ATOM    517  O   ARG    36      -1.712   2.965 -12.150  1.00  1.00           O
+ATOM    525  H   ARG    36      -3.350   4.627 -13.419  1.00  1.00           H
+ATOM    526  HA  ARG    36      -4.828   2.618 -11.917  1.00  1.00           H
+ATOM    518  CB  ARG    36      -4.443   2.220 -14.010  1.00  1.00           C
+ATOM    519  CG  ARG    36      -4.689   3.316 -15.048  1.00  1.00           C
+ATOM    520  CD  ARG    36      -5.500   2.781 -16.229  1.00  1.00           C
+ATOM    521  NE  ARG    36      -5.089   3.465 -17.476  1.00  1.00           N
+ATOM    522  CZ  ARG    36      -4.263   2.933 -18.388  1.00  1.00           C
+ATOM    523  NH1 ARG    36      -3.756   1.708 -18.198  1.00  1.00           N
+ATOM    524  NH2 ARG    36      -3.947   3.627 -19.490  1.00  1.00           N
+ATOM    527  HB2 ARG    36      -3.652   1.555 -14.357  1.00  1.00           H
+ATOM    528  HB3 ARG    36      -5.342   1.613 -13.897  1.00  1.00           H
+ATOM    529  HG2 ARG    36      -5.220   4.148 -14.585  1.00  1.00           H
+ATOM    530  HG3 ARG    36      -3.735   3.705 -15.403  1.00  1.00           H
+ATOM    531  HD2 ARG    36      -5.349   1.706 -16.328  1.00  1.00           H
+ATOM    532  HD3 ARG    36      -6.564   2.938 -16.053  1.00  1.00           H
+ATOM    533  HE  ARG    36      -5.451   4.381 -17.650  1.00  1.00           H
+ATOM    534 HH11 ARG    36      -3.992   1.191 -17.375  1.00  1.00           H
+ATOM    535 HH12 ARG    36      -3.139   1.312 -18.878  1.00  1.00           H
+ATOM    536 HH21 ARG    36      -4.326   4.541 -19.632  1.00  1.00           H
+ATOM    537 HH22 ARG    36      -3.331   3.230 -20.170  1.00  1.00           H
+ATOM    538  N   GLU    37      -2.718   0.951 -11.934  1.00  1.00           N
+ATOM    539  CA  GLU    37      -1.509   0.269 -11.504  1.00  1.00           C
+ATOM    540  C   GLU    37      -1.214  -0.918 -12.423  1.00  1.00           C
+ATOM    541  O   GLU    37      -1.790  -1.030 -13.503  1.00  1.00           O
+ATOM    547  H   GLU    37      -3.532   0.372 -11.993  1.00  1.00           H
+ATOM    548  HA  GLU    37      -0.714   1.009 -11.588  1.00  1.00           H
+ATOM    542  CB  GLU    37      -1.623  -0.181 -10.046  1.00  1.00           C
+ATOM    543  CG  GLU    37      -0.638   0.582  -9.157  1.00  1.00           C
+ATOM    544  CD  GLU    37       0.543  -0.306  -8.761  1.00  1.00           C
+ATOM    545  OE1 GLU    37       0.321  -1.531  -8.651  1.00  1.00           O
+ATOM    546  OE2 GLU    37       1.642   0.262  -8.576  1.00  1.00           O
+ATOM    549  HB2 GLU    37      -2.641  -0.019  -9.690  1.00  1.00           H
+ATOM    550  HB3 GLU    37      -1.427  -1.252  -9.975  1.00  1.00           H
+ATOM    551  HG2 GLU    37      -0.275   1.463  -9.685  1.00  1.00           H
+ATOM    552  HG3 GLU    37      -1.149   0.935  -8.262  1.00  1.00           H
+ATOM    553  N   SER    38      -0.315  -1.774 -11.960  1.00  1.00           N
+ATOM    554  CA  SER    38       0.065  -2.948 -12.726  1.00  1.00           C
+ATOM    555  C   SER    38      -1.172  -3.570 -13.379  1.00  1.00           C
+ATOM    556  O   SER    38      -2.187  -3.782 -12.718  1.00  1.00           O
+ATOM    559  H   SER    38       0.149  -1.677 -11.080  1.00  1.00           H
+ATOM    560  HA  SER    38       0.756  -2.586 -13.487  1.00  1.00           H
+ATOM    557  CB  SER    38       0.772  -3.979 -11.844  1.00  1.00           C
+ATOM    558  OG  SER    38       0.308  -5.303 -12.092  1.00  1.00           O
+ATOM    561  HB2 SER    38       1.847  -3.931 -12.022  1.00  1.00           H
+ATOM    562  HB3 SER    38       0.611  -3.729 -10.795  1.00  1.00           H
+ATOM    563  HG  SER    38       0.564  -5.902 -11.333  1.00  1.00           H
+ATOM    564  N   GLU    39      -1.047  -3.843 -14.670  1.00  1.00           N
+ATOM    565  CA  GLU    39      -2.141  -4.435 -15.419  1.00  1.00           C
+ATOM    566  C   GLU    39      -1.666  -5.694 -16.148  1.00  1.00           C
+ATOM    567  O   GLU    39      -2.309  -6.739 -16.073  1.00  1.00           O
+ATOM    573  H   GLU    39      -0.218  -3.668 -15.200  1.00  1.00           H
+ATOM    574  HA  GLU    39      -2.893  -4.701 -14.674  1.00  1.00           H
+ATOM    568  CB  GLU    39      -2.744  -3.427 -16.399  1.00  1.00           C
+ATOM    569  CG  GLU    39      -3.753  -4.103 -17.330  1.00  1.00           C
+ATOM    570  CD  GLU    39      -3.361  -3.908 -18.797  1.00  1.00           C
+ATOM    571  OE1 GLU    39      -2.566  -4.738 -19.287  1.00  1.00           O
+ATOM    572  OE2 GLU    39      -3.865  -2.933 -19.394  1.00  1.00           O
+ATOM    575  HB2 GLU    39      -3.234  -2.626 -15.847  1.00  1.00           H
+ATOM    576  HB3 GLU    39      -1.950  -2.968 -16.989  1.00  1.00           H
+ATOM    577  HG2 GLU    39      -3.806  -5.168 -17.103  1.00  1.00           H
+ATOM    578  HG3 GLU    39      -4.745  -3.689 -17.158  1.00  1.00           H
+ATOM    579  N   SER    40      -0.544  -5.551 -16.838  1.00  1.00           N
+ATOM    580  CA  SER    40       0.025  -6.662 -17.581  1.00  1.00           C
+ATOM    581  C   SER    40       1.517  -6.791 -17.270  1.00  1.00           C
+ATOM    582  O   SER    40       2.218  -7.588 -17.890  1.00  1.00           O
+ATOM    585  H   SER    40      -0.027  -4.696 -16.894  1.00  1.00           H
+ATOM    586  HA  SER    40      -0.516  -7.544 -17.238  1.00  1.00           H
+ATOM    583  CB  SER    40      -0.190  -6.486 -19.086  1.00  1.00           C
+ATOM    584  OG  SER    40       0.503  -7.475 -19.843  1.00  1.00           O
+ATOM    587  HB2 SER    40      -1.256  -6.539 -19.309  1.00  1.00           H
+ATOM    588  HB3 SER    40       0.150  -5.495 -19.387  1.00  1.00           H
+ATOM    589  HG  SER    40       0.022  -8.350 -19.785  1.00  1.00           H
+ATOM    590  N   SER    41       1.959  -5.994 -16.308  1.00  1.00           N
+ATOM    591  CA  SER    41       3.355  -6.008 -15.906  1.00  1.00           C
+ATOM    592  C   SER    41       3.462  -6.187 -14.390  1.00  1.00           C
+ATOM    593  O   SER    41       2.590  -5.740 -13.646  1.00  1.00           O
+ATOM    596  H   SER    41       1.382  -5.348 -15.807  1.00  1.00           H
+ATOM    597  HA  SER    41       3.795  -6.860 -16.424  1.00  1.00           H
+ATOM    594  CB  SER    41       4.067  -4.726 -16.340  1.00  1.00           C
+ATOM    595  OG  SER    41       5.052  -4.974 -17.339  1.00  1.00           O
+ATOM    598  HB2 SER    41       3.334  -4.015 -16.722  1.00  1.00           H
+ATOM    599  HB3 SER    41       4.538  -4.261 -15.474  1.00  1.00           H
+ATOM    600  HG  SER    41       5.652  -4.179 -17.433  1.00  1.00           H
+ATOM    601  N   PRO    42       4.566  -6.859 -13.967  1.00  1.00           N
+ATOM    602  CA  PRO    42       4.798  -7.103 -12.553  1.00  1.00           C
+ATOM    603  C   PRO    42       5.260  -5.826 -11.845  1.00  1.00           C
+ATOM    604  O   PRO    42       6.326  -5.804 -11.232  1.00  1.00           O
+ATOM    608  HA  PRO    42       3.947  -7.371 -12.103  1.00  1.00           H
+ATOM    605  CB  PRO    42       5.833  -8.214 -12.510  1.00  1.00           C
+ATOM    606  CG  PRO    42       6.484  -8.230 -13.884  1.00  1.00           C
+ATOM    607  CD  PRO    42       5.619  -7.402 -14.819  1.00  1.00           C
+ATOM    609  HB2 PRO    42       6.572  -8.029 -11.731  1.00  1.00           H
+ATOM    610  HB3 PRO    42       5.368  -9.174 -12.287  1.00  1.00           H
+ATOM    611  HG2 PRO    42       7.493  -7.821 -13.833  1.00  1.00           H
+ATOM    612  HG3 PRO    42       6.573  -9.253 -14.252  1.00  1.00           H
+ATOM    613  HD2 PRO    42       6.196  -6.607 -15.292  1.00  1.00           H
+ATOM    614  HD3 PRO    42       5.205  -8.013 -15.621  1.00  1.00           H
+ATOM    615  N   GLY    43       4.434  -4.796 -11.954  1.00  1.00           N
+ATOM    616  CA  GLY    43       4.744  -3.520 -11.332  1.00  1.00           C
+ATOM    617  C   GLY    43       4.787  -2.399 -12.373  1.00  1.00           C
+ATOM    618  O   GLY    43       5.863  -1.943 -12.755  1.00  1.00           O
+ATOM    619  H   GLY    43       3.569  -4.823 -12.455  1.00  1.00           H
+ATOM    620  HA2 GLY    43       3.996  -3.289 -10.574  1.00  1.00           H
+ATOM    621  HA3 GLY    43       5.706  -3.584 -10.822  1.00  1.00           H
+ATOM    622  N   GLN    44       3.603  -1.987 -12.800  1.00  1.00           N
+ATOM    623  CA  GLN    44       3.490  -0.928 -13.789  1.00  1.00           C
+ATOM    624  C   GLN    44       2.388   0.055 -13.390  1.00  1.00           C
+ATOM    625  O   GLN    44       1.444  -0.314 -12.694  1.00  1.00           O
+ATOM    631  H   GLN    44       2.732  -2.363 -12.483  1.00  1.00           H
+ATOM    632  HA  GLN    44       4.457  -0.423 -13.783  1.00  1.00           H
+ATOM    626  CB  GLN    44       3.234  -1.504 -15.183  1.00  1.00           C
+ATOM    627  CG  GLN    44       4.379  -1.159 -16.138  1.00  1.00           C
+ATOM    628  CD  GLN    44       3.841  -0.633 -17.470  1.00  1.00           C
+ATOM    629  OE1 GLN    44       3.130  -1.310 -18.193  1.00  1.00           O
+ATOM    630  NE2 GLN    44       4.220   0.610 -17.754  1.00  1.00           N
+ATOM    633  HB2 GLN    44       3.124  -2.586 -15.118  1.00  1.00           H
+ATOM    634  HB3 GLN    44       2.297  -1.110 -15.576  1.00  1.00           H
+ATOM    635  HG2 GLN    44       5.025  -0.409 -15.680  1.00  1.00           H
+ATOM    636  HG3 GLN    44       4.991  -2.043 -16.312  1.00  1.00           H
+ATOM    637 HE21 GLN    44       4.806   1.112 -17.117  1.00  1.00           H
+ATOM    638 HE22 GLN    44       3.920   1.043 -18.604  1.00  1.00           H
+ATOM    639  N   ARG    45       2.546   1.289 -13.849  1.00  1.00           N
+ATOM    640  CA  ARG    45       1.576   2.328 -13.549  1.00  1.00           C
+ATOM    641  C   ARG    45       1.145   3.039 -14.834  1.00  1.00           C
+ATOM    642  O   ARG    45       1.985   3.414 -15.651  1.00  1.00           O
+ATOM    650  H   ARG    45       3.317   1.581 -14.415  1.00  1.00           H
+ATOM    651  HA  ARG    45       0.737   1.803 -13.091  1.00  1.00           H
+ATOM    643  CB  ARG    45       2.153   3.357 -12.574  1.00  1.00           C
+ATOM    644  CG  ARG    45       2.649   2.680 -11.295  1.00  1.00           C
+ATOM    645  CD  ARG    45       4.105   2.232 -11.439  1.00  1.00           C
+ATOM    646  NE  ARG    45       4.689   1.975 -10.104  1.00  1.00           N
+ATOM    647  CZ  ARG    45       4.496   0.849  -9.404  1.00  1.00           C
+ATOM    648  NH1 ARG    45       3.731  -0.130  -9.907  1.00  1.00           N
+ATOM    649  NH2 ARG    45       5.066   0.702  -8.200  1.00  1.00           N
+ATOM    652  HB2 ARG    45       2.976   3.891 -13.050  1.00  1.00           H
+ATOM    653  HB3 ARG    45       1.392   4.097 -12.328  1.00  1.00           H
+ATOM    654  HG2 ARG    45       2.558   3.371 -10.456  1.00  1.00           H
+ATOM    655  HG3 ARG    45       2.020   1.820 -11.067  1.00  1.00           H
+ATOM    656  HD2 ARG    45       4.157   1.331 -12.049  1.00  1.00           H
+ATOM    657  HD3 ARG    45       4.681   3.000 -11.956  1.00  1.00           H
+ATOM    658  HE  ARG    45       5.265   2.685  -9.700  1.00  1.00           H
+ATOM    659 HH11 ARG    45       3.306  -0.020 -10.805  1.00  1.00           H
+ATOM    660 HH12 ARG    45       3.587  -0.971  -9.384  1.00  1.00           H
+ATOM    661 HH21 ARG    45       5.637   1.432  -7.825  1.00  1.00           H
+ATOM    662 HH22 ARG    45       4.922  -0.139  -7.678  1.00  1.00           H
+ATOM    663  N   SER    46      -0.162   3.203 -14.972  1.00  1.00           N
+ATOM    664  CA  SER    46      -0.714   3.862 -16.143  1.00  1.00           C
+ATOM    665  C   SER    46      -1.677   4.970 -15.715  1.00  1.00           C
+ATOM    666  O   SER    46      -1.937   5.147 -14.525  1.00  1.00           O
+ATOM    669  H   SER    46      -0.838   2.894 -14.302  1.00  1.00           H
+ATOM    670  HA  SER    46       0.143   4.282 -16.669  1.00  1.00           H
+ATOM    667  CB  SER    46      -1.429   2.860 -17.054  1.00  1.00           C
+ATOM    668  OG  SER    46      -0.510   2.020 -17.748  1.00  1.00           O
+ATOM    671  HB2 SER    46      -2.102   2.245 -16.458  1.00  1.00           H
+ATOM    672  HB3 SER    46      -2.043   3.400 -17.774  1.00  1.00           H
+ATOM    673  HG  SER    46      -1.009   1.351 -18.299  1.00  1.00           H
+ATOM    674  N   ILE    47      -2.182   5.689 -16.707  1.00  1.00           N
+ATOM    675  CA  ILE    47      -3.110   6.776 -16.448  1.00  1.00           C
+ATOM    676  C   ILE    47      -4.387   6.554 -17.262  1.00  1.00           C
+ATOM    677  O   ILE    47      -4.330   6.366 -18.475  1.00  1.00           O
+ATOM    682  H   ILE    47      -1.965   5.539 -17.672  1.00  1.00           H
+ATOM    683  HA  ILE    47      -3.364   6.742 -15.389  1.00  1.00           H
+ATOM    678  CB  ILE    47      -2.441   8.126 -16.710  1.00  1.00           C
+ATOM    679  CG1 ILE    47      -1.848   8.704 -15.422  1.00  1.00           C
+ATOM    680  CG2 ILE    47      -3.413   9.099 -17.380  1.00  1.00           C
+ATOM    681  CD1 ILE    47      -2.877   8.686 -14.290  1.00  1.00           C
+ATOM    684  HB  ILE    47      -1.614   7.969 -17.403  1.00  1.00           H
+ATOM    685 HG12 ILE    47      -0.971   8.125 -15.131  1.00  1.00           H
+ATOM    686 HG13 ILE    47      -1.513   9.726 -15.599  1.00  1.00           H
+ATOM    687 HG21 ILE    47      -4.381   9.046 -16.883  1.00  1.00           H
+ATOM    688 HG22 ILE    47      -3.022  10.114 -17.304  1.00  1.00           H
+ATOM    689 HG23 ILE    47      -3.529   8.833 -18.430  1.00  1.00           H
+ATOM    690 HD11 ILE    47      -3.882   8.666 -14.712  1.00  1.00           H
+ATOM    691 HD12 ILE    47      -2.723   7.800 -13.673  1.00  1.00           H
+ATOM    692 HD13 ILE    47      -2.757   9.580 -13.678  1.00  1.00           H
+ATOM    693  N   SER    48      -5.510   6.584 -16.559  1.00  1.00           N
+ATOM    694  CA  SER    48      -6.800   6.389 -17.201  1.00  1.00           C
+ATOM    695  C   SER    48      -7.630   7.670 -17.107  1.00  1.00           C
+ATOM    696  O   SER    48      -7.698   8.294 -16.049  1.00  1.00           O
+ATOM    699  H   SER    48      -5.548   6.737 -15.572  1.00  1.00           H
+ATOM    700  HA  SER    48      -6.572   6.156 -18.241  1.00  1.00           H
+ATOM    697  CB  SER    48      -7.556   5.218 -16.571  1.00  1.00           C
+ATOM    698  OG  SER    48      -7.105   4.940 -15.248  1.00  1.00           O
+ATOM    701  HB2 SER    48      -8.622   5.446 -16.549  1.00  1.00           H
+ATOM    702  HB3 SER    48      -7.432   4.330 -17.191  1.00  1.00           H
+ATOM    703  HG  SER    48      -6.867   5.792 -14.781  1.00  1.00           H
+ATOM    704  N   LEU    49      -8.240   8.026 -18.227  1.00  1.00           N
+ATOM    705  CA  LEU    49      -9.063   9.222 -18.285  1.00  1.00           C
+ATOM    706  C   LEU    49     -10.491   8.835 -18.680  1.00  1.00           C
+ATOM    707  O   LEU    49     -10.689   8.020 -19.580  1.00  1.00           O
+ATOM    712  H   LEU    49      -8.180   7.513 -19.084  1.00  1.00           H
+ATOM    713  HA  LEU    49      -9.087   9.650 -17.283  1.00  1.00           H
+ATOM    708  CB  LEU    49      -8.431  10.264 -19.208  1.00  1.00           C
+ATOM    709  CG  LEU    49      -6.913  10.171 -19.384  1.00  1.00           C
+ATOM    710  CD1 LEU    49      -6.193  10.413 -18.056  1.00  1.00           C
+ATOM    711  CD2 LEU    49      -6.515   8.837 -20.017  1.00  1.00           C
+ATOM    714  HB2 LEU    49      -8.895  10.182 -20.190  1.00  1.00           H
+ATOM    715  HB3 LEU    49      -8.672  11.255 -18.824  1.00  1.00           H
+ATOM    716  HG  LEU    49      -6.600  10.959 -20.068  1.00  1.00           H
+ATOM    717 HD11 LEU    49      -6.609  11.297 -17.572  1.00  1.00           H
+ATOM    718 HD12 LEU    49      -6.324   9.548 -17.408  1.00  1.00           H
+ATOM    719 HD13 LEU    49      -5.130  10.568 -18.243  1.00  1.00           H
+ATOM    720 HD21 LEU    49      -7.368   8.422 -20.555  1.00  1.00           H
+ATOM    721 HD22 LEU    49      -5.690   8.996 -20.711  1.00  1.00           H
+ATOM    722 HD23 LEU    49      -6.204   8.142 -19.236  1.00  1.00           H
+ATOM    723  N   ARG    50     -11.446   9.440 -17.990  1.00  1.00           N
+ATOM    724  CA  ARG    50     -12.848   9.168 -18.259  1.00  1.00           C
+ATOM    725  C   ARG    50     -13.558  10.446 -18.712  1.00  1.00           C
+ATOM    726  O   ARG    50     -13.614  11.425 -17.971  1.00  1.00           O
+ATOM    734  H   ARG    50     -11.276  10.101 -17.260  1.00  1.00           H
+ATOM    735  HA  ARG    50     -12.841   8.421 -19.052  1.00  1.00           H
+ATOM    727  CB  ARG    50     -13.550   8.617 -17.016  1.00  1.00           C
+ATOM    728  CG  ARG    50     -15.039   8.387 -17.284  1.00  1.00           C
+ATOM    729  CD  ARG    50     -15.901   9.118 -16.253  1.00  1.00           C
+ATOM    730  NE  ARG    50     -15.562   8.653 -14.890  1.00  1.00           N
+ATOM    731  CZ  ARG    50     -16.470   8.296 -13.970  1.00  1.00           C
+ATOM    732  NH1 ARG    50     -17.776   8.349 -14.263  1.00  1.00           N
+ATOM    733  NH2 ARG    50     -16.071   7.886 -12.758  1.00  1.00           N
+ATOM    736  HB2 ARG    50     -13.082   7.679 -16.715  1.00  1.00           H
+ATOM    737  HB3 ARG    50     -13.429   9.313 -16.187  1.00  1.00           H
+ATOM    738  HG2 ARG    50     -15.290   8.735 -18.286  1.00  1.00           H
+ATOM    739  HG3 ARG    50     -15.257   7.319 -17.254  1.00  1.00           H
+ATOM    740  HD2 ARG    50     -15.741  10.193 -16.329  1.00  1.00           H
+ATOM    741  HD3 ARG    50     -16.957   8.938 -16.455  1.00  1.00           H
+ATOM    742  HE  ARG    50     -14.596   8.602 -14.638  1.00  1.00           H
+ATOM    743 HH11 ARG    50     -18.074   8.655 -15.167  1.00  1.00           H
+ATOM    744 HH12 ARG    50     -18.454   8.082 -13.578  1.00  1.00           H
+ATOM    745 HH21 ARG    50     -15.096   7.847 -12.540  1.00  1.00           H
+ATOM    746 HH22 ARG    50     -16.748   7.620 -12.073  1.00  1.00           H
+ATOM    747  N   TYR    51     -14.083  10.393 -19.927  1.00  1.00           N
+ATOM    748  CA  TYR    51     -14.787  11.534 -20.489  1.00  1.00           C
+ATOM    749  C   TYR    51     -16.290  11.435 -20.222  1.00  1.00           C
+ATOM    750  O   TYR    51     -16.716  10.766 -19.282  1.00  1.00           O
+ATOM    759  H   TYR    51     -14.033   9.592 -20.524  1.00  1.00           H
+ATOM    760  HA  TYR    51     -14.400  12.435 -20.013  1.00  1.00           H
+ATOM    751  CB  TYR    51     -14.543  11.480 -21.998  1.00  1.00           C
+ATOM    752  CG  TYR    51     -13.771  12.680 -22.548  1.00  1.00           C
+ATOM    753  CD1 TYR    51     -14.409  13.894 -22.711  1.00  1.00           C
+ATOM    754  CD2 TYR    51     -12.438  12.551 -22.878  1.00  1.00           C
+ATOM    755  CE1 TYR    51     -13.682  15.025 -23.228  1.00  1.00           C
+ATOM    756  CE2 TYR    51     -11.711  13.682 -23.395  1.00  1.00           C
+ATOM    757  CZ  TYR    51     -12.369  14.863 -23.545  1.00  1.00           C
+ATOM    758  OH  TYR    51     -11.682  15.930 -24.034  1.00  1.00           O
+ATOM    761  HB2 TYR    51     -13.993  10.569 -22.234  1.00  1.00           H
+ATOM    762  HB3 TYR    51     -15.503  11.414 -22.508  1.00  1.00           H
+ATOM    763  HD1 TYR    51     -15.461  13.996 -22.451  1.00  1.00           H
+ATOM    764  HD2 TYR    51     -11.934  11.594 -22.748  1.00  1.00           H
+ATOM    765  HE1 TYR    51     -14.173  15.988 -23.364  1.00  1.00           H
+ATOM    766  HE2 TYR    51     -10.658  13.593 -23.661  1.00  1.00           H
+ATOM    767  HH  TYR    51     -11.039  16.267 -23.346  1.00  1.00           H
+ATOM    768  N   GLU    52     -17.054  12.110 -21.069  1.00  1.00           N
+ATOM    769  CA  GLU    52     -18.501  12.107 -20.938  1.00  1.00           C
+ATOM    770  C   GLU    52     -19.071  10.759 -21.384  1.00  1.00           C
+ATOM    771  O   GLU    52     -20.245  10.665 -21.740  1.00  1.00           O
+ATOM    777  H   GLU    52     -16.700  12.652 -21.832  1.00  1.00           H
+ATOM    778  HA  GLU    52     -18.696  12.258 -19.876  1.00  1.00           H
+ATOM    772  CB  GLU    52     -19.126  13.256 -21.731  1.00  1.00           C
+ATOM    773  CG  GLU    52     -18.988  14.581 -20.978  1.00  1.00           C
+ATOM    774  CD  GLU    52     -18.317  15.642 -21.853  1.00  1.00           C
+ATOM    775  OE1 GLU    52     -17.069  15.698 -21.820  1.00  1.00           O
+ATOM    776  OE2 GLU    52     -19.069  16.373 -22.535  1.00  1.00           O
+ATOM    779  HB2 GLU    52     -18.644  13.336 -22.705  1.00  1.00           H
+ATOM    780  HB3 GLU    52     -20.180  13.046 -21.913  1.00  1.00           H
+ATOM    781  HG2 GLU    52     -19.972  14.930 -20.666  1.00  1.00           H
+ATOM    782  HG3 GLU    52     -18.402  14.429 -20.071  1.00  1.00           H
+ATOM    783  N   GLY    53     -18.214   9.750 -21.351  1.00  1.00           N
+ATOM    784  CA  GLY    53     -18.618   8.412 -21.748  1.00  1.00           C
+ATOM    785  C   GLY    53     -17.442   7.641 -22.353  1.00  1.00           C
+ATOM    786  O   GLY    53     -17.471   6.413 -22.425  1.00  1.00           O
+ATOM    787  H   GLY    53     -17.260   9.835 -21.060  1.00  1.00           H
+ATOM    788  HA2 GLY    53     -19.002   7.873 -20.882  1.00  1.00           H
+ATOM    789  HA3 GLY    53     -19.429   8.473 -22.472  1.00  1.00           H
+ATOM    790  N   ARG    54     -16.437   8.394 -22.774  1.00  1.00           N
+ATOM    791  CA  ARG    54     -15.254   7.798 -23.371  1.00  1.00           C
+ATOM    792  C   ARG    54     -14.211   7.495 -22.294  1.00  1.00           C
+ATOM    793  O   ARG    54     -14.222   8.103 -21.225  1.00  1.00           O
+ATOM    801  H   ARG    54     -16.421   9.392 -22.712  1.00  1.00           H
+ATOM    802  HA  ARG    54     -15.611   6.880 -23.840  1.00  1.00           H
+ATOM    794  CB  ARG    54     -14.640   8.726 -24.421  1.00  1.00           C
+ATOM    795  CG  ARG    54     -15.065   8.315 -25.832  1.00  1.00           C
+ATOM    796  CD  ARG    54     -13.855   8.209 -26.762  1.00  1.00           C
+ATOM    797  NE  ARG    54     -14.304   8.046 -28.162  1.00  1.00           N
+ATOM    798  CZ  ARG    54     -14.862   9.021 -28.891  1.00  1.00           C
+ATOM    799  NH1 ARG    54     -15.043  10.237 -28.357  1.00  1.00           N
+ATOM    800  NH2 ARG    54     -15.239   8.781 -30.155  1.00  1.00           N
+ATOM    803  HB2 ARG    54     -14.948   9.753 -24.229  1.00  1.00           H
+ATOM    804  HB3 ARG    54     -13.553   8.699 -24.343  1.00  1.00           H
+ATOM    805  HG2 ARG    54     -15.585   7.358 -25.795  1.00  1.00           H
+ATOM    806  HG3 ARG    54     -15.771   9.045 -26.229  1.00  1.00           H
+ATOM    807  HD2 ARG    54     -13.238   9.104 -26.672  1.00  1.00           H
+ATOM    808  HD3 ARG    54     -13.234   7.363 -26.469  1.00  1.00           H
+ATOM    809  HE  ARG    54     -14.184   7.150 -28.591  1.00  1.00           H
+ATOM    810 HH11 ARG    54     -14.761  10.416 -27.415  1.00  1.00           H
+ATOM    811 HH12 ARG    54     -15.459  10.965 -28.902  1.00  1.00           H
+ATOM    812 HH21 ARG    54     -15.105   7.874 -30.553  1.00  1.00           H
+ATOM    813 HH22 ARG    54     -15.656   9.510 -30.699  1.00  1.00           H
+ATOM    814  N   VAL    55     -13.332   6.556 -22.614  1.00  1.00           N
+ATOM    815  CA  VAL    55     -12.284   6.166 -21.686  1.00  1.00           C
+ATOM    816  C   VAL    55     -10.960   6.040 -22.444  1.00  1.00           C
+ATOM    817  O   VAL    55     -10.806   5.162 -23.291  1.00  1.00           O
+ATOM    821  H   VAL    55     -13.329   6.066 -23.486  1.00  1.00           H
+ATOM    822  HA  VAL    55     -12.189   6.958 -20.943  1.00  1.00           H
+ATOM    818  CB  VAL    55     -12.681   4.879 -20.959  1.00  1.00           C
+ATOM    819  CG1 VAL    55     -11.885   4.715 -19.662  1.00  1.00           C
+ATOM    820  CG2 VAL    55     -14.186   4.845 -20.687  1.00  1.00           C
+ATOM    823  HB  VAL    55     -12.439   4.039 -21.610  1.00  1.00           H
+ATOM    824 HG11 VAL    55     -11.040   5.404 -19.664  1.00  1.00           H
+ATOM    825 HG12 VAL    55     -12.529   4.932 -18.811  1.00  1.00           H
+ATOM    826 HG13 VAL    55     -11.518   3.690 -19.589  1.00  1.00           H
+ATOM    827 HG21 VAL    55     -14.566   5.865 -20.622  1.00  1.00           H
+ATOM    828 HG22 VAL    55     -14.690   4.320 -21.498  1.00  1.00           H
+ATOM    829 HG23 VAL    55     -14.374   4.327 -19.747  1.00  1.00           H
+ATOM    830  N   TYR    56     -10.038   6.931 -22.111  1.00  1.00           N
+ATOM    831  CA  TYR    56      -8.732   6.931 -22.749  1.00  1.00           C
+ATOM    832  C   TYR    56      -7.694   6.227 -21.872  1.00  1.00           C
+ATOM    833  O   TYR    56      -7.857   6.142 -20.656  1.00  1.00           O
+ATOM    842  H   TYR    56     -10.170   7.642 -21.421  1.00  1.00           H
+ATOM    843  HA  TYR    56      -8.821   6.397 -23.695  1.00  1.00           H
+ATOM    834  CB  TYR    56      -8.338   8.401 -22.904  1.00  1.00           C
+ATOM    835  CG  TYR    56      -8.987   9.096 -24.103  1.00  1.00           C
+ATOM    836  CD1 TYR    56     -10.241   9.661 -23.978  1.00  1.00           C
+ATOM    837  CD2 TYR    56      -8.320   9.157 -25.310  1.00  1.00           C
+ATOM    838  CE1 TYR    56     -10.851  10.314 -25.107  1.00  1.00           C
+ATOM    839  CE2 TYR    56      -8.931   9.811 -26.438  1.00  1.00           C
+ATOM    840  CZ  TYR    56     -10.165  10.357 -26.281  1.00  1.00           C
+ATOM    841  OH  TYR    56     -10.742  10.974 -27.347  1.00  1.00           O
+ATOM    844  HB2 TYR    56      -8.612   8.938 -21.996  1.00  1.00           H
+ATOM    845  HB3 TYR    56      -7.255   8.469 -23.001  1.00  1.00           H
+ATOM    846  HD1 TYR    56     -10.767   9.613 -23.026  1.00  1.00           H
+ATOM    847  HD2 TYR    56      -7.330   8.710 -25.408  1.00  1.00           H
+ATOM    848  HE1 TYR    56     -11.840  10.765 -25.022  1.00  1.00           H
+ATOM    849  HE2 TYR    56      -8.414   9.866 -27.396  1.00  1.00           H
+ATOM    850  HH  TYR    56     -10.174  10.854 -28.161  1.00  1.00           H
+ATOM    851  N   HIS    57      -6.648   5.741 -22.525  1.00  1.00           N
+ATOM    852  CA  HIS    57      -5.583   5.047 -21.820  1.00  1.00           C
+ATOM    853  C   HIS    57      -4.240   5.704 -22.146  1.00  1.00           C
+ATOM    854  O   HIS    57      -3.771   5.639 -23.281  1.00  1.00           O
+ATOM    861  H   HIS    57      -6.523   5.814 -23.514  1.00  1.00           H
+ATOM    862  HA  HIS    57      -5.786   5.162 -20.756  1.00  1.00           H
+ATOM    855  CB  HIS    57      -5.604   3.551 -22.142  1.00  1.00           C
+ATOM    856  CG  HIS    57      -6.963   2.910 -21.990  1.00  1.00           C
+ATOM    857  ND1 HIS    57      -7.452   2.468 -20.773  1.00  1.00           N
+ATOM    858  CD2 HIS    57      -7.930   2.640 -22.914  1.00  1.00           C
+ATOM    859  CE1 HIS    57      -8.660   1.958 -20.969  1.00  1.00           C
+ATOM    860  NE2 HIS    57      -8.953   2.065 -22.296  1.00  1.00           N
+ATOM    863  HB2 HIS    57      -5.256   3.404 -23.164  1.00  1.00           H
+ATOM    864  HB3 HIS    57      -4.898   3.040 -21.488  1.00  1.00           H
+ATOM    865  HD1 HIS    57      -6.976   2.525 -19.896  1.00  1.00           H
+ATOM    866  HD2 HIS    57      -7.871   2.861 -23.980  1.00  1.00           H
+ATOM    867  HE1 HIS    57      -9.304   1.528 -20.202  1.00  1.00           H
+ATOM    868  N   TYR    58      -3.659   6.322 -21.128  1.00  1.00           N
+ATOM    869  CA  TYR    58      -2.379   6.992 -21.291  1.00  1.00           C
+ATOM    870  C   TYR    58      -1.389   6.549 -20.212  1.00  1.00           C
+ATOM    871  O   TYR    58      -1.273   7.192 -19.170  1.00  1.00           O
+ATOM    880  H   TYR    58      -4.048   6.372 -20.208  1.00  1.00           H
+ATOM    881  HA  TYR    58      -1.982   6.724 -22.270  1.00  1.00           H
+ATOM    872  CB  TYR    58      -2.661   8.486 -21.126  1.00  1.00           C
+ATOM    873  CG  TYR    58      -2.385   9.314 -22.383  1.00  1.00           C
+ATOM    874  CD1 TYR    58      -1.103   9.746 -22.656  1.00  1.00           C
+ATOM    875  CD2 TYR    58      -3.417   9.627 -23.243  1.00  1.00           C
+ATOM    876  CE1 TYR    58      -0.843  10.525 -23.839  1.00  1.00           C
+ATOM    877  CE2 TYR    58      -3.158  10.406 -24.426  1.00  1.00           C
+ATOM    878  CZ  TYR    58      -1.883  10.816 -24.666  1.00  1.00           C
+ATOM    879  OH  TYR    58      -1.638  11.552 -25.783  1.00  1.00           O
+ATOM    882  HB2 TYR    58      -3.704   8.619 -20.838  1.00  1.00           H
+ATOM    883  HB3 TYR    58      -2.052   8.872 -20.308  1.00  1.00           H
+ATOM    884  HD1 TYR    58      -0.287   9.498 -21.977  1.00  1.00           H
+ATOM    885  HD2 TYR    58      -4.430   9.285 -23.028  1.00  1.00           H
+ATOM    886  HE1 TYR    58       0.164  10.874 -24.067  1.00  1.00           H
+ATOM    887  HE2 TYR    58      -3.963  10.661 -25.114  1.00  1.00           H
+ATOM    888  HH  TYR    58      -1.781  10.992 -26.599  1.00  1.00           H
+ATOM    889  N   ARG    59      -0.700   5.454 -20.499  1.00  1.00           N
+ATOM    890  CA  ARG    59       0.277   4.918 -19.568  1.00  1.00           C
+ATOM    891  C   ARG    59       1.103   6.051 -18.954  1.00  1.00           C
+ATOM    892  O   ARG    59       1.104   7.170 -19.466  1.00  1.00           O
+ATOM    900  H   ARG    59      -0.800   4.937 -21.350  1.00  1.00           H
+ATOM    901  HA  ARG    59      -0.314   4.408 -18.807  1.00  1.00           H
+ATOM    893  CB  ARG    59       1.216   3.930 -20.261  1.00  1.00           C
+ATOM    894  CG  ARG    59       1.321   4.231 -21.758  1.00  1.00           C
+ATOM    895  CD  ARG    59       2.674   3.784 -22.313  1.00  1.00           C
+ATOM    896  NE  ARG    59       2.480   2.732 -23.335  1.00  1.00           N
+ATOM    897  CZ  ARG    59       2.053   2.966 -24.584  1.00  1.00           C
+ATOM    898  NH1 ARG    59       1.774   4.218 -24.972  1.00  1.00           N
+ATOM    899  NH2 ARG    59       1.906   1.949 -25.444  1.00  1.00           N
+ATOM    902  HB2 ARG    59       2.205   3.981 -19.806  1.00  1.00           H
+ATOM    903  HB3 ARG    59       0.851   2.913 -20.117  1.00  1.00           H
+ATOM    904  HG2 ARG    59       0.519   3.723 -22.292  1.00  1.00           H
+ATOM    905  HG3 ARG    59       1.189   5.300 -21.927  1.00  1.00           H
+ATOM    906  HD2 ARG    59       3.197   4.636 -22.751  1.00  1.00           H
+ATOM    907  HD3 ARG    59       3.302   3.407 -21.506  1.00  1.00           H
+ATOM    908  HE  ARG    59       2.680   1.786 -23.078  1.00  1.00           H
+ATOM    909 HH11 ARG    59       1.885   4.977 -24.330  1.00  1.00           H
+ATOM    910 HH12 ARG    59       1.455   4.393 -25.903  1.00  1.00           H
+ATOM    911 HH21 ARG    59       2.113   1.015 -25.154  1.00  1.00           H
+ATOM    912 HH22 ARG    59       1.586   2.124 -26.375  1.00  1.00           H
+ATOM    913  N   ILE    60       1.786   5.722 -17.868  1.00  1.00           N
+ATOM    914  CA  ILE    60       2.614   6.698 -17.179  1.00  1.00           C
+ATOM    915  C   ILE    60       3.788   7.088 -18.078  1.00  1.00           C
+ATOM    916  O   ILE    60       4.088   8.270 -18.238  1.00  1.00           O
+ATOM    921  H   ILE    60       1.779   4.810 -17.458  1.00  1.00           H
+ATOM    922  HA  ILE    60       2.001   7.583 -17.009  1.00  1.00           H
+ATOM    917  CB  ILE    60       3.037   6.169 -15.808  1.00  1.00           C
+ATOM    918  CG1 ILE    60       1.830   6.023 -14.879  1.00  1.00           C
+ATOM    919  CG2 ILE    60       4.130   7.048 -15.195  1.00  1.00           C
+ATOM    920  CD1 ILE    60       1.393   7.382 -14.330  1.00  1.00           C
+ATOM    923  HB  ILE    60       3.463   5.175 -15.942  1.00  1.00           H
+ATOM    924 HG12 ILE    60       1.004   5.563 -15.422  1.00  1.00           H
+ATOM    925 HG13 ILE    60       2.080   5.356 -14.055  1.00  1.00           H
+ATOM    926 HG21 ILE    60       3.833   8.095 -15.263  1.00  1.00           H
+ATOM    927 HG22 ILE    60       4.269   6.777 -14.149  1.00  1.00           H
+ATOM    928 HG23 ILE    60       5.062   6.899 -15.737  1.00  1.00           H
+ATOM    929 HD11 ILE    60       1.428   8.124 -15.128  1.00  1.00           H
+ATOM    930 HD12 ILE    60       0.375   7.309 -13.947  1.00  1.00           H
+ATOM    931 HD13 ILE    60       2.064   7.682 -13.526  1.00  1.00           H
+ATOM    932  N   ASN    61       4.422   6.071 -18.643  1.00  1.00           N
+ATOM    933  CA  ASN    61       5.558   6.291 -19.523  1.00  1.00           C
+ATOM    934  C   ASN    61       6.760   6.748 -18.692  1.00  1.00           C
+ATOM    935  O   ASN    61       6.676   7.737 -17.966  1.00  1.00           O
+ATOM    940  H   ASN    61       4.172   5.111 -18.510  1.00  1.00           H
+ATOM    941  HA  ASN    61       5.731   5.333 -20.014  1.00  1.00           H
+ATOM    936  CB  ASN    61       5.254   7.381 -20.553  1.00  1.00           C
+ATOM    937  CG  ASN    61       6.393   7.513 -21.565  1.00  1.00           C
+ATOM    938  OD1 ASN    61       7.500   7.042 -21.357  1.00  1.00           O
+ATOM    939  ND2 ASN    61       6.063   8.177 -22.669  1.00  1.00           N
+ATOM    942  HB2 ASN    61       4.325   7.145 -21.073  1.00  1.00           H
+ATOM    943  HB3 ASN    61       5.102   8.334 -20.045  1.00  1.00           H
+ATOM    944 HD21 ASN    61       5.136   8.537 -22.777  1.00  1.00           H
+ATOM    945 HD22 ASN    61       6.740   8.315 -23.391  1.00  1.00           H
+ATOM    946  N   THR    62       7.848   6.006 -18.827  1.00  1.00           N
+ATOM    947  CA  THR    62       9.065   6.322 -18.098  1.00  1.00           C
+ATOM    948  C   THR    62      10.137   6.848 -19.054  1.00  1.00           C
+ATOM    949  O   THR    62      10.081   6.596 -20.256  1.00  1.00           O
+ATOM    953  H   THR    62       7.907   5.202 -19.420  1.00  1.00           H
+ATOM    954  HA  THR    62       8.844   7.123 -17.393  1.00  1.00           H
+ATOM    950  CB  THR    62       9.495   5.070 -17.331  1.00  1.00           C
+ATOM    951  OG1 THR    62       8.275   4.532 -16.830  1.00  1.00           O
+ATOM    952  CG2 THR    62      10.300   5.402 -16.073  1.00  1.00           C
+ATOM    955  HB  THR    62      10.048   4.388 -17.977  1.00  1.00           H
+ATOM    956  HG1 THR    62       7.801   5.217 -16.277  1.00  1.00           H
+ATOM    957 HG21 THR    62      10.664   6.428 -16.134  1.00  1.00           H
+ATOM    958 HG22 THR    62       9.662   5.295 -15.195  1.00  1.00           H
+ATOM    959 HG23 THR    62      11.147   4.720 -15.992  1.00  1.00           H
+ATOM    960  N   ALA    63      11.090   7.570 -18.482  1.00  1.00           N
+ATOM    961  CA  ALA    63      12.174   8.135 -19.268  1.00  1.00           C
+ATOM    962  C   ALA    63      13.329   7.132 -19.330  1.00  1.00           C
+ATOM    963  O   ALA    63      13.177   5.980 -18.926  1.00  1.00           O
+ATOM    965  H   ALA    63      11.129   7.771 -17.504  1.00  1.00           H
+ATOM    966  HA  ALA    63      11.799   8.306 -20.276  1.00  1.00           H
+ATOM    964  CB  ALA    63      12.598   9.474 -18.664  1.00  1.00           C
+ATOM    967  HB1 ALA    63      11.750   9.927 -18.151  1.00  1.00           H
+ATOM    968  HB2 ALA    63      13.409   9.313 -17.954  1.00  1.00           H
+ATOM    969  HB3 ALA    63      12.940  10.139 -19.459  1.00  1.00           H
+ATOM    970  N   SER    64      14.455   7.606 -19.842  1.00  1.00           N
+ATOM    971  CA  SER    64      15.634   6.765 -19.963  1.00  1.00           C
+ATOM    972  C   SER    64      16.500   6.894 -18.707  1.00  1.00           C
+ATOM    973  O   SER    64      17.725   6.833 -18.785  1.00  1.00           O
+ATOM    976  H   SER    64      14.569   8.544 -20.169  1.00  1.00           H
+ATOM    977  HA  SER    64      15.255   5.749 -20.064  1.00  1.00           H
+ATOM    974  CB  SER    64      16.446   7.132 -21.207  1.00  1.00           C
+ATOM    975  OG  SER    64      16.642   8.538 -21.321  1.00  1.00           O
+ATOM    978  HB2 SER    64      17.414   6.632 -21.168  1.00  1.00           H
+ATOM    979  HB3 SER    64      15.934   6.764 -22.095  1.00  1.00           H
+ATOM    980  HG  SER    64      16.593   8.965 -20.418  1.00  1.00           H
+ATOM    981  N   ASP    65      15.827   7.070 -17.579  1.00  1.00           N
+ATOM    982  CA  ASP    65      16.519   7.207 -16.309  1.00  1.00           C
+ATOM    983  C   ASP    65      15.633   6.659 -15.189  1.00  1.00           C
+ATOM    984  O   ASP    65      16.053   5.787 -14.431  1.00  1.00           O
+ATOM    989  H   ASP    65      14.829   7.118 -17.525  1.00  1.00           H
+ATOM    990  HA  ASP    65      17.443   6.641 -16.424  1.00  1.00           H
+ATOM    985  CB  ASP    65      16.818   8.675 -16.001  1.00  1.00           C
+ATOM    986  CG  ASP    65      17.076   8.986 -14.525  1.00  1.00           C
+ATOM    987  OD1 ASP    65      18.159   8.590 -14.042  1.00  1.00           O
+ATOM    988  OD2 ASP    65      16.184   9.614 -13.914  1.00  1.00           O
+ATOM    991  HB2 ASP    65      17.689   8.983 -16.579  1.00  1.00           H
+ATOM    992  HB3 ASP    65      15.979   9.281 -16.343  1.00  1.00           H
+ATOM    993  N   GLY    66      14.422   7.193 -15.120  1.00  1.00           N
+ATOM    994  CA  GLY    66      13.473   6.769 -14.105  1.00  1.00           C
+ATOM    995  C   GLY    66      12.241   7.675 -14.095  1.00  1.00           C
+ATOM    996  O   GLY    66      11.117   7.198 -13.936  1.00  1.00           O
+ATOM    997  H   GLY    66      14.088   7.903 -15.741  1.00  1.00           H
+ATOM    998  HA2 GLY    66      13.171   5.739 -14.293  1.00  1.00           H
+ATOM    999  HA3 GLY    66      13.951   6.788 -13.125  1.00  1.00           H
+ATOM   1000  N   LYS    67      12.491   8.964 -14.266  1.00  1.00           N
+ATOM   1001  CA  LYS    67      11.415   9.941 -14.279  1.00  1.00           C
+ATOM   1002  C   LYS    67      10.252   9.402 -15.116  1.00  1.00           C
+ATOM   1003  O   LYS    67      10.458   8.602 -16.028  1.00  1.00           O
+ATOM   1009  H   LYS    67      13.408   9.344 -14.394  1.00  1.00           H
+ATOM   1010  HA  LYS    67      11.073  10.064 -13.251  1.00  1.00           H
+ATOM   1004  CB  LYS    67      11.932  11.302 -14.748  1.00  1.00           C
+ATOM   1005  CG  LYS    67      12.988  11.139 -15.844  1.00  1.00           C
+ATOM   1006  CD  LYS    67      14.362  11.600 -15.355  1.00  1.00           C
+ATOM   1007  CE  LYS    67      14.862  12.794 -16.170  1.00  1.00           C
+ATOM   1008  NZ  LYS    67      15.516  12.334 -17.416  1.00  1.00           N
+ATOM   1011  HB2 LYS    67      11.102  11.901 -15.124  1.00  1.00           H
+ATOM   1012  HB3 LYS    67      12.359  11.844 -13.905  1.00  1.00           H
+ATOM   1013  HG2 LYS    67      13.039  10.095 -16.152  1.00  1.00           H
+ATOM   1014  HG3 LYS    67      12.698  11.716 -16.723  1.00  1.00           H
+ATOM   1015  HD2 LYS    67      14.304  11.873 -14.301  1.00  1.00           H
+ATOM   1016  HD3 LYS    67      15.074  10.779 -15.432  1.00  1.00           H
+ATOM   1017  HE2 LYS    67      14.027  13.453 -16.411  1.00  1.00           H
+ATOM   1018  HE3 LYS    67      15.567  13.378 -15.577  1.00  1.00           H
+ATOM   1019  HZ1 LYS    67      15.207  11.408 -17.632  1.00  1.00           H
+ATOM   1020  HZ2 LYS    67      15.272  12.949 -18.166  1.00  1.00           H
+ATOM   1021  HZ3 LYS    67      16.508  12.335 -17.292  1.00  1.00           H
+ATOM   1022  N   LEU    68       9.058   9.862 -14.775  1.00  1.00           N
+ATOM   1023  CA  LEU    68       7.862   9.436 -15.483  1.00  1.00           C
+ATOM   1024  C   LEU    68       7.406  10.554 -16.423  1.00  1.00           C
+ATOM   1025  O   LEU    68       6.817  11.539 -15.981  1.00  1.00           O
+ATOM   1030  H   LEU    68       8.899  10.512 -14.031  1.00  1.00           H
+ATOM   1031  HA  LEU    68       8.131   8.567 -16.084  1.00  1.00           H
+ATOM   1026  CB  LEU    68       6.785   8.986 -14.494  1.00  1.00           C
+ATOM   1027  CG  LEU    68       7.242   8.019 -13.400  1.00  1.00           C
+ATOM   1028  CD1 LEU    68       6.335   8.115 -12.171  1.00  1.00           C
+ATOM   1029  CD2 LEU    68       7.334   6.589 -13.934  1.00  1.00           C
+ATOM   1032  HB2 LEU    68       6.365   9.871 -14.018  1.00  1.00           H
+ATOM   1033  HB3 LEU    68       5.980   8.513 -15.055  1.00  1.00           H
+ATOM   1034  HG  LEU    68       8.244   8.310 -13.083  1.00  1.00           H
+ATOM   1035 HD11 LEU    68       5.903   9.115 -12.115  1.00  1.00           H
+ATOM   1036 HD12 LEU    68       5.535   7.378 -12.251  1.00  1.00           H
+ATOM   1037 HD13 LEU    68       6.919   7.920 -11.272  1.00  1.00           H
+ATOM   1038 HD21 LEU    68       6.877   6.541 -14.923  1.00  1.00           H
+ATOM   1039 HD22 LEU    68       8.380   6.292 -14.003  1.00  1.00           H
+ATOM   1040 HD23 LEU    68       6.808   5.915 -13.258  1.00  1.00           H
+ATOM   1041  N   TYR    69       7.696  10.364 -17.701  1.00  1.00           N
+ATOM   1042  CA  TYR    69       7.324  11.344 -18.707  1.00  1.00           C
+ATOM   1043  C   TYR    69       6.294  10.766 -19.681  1.00  1.00           C
+ATOM   1044  O   TYR    69       6.551   9.756 -20.335  1.00  1.00           O
+ATOM   1053  H   TYR    69       8.176   9.560 -18.053  1.00  1.00           H
+ATOM   1054  HA  TYR    69       6.887  12.201 -18.196  1.00  1.00           H
+ATOM   1045  CB  TYR    69       8.606  11.671 -19.474  1.00  1.00           C
+ATOM   1046  CG  TYR    69       8.828  10.802 -20.714  1.00  1.00           C
+ATOM   1047  CD1 TYR    69       8.048  10.992 -21.837  1.00  1.00           C
+ATOM   1048  CD2 TYR    69       9.807   9.829 -20.709  1.00  1.00           C
+ATOM   1049  CE1 TYR    69       8.257  10.174 -23.005  1.00  1.00           C
+ATOM   1050  CE2 TYR    69      10.015   9.012 -21.877  1.00  1.00           C
+ATOM   1051  CZ  TYR    69       9.230   9.225 -22.967  1.00  1.00           C
+ATOM   1052  OH  TYR    69       9.427   8.453 -24.069  1.00  1.00           O
+ATOM   1055  HB2 TYR    69       8.580  12.718 -19.777  1.00  1.00           H
+ATOM   1056  HB3 TYR    69       9.457  11.553 -18.805  1.00  1.00           H
+ATOM   1057  HD1 TYR    69       7.276  11.760 -21.841  1.00  1.00           H
+ATOM   1058  HD2 TYR    69      10.421   9.679 -19.823  1.00  1.00           H
+ATOM   1059  HE1 TYR    69       7.649  10.314 -23.899  1.00  1.00           H
+ATOM   1060  HE2 TYR    69      10.784   8.239 -21.887  1.00  1.00           H
+ATOM   1061  HH  TYR    69       8.930   7.590 -23.975  1.00  1.00           H
+ATOM   1062  N   VAL    70       5.150  11.431 -19.746  1.00  1.00           N
+ATOM   1063  CA  VAL    70       4.081  10.997 -20.629  1.00  1.00           C
+ATOM   1064  C   VAL    70       4.419  11.397 -22.067  1.00  1.00           C
+ATOM   1065  O   VAL    70       4.293  10.588 -22.985  1.00  1.00           O
+ATOM   1069  H   VAL    70       4.949  12.252 -19.211  1.00  1.00           H
+ATOM   1070  HA  VAL    70       4.028   9.910 -20.570  1.00  1.00           H
+ATOM   1066  CB  VAL    70       2.743  11.563 -20.149  1.00  1.00           C
+ATOM   1067  CG1 VAL    70       1.630  11.268 -21.156  1.00  1.00           C
+ATOM   1068  CG2 VAL    70       2.385  11.025 -18.762  1.00  1.00           C
+ATOM   1071  HB  VAL    70       2.847  12.646 -20.071  1.00  1.00           H
+ATOM   1072 HG11 VAL    70       1.668  10.217 -21.442  1.00  1.00           H
+ATOM   1073 HG12 VAL    70       0.663  11.487 -20.703  1.00  1.00           H
+ATOM   1074 HG13 VAL    70       1.766  11.891 -22.041  1.00  1.00           H
+ATOM   1075 HG21 VAL    70       2.831  10.038 -18.630  1.00  1.00           H
+ATOM   1076 HG22 VAL    70       2.769  11.702 -17.999  1.00  1.00           H
+ATOM   1077 HG23 VAL    70       1.302  10.950 -18.670  1.00  1.00           H
+ATOM   1078  N   SER    71       4.840  12.644 -22.217  1.00  1.00           N
+ATOM   1079  CA  SER    71       5.196  13.160 -23.528  1.00  1.00           C
+ATOM   1080  C   SER    71       6.702  13.011 -23.757  1.00  1.00           C
+ATOM   1081  O   SER    71       7.128  12.217 -24.595  1.00  1.00           O
+ATOM   1084  H   SER    71       4.939  13.295 -21.465  1.00  1.00           H
+ATOM   1085  HA  SER    71       4.637  12.553 -24.239  1.00  1.00           H
+ATOM   1082  CB  SER    71       4.781  14.626 -23.673  1.00  1.00           C
+ATOM   1083  OG  SER    71       5.261  15.199 -24.886  1.00  1.00           O
+ATOM   1086  HB2 SER    71       3.694  14.699 -23.643  1.00  1.00           H
+ATOM   1087  HB3 SER    71       5.161  15.197 -22.826  1.00  1.00           H
+ATOM   1088  HG  SER    71       5.114  16.188 -24.879  1.00  1.00           H
+ATOM   1089  N   SER    72       7.464  13.785 -23.000  1.00  1.00           N
+ATOM   1090  CA  SER    72       8.912  13.747 -23.111  1.00  1.00           C
+ATOM   1091  C   SER    72       9.506  15.082 -22.657  1.00  1.00           C
+ATOM   1092  O   SER    72      10.648  15.135 -22.202  1.00  1.00           O
+ATOM   1095  H   SER    72       7.108  14.427 -22.320  1.00  1.00           H
+ATOM   1096  HA  SER    72       9.232  12.942 -22.450  1.00  1.00           H
+ATOM   1093  CB  SER    72       9.347  13.433 -24.544  1.00  1.00           C
+ATOM   1094  OG  SER    72       9.635  12.049 -24.723  1.00  1.00           O
+ATOM   1097  HB2 SER    72       8.559  13.731 -25.235  1.00  1.00           H
+ATOM   1098  HB3 SER    72      10.229  14.022 -24.792  1.00  1.00           H
+ATOM   1099  HG  SER    72      10.622  11.896 -24.674  1.00  1.00           H
+ATOM   1100  N   GLU    73       8.705  16.128 -22.796  1.00  1.00           N
+ATOM   1101  CA  GLU    73       9.137  17.459 -22.406  1.00  1.00           C
+ATOM   1102  C   GLU    73       8.636  17.788 -20.998  1.00  1.00           C
+ATOM   1103  O   GLU    73       8.965  18.839 -20.448  1.00  1.00           O
+ATOM   1109  H   GLU    73       7.777  16.077 -23.167  1.00  1.00           H
+ATOM   1110  HA  GLU    73      10.226  17.424 -22.413  1.00  1.00           H
+ATOM   1104  CB  GLU    73       8.663  18.507 -23.415  1.00  1.00           C
+ATOM   1105  CG  GLU    73       7.487  17.982 -24.240  1.00  1.00           C
+ATOM   1106  CD  GLU    73       6.938  19.068 -25.168  1.00  1.00           C
+ATOM   1107  OE1 GLU    73       7.774  19.808 -25.731  1.00  1.00           O
+ATOM   1108  OE2 GLU    73       5.697  19.134 -25.292  1.00  1.00           O
+ATOM   1111  HB2 GLU    73       8.367  19.415 -22.890  1.00  1.00           H
+ATOM   1112  HB3 GLU    73       9.485  18.777 -24.078  1.00  1.00           H
+ATOM   1113  HG2 GLU    73       7.806  17.123 -24.830  1.00  1.00           H
+ATOM   1114  HG3 GLU    73       6.697  17.634 -23.574  1.00  1.00           H
+ATOM   1115  N   SER    74       7.850  16.871 -20.454  1.00  1.00           N
+ATOM   1116  CA  SER    74       7.302  17.051 -19.121  1.00  1.00           C
+ATOM   1117  C   SER    74       7.530  15.789 -18.287  1.00  1.00           C
+ATOM   1118  O   SER    74       6.579  15.092 -17.936  1.00  1.00           O
+ATOM   1121  H   SER    74       7.588  16.019 -20.908  1.00  1.00           H
+ATOM   1122  HA  SER    74       7.846  17.894 -18.696  1.00  1.00           H
+ATOM   1119  CB  SER    74       5.810  17.385 -19.179  1.00  1.00           C
+ATOM   1120  OG  SER    74       5.508  18.600 -18.499  1.00  1.00           O
+ATOM   1123  HB2 SER    74       5.497  17.465 -20.221  1.00  1.00           H
+ATOM   1124  HB3 SER    74       5.238  16.570 -18.737  1.00  1.00           H
+ATOM   1125  HG  SER    74       6.026  18.653 -17.646  1.00  1.00           H
+ATOM   1126  N   ARG    75       8.797  15.533 -17.993  1.00  1.00           N
+ATOM   1127  CA  ARG    75       9.162  14.368 -17.206  1.00  1.00           C
+ATOM   1128  C   ARG    75       8.964  14.650 -15.716  1.00  1.00           C
+ATOM   1129  O   ARG    75       9.178  15.771 -15.258  1.00  1.00           O
+ATOM   1137  H   ARG    75       9.564  16.105 -18.282  1.00  1.00           H
+ATOM   1138  HA  ARG    75       8.492  13.579 -17.549  1.00  1.00           H
+ATOM   1130  CB  ARG    75      10.619  13.970 -17.454  1.00  1.00           C
+ATOM   1131  CG  ARG    75      11.188  14.703 -18.670  1.00  1.00           C
+ATOM   1132  CD  ARG    75      12.363  13.933 -19.275  1.00  1.00           C
+ATOM   1133  NE  ARG    75      13.096  14.794 -20.229  1.00  1.00           N
+ATOM   1134  CZ  ARG    75      14.216  14.426 -20.866  1.00  1.00           C
+ATOM   1135  NH1 ARG    75      14.738  13.210 -20.655  1.00  1.00           N
+ATOM   1136  NH2 ARG    75      14.814  15.273 -21.715  1.00  1.00           N
+ATOM   1139  HB2 ARG    75      11.218  14.203 -16.573  1.00  1.00           H
+ATOM   1140  HB3 ARG    75      10.685  12.894 -17.610  1.00  1.00           H
+ATOM   1141  HG2 ARG    75      10.407  14.831 -19.421  1.00  1.00           H
+ATOM   1142  HG3 ARG    75      11.515  15.702 -18.379  1.00  1.00           H
+ATOM   1143  HD2 ARG    75      13.035  13.599 -18.484  1.00  1.00           H
+ATOM   1144  HD3 ARG    75      12.000  13.040 -19.784  1.00  1.00           H
+ATOM   1145  HE  ARG    75      12.734  15.709 -20.409  1.00  1.00           H
+ATOM   1146 HH11 ARG    75      14.291  12.577 -20.023  1.00  1.00           H
+ATOM   1147 HH12 ARG    75      15.573  12.935 -21.131  1.00  1.00           H
+ATOM   1148 HH21 ARG    75      14.425  16.181 -21.872  1.00  1.00           H
+ATOM   1149 HH22 ARG    75      15.650  14.999 -22.190  1.00  1.00           H
+ATOM   1150  N   PHE    76       8.557  13.612 -14.998  1.00  1.00           N
+ATOM   1151  CA  PHE    76       8.328  13.734 -13.570  1.00  1.00           C
+ATOM   1152  C   PHE    76       8.907  12.535 -12.817  1.00  1.00           C
+ATOM   1153  O   PHE    76       9.703  11.777 -13.369  1.00  1.00           O
+ATOM   1161  H   PHE    76       8.385  12.703 -15.378  1.00  1.00           H
+ATOM   1162  HA  PHE    76       8.827  14.644 -13.238  1.00  1.00           H
+ATOM   1154  CB  PHE    76       6.812  13.769 -13.361  1.00  1.00           C
+ATOM   1155  CG  PHE    76       6.088  14.801 -14.228  1.00  1.00           C
+ATOM   1156  CD1 PHE    76       6.123  16.118 -13.889  1.00  1.00           C
+ATOM   1157  CD2 PHE    76       5.411  14.402 -15.337  1.00  1.00           C
+ATOM   1158  CE1 PHE    76       5.451  17.076 -14.692  1.00  1.00           C
+ATOM   1159  CE2 PHE    76       4.739  15.360 -16.141  1.00  1.00           C
+ATOM   1160  CZ  PHE    76       4.772  16.677 -15.802  1.00  1.00           C
+ATOM   1163  HB2 PHE    76       6.404  12.780 -13.574  1.00  1.00           H
+ATOM   1164  HB3 PHE    76       6.605  13.980 -12.312  1.00  1.00           H
+ATOM   1165  HD1 PHE    76       6.665  16.437 -12.999  1.00  1.00           H
+ATOM   1166  HD2 PHE    76       5.383  13.347 -15.609  1.00  1.00           H
+ATOM   1167  HE1 PHE    76       5.478  18.131 -14.420  1.00  1.00           H
+ATOM   1168  HE2 PHE    76       4.195  15.041 -17.031  1.00  1.00           H
+ATOM   1169  HZ  PHE    76       4.257  17.412 -16.419  1.00  1.00           H
+ATOM   1170  N   ASN    77       8.484  12.400 -11.568  1.00  1.00           N
+ATOM   1171  CA  ASN    77       8.951  11.306 -10.734  1.00  1.00           C
+ATOM   1172  C   ASN    77       7.760  10.686  -9.999  1.00  1.00           C
+ATOM   1173  O   ASN    77       7.654   9.465  -9.902  1.00  1.00           O
+ATOM   1178  H   ASN    77       7.837  13.021 -11.127  1.00  1.00           H
+ATOM   1179  HA  ASN    77       9.427  10.606 -11.420  1.00  1.00           H
+ATOM   1174  CB  ASN    77       9.949  11.800  -9.685  1.00  1.00           C
+ATOM   1175  CG  ASN    77      11.386  11.684 -10.197  1.00  1.00           C
+ATOM   1176  OD1 ASN    77      12.072  12.667 -10.426  1.00  1.00           O
+ATOM   1177  ND2 ASN    77      11.802  10.431 -10.364  1.00  1.00           N
+ATOM   1180  HB2 ASN    77       9.732  12.837  -9.431  1.00  1.00           H
+ATOM   1181  HB3 ASN    77       9.838  11.218  -8.769  1.00  1.00           H
+ATOM   1182 HD21 ASN    77      11.188   9.670 -10.157  1.00  1.00           H
+ATOM   1183 HD22 ASN    77      12.728  10.252 -10.696  1.00  1.00           H
+ATOM   1184  N   THR    78       6.896  11.557  -9.500  1.00  1.00           N
+ATOM   1185  CA  THR    78       5.717  11.111  -8.777  1.00  1.00           C
+ATOM   1186  C   THR    78       4.454  11.384  -9.596  1.00  1.00           C
+ATOM   1187  O   THR    78       4.356  12.409 -10.269  1.00  1.00           O
+ATOM   1191  H   THR    78       6.990  12.549  -9.584  1.00  1.00           H
+ATOM   1192  HA  THR    78       5.784  10.031  -8.643  1.00  1.00           H
+ATOM   1188  CB  THR    78       5.714  11.796  -7.409  1.00  1.00           C
+ATOM   1189  OG1 THR    78       5.089  10.848  -6.548  1.00  1.00           O
+ATOM   1190  CG2 THR    78       4.784  13.010  -7.363  1.00  1.00           C
+ATOM   1193  HB  THR    78       6.726  12.069  -7.109  1.00  1.00           H
+ATOM   1194  HG1 THR    78       5.441  10.949  -5.617  1.00  1.00           H
+ATOM   1195 HG21 THR    78       3.833  12.757  -7.831  1.00  1.00           H
+ATOM   1196 HG22 THR    78       4.615  13.300  -6.326  1.00  1.00           H
+ATOM   1197 HG23 THR    78       5.244  13.839  -7.902  1.00  1.00           H
+ATOM   1198  N   LEU    79       3.518  10.450  -9.511  1.00  1.00           N
+ATOM   1199  CA  LEU    79       2.266  10.577 -10.235  1.00  1.00           C
+ATOM   1200  C   LEU    79       1.726  11.999 -10.066  1.00  1.00           C
+ATOM   1201  O   LEU    79       1.387  12.660 -11.047  1.00  1.00           O
+ATOM   1206  H   LEU    79       3.606   9.619  -8.961  1.00  1.00           H
+ATOM   1207  HA  LEU    79       2.481  10.413 -11.292  1.00  1.00           H
+ATOM   1202  CB  LEU    79       1.281   9.490  -9.800  1.00  1.00           C
+ATOM   1203  CG  LEU    79       0.046   9.310 -10.684  1.00  1.00           C
+ATOM   1204  CD1 LEU    79      -0.733  10.620 -10.812  1.00  1.00           C
+ATOM   1205  CD2 LEU    79       0.427   8.734 -12.049  1.00  1.00           C
+ATOM   1208  HB2 LEU    79       1.815   8.540  -9.758  1.00  1.00           H
+ATOM   1209  HB3 LEU    79       0.949   9.713  -8.786  1.00  1.00           H
+ATOM   1210  HG  LEU    79      -0.616   8.588 -10.204  1.00  1.00           H
+ATOM   1211 HD11 LEU    79      -0.526  11.251  -9.948  1.00  1.00           H
+ATOM   1212 HD12 LEU    79      -0.426  11.138 -11.721  1.00  1.00           H
+ATOM   1213 HD13 LEU    79      -1.801  10.406 -10.858  1.00  1.00           H
+ATOM   1214 HD21 LEU    79       1.164   9.383 -12.524  1.00  1.00           H
+ATOM   1215 HD22 LEU    79       0.852   7.739 -11.918  1.00  1.00           H
+ATOM   1216 HD23 LEU    79      -0.460   8.671 -12.679  1.00  1.00           H
+ATOM   1217  N   ALA    80       1.661  12.428  -8.814  1.00  1.00           N
+ATOM   1218  CA  ALA    80       1.169  13.759  -8.504  1.00  1.00           C
+ATOM   1219  C   ALA    80       1.757  14.761  -9.498  1.00  1.00           C
+ATOM   1220  O   ALA    80       1.031  15.342 -10.302  1.00  1.00           O
+ATOM   1222  H   ALA    80       1.938  11.884  -8.022  1.00  1.00           H
+ATOM   1223  HA  ALA    80       0.084  13.745  -8.614  1.00  1.00           H
+ATOM   1221  CB  ALA    80       1.512  14.105  -7.054  1.00  1.00           C
+ATOM   1224  HB1 ALA    80       2.402  13.555  -6.750  1.00  1.00           H
+ATOM   1225  HB2 ALA    80       1.701  15.175  -6.971  1.00  1.00           H
+ATOM   1226  HB3 ALA    80       0.678  13.833  -6.408  1.00  1.00           H
+ATOM   1227  N   GLU    81       3.068  14.933  -9.411  1.00  1.00           N
+ATOM   1228  CA  GLU    81       3.764  15.855 -10.293  1.00  1.00           C
+ATOM   1229  C   GLU    81       3.254  15.702 -11.727  1.00  1.00           C
+ATOM   1230  O   GLU    81       3.303  16.650 -12.511  1.00  1.00           O
+ATOM   1236  H   GLU    81       3.652  14.456  -8.753  1.00  1.00           H
+ATOM   1237  HA  GLU    81       3.523  16.850  -9.918  1.00  1.00           H
+ATOM   1231  CB  GLU    81       5.277  15.645 -10.223  1.00  1.00           C
+ATOM   1232  CG  GLU    81       5.958  16.800  -9.486  1.00  1.00           C
+ATOM   1233  CD  GLU    81       6.219  16.439  -8.023  1.00  1.00           C
+ATOM   1234  OE1 GLU    81       6.822  15.367  -7.801  1.00  1.00           O
+ATOM   1235  OE2 GLU    81       5.809  17.245  -7.159  1.00  1.00           O
+ATOM   1238  HB2 GLU    81       5.494  14.705  -9.714  1.00  1.00           H
+ATOM   1239  HB3 GLU    81       5.683  15.561 -11.231  1.00  1.00           H
+ATOM   1240  HG2 GLU    81       6.900  17.044  -9.978  1.00  1.00           H
+ATOM   1241  HG3 GLU    81       5.330  17.689  -9.540  1.00  1.00           H
+ATOM   1242  N   LEU    82       2.776  14.504 -12.027  1.00  1.00           N
+ATOM   1243  CA  LEU    82       2.258  14.216 -13.354  1.00  1.00           C
+ATOM   1244  C   LEU    82       0.938  14.963 -13.554  1.00  1.00           C
+ATOM   1245  O   LEU    82       0.770  15.683 -14.537  1.00  1.00           O
+ATOM   1250  H   LEU    82       2.739  13.739 -11.384  1.00  1.00           H
+ATOM   1251  HA  LEU    82       2.981  14.594 -14.077  1.00  1.00           H
+ATOM   1246  CB  LEU    82       2.149  12.705 -13.571  1.00  1.00           C
+ATOM   1247  CG  LEU    82       2.446  12.207 -14.986  1.00  1.00           C
+ATOM   1248  CD1 LEU    82       3.747  11.402 -15.022  1.00  1.00           C
+ATOM   1249  CD2 LEU    82       1.265  11.414 -15.547  1.00  1.00           C
+ATOM   1252  HB2 LEU    82       2.833  12.209 -12.881  1.00  1.00           H
+ATOM   1253  HB3 LEU    82       1.141  12.391 -13.300  1.00  1.00           H
+ATOM   1254  HG  LEU    82       2.588  13.074 -15.631  1.00  1.00           H
+ATOM   1255 HD11 LEU    82       4.333  11.619 -14.129  1.00  1.00           H
+ATOM   1256 HD12 LEU    82       3.515  10.337 -15.054  1.00  1.00           H
+ATOM   1257 HD13 LEU    82       4.319  11.675 -15.908  1.00  1.00           H
+ATOM   1258 HD21 LEU    82       0.335  11.922 -15.297  1.00  1.00           H
+ATOM   1259 HD22 LEU    82       1.360  11.339 -16.631  1.00  1.00           H
+ATOM   1260 HD23 LEU    82       1.261  10.413 -15.114  1.00  1.00           H
+ATOM   1261  N   VAL    83       0.032  14.764 -12.607  1.00  1.00           N
+ATOM   1262  CA  VAL    83      -1.268  15.409 -12.668  1.00  1.00           C
+ATOM   1263  C   VAL    83      -1.090  16.920 -12.509  1.00  1.00           C
+ATOM   1264  O   VAL    83      -1.732  17.701 -13.210  1.00  1.00           O
+ATOM   1268  H   VAL    83       0.177  14.176 -11.811  1.00  1.00           H
+ATOM   1269  HA  VAL    83      -1.690  15.207 -13.651  1.00  1.00           H
+ATOM   1265  CB  VAL    83      -2.202  14.804 -11.617  1.00  1.00           C
+ATOM   1266  CG1 VAL    83      -3.561  15.505 -11.623  1.00  1.00           C
+ATOM   1267  CG2 VAL    83      -2.362  13.296 -11.829  1.00  1.00           C
+ATOM   1270  HB  VAL    83      -1.749  14.958 -10.637  1.00  1.00           H
+ATOM   1271 HG11 VAL    83      -3.847  15.735 -12.650  1.00  1.00           H
+ATOM   1272 HG12 VAL    83      -4.309  14.851 -11.176  1.00  1.00           H
+ATOM   1273 HG13 VAL    83      -3.496  16.429 -11.049  1.00  1.00           H
+ATOM   1274 HG21 VAL    83      -2.128  13.049 -12.865  1.00  1.00           H
+ATOM   1275 HG22 VAL    83      -1.680  12.762 -11.167  1.00  1.00           H
+ATOM   1276 HG23 VAL    83      -3.388  13.005 -11.608  1.00  1.00           H
+ATOM   1277  N   HIS    84      -0.216  17.287 -11.583  1.00  1.00           N
+ATOM   1278  CA  HIS    84       0.054  18.691 -11.323  1.00  1.00           C
+ATOM   1279  C   HIS    84       0.209  19.438 -12.649  1.00  1.00           C
+ATOM   1280  O   HIS    84      -0.499  20.411 -12.905  1.00  1.00           O
+ATOM   1287  H   HIS    84       0.302  16.646 -11.017  1.00  1.00           H
+ATOM   1288  HA  HIS    84      -0.815  19.084 -10.795  1.00  1.00           H
+ATOM   1281  CB  HIS    84       1.269  18.851 -10.407  1.00  1.00           C
+ATOM   1282  CG  HIS    84       0.972  19.567  -9.111  1.00  1.00           C
+ATOM   1283  ND1 HIS    84       1.935  19.798  -8.145  1.00  1.00           N
+ATOM   1284  CD2 HIS    84      -0.189  20.102  -8.634  1.00  1.00           C
+ATOM   1285  CE1 HIS    84       1.368  20.442  -7.136  1.00  1.00           C
+ATOM   1286  NE2 HIS    84       0.052  20.628  -7.440  1.00  1.00           N
+ATOM   1289  HB2 HIS    84       1.672  17.864 -10.181  1.00  1.00           H
+ATOM   1290  HB3 HIS    84       2.046  19.397 -10.943  1.00  1.00           H
+ATOM   1291  HD1 HIS    84       2.895  19.525  -8.199  1.00  1.00           H
+ATOM   1292  HD2 HIS    84      -1.150  20.096  -9.148  1.00  1.00           H
+ATOM   1293  HE1 HIS    84       1.866  20.766  -6.222  1.00  1.00           H
+ATOM   1294  N   HIS    85       1.141  18.954 -13.459  1.00  1.00           N
+ATOM   1295  CA  HIS    85       1.398  19.563 -14.752  1.00  1.00           C
+ATOM   1296  C   HIS    85       0.232  19.271 -15.699  1.00  1.00           C
+ATOM   1297  O   HIS    85      -0.223  20.156 -16.421  1.00  1.00           O
+ATOM   1304  H   HIS    85       1.712  18.163 -13.244  1.00  1.00           H
+ATOM   1305  HA  HIS    85       1.458  20.639 -14.585  1.00  1.00           H
+ATOM   1298  CB  HIS    85       2.746  19.103 -15.312  1.00  1.00           C
+ATOM   1299  CG  HIS    85       2.969  19.471 -16.759  1.00  1.00           C
+ATOM   1300  ND1 HIS    85       3.143  20.777 -17.182  1.00  1.00           N
+ATOM   1301  CD2 HIS    85       3.044  18.691 -17.875  1.00  1.00           C
+ATOM   1302  CE1 HIS    85       3.315  20.772 -18.495  1.00  1.00           C
+ATOM   1303  NE2 HIS    85       3.252  19.478 -18.923  1.00  1.00           N
+ATOM   1306  HB2 HIS    85       3.544  19.538 -14.709  1.00  1.00           H
+ATOM   1307  HB3 HIS    85       2.821  18.021 -15.206  1.00  1.00           H
+ATOM   1308  HD1 HIS    85       3.141  21.587 -16.595  1.00  1.00           H
+ATOM   1309  HD2 HIS    85       2.949  17.606 -17.902  1.00  1.00           H
+ATOM   1310  HE1 HIS    85       3.477  21.648 -19.125  1.00  1.00           H
+ATOM   1311  N   HIS    86      -0.217  18.025 -15.664  1.00  1.00           N
+ATOM   1312  CA  HIS    86      -1.320  17.603 -16.510  1.00  1.00           C
+ATOM   1313  C   HIS    86      -2.632  18.166 -15.960  1.00  1.00           C
+ATOM   1314  O   HIS    86      -3.713  17.759 -16.384  1.00  1.00           O
+ATOM   1321  H   HIS    86       0.160  17.311 -15.073  1.00  1.00           H
+ATOM   1322  HA  HIS    86      -1.138  18.027 -17.497  1.00  1.00           H
+ATOM   1315  CB  HIS    86      -1.344  16.080 -16.654  1.00  1.00           C
+ATOM   1316  CG  HIS    86      -0.139  15.511 -17.364  1.00  1.00           C
+ATOM   1317  ND1 HIS    86       0.547  16.202 -18.348  1.00  1.00           N
+ATOM   1318  CD2 HIS    86       0.497  14.313 -17.222  1.00  1.00           C
+ATOM   1319  CE1 HIS    86       1.547  15.445 -18.772  1.00  1.00           C
+ATOM   1320  NE2 HIS    86       1.514  14.273 -18.073  1.00  1.00           N
+ATOM   1323  HB2 HIS    86      -1.414  15.632 -15.663  1.00  1.00           H
+ATOM   1324  HB3 HIS    86      -2.243  15.791 -17.198  1.00  1.00           H
+ATOM   1325  HD1 HIS    86       0.325  17.119 -18.681  1.00  1.00           H
+ATOM   1326  HD2 HIS    86       0.216  13.522 -16.526  1.00  1.00           H
+ATOM   1327  HE1 HIS    86       2.270  15.710 -19.544  1.00  1.00           H
+ATOM   1328  N   SER    87      -2.495  19.095 -15.025  1.00  1.00           N
+ATOM   1329  CA  SER    87      -3.655  19.719 -14.413  1.00  1.00           C
+ATOM   1330  C   SER    87      -4.047  20.976 -15.194  1.00  1.00           C
+ATOM   1331  O   SER    87      -5.231  21.273 -15.345  1.00  1.00           O
+ATOM   1334  H   SER    87      -1.612  19.420 -14.687  1.00  1.00           H
+ATOM   1335  HA  SER    87      -4.447  18.972 -14.468  1.00  1.00           H
+ATOM   1332  CB  SER    87      -3.385  20.067 -12.948  1.00  1.00           C
+ATOM   1333  OG  SER    87      -4.565  20.502 -12.276  1.00  1.00           O
+ATOM   1336  HB2 SER    87      -2.978  19.194 -12.438  1.00  1.00           H
+ATOM   1337  HB3 SER    87      -2.629  20.850 -12.895  1.00  1.00           H
+ATOM   1338  HG  SER    87      -5.330  20.542 -12.919  1.00  1.00           H
+ATOM   1339  N   THR    88      -3.030  21.679 -15.670  1.00  1.00           N
+ATOM   1340  CA  THR    88      -3.253  22.896 -16.431  1.00  1.00           C
+ATOM   1341  C   THR    88      -2.665  22.761 -17.836  1.00  1.00           C
+ATOM   1342  O   THR    88      -3.101  23.442 -18.764  1.00  1.00           O
+ATOM   1346  H   THR    88      -2.070  21.429 -15.542  1.00  1.00           H
+ATOM   1347  HA  THR    88      -4.328  23.038 -16.545  1.00  1.00           H
+ATOM   1343  CB  THR    88      -2.665  24.065 -15.636  1.00  1.00           C
+ATOM   1344  OG1 THR    88      -3.755  24.528 -14.845  1.00  1.00           O
+ATOM   1345  CG2 THR    88      -2.315  25.260 -16.525  1.00  1.00           C
+ATOM   1348  HB  THR    88      -1.800  23.745 -15.056  1.00  1.00           H
+ATOM   1349  HG1 THR    88      -3.810  24.002 -13.996  1.00  1.00           H
+ATOM   1350 HG21 THR    88      -2.970  25.269 -17.397  1.00  1.00           H
+ATOM   1351 HG22 THR    88      -2.448  26.183 -15.962  1.00  1.00           H
+ATOM   1352 HG23 THR    88      -1.279  25.178 -16.852  1.00  1.00           H
+ATOM   1353  N   VAL    89      -1.685  21.877 -17.951  1.00  1.00           N
+ATOM   1354  CA  VAL    89      -1.034  21.644 -19.229  1.00  1.00           C
+ATOM   1355  C   VAL    89      -0.848  20.139 -19.435  1.00  1.00           C
+ATOM   1356  O   VAL    89       0.212  19.594 -19.133  1.00  1.00           O
+ATOM   1360  H   VAL    89      -1.337  21.327 -17.193  1.00  1.00           H
+ATOM   1361  HA  VAL    89      -1.692  22.026 -20.009  1.00  1.00           H
+ATOM   1357  CB  VAL    89       0.282  22.422 -19.295  1.00  1.00           C
+ATOM   1358  CG1 VAL    89       1.166  21.910 -20.434  1.00  1.00           C
+ATOM   1359  CG2 VAL    89       0.023  23.924 -19.436  1.00  1.00           C
+ATOM   1362  HB  VAL    89       0.815  22.261 -18.358  1.00  1.00           H
+ATOM   1363 HG11 VAL    89       0.556  21.746 -21.322  1.00  1.00           H
+ATOM   1364 HG12 VAL    89       1.938  22.646 -20.653  1.00  1.00           H
+ATOM   1365 HG13 VAL    89       1.633  20.971 -20.137  1.00  1.00           H
+ATOM   1366 HG21 VAL    89      -0.937  24.172 -18.984  1.00  1.00           H
+ATOM   1367 HG22 VAL    89       0.816  24.478 -18.932  1.00  1.00           H
+ATOM   1368 HG23 VAL    89       0.008  24.193 -20.492  1.00  1.00           H
+ATOM   1369  N   ALA    90      -1.896  19.510 -19.948  1.00  1.00           N
+ATOM   1370  CA  ALA    90      -1.862  18.079 -20.198  1.00  1.00           C
+ATOM   1371  C   ALA    90      -1.008  17.803 -21.436  1.00  1.00           C
+ATOM   1372  O   ALA    90      -1.512  17.319 -22.448  1.00  1.00           O
+ATOM   1374  H   ALA    90      -2.755  19.962 -20.190  1.00  1.00           H
+ATOM   1375  HA  ALA    90      -1.400  17.602 -19.333  1.00  1.00           H
+ATOM   1373  CB  ALA    90      -3.291  17.552 -20.345  1.00  1.00           C
+ATOM   1376  HB1 ALA    90      -3.997  18.365 -20.176  1.00  1.00           H
+ATOM   1377  HB2 ALA    90      -3.430  17.155 -21.352  1.00  1.00           H
+ATOM   1378  HB3 ALA    90      -3.464  16.762 -19.615  1.00  1.00           H
+ATOM   1379  N   ASP    91       0.273  18.120 -21.315  1.00  1.00           N
+ATOM   1380  CA  ASP    91       1.203  17.911 -22.411  1.00  1.00           C
+ATOM   1381  C   ASP    91       1.407  16.410 -22.622  1.00  1.00           C
+ATOM   1382  O   ASP    91       1.982  15.993 -23.627  1.00  1.00           O
+ATOM   1387  H   ASP    91       0.676  18.513 -20.488  1.00  1.00           H
+ATOM   1388  HA  ASP    91       0.743  18.394 -23.273  1.00  1.00           H
+ATOM   1383  CB  ASP    91       2.566  18.536 -22.105  1.00  1.00           C
+ATOM   1384  CG  ASP    91       3.772  17.699 -22.536  1.00  1.00           C
+ATOM   1385  OD1 ASP    91       4.066  16.717 -21.821  1.00  1.00           O
+ATOM   1386  OD2 ASP    91       4.373  18.062 -23.570  1.00  1.00           O
+ATOM   1389  HB2 ASP    91       2.622  19.507 -22.596  1.00  1.00           H
+ATOM   1390  HB3 ASP    91       2.633  18.717 -21.032  1.00  1.00           H
+ATOM   1391  N   GLY    92       0.926  15.639 -21.659  1.00  1.00           N
+ATOM   1392  CA  GLY    92       1.048  14.192 -21.727  1.00  1.00           C
+ATOM   1393  C   GLY    92      -0.317  13.535 -21.933  1.00  1.00           C
+ATOM   1394  O   GLY    92      -0.622  13.057 -23.025  1.00  1.00           O
+ATOM   1395  H   GLY    92       0.460  15.985 -20.846  1.00  1.00           H
+ATOM   1396  HA2 GLY    92       1.715  13.918 -22.544  1.00  1.00           H
+ATOM   1397  HA3 GLY    92       1.500  13.819 -20.808  1.00  1.00           H
+ATOM   1398  N   LEU    93      -1.105  13.533 -20.867  1.00  1.00           N
+ATOM   1399  CA  LEU    93      -2.432  12.943 -20.918  1.00  1.00           C
+ATOM   1400  C   LEU    93      -3.338  13.809 -21.797  1.00  1.00           C
+ATOM   1401  O   LEU    93      -3.383  15.028 -21.635  1.00  1.00           O
+ATOM   1406  H   LEU    93      -0.850  13.925 -19.983  1.00  1.00           H
+ATOM   1407  HA  LEU    93      -2.336  11.962 -21.383  1.00  1.00           H
+ATOM   1402  CB  LEU    93      -2.974  12.722 -19.504  1.00  1.00           C
+ATOM   1403  CG  LEU    93      -1.997  13.000 -18.360  1.00  1.00           C
+ATOM   1404  CD1 LEU    93      -2.700  12.907 -17.004  1.00  1.00           C
+ATOM   1405  CD2 LEU    93      -0.782  12.073 -18.441  1.00  1.00           C
+ATOM   1408  HB2 LEU    93      -3.851  13.357 -19.370  1.00  1.00           H
+ATOM   1409  HB3 LEU    93      -3.314  11.689 -19.424  1.00  1.00           H
+ATOM   1410  HG  LEU    93      -1.631  14.021 -18.464  1.00  1.00           H
+ATOM   1411 HD11 LEU    93      -3.372  12.048 -17.001  1.00  1.00           H
+ATOM   1412 HD12 LEU    93      -1.956  12.789 -16.217  1.00  1.00           H
+ATOM   1413 HD13 LEU    93      -3.274  13.818 -16.829  1.00  1.00           H
+ATOM   1414 HD21 LEU    93      -1.070  11.136 -18.914  1.00  1.00           H
+ATOM   1415 HD22 LEU    93       0.001  12.552 -19.028  1.00  1.00           H
+ATOM   1416 HD23 LEU    93      -0.411  11.873 -17.435  1.00  1.00           H
+ATOM   1417  N   ILE    94      -4.036  13.145 -22.705  1.00  1.00           N
+ATOM   1418  CA  ILE    94      -4.938  13.839 -23.609  1.00  1.00           C
+ATOM   1419  C   ILE    94      -5.756  14.864 -22.820  1.00  1.00           C
+ATOM   1420  O   ILE    94      -5.394  16.038 -22.758  1.00  1.00           O
+ATOM   1425  H   ILE    94      -3.993  12.154 -22.830  1.00  1.00           H
+ATOM   1426  HA  ILE    94      -4.326  14.373 -24.336  1.00  1.00           H
+ATOM   1421  CB  ILE    94      -5.793  12.837 -24.387  1.00  1.00           C
+ATOM   1422  CG1 ILE    94      -7.047  13.507 -24.951  1.00  1.00           C
+ATOM   1423  CG2 ILE    94      -6.132  11.620 -23.524  1.00  1.00           C
+ATOM   1424  CD1 ILE    94      -7.616  12.707 -26.125  1.00  1.00           C
+ATOM   1427  HB  ILE    94      -5.211  12.478 -25.235  1.00  1.00           H
+ATOM   1428 HG12 ILE    94      -7.800  13.595 -24.167  1.00  1.00           H
+ATOM   1429 HG13 ILE    94      -6.808  14.519 -25.277  1.00  1.00           H
+ATOM   1430 HG21 ILE    94      -6.012  11.875 -22.471  1.00  1.00           H
+ATOM   1431 HG22 ILE    94      -7.163  11.319 -23.709  1.00  1.00           H
+ATOM   1432 HG23 ILE    94      -5.463  10.798 -23.777  1.00  1.00           H
+ATOM   1433 HD11 ILE    94      -7.610  11.646 -25.878  1.00  1.00           H
+ATOM   1434 HD12 ILE    94      -8.639  13.029 -26.322  1.00  1.00           H
+ATOM   1435 HD13 ILE    94      -7.004  12.879 -27.010  1.00  1.00           H
+ATOM   1436  N   THR    95      -6.843  14.381 -22.236  1.00  1.00           N
+ATOM   1437  CA  THR    95      -7.716  15.240 -21.453  1.00  1.00           C
+ATOM   1438  C   THR    95      -6.948  15.854 -20.281  1.00  1.00           C
+ATOM   1439  O   THR    95      -5.951  15.294 -19.826  1.00  1.00           O
+ATOM   1443  H   THR    95      -7.130  13.424 -22.291  1.00  1.00           H
+ATOM   1444  HA  THR    95      -8.046  16.063 -22.086  1.00  1.00           H
+ATOM   1440  CB  THR    95      -8.928  14.413 -21.019  1.00  1.00           C
+ATOM   1441  OG1 THR    95      -9.557  15.214 -20.023  1.00  1.00           O
+ATOM   1442  CG2 THR    95      -8.530  13.138 -20.273  1.00  1.00           C
+ATOM   1445  HB  THR    95      -9.567  14.182 -21.871  1.00  1.00           H
+ATOM   1446  HG1 THR    95     -10.259  15.791 -20.441  1.00  1.00           H
+ATOM   1447 HG21 THR    95      -7.762  12.611 -20.840  1.00  1.00           H
+ATOM   1448 HG22 THR    95      -8.141  13.398 -19.289  1.00  1.00           H
+ATOM   1449 HG23 THR    95      -9.403  12.495 -20.161  1.00  1.00           H
+ATOM   1450  N   THR    96      -7.442  16.996 -19.825  1.00  1.00           N
+ATOM   1451  CA  THR    96      -6.814  17.692 -18.714  1.00  1.00           C
+ATOM   1452  C   THR    96      -7.530  17.360 -17.404  1.00  1.00           C
+ATOM   1453  O   THR    96      -8.698  17.699 -17.227  1.00  1.00           O
+ATOM   1457  H   THR    96      -8.253  17.444 -20.201  1.00  1.00           H
+ATOM   1458  HA  THR    96      -5.789  17.333 -18.618  1.00  1.00           H
+ATOM   1454  CB  THR    96      -6.803  19.186 -19.038  1.00  1.00           C
+ATOM   1455  OG1 THR    96      -8.134  19.611 -18.760  1.00  1.00           O
+ATOM   1456  CG2 THR    96      -6.629  19.460 -20.534  1.00  1.00           C
+ATOM   1459  HB  THR    96      -6.042  19.706 -18.457  1.00  1.00           H
+ATOM   1460  HG1 THR    96      -8.774  18.862 -18.927  1.00  1.00           H
+ATOM   1461 HG21 THR    96      -6.242  18.567 -21.024  1.00  1.00           H
+ATOM   1462 HG22 THR    96      -7.592  19.725 -20.969  1.00  1.00           H
+ATOM   1463 HG23 THR    96      -5.928  20.284 -20.674  1.00  1.00           H
+ATOM   1464  N   LEU    97      -6.799  16.699 -16.519  1.00  1.00           N
+ATOM   1465  CA  LEU    97      -7.349  16.316 -15.230  1.00  1.00           C
+ATOM   1466  C   LEU    97      -8.276  17.425 -14.726  1.00  1.00           C
+ATOM   1467  O   LEU    97      -7.844  18.561 -14.535  1.00  1.00           O
+ATOM   1472  H   LEU    97      -5.849  16.425 -16.669  1.00  1.00           H
+ATOM   1473  HA  LEU    97      -7.941  15.414 -15.381  1.00  1.00           H
+ATOM   1468  CB  LEU    97      -6.228  15.962 -14.251  1.00  1.00           C
+ATOM   1469  CG  LEU    97      -5.277  14.849 -14.696  1.00  1.00           C
+ATOM   1470  CD1 LEU    97      -3.923  15.421 -15.121  1.00  1.00           C
+ATOM   1471  CD2 LEU    97      -5.132  13.783 -13.608  1.00  1.00           C
+ATOM   1474  HB2 LEU    97      -5.640  16.860 -14.062  1.00  1.00           H
+ATOM   1475  HB3 LEU    97      -6.678  15.670 -13.302  1.00  1.00           H
+ATOM   1476  HG  LEU    97      -5.708  14.360 -15.570  1.00  1.00           H
+ATOM   1477 HD11 LEU    97      -3.743  16.358 -14.593  1.00  1.00           H
+ATOM   1478 HD12 LEU    97      -3.135  14.710 -14.876  1.00  1.00           H
+ATOM   1479 HD13 LEU    97      -3.927  15.605 -16.195  1.00  1.00           H
+ATOM   1480 HD21 LEU    97      -5.575  14.148 -12.681  1.00  1.00           H
+ATOM   1481 HD22 LEU    97      -5.644  12.872 -13.921  1.00  1.00           H
+ATOM   1482 HD23 LEU    97      -4.076  13.569 -13.446  1.00  1.00           H
+ATOM   1483  N   HIS    98      -9.533  17.057 -14.526  1.00  1.00           N
+ATOM   1484  CA  HIS    98     -10.524  18.006 -14.049  1.00  1.00           C
+ATOM   1485  C   HIS    98     -10.772  17.784 -12.555  1.00  1.00           C
+ATOM   1486  O   HIS    98     -10.242  18.514 -11.720  1.00  1.00           O
+ATOM   1493  H   HIS    98      -9.876  16.131 -14.684  1.00  1.00           H
+ATOM   1494  HA  HIS    98     -10.101  19.001 -14.194  1.00  1.00           H
+ATOM   1487  CB  HIS    98     -11.805  17.919 -14.882  1.00  1.00           C
+ATOM   1488  CG  HIS    98     -12.972  18.678 -14.295  1.00  1.00           C
+ATOM   1489  ND1 HIS    98     -12.840  19.934 -13.729  1.00  1.00           N
+ATOM   1490  CD2 HIS    98     -14.290  18.345 -14.194  1.00  1.00           C
+ATOM   1491  CE1 HIS    98     -14.033  20.329 -13.309  1.00  1.00           C
+ATOM   1492  NE2 HIS    98     -14.930  19.343 -13.597  1.00  1.00           N
+ATOM   1495  HB2 HIS    98     -11.602  18.302 -15.882  1.00  1.00           H
+ATOM   1496  HB3 HIS    98     -12.084  16.871 -14.991  1.00  1.00           H
+ATOM   1497  HD1 HIS    98     -11.990  20.454 -13.650  1.00  1.00           H
+ATOM   1498  HD2 HIS    98     -14.742  17.418 -14.544  1.00  1.00           H
+ATOM   1499  HE1 HIS    98     -14.258  21.276 -12.818  1.00  1.00           H
+ATOM   1500  N   TYR    99     -11.576  16.771 -12.267  1.00  1.00           N
+ATOM   1501  CA  TYR    99     -11.899  16.442 -10.889  1.00  1.00           C
+ATOM   1502  C   TYR    99     -12.184  14.948 -10.734  1.00  1.00           C
+ATOM   1503  O   TYR    99     -13.223  14.462 -11.176  1.00  1.00           O
+ATOM   1512  H   TYR    99     -12.001  16.182 -12.953  1.00  1.00           H
+ATOM   1513  HA  TYR    99     -11.043  16.707 -10.270  1.00  1.00           H
+ATOM   1504  CB  TYR    99     -13.169  17.229 -10.555  1.00  1.00           C
+ATOM   1505  CG  TYR    99     -14.465  16.464 -10.827  1.00  1.00           C
+ATOM   1506  CD1 TYR    99     -14.806  16.124 -12.121  1.00  1.00           C
+ATOM   1507  CD2 TYR    99     -15.292  16.113  -9.780  1.00  1.00           C
+ATOM   1508  CE1 TYR    99     -16.026  15.403 -12.377  1.00  1.00           C
+ATOM   1509  CE2 TYR    99     -16.512  15.392 -10.037  1.00  1.00           C
+ATOM   1510  CZ  TYR    99     -16.819  15.073 -11.323  1.00  1.00           C
+ATOM   1511  OH  TYR    99     -17.971  14.392 -11.565  1.00  1.00           O
+ATOM   1514  HB2 TYR    99     -13.141  17.514  -9.503  1.00  1.00           H
+ATOM   1515  HB3 TYR    99     -13.175  18.152 -11.134  1.00  1.00           H
+ATOM   1516  HD1 TYR    99     -14.153  16.400 -12.948  1.00  1.00           H
+ATOM   1517  HD2 TYR    99     -15.022  16.381  -8.758  1.00  1.00           H
+ATOM   1518  HE1 TYR    99     -16.308  15.128 -13.394  1.00  1.00           H
+ATOM   1519  HE2 TYR    99     -17.175  15.109  -9.219  1.00  1.00           H
+ATOM   1520  HH  TYR    99     -17.831  13.415 -11.408  1.00  1.00           H
+ATOM   1521  N   PRO   100     -11.218  14.242 -10.086  1.00  1.00           N
+ATOM   1522  CA  PRO   100     -11.355  12.812  -9.868  1.00  1.00           C
+ATOM   1523  C   PRO   100     -12.362  12.522  -8.752  1.00  1.00           C
+ATOM   1524  O   PRO   100     -11.991  12.433  -7.584  1.00  1.00           O
+ATOM   1528  HA  PRO   100     -11.719  12.370 -10.687  1.00  1.00           H
+ATOM   1525  CB  PRO   100      -9.952  12.328  -9.542  1.00  1.00           C
+ATOM   1526  CG  PRO   100      -9.169  13.565  -9.133  1.00  1.00           C
+ATOM   1527  CD  PRO   100      -9.975  14.785  -9.549  1.00  1.00           C
+ATOM   1529  HB2 PRO   100      -9.970  11.594  -8.736  1.00  1.00           H
+ATOM   1530  HB3 PRO   100      -9.495  11.844 -10.405  1.00  1.00           H
+ATOM   1531  HG2 PRO   100      -8.996  13.570  -8.057  1.00  1.00           H
+ATOM   1532  HG3 PRO   100      -8.190  13.572  -9.614  1.00  1.00           H
+ATOM   1533  HD2 PRO   100     -10.164  15.442  -8.700  1.00  1.00           H
+ATOM   1534  HD3 PRO   100      -9.444  15.375 -10.296  1.00  1.00           H
+ATOM   1535  N   ALA   101     -13.617  12.383  -9.154  1.00  1.00           N
+ATOM   1536  CA  ALA   101     -14.681  12.105  -8.204  1.00  1.00           C
+ATOM   1537  C   ALA   101     -14.245  10.969  -7.275  1.00  1.00           C
+ATOM   1538  O   ALA   101     -13.512  10.071  -7.688  1.00  1.00           O
+ATOM   1540  H   ALA   101     -13.911  12.456 -10.107  1.00  1.00           H
+ATOM   1541  HA  ALA   101     -14.841  13.005  -7.612  1.00  1.00           H
+ATOM   1539  CB  ALA   101     -15.969  11.776  -8.960  1.00  1.00           C
+ATOM   1542  HB1 ALA   101     -15.721  11.326  -9.921  1.00  1.00           H
+ATOM   1543  HB2 ALA   101     -16.566  11.077  -8.375  1.00  1.00           H
+ATOM   1544  HB3 ALA   101     -16.538  12.692  -9.124  1.00  1.00           H
+ATOM   1545  N   PRO   102     -14.725  11.050  -6.005  1.00  1.00           N
+ATOM   1546  CA  PRO   102     -14.392  10.039  -5.015  1.00  1.00           C
+ATOM   1547  C   PRO   102     -15.172   8.748  -5.266  1.00  1.00           C
+ATOM   1548  O   PRO   102     -16.333   8.787  -5.669  1.00  1.00           O
+ATOM   1552  HA  PRO   102     -13.425   9.792  -5.082  1.00  1.00           H
+ATOM   1549  CB  PRO   102     -14.719  10.680  -3.675  1.00  1.00           C
+ATOM   1550  CG  PRO   102     -15.652  11.840  -3.984  1.00  1.00           C
+ATOM   1551  CD  PRO   102     -15.594  12.099  -5.481  1.00  1.00           C
+ATOM   1553  HB2 PRO   102     -15.195   9.963  -3.006  1.00  1.00           H
+ATOM   1554  HB3 PRO   102     -13.813  11.029  -3.178  1.00  1.00           H
+ATOM   1555  HG2 PRO   102     -16.670  11.602  -3.677  1.00  1.00           H
+ATOM   1556  HG3 PRO   102     -15.351  12.730  -3.431  1.00  1.00           H
+ATOM   1557  HD2 PRO   102     -16.586  12.052  -5.929  1.00  1.00           H
+ATOM   1558  HD3 PRO   102     -15.193  13.089  -5.696  1.00  1.00           H
+ATOM   1559  N   LYS   103     -14.503   7.632  -5.016  1.00  1.00           N
+ATOM   1560  CA  LYS   103     -15.118   6.330  -5.209  1.00  1.00           C
+ATOM   1561  C   LYS   103     -14.993   5.514  -3.921  1.00  1.00           C
+ATOM   1562  O   LYS   103     -14.530   4.375  -3.946  1.00  1.00           O
+ATOM   1568  H   LYS   103     -13.558   7.608  -4.688  1.00  1.00           H
+ATOM   1569  HA  LYS   103     -16.177   6.496  -5.411  1.00  1.00           H
+ATOM   1563  CB  LYS   103     -14.527   5.635  -6.437  1.00  1.00           C
+ATOM   1564  CG  LYS   103     -13.029   5.921  -6.560  1.00  1.00           C
+ATOM   1565  CD  LYS   103     -12.225   5.064  -5.581  1.00  1.00           C
+ATOM   1566  CE  LYS   103     -11.823   5.875  -4.347  1.00  1.00           C
+ATOM   1567  NZ  LYS   103     -10.889   5.099  -3.499  1.00  1.00           N
+ATOM   1570  HB2 LYS   103     -14.691   4.560  -6.366  1.00  1.00           H
+ATOM   1571  HB3 LYS   103     -15.042   5.976  -7.335  1.00  1.00           H
+ATOM   1572  HG2 LYS   103     -12.700   5.720  -7.580  1.00  1.00           H
+ATOM   1573  HG3 LYS   103     -12.840   6.976  -6.367  1.00  1.00           H
+ATOM   1574  HD2 LYS   103     -12.816   4.201  -5.277  1.00  1.00           H
+ATOM   1575  HD3 LYS   103     -11.332   4.681  -6.075  1.00  1.00           H
+ATOM   1576  HE2 LYS   103     -11.353   6.809  -4.656  1.00  1.00           H
+ATOM   1577  HE3 LYS   103     -12.711   6.139  -3.772  1.00  1.00           H
+ATOM   1578  HZ1 LYS   103     -11.163   4.138  -3.495  1.00  1.00           H
+ATOM   1579  HZ2 LYS   103      -9.962   5.181  -3.865  1.00  1.00           H
+ATOM   1580  HZ3 LYS   103     -10.912   5.457  -2.566  1.00  1.00           H
+ATOM   1581  N   ARG   104     -15.413   6.130  -2.825  1.00  1.00           N
+ATOM   1582  CA  ARG   104     -15.354   5.475  -1.529  1.00  1.00           C
+ATOM   1583  C   ARG   104     -16.554   4.543  -1.350  1.00  1.00           C
+ATOM   1584  O   ARG   104     -16.390   3.371  -1.018  1.00  1.00           O
+ATOM   1592  H   ARG   104     -15.789   7.056  -2.813  1.00  1.00           H
+ATOM   1593  HA  ARG   104     -14.420   4.914  -1.544  1.00  1.00           H
+ATOM   1585  CB  ARG   104     -15.338   6.501  -0.395  1.00  1.00           C
+ATOM   1586  CG  ARG   104     -15.988   7.816  -0.834  1.00  1.00           C
+ATOM   1587  CD  ARG   104     -16.367   8.671   0.376  1.00  1.00           C
+ATOM   1588  NE  ARG   104     -17.700   9.280   0.167  1.00  1.00           N
+ATOM   1589  CZ  ARG   104     -17.905  10.433  -0.484  1.00  1.00           C
+ATOM   1590  NH1 ARG   104     -16.867  11.108  -0.995  1.00  1.00           N
+ATOM   1591  NH2 ARG   104     -19.150  10.909  -0.626  1.00  1.00           N
+ATOM   1594  HB2 ARG   104     -15.870   6.101   0.470  1.00  1.00           H
+ATOM   1595  HB3 ARG   104     -14.312   6.685  -0.080  1.00  1.00           H
+ATOM   1596  HG2 ARG   104     -15.299   8.368  -1.473  1.00  1.00           H
+ATOM   1597  HG3 ARG   104     -16.876   7.605  -1.429  1.00  1.00           H
+ATOM   1598  HD2 ARG   104     -16.375   8.058   1.277  1.00  1.00           H
+ATOM   1599  HD3 ARG   104     -15.621   9.452   0.529  1.00  1.00           H
+ATOM   1600  HE  ARG   104     -18.497   8.801   0.535  1.00  1.00           H
+ATOM   1601 HH11 ARG   104     -15.938  10.752  -0.888  1.00  1.00           H
+ATOM   1602 HH12 ARG   104     -17.020  11.969  -1.481  1.00  1.00           H
+ATOM   1603 HH21 ARG   104     -19.924  10.405  -0.246  1.00  1.00           H
+ATOM   1604 HH22 ARG   104     -19.303  11.769  -1.112  1.00  1.00           H
+ATOM   1605  N   GLY   105     -17.735   5.101  -1.577  1.00  1.00           N
+ATOM   1606  CA  GLY   105     -18.962   4.335  -1.445  1.00  1.00           C
+ATOM   1607  C   GLY   105     -19.614   4.102  -2.810  1.00  1.00           C
+ATOM   1608  O   GLY   105     -20.590   4.764  -3.157  1.00  1.00           O
+ATOM   1609  H   GLY   105     -17.860   6.056  -1.847  1.00  1.00           H
+ATOM   1610  HA2 GLY   105     -18.748   3.377  -0.971  1.00  1.00           H
+ATOM   1611  HA3 GLY   105     -19.657   4.865  -0.792  1.00  1.00           H
+ATOM   1612  N   ILE   106     -19.047   3.158  -3.546  1.00  1.00           N
+ATOM   1613  CA  ILE   106     -19.559   2.829  -4.865  1.00  1.00           C
+ATOM   1614  C   ILE   106     -20.610   1.724  -4.738  1.00  1.00           C
+ATOM   1615  O   ILE   106     -21.640   1.761  -5.409  1.00  1.00           O
+ATOM   1620  H   ILE   106     -18.252   2.624  -3.256  1.00  1.00           H
+ATOM   1621  HA  ILE   106     -20.043   3.722  -5.260  1.00  1.00           H
+ATOM   1616  CB  ILE   106     -18.411   2.480  -5.815  1.00  1.00           C
+ATOM   1617  CG1 ILE   106     -18.938   2.139  -7.210  1.00  1.00           C
+ATOM   1618  CG2 ILE   106     -17.545   1.357  -5.239  1.00  1.00           C
+ATOM   1619  CD1 ILE   106     -19.423   0.690  -7.274  1.00  1.00           C
+ATOM   1622  HB  ILE   106     -17.774   3.357  -5.916  1.00  1.00           H
+ATOM   1623 HG12 ILE   106     -19.756   2.811  -7.467  1.00  1.00           H
+ATOM   1624 HG13 ILE   106     -18.152   2.297  -7.948  1.00  1.00           H
+ATOM   1625 HG21 ILE   106     -18.185   0.605  -4.777  1.00  1.00           H
+ATOM   1626 HG22 ILE   106     -16.966   0.898  -6.040  1.00  1.00           H
+ATOM   1627 HG23 ILE   106     -16.868   1.768  -4.490  1.00  1.00           H
+ATOM   1628 HD11 ILE   106     -19.444   0.269  -6.269  1.00  1.00           H
+ATOM   1629 HD12 ILE   106     -20.425   0.660  -7.702  1.00  1.00           H
+ATOM   1630 HD13 ILE   106     -18.744   0.107  -7.897  1.00  1.00           H
+ATOM   1631  N   HIS   107     -20.313   0.766  -3.872  1.00  1.00           N
+ATOM   1632  CA  HIS   107     -21.218  -0.348  -3.648  1.00  1.00           C
+ATOM   1633  C   HIS   107     -20.514  -1.425  -2.820  1.00  1.00           C
+ATOM   1634  O   HIS   107     -19.400  -1.831  -3.143  1.00  1.00           O
+ATOM   1641  H   HIS   107     -19.473   0.742  -3.330  1.00  1.00           H
+ATOM   1642  HA  HIS   107     -22.061   0.043  -3.079  1.00  1.00           H
+ATOM   1635  CB  HIS   107     -21.761  -0.883  -4.976  1.00  1.00           C
+ATOM   1636  CG  HIS   107     -23.256  -0.745  -5.129  1.00  1.00           C
+ATOM   1637  ND1 HIS   107     -24.087  -1.821  -5.385  1.00  1.00           N
+ATOM   1638  CD2 HIS   107     -24.062   0.354  -5.056  1.00  1.00           C
+ATOM   1639  CE1 HIS   107     -25.333  -1.380  -5.464  1.00  1.00           C
+ATOM   1640  NE2 HIS   107     -25.316  -0.031  -5.260  1.00  1.00           N
+ATOM   1643  HB2 HIS   107     -21.272  -0.355  -5.795  1.00  1.00           H
+ATOM   1644  HB3 HIS   107     -21.492  -1.935  -5.069  1.00  1.00           H
+ATOM   1645  HD1 HIS   107     -23.795  -2.772  -5.494  1.00  1.00           H
+ATOM   1646  HD2 HIS   107     -23.731   1.374  -4.864  1.00  1.00           H
+ATOM   1647  HE1 HIS   107     -26.217  -1.987  -5.657  1.00  1.00           H
+ATOM   1648  N   ARG   108     -21.194  -1.854  -1.766  1.00  1.00           N
+ATOM   1649  CA  ARG   108     -20.648  -2.875  -0.889  1.00  1.00           C
+ATOM   1650  C   ARG   108     -21.607  -3.146   0.272  1.00  1.00           C
+ATOM   1651  O   ARG   108     -21.332  -2.768   1.410  1.00  1.00           O
+ATOM   1659  H   ARG   108     -22.100  -1.517  -1.510  1.00  1.00           H
+ATOM   1660  HA  ARG   108     -20.537  -3.756  -1.521  1.00  1.00           H
+ATOM   1652  CB  ARG   108     -19.288  -2.450  -0.329  1.00  1.00           C
+ATOM   1653  CG  ARG   108     -19.372  -1.071   0.328  1.00  1.00           C
+ATOM   1654  CD  ARG   108     -19.024   0.034  -0.670  1.00  1.00           C
+ATOM   1655  NE  ARG   108     -18.368   1.162   0.030  1.00  1.00           N
+ATOM   1656  CZ  ARG   108     -18.980   1.942   0.932  1.00  1.00           C
+ATOM   1657  NH1 ARG   108     -20.263   1.723   1.247  1.00  1.00           N
+ATOM   1658  NH2 ARG   108     -18.307   2.942   1.518  1.00  1.00           N
+ATOM   1661  HB2 ARG   108     -18.945  -3.184   0.400  1.00  1.00           H
+ATOM   1662  HB3 ARG   108     -18.551  -2.429  -1.132  1.00  1.00           H
+ATOM   1663  HG2 ARG   108     -20.378  -0.910   0.717  1.00  1.00           H
+ATOM   1664  HG3 ARG   108     -18.691  -1.027   1.178  1.00  1.00           H
+ATOM   1665  HD2 ARG   108     -18.362  -0.358  -1.444  1.00  1.00           H
+ATOM   1666  HD3 ARG   108     -19.927   0.383  -1.171  1.00  1.00           H
+ATOM   1667  HE  ARG   108     -17.410   1.352  -0.181  1.00  1.00           H
+ATOM   1668 HH11 ARG   108     -20.765   0.978   0.811  1.00  1.00           H
+ATOM   1669 HH12 ARG   108     -20.719   2.306   1.921  1.00  1.00           H
+ATOM   1670 HH21 ARG   108     -17.348   3.105   1.283  1.00  1.00           H
+ATOM   1671 HH22 ARG   108     -18.763   3.525   2.191  1.00  1.00           H
+ATOM   1672  N   ASP   109     -22.713  -3.797  -0.056  1.00  1.00           N
+ATOM   1673  CA  ASP   109     -23.714  -4.123   0.944  1.00  1.00           C
+ATOM   1674  C   ASP   109     -24.243  -2.831   1.571  1.00  1.00           C
+ATOM   1675  O   ASP   109     -23.690  -1.765   1.224  1.00  1.00           O
+ATOM   1681  H   ASP   109     -22.929  -4.100  -0.984  1.00  1.00           H
+ATOM   1682  HA  ASP   109     -24.488  -4.673   0.408  1.00  1.00           H
+ATOM   1676  CB  ASP   109     -23.117  -4.981   2.063  1.00  1.00           C
+ATOM   1677  CG  ASP   109     -23.871  -4.924   3.393  1.00  1.00           C
+ATOM   1678  OD1 ASP   109     -25.036  -5.475   3.383  1.00  1.00           O
+ATOM   1679  OD2 ASP   109     -23.368  -4.382   4.389  1.00  1.00           O
+ATOM   1683  HB2 ASP   109     -23.083  -6.017   1.726  1.00  1.00           H
+ATOM   1684  HB3 ASP   109     -22.088  -4.666   2.231  1.00  1.00           H
+ATOM   1680  OXT ASP   109     -25.170  -2.863   2.378  1.00  1.00           O
+TER
+END
diff --git a/Mobi/data/stdout1 b/Mobi/data/stdout1
new file mode 100644
index 0000000..e82fce4
--- /dev/null
+++ b/Mobi/data/stdout1
@@ -0,0 +1,1695 @@
+SEQRES   0   109   GLY SER GLY ASN SER LEU GLU LYS HIS SER TRP TYR HIS 
+SEQRES   1   109   GLY PRO VAL SER ARG ASN ALA ALA GLU TYR LEU LEU SER 
+SEQRES   2   109   SER GLY ILE ASN GLY SER PHE LEU VAL ARG GLU SER GLU 
+SEQRES   3   109   SER SER PRO GLY GLN ARG SER ILE SER LEU ARG TYR GLU 
+SEQRES   4   109   GLY ARG VAL TYR HIS TYR ARG ILE ASN THR ALA SER ASP 
+SEQRES   5   109   GLY LYS LEU TYR VAL SER SER GLU SER ARG PHE ASN THR 
+SEQRES   6   109   LEU ALA GLU LEU VAL HIS HIS HIS SER THR VAL ALA ASP 
+SEQRES   7   109   GLY LEU ILE THR THR LEU HIS TYR PRO ALA PRO LYS ARG 
+SEQRES   9   109   GLY ILE HIS ARG ASP 
+ATOM      1  N   GLY     1     -12.301  -1.087   1.440  1.00  1.00           N
+ATOM      2  CA  GLY     1     -12.028  -1.646   0.126  1.00  1.00           C
+ATOM      3  C   GLY     1     -11.475  -0.579  -0.821  1.00  1.00           C
+ATOM      4  O   GLY     1     -11.210   0.547  -0.405  1.00  1.00           O
+ATOM      5  H1  GLY     1     -11.478  -0.598   1.776  1.00  1.00           H
+ATOM      6  H2  GLY     1     -13.077  -0.437   1.375  1.00  1.00           H
+ATOM      7  H3  GLY     1     -12.537  -1.833   2.083  1.00  1.00           H
+ATOM      8  HA2 GLY     1     -11.312  -2.463   0.217  1.00  1.00           H
+ATOM      9  HA3 GLY     1     -12.942  -2.070  -0.289  1.00  1.00           H
+ATOM     10  N   SER     2     -11.320  -0.972  -2.077  1.00  1.00           N
+ATOM     11  CA  SER     2     -10.804  -0.064  -3.086  1.00  1.00           C
+ATOM     12  C   SER     2      -9.349   0.291  -2.777  1.00  1.00           C
+ATOM     13  O   SER     2      -8.443  -0.078  -3.523  1.00  1.00           O
+ATOM     16  H   SER     2     -11.538  -1.891  -2.406  1.00  1.00           H
+ATOM     17  HA  SER     2     -10.872  -0.609  -4.028  1.00  1.00           H
+ATOM     14  CB  SER     2     -11.654   1.206  -3.172  1.00  1.00           C
+ATOM     15  OG  SER     2     -12.907   0.968  -3.807  1.00  1.00           O
+ATOM     18  HB2 SER     2     -11.826   1.595  -2.167  1.00  1.00           H
+ATOM     19  HB3 SER     2     -11.108   1.972  -3.720  1.00  1.00           H
+ATOM     20  HG  SER     2     -12.976   0.008  -4.080  1.00  1.00           H
+ATOM     21  N   GLY     3      -9.169   1.005  -1.674  1.00  1.00           N
+ATOM     22  CA  GLY     3      -7.838   1.414  -1.257  1.00  1.00           C
+ATOM     23  C   GLY     3      -6.846   0.255  -1.371  1.00  1.00           C
+ATOM     24  O   GLY     3      -7.169  -0.880  -1.021  1.00  1.00           O
+ATOM     25  H   GLY     3      -9.910   1.302  -1.073  1.00  1.00           H
+ATOM     26  HA2 GLY     3      -7.501   2.249  -1.871  1.00  1.00           H
+ATOM     27  HA3 GLY     3      -7.871   1.769  -0.227  1.00  1.00           H
+ATOM     28  N   ASN     4      -5.660   0.579  -1.863  1.00  1.00           N
+ATOM     29  CA  ASN     4      -4.619  -0.420  -2.029  1.00  1.00           C
+ATOM     30  C   ASN     4      -3.249   0.255  -1.929  1.00  1.00           C
+ATOM     31  O   ASN     4      -2.410  -0.151  -1.128  1.00  1.00           O
+ATOM     36  H   ASN     4      -5.406   1.506  -2.144  1.00  1.00           H
+ATOM     37  HA  ASN     4      -4.787  -1.143  -1.230  1.00  1.00           H
+ATOM     32  CB  ASN     4      -4.715  -1.095  -3.398  1.00  1.00           C
+ATOM     33  CG  ASN     4      -3.651  -2.183  -3.550  1.00  1.00           C
+ATOM     34  OD1 ASN     4      -2.474  -1.973  -3.309  1.00  1.00           O
+ATOM     35  ND2 ASN     4      -4.128  -3.354  -3.963  1.00  1.00           N
+ATOM     38  HB2 ASN     4      -5.707  -1.531  -3.523  1.00  1.00           H
+ATOM     39  HB3 ASN     4      -4.595  -0.349  -4.184  1.00  1.00           H
+ATOM     40 HD21 ASN     4      -5.107  -3.459  -4.144  1.00  1.00           H
+ATOM     41 HD22 ASN     4      -3.510  -4.128  -4.093  1.00  1.00           H
+ATOM     42  N   SER     5      -3.067   1.274  -2.756  1.00  1.00           N
+ATOM     43  CA  SER     5      -1.813   2.009  -2.773  1.00  1.00           C
+ATOM     44  C   SER     5      -1.983   3.348  -2.051  1.00  1.00           C
+ATOM     45  O   SER     5      -1.519   4.379  -2.534  1.00  1.00           O
+ATOM     48  H   SER     5      -3.755   1.597  -3.405  1.00  1.00           H
+ATOM     49  HA  SER     5      -1.102   1.377  -2.243  1.00  1.00           H
+ATOM     46  CB  SER     5      -1.325   2.236  -4.205  1.00  1.00           C
+ATOM     47  OG  SER     5      -2.352   2.762  -5.040  1.00  1.00           O
+ATOM     50  HB2 SER     5      -0.477   2.920  -4.195  1.00  1.00           H
+ATOM     51  HB3 SER     5      -0.969   1.293  -4.619  1.00  1.00           H
+ATOM     52  HG  SER     5      -2.016   3.570  -5.527  1.00  1.00           H
+ATOM     53  N   LEU     6      -2.648   3.287  -0.907  1.00  1.00           N
+ATOM     54  CA  LEU     6      -2.884   4.483  -0.114  1.00  1.00           C
+ATOM     55  C   LEU     6      -3.750   5.458  -0.916  1.00  1.00           C
+ATOM     56  O   LEU     6      -3.617   5.553  -2.135  1.00  1.00           O
+ATOM     61  H   LEU     6      -3.021   2.444  -0.522  1.00  1.00           H
+ATOM     62  HA  LEU     6      -3.437   4.180   0.775  1.00  1.00           H
+ATOM     57  CB  LEU     6      -1.558   5.083   0.358  1.00  1.00           C
+ATOM     58  CG  LEU     6      -1.026   4.563   1.695  1.00  1.00           C
+ATOM     59  CD1 LEU     6      -1.997   4.884   2.834  1.00  1.00           C
+ATOM     60  CD2 LEU     6      -0.710   3.068   1.616  1.00  1.00           C
+ATOM     63  HB2 LEU     6      -0.805   4.896  -0.407  1.00  1.00           H
+ATOM     64  HB3 LEU     6      -1.677   6.163   0.431  1.00  1.00           H
+ATOM     65  HG  LEU     6      -0.091   5.079   1.914  1.00  1.00           H
+ATOM     66 HD11 LEU     6      -2.582   5.766   2.574  1.00  1.00           H
+ATOM     67 HD12 LEU     6      -2.665   4.037   2.990  1.00  1.00           H
+ATOM     68 HD13 LEU     6      -1.433   5.077   3.747  1.00  1.00           H
+ATOM     69 HD21 LEU     6      -0.128   2.867   0.717  1.00  1.00           H
+ATOM     70 HD22 LEU     6      -0.136   2.772   2.494  1.00  1.00           H
+ATOM     71 HD23 LEU     6      -1.640   2.501   1.581  1.00  1.00           H
+ATOM     72  N   GLU     7      -4.616   6.156  -0.199  1.00  1.00           N
+ATOM     73  CA  GLU     7      -5.502   7.120  -0.827  1.00  1.00           C
+ATOM     74  C   GLU     7      -4.734   8.394  -1.185  1.00  1.00           C
+ATOM     75  O   GLU     7      -4.973   9.452  -0.604  1.00  1.00           O
+ATOM     81  H   GLU     7      -4.717   6.074   0.793  1.00  1.00           H
+ATOM     82  HA  GLU     7      -5.860   6.637  -1.735  1.00  1.00           H
+ATOM     76  CB  GLU     7      -6.697   7.437   0.076  1.00  1.00           C
+ATOM     77  CG  GLU     7      -8.001   6.932  -0.544  1.00  1.00           C
+ATOM     78  CD  GLU     7      -9.206   7.685   0.023  1.00  1.00           C
+ATOM     79  OE1 GLU     7      -9.205   8.957  -0.191  1.00  1.00           O
+ATOM     80  OE2 GLU     7     -10.090   7.068   0.637  1.00  1.00           O
+ATOM     83  HB2 GLU     7      -6.551   6.975   1.053  1.00  1.00           H
+ATOM     84  HB3 GLU     7      -6.760   8.513   0.238  1.00  1.00           H
+ATOM     85  HG2 GLU     7      -7.967   7.058  -1.626  1.00  1.00           H
+ATOM     86  HG3 GLU     7      -8.111   5.864  -0.350  1.00  1.00           H
+ATOM     87  N   LYS     8      -3.826   8.251  -2.140  1.00  1.00           N
+ATOM     88  CA  LYS     8      -3.021   9.377  -2.582  1.00  1.00           C
+ATOM     89  C   LYS     8      -3.932  10.578  -2.840  1.00  1.00           C
+ATOM     90  O   LYS     8      -4.310  11.286  -1.907  1.00  1.00           O
+ATOM     96  H   LYS     8      -3.638   7.387  -2.607  1.00  1.00           H
+ATOM     97  HA  LYS     8      -2.338   9.627  -1.771  1.00  1.00           H
+ATOM     91  CB  LYS     8      -2.167   8.982  -3.788  1.00  1.00           C
+ATOM     92  CG  LYS     8      -0.787   9.639  -3.720  1.00  1.00           C
+ATOM     93  CD  LYS     8      -0.844  11.089  -4.202  1.00  1.00           C
+ATOM     94  CE  LYS     8      -0.514  12.059  -3.067  1.00  1.00           C
+ATOM     95  NZ  LYS     8       0.948  12.272  -2.977  1.00  1.00           N
+ATOM     98  HB2 LYS     8      -2.056   7.899  -3.823  1.00  1.00           H
+ATOM     99  HB3 LYS     8      -2.671   9.281  -4.708  1.00  1.00           H
+ATOM    100  HG2 LYS     8      -0.416   9.607  -2.696  1.00  1.00           H
+ATOM    101  HG3 LYS     8      -0.082   9.076  -4.332  1.00  1.00           H
+ATOM    102  HD2 LYS     8      -0.140  11.231  -5.023  1.00  1.00           H
+ATOM    103  HD3 LYS     8      -1.837  11.306  -4.594  1.00  1.00           H
+ATOM    104  HE2 LYS     8      -1.016  13.011  -3.236  1.00  1.00           H
+ATOM    105  HE3 LYS     8      -0.889  11.664  -2.124  1.00  1.00           H
+ATOM    106  HZ1 LYS     8       1.346  12.275  -3.904  1.00  1.00           H
+ATOM    107  HZ2 LYS     8       1.131  13.159  -2.529  1.00  1.00           H
+ATOM    108  HZ3 LYS     8       1.405  11.546  -2.438  1.00  1.00           H
+ATOM    109  N   HIS     9      -4.256  10.774  -4.110  1.00  1.00           N
+ATOM    110  CA  HIS     9      -5.114  11.879  -4.502  1.00  1.00           C
+ATOM    111  C   HIS     9      -6.581  11.480  -4.316  1.00  1.00           C
+ATOM    112  O   HIS     9      -6.880  10.328  -4.006  1.00  1.00           O
+ATOM    119  H   HIS     9      -3.944  10.194  -4.861  1.00  1.00           H
+ATOM    120  HA  HIS     9      -4.884  12.707  -3.831  1.00  1.00           H
+ATOM    113  CB  HIS     9      -4.800  12.332  -5.927  1.00  1.00           C
+ATOM    114  CG  HIS     9      -3.612  13.259  -6.030  1.00  1.00           C
+ATOM    115  ND1 HIS     9      -2.675  13.389  -5.020  1.00  1.00           N
+ATOM    116  CD2 HIS     9      -3.219  14.096  -7.032  1.00  1.00           C
+ATOM    117  CE1 HIS     9      -1.763  14.270  -5.407  1.00  1.00           C
+ATOM    118  NE2 HIS     9      -2.102  14.707  -6.654  1.00  1.00           N
+ATOM    121  HB2 HIS     9      -4.615  11.452  -6.545  1.00  1.00           H
+ATOM    122  HB3 HIS     9      -5.675  12.833  -6.341  1.00  1.00           H
+ATOM    123  HD1 HIS     9      -2.683  12.903  -4.146  1.00  1.00           H
+ATOM    124  HD2 HIS     9      -3.734  14.239  -7.981  1.00  1.00           H
+ATOM    125  HE1 HIS     9      -0.895  14.589  -4.830  1.00  1.00           H
+ATOM    126  N   SER    10      -7.454  12.456  -4.513  1.00  1.00           N
+ATOM    127  CA  SER    10      -8.882  12.222  -4.371  1.00  1.00           C
+ATOM    128  C   SER    10      -9.443  11.619  -5.660  1.00  1.00           C
+ATOM    129  O   SER    10     -10.607  11.837  -5.997  1.00  1.00           O
+ATOM    132  H   SER    10      -7.203  13.391  -4.765  1.00  1.00           H
+ATOM    133  HA  SER    10      -8.979  11.517  -3.545  1.00  1.00           H
+ATOM    130  CB  SER    10      -9.621  13.516  -4.025  1.00  1.00           C
+ATOM    131  OG  SER    10      -9.781  13.679  -2.619  1.00  1.00           O
+ATOM    134  HB2 SER    10      -9.072  14.366  -4.429  1.00  1.00           H
+ATOM    135  HB3 SER    10     -10.600  13.513  -4.503  1.00  1.00           H
+ATOM    136  HG  SER    10      -9.450  14.582  -2.339  1.00  1.00           H
+ATOM    137  N   TRP    11      -8.592  10.870  -6.346  1.00  1.00           N
+ATOM    138  CA  TRP    11      -8.989  10.235  -7.590  1.00  1.00           C
+ATOM    139  C   TRP    11      -8.217   8.919  -7.717  1.00  1.00           C
+ATOM    140  O   TRP    11      -8.292   8.247  -8.743  1.00  1.00           O
+ATOM    151  H   TRP    11      -7.648  10.698  -6.065  1.00  1.00           H
+ATOM    152  HA  TRP    11     -10.059  10.035  -7.536  1.00  1.00           H
+ATOM    141  CB  TRP    11      -8.771  11.171  -8.780  1.00  1.00           C
+ATOM    142  CG  TRP    11      -7.418  11.888  -8.767  1.00  1.00           C
+ATOM    143  CD1 TRP    11      -7.183  13.202  -8.649  1.00  1.00           C
+ATOM    144  CD2 TRP    11      -6.118  11.273  -8.882  1.00  1.00           C
+ATOM    145  NE1 TRP    11      -5.831  13.478  -8.680  1.00  1.00           N
+ATOM    146  CE2 TRP    11      -5.163  12.269  -8.825  1.00  1.00           C
+ATOM    147  CE3 TRP    11      -5.760   9.922  -9.029  1.00  1.00           C
+ATOM    148  CZ2 TRP    11      -3.788  12.016  -8.909  1.00  1.00           C
+ATOM    149  CZ3 TRP    11      -4.383   9.687  -9.111  1.00  1.00           C
+ATOM    150  CH2 TRP    11      -3.408  10.677  -9.055  1.00  1.00           C
+ATOM    153  HB2 TRP    11      -8.857  10.597  -9.702  1.00  1.00           H
+ATOM    154  HB3 TRP    11      -9.566  11.918  -8.793  1.00  1.00           H
+ATOM    155  HD1 TRP    11      -7.960  13.958  -8.542  1.00  1.00           H
+ATOM    156  HE1 TRP    11      -5.371  14.463  -8.604  1.00  1.00           H
+ATOM    157  HE3 TRP    11      -6.495   9.119  -9.077  1.00  1.00           H
+ATOM    158  HZ2 TRP    11      -3.053  12.819  -8.861  1.00  1.00           H
+ATOM    159  HZ3 TRP    11      -4.051   8.655  -9.225  1.00  1.00           H
+ATOM    160  HH2 TRP    11      -2.354  10.411  -9.126  1.00  1.00           H
+ATOM    161  N   TYR    12      -7.492   8.593  -6.657  1.00  1.00           N
+ATOM    162  CA  TYR    12      -6.706   7.369  -6.636  1.00  1.00           C
+ATOM    163  C   TYR    12      -7.098   6.487  -5.449  1.00  1.00           C
+ATOM    164  O   TYR    12      -6.888   6.863  -4.296  1.00  1.00           O
+ATOM    173  H   TYR    12      -7.435   9.145  -5.825  1.00  1.00           H
+ATOM    174  HA  TYR    12      -6.902   6.828  -7.561  1.00  1.00           H
+ATOM    165  CB  TYR    12      -5.249   7.808  -6.473  1.00  1.00           C
+ATOM    166  CG  TYR    12      -4.230   6.732  -6.859  1.00  1.00           C
+ATOM    167  CD1 TYR    12      -4.576   5.746  -7.758  1.00  1.00           C
+ATOM    168  CD2 TYR    12      -2.966   6.752  -6.306  1.00  1.00           C
+ATOM    169  CE1 TYR    12      -3.617   4.734  -8.121  1.00  1.00           C
+ATOM    170  CE2 TYR    12      -2.006   5.741  -6.669  1.00  1.00           C
+ATOM    171  CZ  TYR    12      -2.379   4.781  -7.559  1.00  1.00           C
+ATOM    172  OH  TYR    12      -1.474   3.827  -7.901  1.00  1.00           O
+ATOM    175  HB2 TYR    12      -5.076   8.693  -7.083  1.00  1.00           H
+ATOM    176  HB3 TYR    12      -5.082   8.097  -5.435  1.00  1.00           H
+ATOM    177  HD1 TYR    12      -5.576   5.731  -8.194  1.00  1.00           H
+ATOM    178  HD2 TYR    12      -2.692   7.531  -5.595  1.00  1.00           H
+ATOM    179  HE1 TYR    12      -3.877   3.949  -8.831  1.00  1.00           H
+ATOM    180  HE2 TYR    12      -1.004   5.744  -6.241  1.00  1.00           H
+ATOM    181  HH  TYR    12      -1.318   3.843  -8.889  1.00  1.00           H
+ATOM    182  N   HIS    13      -7.659   5.330  -5.771  1.00  1.00           N
+ATOM    183  CA  HIS    13      -8.080   4.392  -4.746  1.00  1.00           C
+ATOM    184  C   HIS    13      -7.310   3.081  -4.903  1.00  1.00           C
+ATOM    185  O   HIS    13      -7.696   2.058  -4.338  1.00  1.00           O
+ATOM    192  H   HIS    13      -7.824   5.033  -6.711  1.00  1.00           H
+ATOM    193  HA  HIS    13      -7.824   4.842  -3.786  1.00  1.00           H
+ATOM    186  CB  HIS    13      -9.598   4.197  -4.779  1.00  1.00           C
+ATOM    187  CG  HIS    13     -10.261   4.753  -6.016  1.00  1.00           C
+ATOM    188  ND1 HIS    13     -11.015   3.975  -6.877  1.00  1.00           N
+ATOM    189  CD2 HIS    13     -10.277   6.017  -6.527  1.00  1.00           C
+ATOM    190  CE1 HIS    13     -11.459   4.747  -7.858  1.00  1.00           C
+ATOM    191  NE2 HIS    13     -10.999   6.013  -7.640  1.00  1.00           N
+ATOM    194  HB2 HIS    13      -9.817   3.132  -4.708  1.00  1.00           H
+ATOM    195  HB3 HIS    13     -10.034   4.671  -3.900  1.00  1.00           H
+ATOM    196  HD1 HIS    13     -11.195   2.996  -6.775  1.00  1.00           H
+ATOM    197  HD2 HIS    13      -9.779   6.886  -6.094  1.00  1.00           H
+ATOM    198  HE1 HIS    13     -12.082   4.427  -8.693  1.00  1.00           H
+ATOM    199  N   GLY    14      -6.235   3.151  -5.674  1.00  1.00           N
+ATOM    200  CA  GLY    14      -5.407   1.981  -5.912  1.00  1.00           C
+ATOM    201  C   GLY    14      -5.423   1.590  -7.392  1.00  1.00           C
+ATOM    202  O   GLY    14      -6.147   2.187  -8.187  1.00  1.00           O
+ATOM    203  H   GLY    14      -5.927   3.986  -6.129  1.00  1.00           H
+ATOM    204  HA2 GLY    14      -4.383   2.185  -5.598  1.00  1.00           H
+ATOM    205  HA3 GLY    14      -5.766   1.148  -5.308  1.00  1.00           H
+ATOM    206  N   PRO    15      -4.595   0.564  -7.724  1.00  1.00           N
+ATOM    207  CA  PRO    15      -4.508   0.086  -9.094  1.00  1.00           C
+ATOM    208  C   PRO    15      -5.739  -0.742  -9.465  1.00  1.00           C
+ATOM    209  O   PRO    15      -6.052  -1.727  -8.800  1.00  1.00           O
+ATOM    213  HA  PRO    15      -4.494   0.858  -9.730  1.00  1.00           H
+ATOM    210  CB  PRO    15      -3.215  -0.712  -9.150  1.00  1.00           C
+ATOM    211  CG  PRO    15      -2.866  -1.042  -7.707  1.00  1.00           C
+ATOM    212  CD  PRO    15      -3.723  -0.166  -6.809  1.00  1.00           C
+ATOM    214  HB2 PRO    15      -3.343  -1.620  -9.739  1.00  1.00           H
+ATOM    215  HB3 PRO    15      -2.420  -0.136  -9.622  1.00  1.00           H
+ATOM    216  HG2 PRO    15      -3.050  -2.096  -7.503  1.00  1.00           H
+ATOM    217  HG3 PRO    15      -1.807  -0.861  -7.521  1.00  1.00           H
+ATOM    218  HD2 PRO    15      -4.300  -0.765  -6.106  1.00  1.00           H
+ATOM    219  HD3 PRO    15      -3.109   0.515  -6.219  1.00  1.00           H
+ATOM    220  N   VAL    16      -6.404  -0.310 -10.527  1.00  1.00           N
+ATOM    221  CA  VAL    16      -7.594  -0.999 -10.995  1.00  1.00           C
+ATOM    222  C   VAL    16      -7.397  -1.415 -12.455  1.00  1.00           C
+ATOM    223  O   VAL    16      -6.661  -0.764 -13.196  1.00  1.00           O
+ATOM    227  H   VAL    16      -6.143   0.492 -11.064  1.00  1.00           H
+ATOM    228  HA  VAL    16      -7.714  -1.897 -10.388  1.00  1.00           H
+ATOM    224  CB  VAL    16      -8.826  -0.117 -10.786  1.00  1.00           C
+ATOM    225  CG1 VAL    16     -10.054  -0.716 -11.476  1.00  1.00           C
+ATOM    226  CG2 VAL    16      -9.091   0.110  -9.296  1.00  1.00           C
+ATOM    229  HB  VAL    16      -8.625   0.853 -11.240  1.00  1.00           H
+ATOM    230 HG11 VAL    16      -9.985  -1.805 -11.460  1.00  1.00           H
+ATOM    231 HG12 VAL    16     -10.955  -0.401 -10.951  1.00  1.00           H
+ATOM    232 HG13 VAL    16     -10.094  -0.371 -12.509  1.00  1.00           H
+ATOM    233 HG21 VAL    16      -9.169  -0.853  -8.791  1.00  1.00           H
+ATOM    234 HG22 VAL    16      -8.271   0.682  -8.864  1.00  1.00           H
+ATOM    235 HG23 VAL    16     -10.024   0.660  -9.172  1.00  1.00           H
+ATOM    236  N   SER    17      -8.068  -2.496 -12.825  1.00  1.00           N
+ATOM    237  CA  SER    17      -7.976  -3.004 -14.183  1.00  1.00           C
+ATOM    238  C   SER    17      -8.760  -2.100 -15.134  1.00  1.00           C
+ATOM    239  O   SER    17      -9.765  -1.505 -14.746  1.00  1.00           O
+ATOM    242  H   SER    17      -8.665  -3.019 -12.217  1.00  1.00           H
+ATOM    243  HA  SER    17      -6.914  -2.986 -14.426  1.00  1.00           H
+ATOM    240  CB  SER    17      -8.494  -4.441 -14.269  1.00  1.00           C
+ATOM    241  OG  SER    17      -8.571  -4.902 -15.614  1.00  1.00           O
+ATOM    244  HB2 SER    17      -7.837  -5.099 -13.698  1.00  1.00           H
+ATOM    245  HB3 SER    17      -9.481  -4.500 -13.808  1.00  1.00           H
+ATOM    246  HG  SER    17      -7.813  -5.526 -15.807  1.00  1.00           H
+ATOM    247  N   ARG    18      -8.274  -2.025 -16.365  1.00  1.00           N
+ATOM    248  CA  ARG    18      -8.917  -1.203 -17.376  1.00  1.00           C
+ATOM    249  C   ARG    18     -10.411  -1.523 -17.449  1.00  1.00           C
+ATOM    250  O   ARG    18     -11.234  -0.623 -17.610  1.00  1.00           O
+ATOM    258  H   ARG    18      -7.456  -2.512 -16.674  1.00  1.00           H
+ATOM    259  HA  ARG    18      -8.750  -0.177 -17.048  1.00  1.00           H
+ATOM    251  CB  ARG    18      -8.287  -1.429 -18.752  1.00  1.00           C
+ATOM    252  CG  ARG    18      -9.199  -2.278 -19.640  1.00  1.00           C
+ATOM    253  CD  ARG    18      -8.549  -2.545 -20.999  1.00  1.00           C
+ATOM    254  NE  ARG    18      -7.534  -3.615 -20.873  1.00  1.00           N
+ATOM    255  CZ  ARG    18      -6.423  -3.688 -21.617  1.00  1.00           C
+ATOM    256  NH1 ARG    18      -6.176  -2.753 -22.546  1.00  1.00           N
+ATOM    257  NH2 ARG    18      -5.558  -4.695 -21.434  1.00  1.00           N
+ATOM    260  HB2 ARG    18      -8.098  -0.469 -19.232  1.00  1.00           H
+ATOM    261  HB3 ARG    18      -7.322  -1.924 -18.638  1.00  1.00           H
+ATOM    262  HG2 ARG    18      -9.416  -3.225 -19.144  1.00  1.00           H
+ATOM    263  HG3 ARG    18     -10.152  -1.768 -19.782  1.00  1.00           H
+ATOM    264  HD2 ARG    18      -9.309  -2.836 -21.724  1.00  1.00           H
+ATOM    265  HD3 ARG    18      -8.084  -1.633 -21.374  1.00  1.00           H
+ATOM    266  HE  ARG    18      -7.687  -4.328 -20.189  1.00  1.00           H
+ATOM    267 HH11 ARG    18      -6.822  -2.002 -22.683  1.00  1.00           H
+ATOM    268 HH12 ARG    18      -5.346  -2.808 -23.102  1.00  1.00           H
+ATOM    269 HH21 ARG    18      -5.741  -5.391 -20.742  1.00  1.00           H
+ATOM    270 HH22 ARG    18      -4.728  -4.749 -21.990  1.00  1.00           H
+ATOM    271  N   ASN    19     -10.716  -2.806 -17.323  1.00  1.00           N
+ATOM    272  CA  ASN    19     -12.097  -3.256 -17.371  1.00  1.00           C
+ATOM    273  C   ASN    19     -12.932  -2.433 -16.387  1.00  1.00           C
+ATOM    274  O   ASN    19     -13.847  -1.717 -16.790  1.00  1.00           O
+ATOM    279  H   ASN    19     -10.040  -3.531 -17.191  1.00  1.00           H
+ATOM    280  HA  ASN    19     -12.410  -3.110 -18.406  1.00  1.00           H
+ATOM    275  CB  ASN    19     -12.211  -4.728 -16.974  1.00  1.00           C
+ATOM    276  CG  ASN    19     -11.934  -5.642 -18.169  1.00  1.00           C
+ATOM    277  OD1 ASN    19     -12.834  -6.109 -18.849  1.00  1.00           O
+ATOM    278  ND2 ASN    19     -10.643  -5.870 -18.387  1.00  1.00           N
+ATOM    281  HB2 ASN    19     -11.506  -4.948 -16.172  1.00  1.00           H
+ATOM    282  HB3 ASN    19     -13.209  -4.926 -16.584  1.00  1.00           H
+ATOM    283 HD21 ASN    19      -9.953  -5.456 -17.792  1.00  1.00           H
+ATOM    284 HD22 ASN    19     -10.360  -6.456 -19.147  1.00  1.00           H
+ATOM    285  N   ALA    20     -12.585  -2.563 -15.116  1.00  1.00           N
+ATOM    286  CA  ALA    20     -13.290  -1.841 -14.069  1.00  1.00           C
+ATOM    287  C   ALA    20     -13.107  -0.337 -14.283  1.00  1.00           C
+ATOM    288  O   ALA    20     -14.044   0.439 -14.093  1.00  1.00           O
+ATOM    290  H   ALA    20     -11.839  -3.147 -14.796  1.00  1.00           H
+ATOM    291  HA  ALA    20     -14.349  -2.085 -14.154  1.00  1.00           H
+ATOM    289  CB  ALA    20     -12.786  -2.303 -12.701  1.00  1.00           C
+ATOM    292  HB1 ALA    20     -12.204  -3.218 -12.817  1.00  1.00           H
+ATOM    293  HB2 ALA    20     -12.157  -1.527 -12.264  1.00  1.00           H
+ATOM    294  HB3 ALA    20     -13.636  -2.494 -12.045  1.00  1.00           H
+ATOM    295  N   ALA    21     -11.894   0.030 -14.670  1.00  1.00           N
+ATOM    296  CA  ALA    21     -11.577   1.427 -14.910  1.00  1.00           C
+ATOM    297  C   ALA    21     -12.681   2.058 -15.762  1.00  1.00           C
+ATOM    298  O   ALA    21     -13.091   3.191 -15.512  1.00  1.00           O
+ATOM    300  H   ALA    21     -11.139  -0.608 -14.821  1.00  1.00           H
+ATOM    301  HA  ALA    21     -11.543   1.930 -13.944  1.00  1.00           H
+ATOM    299  CB  ALA    21     -10.199   1.532 -15.569  1.00  1.00           C
+ATOM    302  HB1 ALA    21      -9.624   0.632 -15.353  1.00  1.00           H
+ATOM    303  HB2 ALA    21     -10.320   1.636 -16.647  1.00  1.00           H
+ATOM    304  HB3 ALA    21      -9.675   2.403 -15.177  1.00  1.00           H
+ATOM    305  N   GLU    22     -13.129   1.297 -16.749  1.00  1.00           N
+ATOM    306  CA  GLU    22     -14.178   1.767 -17.640  1.00  1.00           C
+ATOM    307  C   GLU    22     -15.525   1.776 -16.915  1.00  1.00           C
+ATOM    308  O   GLU    22     -16.358   2.648 -17.157  1.00  1.00           O
+ATOM    314  H   GLU    22     -12.790   0.377 -16.945  1.00  1.00           H
+ATOM    315  HA  GLU    22     -13.894   2.785 -17.907  1.00  1.00           H
+ATOM    309  CB  GLU    22     -14.242   0.915 -18.908  1.00  1.00           C
+ATOM    310  CG  GLU    22     -13.426   1.547 -20.037  1.00  1.00           C
+ATOM    311  CD  GLU    22     -14.228   1.584 -21.339  1.00  1.00           C
+ATOM    312  OE1 GLU    22     -15.117   2.457 -21.435  1.00  1.00           O
+ATOM    313  OE2 GLU    22     -13.932   0.737 -22.211  1.00  1.00           O
+ATOM    316  HB2 GLU    22     -13.864  -0.086 -18.699  1.00  1.00           H
+ATOM    317  HB3 GLU    22     -15.280   0.804 -19.223  1.00  1.00           H
+ATOM    318  HG2 GLU    22     -13.135   2.561 -19.757  1.00  1.00           H
+ATOM    319  HG3 GLU    22     -12.506   0.982 -20.187  1.00  1.00           H
+ATOM    320  N   TYR    23     -15.696   0.797 -16.040  1.00  1.00           N
+ATOM    321  CA  TYR    23     -16.928   0.681 -15.279  1.00  1.00           C
+ATOM    322  C   TYR    23     -16.980   1.721 -14.157  1.00  1.00           C
+ATOM    323  O   TYR    23     -17.834   2.605 -14.165  1.00  1.00           O
+ATOM    332  H   TYR    23     -15.013   0.091 -15.848  1.00  1.00           H
+ATOM    333  HA  TYR    23     -17.762   0.851 -15.960  1.00  1.00           H
+ATOM    324  CB  TYR    23     -16.912  -0.718 -14.660  1.00  1.00           C
+ATOM    325  CG  TYR    23     -18.175  -1.064 -13.870  1.00  1.00           C
+ATOM    326  CD1 TYR    23     -19.419  -0.869 -14.436  1.00  1.00           C
+ATOM    327  CD2 TYR    23     -18.072  -1.573 -12.590  1.00  1.00           C
+ATOM    328  CE1 TYR    23     -20.608  -1.195 -13.693  1.00  1.00           C
+ATOM    329  CE2 TYR    23     -19.262  -1.898 -11.847  1.00  1.00           C
+ATOM    330  CZ  TYR    23     -20.471  -1.693 -12.435  1.00  1.00           C
+ATOM    331  OH  TYR    23     -21.594  -2.001 -11.733  1.00  1.00           O
+ATOM    334  HB2 TYR    23     -16.779  -1.455 -15.453  1.00  1.00           H
+ATOM    335  HB3 TYR    23     -16.048  -0.803 -13.999  1.00  1.00           H
+ATOM    336  HD1 TYR    23     -19.500  -0.469 -15.447  1.00  1.00           H
+ATOM    337  HD2 TYR    23     -17.090  -1.726 -12.143  1.00  1.00           H
+ATOM    338  HE1 TYR    23     -21.596  -1.046 -14.128  1.00  1.00           H
+ATOM    339  HE2 TYR    23     -19.194  -2.300 -10.836  1.00  1.00           H
+ATOM    340  HH  TYR    23     -21.907  -2.920 -11.973  1.00  1.00           H
+ATOM    341  N   LEU    24     -16.054   1.579 -13.220  1.00  1.00           N
+ATOM    342  CA  LEU    24     -15.982   2.495 -12.095  1.00  1.00           C
+ATOM    343  C   LEU    24     -15.936   3.932 -12.614  1.00  1.00           C
+ATOM    344  O   LEU    24     -16.400   4.855 -11.944  1.00  1.00           O
+ATOM    349  H   LEU    24     -15.363   0.857 -13.220  1.00  1.00           H
+ATOM    350  HA  LEU    24     -16.895   2.367 -11.511  1.00  1.00           H
+ATOM    345  CB  LEU    24     -14.809   2.133 -11.181  1.00  1.00           C
+ATOM    346  CG  LEU    24     -13.415   2.456 -11.723  1.00  1.00           C
+ATOM    347  CD1 LEU    24     -13.027   3.902 -11.411  1.00  1.00           C
+ATOM    348  CD2 LEU    24     -12.379   1.458 -11.199  1.00  1.00           C
+ATOM    351  HB2 LEU    24     -14.938   2.653 -10.232  1.00  1.00           H
+ATOM    352  HB3 LEU    24     -14.857   1.065 -10.968  1.00  1.00           H
+ATOM    353  HG  LEU    24     -13.437   2.355 -12.808  1.00  1.00           H
+ATOM    354 HD11 LEU    24     -13.252   4.122 -10.367  1.00  1.00           H
+ATOM    355 HD12 LEU    24     -11.960   4.039 -11.590  1.00  1.00           H
+ATOM    356 HD13 LEU    24     -13.593   4.576 -12.054  1.00  1.00           H
+ATOM    357 HD21 LEU    24     -12.890   0.591 -10.782  1.00  1.00           H
+ATOM    358 HD22 LEU    24     -11.734   1.142 -12.017  1.00  1.00           H
+ATOM    359 HD23 LEU    24     -11.778   1.934 -10.424  1.00  1.00           H
+ATOM    360  N   LEU    25     -15.374   4.080 -13.805  1.00  1.00           N
+ATOM    361  CA  LEU    25     -15.262   5.390 -14.423  1.00  1.00           C
+ATOM    362  C   LEU    25     -16.637   6.058 -14.446  1.00  1.00           C
+ATOM    363  O   LEU    25     -17.362   5.959 -15.435  1.00  1.00           O
+ATOM    368  H   LEU    25     -15.000   3.325 -14.343  1.00  1.00           H
+ATOM    369  HA  LEU    25     -14.596   5.990 -13.800  1.00  1.00           H
+ATOM    364  CB  LEU    25     -14.608   5.278 -15.802  1.00  1.00           C
+ATOM    365  CG  LEU    25     -15.010   6.344 -16.823  1.00  1.00           C
+ATOM    366  CD1 LEU    25     -14.925   7.745 -16.216  1.00  1.00           C
+ATOM    367  CD2 LEU    25     -14.177   6.221 -18.101  1.00  1.00           C
+ATOM    370  HB2 LEU    25     -13.526   5.315 -15.674  1.00  1.00           H
+ATOM    371  HB3 LEU    25     -14.847   4.298 -16.216  1.00  1.00           H
+ATOM    372  HG  LEU    25     -16.051   6.175 -17.100  1.00  1.00           H
+ATOM    373 HD11 LEU    25     -14.200   7.745 -15.402  1.00  1.00           H
+ATOM    374 HD12 LEU    25     -14.611   8.455 -16.981  1.00  1.00           H
+ATOM    375 HD13 LEU    25     -15.903   8.035 -15.831  1.00  1.00           H
+ATOM    376 HD21 LEU    25     -13.119   6.315 -17.855  1.00  1.00           H
+ATOM    377 HD22 LEU    25     -14.358   5.248 -18.560  1.00  1.00           H
+ATOM    378 HD23 LEU    25     -14.460   7.010 -18.796  1.00  1.00           H
+ATOM    379  N   SER    26     -16.956   6.724 -13.346  1.00  1.00           N
+ATOM    380  CA  SER    26     -18.232   7.408 -13.228  1.00  1.00           C
+ATOM    381  C   SER    26     -19.285   6.704 -14.088  1.00  1.00           C
+ATOM    382  O   SER    26     -19.739   5.613 -13.750  1.00  1.00           O
+ATOM    385  H   SER    26     -16.360   6.799 -12.546  1.00  1.00           H
+ATOM    386  HA  SER    26     -18.496   7.345 -12.172  1.00  1.00           H
+ATOM    383  CB  SER    26     -18.109   8.877 -13.635  1.00  1.00           C
+ATOM    384  OG  SER    26     -17.471   9.659 -12.630  1.00  1.00           O
+ATOM    387  HB2 SER    26     -17.542   8.949 -14.564  1.00  1.00           H
+ATOM    388  HB3 SER    26     -19.101   9.282 -13.837  1.00  1.00           H
+ATOM    389  HG  SER    26     -18.117  10.325 -12.254  1.00  1.00           H
+ATOM    390  N   SER    27     -19.640   7.359 -15.184  1.00  1.00           N
+ATOM    391  CA  SER    27     -20.631   6.809 -16.094  1.00  1.00           C
+ATOM    392  C   SER    27     -20.925   7.811 -17.213  1.00  1.00           C
+ATOM    393  O   SER    27     -22.058   7.909 -17.682  1.00  1.00           O
+ATOM    396  H   SER    27     -19.266   8.246 -15.452  1.00  1.00           H
+ATOM    397  HA  SER    27     -20.178   5.905 -16.501  1.00  1.00           H
+ATOM    394  CB  SER    27     -21.918   6.447 -15.354  1.00  1.00           C
+ATOM    395  OG  SER    27     -21.983   5.058 -15.043  1.00  1.00           O
+ATOM    398  HB2 SER    27     -21.984   7.027 -14.435  1.00  1.00           H
+ATOM    399  HB3 SER    27     -22.779   6.720 -15.966  1.00  1.00           H
+ATOM    400  HG  SER    27     -22.854   4.846 -14.600  1.00  1.00           H
+ATOM    401  N   GLY    28     -19.885   8.530 -17.609  1.00  1.00           N
+ATOM    402  CA  GLY    28     -20.017   9.522 -18.663  1.00  1.00           C
+ATOM    403  C   GLY    28     -20.095  10.934 -18.081  1.00  1.00           C
+ATOM    404  O   GLY    28     -21.168  11.535 -18.044  1.00  1.00           O
+ATOM    405  H   GLY    28     -18.966   8.445 -17.223  1.00  1.00           H
+ATOM    406  HA2 GLY    28     -19.169   9.451 -19.343  1.00  1.00           H
+ATOM    407  HA3 GLY    28     -20.912   9.315 -19.250  1.00  1.00           H
+ATOM    408  N   ILE    29     -18.945  11.423 -17.642  1.00  1.00           N
+ATOM    409  CA  ILE    29     -18.871  12.754 -17.064  1.00  1.00           C
+ATOM    410  C   ILE    29     -18.241  13.712 -18.078  1.00  1.00           C
+ATOM    411  O   ILE    29     -17.950  13.322 -19.207  1.00  1.00           O
+ATOM    416  H   ILE    29     -18.077  10.929 -17.677  1.00  1.00           H
+ATOM    417  HA  ILE    29     -19.892  13.083 -16.867  1.00  1.00           H
+ATOM    412  CB  ILE    29     -18.140  12.716 -15.720  1.00  1.00           C
+ATOM    413  CG1 ILE    29     -17.179  11.526 -15.653  1.00  1.00           C
+ATOM    414  CG2 ILE    29     -19.134  12.714 -14.556  1.00  1.00           C
+ATOM    415  CD1 ILE    29     -16.313  11.591 -14.393  1.00  1.00           C
+ATOM    418  HB  ILE    29     -17.542  13.620 -15.630  1.00  1.00           H
+ATOM    419 HG12 ILE    29     -17.745  10.595 -15.663  1.00  1.00           H
+ATOM    420 HG13 ILE    29     -16.540  11.521 -16.537  1.00  1.00           H
+ATOM    421 HG21 ILE    29     -20.040  13.244 -14.850  1.00  1.00           H
+ATOM    422 HG22 ILE    29     -19.384  11.685 -14.293  1.00  1.00           H
+ATOM    423 HG23 ILE    29     -18.686  13.210 -13.696  1.00  1.00           H
+ATOM    424 HD11 ILE    29     -16.870  12.086 -13.597  1.00  1.00           H
+ATOM    425 HD12 ILE    29     -16.053  10.581 -14.079  1.00  1.00           H
+ATOM    426 HD13 ILE    29     -15.404  12.153 -14.606  1.00  1.00           H
+ATOM    427  N   ASN    30     -18.049  14.947 -17.638  1.00  1.00           N
+ATOM    428  CA  ASN    30     -17.459  15.963 -18.493  1.00  1.00           C
+ATOM    429  C   ASN    30     -15.965  15.678 -18.659  1.00  1.00           C
+ATOM    430  O   ASN    30     -15.274  16.379 -19.397  1.00  1.00           O
+ATOM    435  H   ASN    30     -18.289  15.256 -16.718  1.00  1.00           H
+ATOM    436  HA  ASN    30     -18.003  15.896 -19.435  1.00  1.00           H
+ATOM    431  CB  ASN    30     -17.609  17.354 -17.878  1.00  1.00           C
+ATOM    432  CG  ASN    30     -19.082  17.695 -17.641  1.00  1.00           C
+ATOM    433  OD1 ASN    30     -19.563  17.743 -16.520  1.00  1.00           O
+ATOM    434  ND2 ASN    30     -19.769  17.925 -18.756  1.00  1.00           N
+ATOM    437  HB2 ASN    30     -17.066  17.401 -16.933  1.00  1.00           H
+ATOM    438  HB3 ASN    30     -17.162  18.099 -18.537  1.00  1.00           H
+ATOM    439 HD21 ASN    30     -19.314  17.869 -19.645  1.00  1.00           H
+ATOM    440 HD22 ASN    30     -20.741  18.156 -18.706  1.00  1.00           H
+ATOM    441  N   GLY    31     -15.510  14.648 -17.961  1.00  1.00           N
+ATOM    442  CA  GLY    31     -14.110  14.262 -18.022  1.00  1.00           C
+ATOM    443  C   GLY    31     -13.699  13.492 -16.765  1.00  1.00           C
+ATOM    444  O   GLY    31     -13.969  13.931 -15.648  1.00  1.00           O
+ATOM    445  H   GLY    31     -16.079  14.083 -17.363  1.00  1.00           H
+ATOM    446  HA2 GLY    31     -13.937  13.645 -18.904  1.00  1.00           H
+ATOM    447  HA3 GLY    31     -13.488  15.151 -18.129  1.00  1.00           H
+ATOM    448  N   SER    32     -13.052  12.358 -16.990  1.00  1.00           N
+ATOM    449  CA  SER    32     -12.600  11.523 -15.890  1.00  1.00           C
+ATOM    450  C   SER    32     -11.255  10.881 -16.238  1.00  1.00           C
+ATOM    451  O   SER    32     -11.060  10.406 -17.355  1.00  1.00           O
+ATOM    454  H   SER    32     -12.836  12.008 -17.902  1.00  1.00           H
+ATOM    455  HA  SER    32     -12.494  12.198 -15.041  1.00  1.00           H
+ATOM    452  CB  SER    32     -13.633  10.444 -15.558  1.00  1.00           C
+ATOM    453  OG  SER    32     -13.869  10.345 -14.156  1.00  1.00           O
+ATOM    456  HB2 SER    32     -14.568  10.668 -16.069  1.00  1.00           H
+ATOM    457  HB3 SER    32     -13.285   9.481 -15.935  1.00  1.00           H
+ATOM    458  HG  SER    32     -13.267   9.654 -13.755  1.00  1.00           H
+ATOM    459  N   PHE    33     -10.361  10.890 -15.260  1.00  1.00           N
+ATOM    460  CA  PHE    33      -9.039  10.316 -15.448  1.00  1.00           C
+ATOM    461  C   PHE    33      -8.647   9.444 -14.255  1.00  1.00           C
+ATOM    462  O   PHE    33      -8.346   9.957 -13.177  1.00  1.00           O
+ATOM    470  H   PHE    33     -10.527  11.280 -14.353  1.00  1.00           H
+ATOM    471  HA  PHE    33      -9.080   9.702 -16.347  1.00  1.00           H
+ATOM    463  CB  PHE    33      -8.056  11.482 -15.559  1.00  1.00           C
+ATOM    464  CG  PHE    33      -8.596  12.680 -16.343  1.00  1.00           C
+ATOM    465  CD1 PHE    33      -9.848  13.148 -16.091  1.00  1.00           C
+ATOM    466  CD2 PHE    33      -7.825  13.276 -17.291  1.00  1.00           C
+ATOM    467  CE1 PHE    33     -10.350  14.261 -16.819  1.00  1.00           C
+ATOM    468  CE2 PHE    33      -8.326  14.387 -18.019  1.00  1.00           C
+ATOM    469  CZ  PHE    33      -9.578  14.856 -17.767  1.00  1.00           C
+ATOM    472  HB2 PHE    33      -7.784  11.811 -14.555  1.00  1.00           H
+ATOM    473  HB3 PHE    33      -7.142  11.129 -16.038  1.00  1.00           H
+ATOM    474  HD1 PHE    33     -10.466  12.671 -15.331  1.00  1.00           H
+ATOM    475  HD2 PHE    33      -6.823  12.900 -17.493  1.00  1.00           H
+ATOM    476  HE1 PHE    33     -11.353  14.636 -16.617  1.00  1.00           H
+ATOM    477  HE2 PHE    33      -7.708  14.865 -18.780  1.00  1.00           H
+ATOM    478  HZ  PHE    33      -9.963  15.709 -18.326  1.00  1.00           H
+ATOM    479  N   LEU    34      -8.660   8.139 -14.486  1.00  1.00           N
+ATOM    480  CA  LEU    34      -8.308   7.191 -13.443  1.00  1.00           C
+ATOM    481  C   LEU    34      -6.991   6.503 -13.809  1.00  1.00           C
+ATOM    482  O   LEU    34      -6.858   5.946 -14.898  1.00  1.00           O
+ATOM    487  H   LEU    34      -8.905   7.729 -15.365  1.00  1.00           H
+ATOM    488  HA  LEU    34      -8.158   7.757 -12.524  1.00  1.00           H
+ATOM    483  CB  LEU    34      -9.461   6.217 -13.192  1.00  1.00           C
+ATOM    484  CG  LEU    34      -9.456   4.939 -14.036  1.00  1.00           C
+ATOM    485  CD1 LEU    34      -9.122   3.717 -13.177  1.00  1.00           C
+ATOM    486  CD2 LEU    34     -10.780   4.770 -14.784  1.00  1.00           C
+ATOM    489  HB2 LEU    34      -9.449   5.934 -12.140  1.00  1.00           H
+ATOM    490  HB3 LEU    34     -10.399   6.742 -13.372  1.00  1.00           H
+ATOM    491  HG  LEU    34      -8.672   5.029 -14.787  1.00  1.00           H
+ATOM    492 HD11 LEU    34      -8.927   4.036 -12.153  1.00  1.00           H
+ATOM    493 HD12 LEU    34      -9.963   3.025 -13.189  1.00  1.00           H
+ATOM    494 HD13 LEU    34      -8.238   3.222 -13.580  1.00  1.00           H
+ATOM    495 HD21 LEU    34     -11.519   5.459 -14.374  1.00  1.00           H
+ATOM    496 HD22 LEU    34     -10.629   4.985 -15.842  1.00  1.00           H
+ATOM    497 HD23 LEU    34     -11.134   3.747 -14.667  1.00  1.00           H
+ATOM    498  N   VAL    35      -6.049   6.563 -12.877  1.00  1.00           N
+ATOM    499  CA  VAL    35      -4.748   5.955 -13.088  1.00  1.00           C
+ATOM    500  C   VAL    35      -4.899   4.431 -13.098  1.00  1.00           C
+ATOM    501  O   VAL    35      -5.735   3.882 -12.383  1.00  1.00           O
+ATOM    505  H   VAL    35      -6.166   7.018 -11.994  1.00  1.00           H
+ATOM    506  HA  VAL    35      -4.388   6.277 -14.064  1.00  1.00           H
+ATOM    502  CB  VAL    35      -3.760   6.450 -12.029  1.00  1.00           C
+ATOM    503  CG1 VAL    35      -3.839   5.596 -10.763  1.00  1.00           C
+ATOM    504  CG2 VAL    35      -2.335   6.481 -12.582  1.00  1.00           C
+ATOM    507  HB  VAL    35      -4.039   7.470 -11.764  1.00  1.00           H
+ATOM    508 HG11 VAL    35      -4.832   5.155 -10.684  1.00  1.00           H
+ATOM    509 HG12 VAL    35      -3.092   4.804 -10.813  1.00  1.00           H
+ATOM    510 HG13 VAL    35      -3.648   6.221  -9.891  1.00  1.00           H
+ATOM    511 HG21 VAL    35      -2.366   6.425 -13.671  1.00  1.00           H
+ATOM    512 HG22 VAL    35      -1.847   7.408 -12.281  1.00  1.00           H
+ATOM    513 HG23 VAL    35      -1.774   5.633 -12.191  1.00  1.00           H
+ATOM    514  N   ARG    36      -4.074   3.793 -13.915  1.00  1.00           N
+ATOM    515  CA  ARG    36      -4.105   2.343 -14.027  1.00  1.00           C
+ATOM    516  C   ARG    36      -2.708   1.764 -13.794  1.00  1.00           C
+ATOM    517  O   ARG    36      -1.726   2.502 -13.747  1.00  1.00           O
+ATOM    525  H   ARG    36      -3.395   4.246 -14.492  1.00  1.00           H
+ATOM    526  HA  ARG    36      -4.798   2.019 -13.252  1.00  1.00           H
+ATOM    518  CB  ARG    36      -4.607   1.909 -15.405  1.00  1.00           C
+ATOM    519  CG  ARG    36      -5.414   0.612 -15.310  1.00  1.00           C
+ATOM    520  CD  ARG    36      -5.051  -0.343 -16.449  1.00  1.00           C
+ATOM    521  NE  ARG    36      -5.233  -1.745 -16.010  1.00  1.00           N
+ATOM    522  CZ  ARG    36      -5.153  -2.804 -16.827  1.00  1.00           C
+ATOM    523  NH1 ARG    36      -4.894  -2.628 -18.129  1.00  1.00           N
+ATOM    524  NH2 ARG    36      -5.334  -4.041 -16.342  1.00  1.00           N
+ATOM    527  HB2 ARG    36      -5.227   2.696 -15.835  1.00  1.00           H
+ATOM    528  HB3 ARG    36      -3.761   1.766 -16.076  1.00  1.00           H
+ATOM    529  HG2 ARG    36      -5.222   0.131 -14.351  1.00  1.00           H
+ATOM    530  HG3 ARG    36      -6.479   0.838 -15.346  1.00  1.00           H
+ATOM    531  HD2 ARG    36      -5.677  -0.141 -17.317  1.00  1.00           H
+ATOM    532  HD3 ARG    36      -4.018  -0.182 -16.755  1.00  1.00           H
+ATOM    533  HE  ARG    36      -5.428  -1.913 -15.043  1.00  1.00           H
+ATOM    534 HH11 ARG    36      -4.761  -1.706 -18.492  1.00  1.00           H
+ATOM    535 HH12 ARG    36      -4.836  -3.418 -18.739  1.00  1.00           H
+ATOM    536 HH21 ARG    36      -5.526  -4.173 -15.369  1.00  1.00           H
+ATOM    537 HH22 ARG    36      -5.274  -4.832 -16.952  1.00  1.00           H
+ATOM    538  N   GLU    37      -2.665   0.447 -13.656  1.00  1.00           N
+ATOM    539  CA  GLU    37      -1.405  -0.241 -13.429  1.00  1.00           C
+ATOM    540  C   GLU    37      -1.172  -1.293 -14.517  1.00  1.00           C
+ATOM    541  O   GLU    37      -1.945  -2.241 -14.643  1.00  1.00           O
+ATOM    547  H   GLU    37      -3.469  -0.146 -13.696  1.00  1.00           H
+ATOM    548  HA  GLU    37      -0.638   0.532 -13.492  1.00  1.00           H
+ATOM    542  CB  GLU    37      -1.369  -0.873 -12.037  1.00  1.00           C
+ATOM    543  CG  GLU    37      -0.211  -0.309 -11.209  1.00  1.00           C
+ATOM    544  CD  GLU    37       0.656  -1.435 -10.641  1.00  1.00           C
+ATOM    545  OE1 GLU    37       0.763  -2.472 -11.330  1.00  1.00           O
+ATOM    546  OE2 GLU    37       1.193  -1.232  -9.531  1.00  1.00           O
+ATOM    549  HB2 GLU    37      -2.311  -0.686 -11.523  1.00  1.00           H
+ATOM    550  HB3 GLU    37      -1.263  -1.954 -12.127  1.00  1.00           H
+ATOM    551  HG2 GLU    37       0.400   0.346 -11.831  1.00  1.00           H
+ATOM    552  HG3 GLU    37      -0.604   0.299 -10.395  1.00  1.00           H
+ATOM    553  N   SER    38      -0.103  -1.090 -15.271  1.00  1.00           N
+ATOM    554  CA  SER    38       0.241  -2.010 -16.342  1.00  1.00           C
+ATOM    555  C   SER    38       0.785  -3.315 -15.757  1.00  1.00           C
+ATOM    556  O   SER    38       1.072  -3.392 -14.563  1.00  1.00           O
+ATOM    559  H   SER    38       0.521  -0.317 -15.162  1.00  1.00           H
+ATOM    560  HA  SER    38      -0.690  -2.190 -16.879  1.00  1.00           H
+ATOM    557  CB  SER    38       1.265  -1.388 -17.295  1.00  1.00           C
+ATOM    558  OG  SER    38       1.191  -1.952 -18.600  1.00  1.00           O
+ATOM    561  HB2 SER    38       1.097  -0.312 -17.355  1.00  1.00           H
+ATOM    562  HB3 SER    38       2.267  -1.533 -16.894  1.00  1.00           H
+ATOM    563  HG  SER    38       2.107  -2.190 -18.924  1.00  1.00           H
+ATOM    564  N   GLU    39       0.912  -4.308 -16.625  1.00  1.00           N
+ATOM    565  CA  GLU    39       1.415  -5.605 -16.210  1.00  1.00           C
+ATOM    566  C   GLU    39       2.588  -6.029 -17.098  1.00  1.00           C
+ATOM    567  O   GLU    39       3.552  -6.624 -16.618  1.00  1.00           O
+ATOM    573  H   GLU    39       0.676  -4.237 -17.594  1.00  1.00           H
+ATOM    574  HA  GLU    39       1.760  -5.467 -15.184  1.00  1.00           H
+ATOM    568  CB  GLU    39       0.305  -6.658 -16.229  1.00  1.00           C
+ATOM    569  CG  GLU    39      -0.607  -6.514 -15.009  1.00  1.00           C
+ATOM    570  CD  GLU    39      -2.012  -6.074 -15.424  1.00  1.00           C
+ATOM    571  OE1 GLU    39      -2.418  -6.455 -16.543  1.00  1.00           O
+ATOM    572  OE2 GLU    39      -2.649  -5.366 -14.614  1.00  1.00           O
+ATOM    575  HB2 GLU    39      -0.282  -6.554 -17.141  1.00  1.00           H
+ATOM    576  HB3 GLU    39       0.745  -7.656 -16.243  1.00  1.00           H
+ATOM    577  HG2 GLU    39      -0.661  -7.464 -14.477  1.00  1.00           H
+ATOM    578  HG3 GLU    39      -0.183  -5.785 -14.317  1.00  1.00           H
+ATOM    579  N   SER    40       2.467  -5.705 -18.376  1.00  1.00           N
+ATOM    580  CA  SER    40       3.504  -6.044 -19.336  1.00  1.00           C
+ATOM    581  C   SER    40       4.882  -5.928 -18.681  1.00  1.00           C
+ATOM    582  O   SER    40       5.778  -6.719 -18.968  1.00  1.00           O
+ATOM    585  H   SER    40       1.680  -5.220 -18.759  1.00  1.00           H
+ATOM    586  HA  SER    40       3.303  -7.075 -19.625  1.00  1.00           H
+ATOM    583  CB  SER    40       3.427  -5.145 -20.572  1.00  1.00           C
+ATOM    584  OG  SER    40       3.519  -5.891 -21.782  1.00  1.00           O
+ATOM    587  HB2 SER    40       2.488  -4.590 -20.558  1.00  1.00           H
+ATOM    588  HB3 SER    40       4.231  -4.410 -20.536  1.00  1.00           H
+ATOM    589  HG  SER    40       3.782  -6.835 -21.582  1.00  1.00           H
+ATOM    590  N   SER    41       5.006  -4.936 -17.811  1.00  1.00           N
+ATOM    591  CA  SER    41       6.260  -4.707 -17.113  1.00  1.00           C
+ATOM    592  C   SER    41       6.091  -5.012 -15.624  1.00  1.00           C
+ATOM    593  O   SER    41       5.052  -4.712 -15.037  1.00  1.00           O
+ATOM    596  H   SER    41       4.272  -4.296 -17.583  1.00  1.00           H
+ATOM    597  HA  SER    41       6.973  -5.394 -17.567  1.00  1.00           H
+ATOM    594  CB  SER    41       6.744  -3.269 -17.309  1.00  1.00           C
+ATOM    595  OG  SER    41       7.947  -3.210 -18.071  1.00  1.00           O
+ATOM    598  HB2 SER    41       5.969  -2.690 -17.810  1.00  1.00           H
+ATOM    599  HB3 SER    41       6.908  -2.806 -16.335  1.00  1.00           H
+ATOM    600  HG  SER    41       7.825  -3.689 -18.939  1.00  1.00           H
+ATOM    601  N   PRO    42       7.158  -5.621 -15.038  1.00  1.00           N
+ATOM    602  CA  PRO    42       7.139  -5.969 -13.627  1.00  1.00           C
+ATOM    603  C   PRO    42       7.322  -4.728 -12.752  1.00  1.00           C
+ATOM    604  O   PRO    42       8.263  -4.653 -11.965  1.00  1.00           O
+ATOM    608  HA  PRO    42       6.249  -6.351 -13.377  1.00  1.00           H
+ATOM    605  CB  PRO    42       8.255  -6.985 -13.458  1.00  1.00           C
+ATOM    606  CG  PRO    42       9.157  -6.821 -14.672  1.00  1.00           C
+ATOM    607  CD  PRO    42       8.405  -5.990 -15.699  1.00  1.00           C
+ATOM    609  HB2 PRO    42       8.809  -6.808 -12.535  1.00  1.00           H
+ATOM    610  HB3 PRO    42       7.858  -7.997 -13.402  1.00  1.00           H
+ATOM    611  HG2 PRO    42      10.089  -6.331 -14.392  1.00  1.00           H
+ATOM    612  HG3 PRO    42       9.420  -7.794 -15.087  1.00  1.00           H
+ATOM    613  HD2 PRO    42       8.977  -5.108 -15.989  1.00  1.00           H
+ATOM    614  HD3 PRO    42       8.217  -6.560 -16.608  1.00  1.00           H
+ATOM    615  N   GLY    43       6.406  -3.784 -12.920  1.00  1.00           N
+ATOM    616  CA  GLY    43       6.456  -2.549 -12.156  1.00  1.00           C
+ATOM    617  C   GLY    43       6.229  -1.336 -13.058  1.00  1.00           C
+ATOM    618  O   GLY    43       7.075  -0.446 -13.132  1.00  1.00           O
+ATOM    619  H   GLY    43       5.644  -3.853 -13.562  1.00  1.00           H
+ATOM    620  HA2 GLY    43       5.698  -2.572 -11.373  1.00  1.00           H
+ATOM    621  HA3 GLY    43       7.422  -2.463 -11.659  1.00  1.00           H
+ATOM    622  N   GLN    44       5.083  -1.339 -13.723  1.00  1.00           N
+ATOM    623  CA  GLN    44       4.735  -0.249 -14.620  1.00  1.00           C
+ATOM    624  C   GLN    44       3.297   0.210 -14.362  1.00  1.00           C
+ATOM    625  O   GLN    44       2.473  -0.562 -13.871  1.00  1.00           O
+ATOM    631  H   GLN    44       4.400  -2.068 -13.659  1.00  1.00           H
+ATOM    632  HA  GLN    44       5.428   0.556 -14.379  1.00  1.00           H
+ATOM    626  CB  GLN    44       4.927  -0.659 -16.082  1.00  1.00           C
+ATOM    627  CG  GLN    44       5.921   0.269 -16.783  1.00  1.00           C
+ATOM    628  CD  GLN    44       5.236   1.066 -17.896  1.00  1.00           C
+ATOM    629  OE1 GLN    44       4.088   1.465 -17.791  1.00  1.00           O
+ATOM    630  NE2 GLN    44       6.003   1.275 -18.961  1.00  1.00           N
+ATOM    633  HB2 GLN    44       5.284  -1.687 -16.131  1.00  1.00           H
+ATOM    634  HB3 GLN    44       3.968  -0.629 -16.600  1.00  1.00           H
+ATOM    635  HG2 GLN    44       6.360   0.953 -16.058  1.00  1.00           H
+ATOM    636  HG3 GLN    44       6.738  -0.319 -17.202  1.00  1.00           H
+ATOM    637 HE21 GLN    44       6.936   0.920 -18.982  1.00  1.00           H
+ATOM    638 HE22 GLN    44       5.644   1.787 -19.742  1.00  1.00           H
+ATOM    639  N   ARG    45       3.039   1.462 -14.708  1.00  1.00           N
+ATOM    640  CA  ARG    45       1.717   2.033 -14.520  1.00  1.00           C
+ATOM    641  C   ARG    45       1.152   2.514 -15.859  1.00  1.00           C
+ATOM    642  O   ARG    45       1.876   2.589 -16.851  1.00  1.00           O
+ATOM    650  H   ARG    45       3.714   2.082 -15.107  1.00  1.00           H
+ATOM    651  HA  ARG    45       1.117   1.218 -14.113  1.00  1.00           H
+ATOM    643  CB  ARG    45       1.755   3.206 -13.539  1.00  1.00           C
+ATOM    644  CG  ARG    45       1.264   2.780 -12.154  1.00  1.00           C
+ATOM    645  CD  ARG    45       2.279   1.860 -11.471  1.00  1.00           C
+ATOM    646  NE  ARG    45       1.829   1.542 -10.098  1.00  1.00           N
+ATOM    647  CZ  ARG    45       1.791   2.430  -9.094  1.00  1.00           C
+ATOM    648  NH1 ARG    45       2.176   3.696  -9.306  1.00  1.00           N
+ATOM    649  NH2 ARG    45       1.367   2.052  -7.880  1.00  1.00           N
+ATOM    652  HB2 ARG    45       2.774   3.590 -13.466  1.00  1.00           H
+ATOM    653  HB3 ARG    45       1.136   4.020 -13.915  1.00  1.00           H
+ATOM    654  HG2 ARG    45       1.094   3.663 -11.538  1.00  1.00           H
+ATOM    655  HG3 ARG    45       0.307   2.266 -12.247  1.00  1.00           H
+ATOM    656  HD2 ARG    45       2.394   0.942 -12.047  1.00  1.00           H
+ATOM    657  HD3 ARG    45       3.256   2.343 -11.439  1.00  1.00           H
+ATOM    658  HE  ARG    45       1.534   0.606  -9.906  1.00  1.00           H
+ATOM    659 HH11 ARG    45       2.492   3.978 -10.212  1.00  1.00           H
+ATOM    660 HH12 ARG    45       2.149   4.358  -8.558  1.00  1.00           H
+ATOM    661 HH21 ARG    45       1.080   1.107  -7.723  1.00  1.00           H
+ATOM    662 HH22 ARG    45       1.340   2.715  -7.131  1.00  1.00           H
+ATOM    663  N   SER    46      -0.135   2.830 -15.843  1.00  1.00           N
+ATOM    664  CA  SER    46      -0.804   3.303 -17.042  1.00  1.00           C
+ATOM    665  C   SER    46      -1.674   4.518 -16.712  1.00  1.00           C
+ATOM    666  O   SER    46      -1.709   4.968 -15.569  1.00  1.00           O
+ATOM    669  H   SER    46      -0.715   2.768 -15.031  1.00  1.00           H
+ATOM    670  HA  SER    46      -0.005   3.580 -17.730  1.00  1.00           H
+ATOM    667  CB  SER    46      -1.654   2.196 -17.671  1.00  1.00           C
+ATOM    668  OG  SER    46      -1.831   1.093 -16.788  1.00  1.00           O
+ATOM    671  HB2 SER    46      -2.627   2.600 -17.948  1.00  1.00           H
+ATOM    672  HB3 SER    46      -1.178   1.852 -18.590  1.00  1.00           H
+ATOM    673  HG  SER    46      -1.581   1.357 -15.856  1.00  1.00           H
+ATOM    674  N   ILE    47      -2.354   5.014 -17.736  1.00  1.00           N
+ATOM    675  CA  ILE    47      -3.221   6.168 -17.569  1.00  1.00           C
+ATOM    676  C   ILE    47      -4.569   5.888 -18.235  1.00  1.00           C
+ATOM    677  O   ILE    47      -4.618   5.368 -19.349  1.00  1.00           O
+ATOM    682  H   ILE    47      -2.319   4.642 -18.663  1.00  1.00           H
+ATOM    683  HA  ILE    47      -3.386   6.301 -16.499  1.00  1.00           H
+ATOM    678  CB  ILE    47      -2.532   7.434 -18.082  1.00  1.00           C
+ATOM    679  CG1 ILE    47      -2.619   8.562 -17.050  1.00  1.00           C
+ATOM    680  CG2 ILE    47      -3.100   7.855 -19.439  1.00  1.00           C
+ATOM    681  CD1 ILE    47      -1.222   9.018 -16.620  1.00  1.00           C
+ATOM    684  HB  ILE    47      -1.476   7.212 -18.229  1.00  1.00           H
+ATOM    685 HG12 ILE    47      -3.167   9.403 -17.471  1.00  1.00           H
+ATOM    686 HG13 ILE    47      -3.178   8.220 -16.179  1.00  1.00           H
+ATOM    687 HG21 ILE    47      -4.181   7.723 -19.438  1.00  1.00           H
+ATOM    688 HG22 ILE    47      -2.861   8.902 -19.623  1.00  1.00           H
+ATOM    689 HG23 ILE    47      -2.659   7.238 -20.223  1.00  1.00           H
+ATOM    690 HD11 ILE    47      -0.495   8.728 -17.377  1.00  1.00           H
+ATOM    691 HD12 ILE    47      -1.215  10.103 -16.506  1.00  1.00           H
+ATOM    692 HD13 ILE    47      -0.965   8.550 -15.669  1.00  1.00           H
+ATOM    693  N   SER    48      -5.630   6.245 -17.526  1.00  1.00           N
+ATOM    694  CA  SER    48      -6.975   6.039 -18.035  1.00  1.00           C
+ATOM    695  C   SER    48      -7.753   7.356 -18.005  1.00  1.00           C
+ATOM    696  O   SER    48      -8.246   7.766 -16.956  1.00  1.00           O
+ATOM    699  H   SER    48      -5.581   6.668 -16.621  1.00  1.00           H
+ATOM    700  HA  SER    48      -6.845   5.694 -19.060  1.00  1.00           H
+ATOM    697  CB  SER    48      -7.712   4.969 -17.226  1.00  1.00           C
+ATOM    698  OG  SER    48      -8.253   3.948 -18.061  1.00  1.00           O
+ATOM    701  HB2 SER    48      -7.025   4.523 -16.506  1.00  1.00           H
+ATOM    702  HB3 SER    48      -8.514   5.434 -16.655  1.00  1.00           H
+ATOM    703  HG  SER    48      -8.860   4.352 -18.746  1.00  1.00           H
+ATOM    704  N   LEU    49      -7.840   7.982 -19.169  1.00  1.00           N
+ATOM    705  CA  LEU    49      -8.551   9.243 -19.291  1.00  1.00           C
+ATOM    706  C   LEU    49      -9.935   8.989 -19.886  1.00  1.00           C
+ATOM    707  O   LEU    49     -10.097   8.121 -20.743  1.00  1.00           O
+ATOM    712  H   LEU    49      -7.436   7.641 -20.019  1.00  1.00           H
+ATOM    713  HA  LEU    49      -8.673   9.646 -18.286  1.00  1.00           H
+ATOM    708  CB  LEU    49      -7.716  10.253 -20.083  1.00  1.00           C
+ATOM    709  CG  LEU    49      -6.215   9.969 -20.161  1.00  1.00           C
+ATOM    710  CD1 LEU    49      -5.457  11.177 -20.713  1.00  1.00           C
+ATOM    711  CD2 LEU    49      -5.671   9.522 -18.803  1.00  1.00           C
+ATOM    714  HB2 LEU    49      -8.111  10.302 -21.097  1.00  1.00           H
+ATOM    715  HB3 LEU    49      -7.858  11.239 -19.638  1.00  1.00           H
+ATOM    716  HG  LEU    49      -6.059   9.146 -20.858  1.00  1.00           H
+ATOM    717 HD11 LEU    49      -5.977  12.093 -20.431  1.00  1.00           H
+ATOM    718 HD12 LEU    49      -4.447  11.192 -20.304  1.00  1.00           H
+ATOM    719 HD13 LEU    49      -5.406  11.110 -21.800  1.00  1.00           H
+ATOM    720 HD21 LEU    49      -6.236  10.005 -18.008  1.00  1.00           H
+ATOM    721 HD22 LEU    49      -5.766   8.439 -18.713  1.00  1.00           H
+ATOM    722 HD23 LEU    49      -4.619   9.801 -18.724  1.00  1.00           H
+ATOM    723  N   ARG    50     -10.900   9.761 -19.409  1.00  1.00           N
+ATOM    724  CA  ARG    50     -12.268   9.630 -19.883  1.00  1.00           C
+ATOM    725  C   ARG    50     -12.673  10.868 -20.684  1.00  1.00           C
+ATOM    726  O   ARG    50     -12.437  11.996 -20.253  1.00  1.00           O
+ATOM    734  H   ARG    50     -10.761  10.465 -18.712  1.00  1.00           H
+ATOM    735  HA  ARG    50     -12.260   8.740 -20.512  1.00  1.00           H
+ATOM    727  CB  ARG    50     -13.241   9.445 -18.716  1.00  1.00           C
+ATOM    728  CG  ARG    50     -14.672   9.778 -19.139  1.00  1.00           C
+ATOM    729  CD  ARG    50     -15.168   8.804 -20.209  1.00  1.00           C
+ATOM    730  NE  ARG    50     -16.303   8.010 -19.686  1.00  1.00           N
+ATOM    731  CZ  ARG    50     -17.033   7.164 -20.425  1.00  1.00           C
+ATOM    732  NH1 ARG    50     -16.752   6.998 -21.726  1.00  1.00           N
+ATOM    733  NH2 ARG    50     -18.044   6.486 -19.867  1.00  1.00           N
+ATOM    736  HB2 ARG    50     -13.193   8.418 -18.356  1.00  1.00           H
+ATOM    737  HB3 ARG    50     -12.944  10.087 -17.886  1.00  1.00           H
+ATOM    738  HG2 ARG    50     -15.331   9.735 -18.271  1.00  1.00           H
+ATOM    739  HG3 ARG    50     -14.716  10.797 -19.521  1.00  1.00           H
+ATOM    740  HD2 ARG    50     -15.479   9.354 -21.098  1.00  1.00           H
+ATOM    741  HD3 ARG    50     -14.358   8.140 -20.513  1.00  1.00           H
+ATOM    742  HE  ARG    50     -16.539   8.111 -18.720  1.00  1.00           H
+ATOM    743 HH11 ARG    50     -15.997   7.505 -22.144  1.00  1.00           H
+ATOM    744 HH12 ARG    50     -17.297   6.367 -22.277  1.00  1.00           H
+ATOM    745 HH21 ARG    50     -18.253   6.611 -18.896  1.00  1.00           H
+ATOM    746 HH22 ARG    50     -18.588   5.855 -20.419  1.00  1.00           H
+ATOM    747  N   TYR    51     -13.275  10.617 -21.838  1.00  1.00           N
+ATOM    748  CA  TYR    51     -13.715  11.697 -22.704  1.00  1.00           C
+ATOM    749  C   TYR    51     -15.242  11.801 -22.719  1.00  1.00           C
+ATOM    750  O   TYR    51     -15.894  11.565 -21.704  1.00  1.00           O
+ATOM    759  H   TYR    51     -13.464   9.697 -22.181  1.00  1.00           H
+ATOM    760  HA  TYR    51     -13.299  12.628 -22.317  1.00  1.00           H
+ATOM    751  CB  TYR    51     -13.226  11.338 -24.107  1.00  1.00           C
+ATOM    752  CG  TYR    51     -12.342  12.409 -24.751  1.00  1.00           C
+ATOM    753  CD1 TYR    51     -12.908  13.572 -25.233  1.00  1.00           C
+ATOM    754  CD2 TYR    51     -10.980  12.211 -24.850  1.00  1.00           C
+ATOM    755  CE1 TYR    51     -12.077  14.579 -25.839  1.00  1.00           C
+ATOM    756  CE2 TYR    51     -10.148  13.220 -25.457  1.00  1.00           C
+ATOM    757  CZ  TYR    51     -10.737  14.353 -25.921  1.00  1.00           C
+ATOM    758  OH  TYR    51      -9.952  15.305 -26.493  1.00  1.00           O
+ATOM    761  HB2 TYR    51     -12.668  10.402 -24.059  1.00  1.00           H
+ATOM    762  HB3 TYR    51     -14.089  11.161 -24.748  1.00  1.00           H
+ATOM    763  HD1 TYR    51     -13.984  13.728 -25.155  1.00  1.00           H
+ATOM    764  HD2 TYR    51     -10.534  11.293 -24.470  1.00  1.00           H
+ATOM    765  HE1 TYR    51     -12.509  15.502 -26.224  1.00  1.00           H
+ATOM    766  HE2 TYR    51      -9.071  13.076 -25.540  1.00  1.00           H
+ATOM    767  HH  TYR    51     -10.457  16.165 -26.567  1.00  1.00           H
+ATOM    768  N   GLU    52     -15.767  12.154 -23.883  1.00  1.00           N
+ATOM    769  CA  GLU    52     -17.204  12.291 -24.046  1.00  1.00           C
+ATOM    770  C   GLU    52     -17.901  10.962 -23.747  1.00  1.00           C
+ATOM    771  O   GLU    52     -18.431  10.766 -22.654  1.00  1.00           O
+ATOM    777  H   GLU    52     -15.229  12.344 -24.704  1.00  1.00           H
+ATOM    778  HA  GLU    52     -17.508  13.041 -23.314  1.00  1.00           H
+ATOM    772  CB  GLU    52     -17.554  12.790 -25.449  1.00  1.00           C
+ATOM    773  CG  GLU    52     -16.581  12.228 -26.488  1.00  1.00           C
+ATOM    774  CD  GLU    52     -17.324  11.794 -27.753  1.00  1.00           C
+ATOM    775  OE1 GLU    52     -18.242  12.539 -28.157  1.00  1.00           O
+ATOM    776  OE2 GLU    52     -16.953  10.726 -28.289  1.00  1.00           O
+ATOM    779  HB2 GLU    52     -18.572  12.495 -25.700  1.00  1.00           H
+ATOM    780  HB3 GLU    52     -17.523  13.880 -25.469  1.00  1.00           H
+ATOM    781  HG2 GLU    52     -15.836  12.983 -26.740  1.00  1.00           H
+ATOM    782  HG3 GLU    52     -16.044  11.379 -26.066  1.00  1.00           H
+ATOM    783  N   GLY    53     -17.878  10.083 -24.738  1.00  1.00           N
+ATOM    784  CA  GLY    53     -18.501   8.778 -24.595  1.00  1.00           C
+ATOM    785  C   GLY    53     -17.514   7.660 -24.932  1.00  1.00           C
+ATOM    786  O   GLY    53     -17.886   6.662 -25.550  1.00  1.00           O
+ATOM    787  H   GLY    53     -17.445  10.250 -25.623  1.00  1.00           H
+ATOM    788  HA2 GLY    53     -18.863   8.654 -23.575  1.00  1.00           H
+ATOM    789  HA3 GLY    53     -19.369   8.712 -25.252  1.00  1.00           H
+ATOM    790  N   ARG    54     -16.274   7.862 -24.512  1.00  1.00           N
+ATOM    791  CA  ARG    54     -15.230   6.882 -24.762  1.00  1.00           C
+ATOM    792  C   ARG    54     -14.164   6.951 -23.666  1.00  1.00           C
+ATOM    793  O   ARG    54     -14.116   7.914 -22.901  1.00  1.00           O
+ATOM    801  H   ARG    54     -15.980   8.675 -24.011  1.00  1.00           H
+ATOM    802  HA  ARG    54     -15.742   5.920 -24.750  1.00  1.00           H
+ATOM    794  CB  ARG    54     -14.571   7.114 -26.122  1.00  1.00           C
+ATOM    795  CG  ARG    54     -14.519   5.819 -26.936  1.00  1.00           C
+ATOM    796  CD  ARG    54     -15.783   5.654 -27.782  1.00  1.00           C
+ATOM    797  NE  ARG    54     -16.047   4.218 -28.022  1.00  1.00           N
+ATOM    798  CZ  ARG    54     -16.774   3.441 -27.208  1.00  1.00           C
+ATOM    799  NH1 ARG    54     -17.314   3.957 -26.095  1.00  1.00           N
+ATOM    800  NH2 ARG    54     -16.960   2.147 -27.506  1.00  1.00           N
+ATOM    803  HB2 ARG    54     -15.125   7.873 -26.674  1.00  1.00           H
+ATOM    804  HB3 ARG    54     -13.560   7.499 -25.980  1.00  1.00           H
+ATOM    805  HG2 ARG    54     -13.642   5.827 -27.582  1.00  1.00           H
+ATOM    806  HG3 ARG    54     -14.413   4.967 -26.264  1.00  1.00           H
+ATOM    807  HD2 ARG    54     -16.634   6.108 -27.274  1.00  1.00           H
+ATOM    808  HD3 ARG    54     -15.664   6.175 -28.732  1.00  1.00           H
+ATOM    809  HE  ARG    54     -15.658   3.801 -28.845  1.00  1.00           H
+ATOM    810 HH11 ARG    54     -17.174   4.921 -25.873  1.00  1.00           H
+ATOM    811 HH12 ARG    54     -17.856   3.377 -25.487  1.00  1.00           H
+ATOM    812 HH21 ARG    54     -16.557   1.762 -28.336  1.00  1.00           H
+ATOM    813 HH22 ARG    54     -17.503   1.568 -26.898  1.00  1.00           H
+ATOM    814  N   VAL    55     -13.333   5.921 -23.626  1.00  1.00           N
+ATOM    815  CA  VAL    55     -12.270   5.853 -22.638  1.00  1.00           C
+ATOM    816  C   VAL    55     -10.949   5.529 -23.337  1.00  1.00           C
+ATOM    817  O   VAL    55     -10.935   4.843 -24.358  1.00  1.00           O
+ATOM    821  H   VAL    55     -13.379   5.142 -24.252  1.00  1.00           H
+ATOM    822  HA  VAL    55     -12.190   6.836 -22.173  1.00  1.00           H
+ATOM    818  CB  VAL    55     -12.633   4.842 -21.548  1.00  1.00           C
+ATOM    819  CG1 VAL    55     -11.627   4.892 -20.398  1.00  1.00           C
+ATOM    820  CG2 VAL    55     -14.058   5.071 -21.039  1.00  1.00           C
+ATOM    823  HB  VAL    55     -12.591   3.845 -21.988  1.00  1.00           H
+ATOM    824 HG11 VAL    55     -10.913   5.697 -20.573  1.00  1.00           H
+ATOM    825 HG12 VAL    55     -12.153   5.071 -19.460  1.00  1.00           H
+ATOM    826 HG13 VAL    55     -11.095   3.941 -20.339  1.00  1.00           H
+ATOM    827 HG21 VAL    55     -14.745   5.099 -21.886  1.00  1.00           H
+ATOM    828 HG22 VAL    55     -14.339   4.259 -20.369  1.00  1.00           H
+ATOM    829 HG23 VAL    55     -14.104   6.018 -20.503  1.00  1.00           H
+ATOM    830  N   TYR    56      -9.870   6.038 -22.761  1.00  1.00           N
+ATOM    831  CA  TYR    56      -8.547   5.813 -23.316  1.00  1.00           C
+ATOM    832  C   TYR    56      -7.622   5.166 -22.283  1.00  1.00           C
+ATOM    833  O   TYR    56      -7.529   5.633 -21.150  1.00  1.00           O
+ATOM    842  H   TYR    56      -9.891   6.595 -21.931  1.00  1.00           H
+ATOM    843  HA  TYR    56      -8.650   5.143 -24.170  1.00  1.00           H
+ATOM    834  CB  TYR    56      -8.001   7.194 -23.678  1.00  1.00           C
+ATOM    835  CG  TYR    56      -8.576   7.772 -24.973  1.00  1.00           C
+ATOM    836  CD1 TYR    56      -8.588   7.008 -26.123  1.00  1.00           C
+ATOM    837  CD2 TYR    56      -9.083   9.054 -24.991  1.00  1.00           C
+ATOM    838  CE1 TYR    56      -9.128   7.551 -27.342  1.00  1.00           C
+ATOM    839  CE2 TYR    56      -9.625   9.597 -26.209  1.00  1.00           C
+ATOM    840  CZ  TYR    56      -9.621   8.819 -27.325  1.00  1.00           C
+ATOM    841  OH  TYR    56     -10.133   9.333 -28.476  1.00  1.00           O
+ATOM    844  HB2 TYR    56      -8.211   7.883 -22.860  1.00  1.00           H
+ATOM    845  HB3 TYR    56      -6.916   7.133 -23.771  1.00  1.00           H
+ATOM    846  HD1 TYR    56      -8.186   5.995 -26.109  1.00  1.00           H
+ATOM    847  HD2 TYR    56      -9.074   9.657 -24.083  1.00  1.00           H
+ATOM    848  HE1 TYR    56      -9.143   6.959 -28.258  1.00  1.00           H
+ATOM    849  HE2 TYR    56     -10.030  10.609 -26.237  1.00  1.00           H
+ATOM    850  HH  TYR    56     -10.330   8.594 -29.121  1.00  1.00           H
+ATOM    851  N   HIS    57      -6.962   4.100 -22.712  1.00  1.00           N
+ATOM    852  CA  HIS    57      -6.047   3.384 -21.838  1.00  1.00           C
+ATOM    853  C   HIS    57      -4.634   3.439 -22.420  1.00  1.00           C
+ATOM    854  O   HIS    57      -4.240   2.563 -23.189  1.00  1.00           O
+ATOM    861  H   HIS    57      -7.044   3.726 -23.635  1.00  1.00           H
+ATOM    862  HA  HIS    57      -6.058   3.906 -20.881  1.00  1.00           H
+ATOM    855  CB  HIS    57      -6.535   1.954 -21.597  1.00  1.00           C
+ATOM    856  CG  HIS    57      -7.546   1.830 -20.482  1.00  1.00           C
+ATOM    857  ND1 HIS    57      -8.910   1.776 -20.710  1.00  1.00           N
+ATOM    858  CD2 HIS    57      -7.377   1.750 -19.131  1.00  1.00           C
+ATOM    859  CE1 HIS    57      -9.525   1.668 -19.541  1.00  1.00           C
+ATOM    860  NE2 HIS    57      -8.574   1.652 -18.565  1.00  1.00           N
+ATOM    863  HB2 HIS    57      -6.974   1.571 -22.517  1.00  1.00           H
+ATOM    864  HB3 HIS    57      -5.676   1.323 -21.367  1.00  1.00           H
+ATOM    865  HD1 HIS    57      -9.355   1.812 -21.605  1.00  1.00           H
+ATOM    866  HD2 HIS    57      -6.422   1.762 -18.606  1.00  1.00           H
+ATOM    867  HE1 HIS    57     -10.603   1.603 -19.388  1.00  1.00           H
+ATOM    868  N   TYR    58      -3.908   4.477 -22.030  1.00  1.00           N
+ATOM    869  CA  TYR    58      -2.545   4.656 -22.504  1.00  1.00           C
+ATOM    870  C   TYR    58      -1.550   4.600 -21.343  1.00  1.00           C
+ATOM    871  O   TYR    58      -1.662   5.362 -20.386  1.00  1.00           O
+ATOM    880  H   TYR    58      -4.234   5.184 -21.405  1.00  1.00           H
+ATOM    881  HA  TYR    58      -2.323   3.852 -23.203  1.00  1.00           H
+ATOM    872  CB  TYR    58      -2.498   6.051 -23.132  1.00  1.00           C
+ATOM    873  CG  TYR    58      -2.438   6.043 -24.660  1.00  1.00           C
+ATOM    874  CD1 TYR    58      -3.399   5.368 -25.384  1.00  1.00           C
+ATOM    875  CD2 TYR    58      -1.424   6.712 -25.314  1.00  1.00           C
+ATOM    876  CE1 TYR    58      -3.342   5.360 -26.823  1.00  1.00           C
+ATOM    877  CE2 TYR    58      -1.367   6.704 -26.753  1.00  1.00           C
+ATOM    878  CZ  TYR    58      -2.330   6.029 -27.436  1.00  1.00           C
+ATOM    879  OH  TYR    58      -2.276   6.022 -28.796  1.00  1.00           O
+ATOM    882  HB2 TYR    58      -3.380   6.611 -22.816  1.00  1.00           H
+ATOM    883  HB3 TYR    58      -1.628   6.582 -22.747  1.00  1.00           H
+ATOM    884  HD1 TYR    58      -4.199   4.839 -24.868  1.00  1.00           H
+ATOM    885  HD2 TYR    58      -0.665   7.246 -24.742  1.00  1.00           H
+ATOM    886  HE1 TYR    58      -4.095   4.830 -27.408  1.00  1.00           H
+ATOM    887  HE2 TYR    58      -0.571   7.228 -27.283  1.00  1.00           H
+ATOM    888  HH  TYR    58      -3.073   6.495 -29.171  1.00  1.00           H
+ATOM    889  N   ARG    59      -0.597   3.686 -21.467  1.00  1.00           N
+ATOM    890  CA  ARG    59       0.417   3.518 -20.440  1.00  1.00           C
+ATOM    891  C   ARG    59       1.090   4.859 -20.136  1.00  1.00           C
+ATOM    892  O   ARG    59       0.913   5.828 -20.873  1.00  1.00           O
+ATOM    900  H   ARG    59      -0.513   3.069 -22.249  1.00  1.00           H
+ATOM    901  HA  ARG    59      -0.124   3.144 -19.572  1.00  1.00           H
+ATOM    893  CB  ARG    59       1.481   2.510 -20.878  1.00  1.00           C
+ATOM    894  CG  ARG    59       1.913   2.759 -22.324  1.00  1.00           C
+ATOM    895  CD  ARG    59       1.815   1.478 -23.154  1.00  1.00           C
+ATOM    896  NE  ARG    59       2.739   1.551 -24.309  1.00  1.00           N
+ATOM    897  CZ  ARG    59       2.487   2.237 -25.430  1.00  1.00           C
+ATOM    898  NH1 ARG    59       1.339   2.915 -25.558  1.00  1.00           N
+ATOM    899  NH2 ARG    59       3.386   2.246 -26.426  1.00  1.00           N
+ATOM    902  HB2 ARG    59       2.346   2.579 -20.219  1.00  1.00           H
+ATOM    903  HB3 ARG    59       1.089   1.496 -20.781  1.00  1.00           H
+ATOM    904  HG2 ARG    59       1.285   3.533 -22.766  1.00  1.00           H
+ATOM    905  HG3 ARG    59       2.938   3.130 -22.342  1.00  1.00           H
+ATOM    906  HD2 ARG    59       2.059   0.614 -22.536  1.00  1.00           H
+ATOM    907  HD3 ARG    59       0.793   1.339 -23.506  1.00  1.00           H
+ATOM    908  HE  ARG    59       3.606   1.056 -24.245  1.00  1.00           H
+ATOM    909 HH11 ARG    59       0.669   2.907 -24.815  1.00  1.00           H
+ATOM    910 HH12 ARG    59       1.150   3.428 -26.397  1.00  1.00           H
+ATOM    911 HH21 ARG    59       4.243   1.742 -26.331  1.00  1.00           H
+ATOM    912 HH22 ARG    59       3.197   2.760 -27.264  1.00  1.00           H
+ATOM    913  N   ILE    60       1.847   4.870 -19.049  1.00  1.00           N
+ATOM    914  CA  ILE    60       2.547   6.076 -18.638  1.00  1.00           C
+ATOM    915  C   ILE    60       3.679   6.365 -19.625  1.00  1.00           C
+ATOM    916  O   ILE    60       3.439   6.521 -20.821  1.00  1.00           O
+ATOM    921  H   ILE    60       1.985   4.078 -18.455  1.00  1.00           H
+ATOM    922  HA  ILE    60       1.834   6.898 -18.679  1.00  1.00           H
+ATOM    917  CB  ILE    60       3.013   5.955 -17.186  1.00  1.00           C
+ATOM    918  CG1 ILE    60       1.870   5.494 -16.278  1.00  1.00           C
+ATOM    919  CG2 ILE    60       3.638   7.264 -16.699  1.00  1.00           C
+ATOM    920  CD1 ILE    60       1.015   6.681 -15.829  1.00  1.00           C
+ATOM    923  HB  ILE    60       3.789   5.190 -17.138  1.00  1.00           H
+ATOM    924 HG12 ILE    60       1.247   4.774 -16.810  1.00  1.00           H
+ATOM    925 HG13 ILE    60       2.276   4.983 -15.406  1.00  1.00           H
+ATOM    926 HG21 ILE    60       3.551   8.020 -17.480  1.00  1.00           H
+ATOM    927 HG22 ILE    60       3.119   7.605 -15.804  1.00  1.00           H
+ATOM    928 HG23 ILE    60       4.691   7.100 -16.469  1.00  1.00           H
+ATOM    929 HD11 ILE    60       1.008   7.440 -16.610  1.00  1.00           H
+ATOM    930 HD12 ILE    60      -0.004   6.344 -15.639  1.00  1.00           H
+ATOM    931 HD13 ILE    60       1.434   7.104 -14.915  1.00  1.00           H
+ATOM    932  N   ASN    61       4.889   6.426 -19.088  1.00  1.00           N
+ATOM    933  CA  ASN    61       6.058   6.692 -19.907  1.00  1.00           C
+ATOM    934  C   ASN    61       7.251   7.002 -19.000  1.00  1.00           C
+ATOM    935  O   ASN    61       7.215   7.956 -18.224  1.00  1.00           O
+ATOM    940  H   ASN    61       5.075   6.296 -18.115  1.00  1.00           H
+ATOM    941  HA  ASN    61       6.207   5.790 -20.499  1.00  1.00           H
+ATOM    936  CB  ASN    61       5.830   7.902 -20.815  1.00  1.00           C
+ATOM    937  CG  ASN    61       7.106   8.262 -21.581  1.00  1.00           C
+ATOM    938  OD1 ASN    61       8.208   7.903 -21.206  1.00  1.00           O
+ATOM    939  ND2 ASN    61       6.893   8.990 -22.674  1.00  1.00           N
+ATOM    942  HB2 ASN    61       5.026   7.686 -21.520  1.00  1.00           H
+ATOM    943  HB3 ASN    61       5.509   8.756 -20.217  1.00  1.00           H
+ATOM    944 HD21 ASN    61       5.961   9.252 -22.928  1.00  1.00           H
+ATOM    945 HD22 ASN    61       7.664   9.275 -23.243  1.00  1.00           H
+ATOM    946  N   THR    62       8.280   6.178 -19.128  1.00  1.00           N
+ATOM    947  CA  THR    62       9.482   6.350 -18.329  1.00  1.00           C
+ATOM    948  C   THR    62      10.654   6.780 -19.215  1.00  1.00           C
+ATOM    949  O   THR    62      10.759   6.350 -20.363  1.00  1.00           O
+ATOM    953  H   THR    62       8.302   5.405 -19.763  1.00  1.00           H
+ATOM    954  HA  THR    62       9.308   7.156 -17.617  1.00  1.00           H
+ATOM    950  CB  THR    62       9.738   5.046 -17.572  1.00  1.00           C
+ATOM    951  OG1 THR    62       8.475   4.723 -16.998  1.00  1.00           O
+ATOM    952  CG2 THR    62      10.658   5.241 -16.364  1.00  1.00           C
+ATOM    955  HB  THR    62      10.131   4.279 -18.241  1.00  1.00           H
+ATOM    956  HG1 THR    62       7.922   5.552 -16.900  1.00  1.00           H
+ATOM    957 HG21 THR    62      10.393   6.166 -15.851  1.00  1.00           H
+ATOM    958 HG22 THR    62      10.543   4.399 -15.682  1.00  1.00           H
+ATOM    959 HG23 THR    62      11.693   5.297 -16.701  1.00  1.00           H
+ATOM    960  N   ALA    63      11.505   7.622 -18.647  1.00  1.00           N
+ATOM    961  CA  ALA    63      12.665   8.114 -19.371  1.00  1.00           C
+ATOM    962  C   ALA    63      13.800   7.094 -19.260  1.00  1.00           C
+ATOM    963  O   ALA    63      14.919   7.443 -18.884  1.00  1.00           O
+ATOM    965  H   ALA    63      11.413   7.967 -17.713  1.00  1.00           H
+ATOM    966  HA  ALA    63      12.383   8.219 -20.419  1.00  1.00           H
+ATOM    964  CB  ALA    63      13.061   9.488 -18.827  1.00  1.00           C
+ATOM    967  HB1 ALA    63      12.190  10.144 -18.832  1.00  1.00           H
+ATOM    968  HB2 ALA    63      13.431   9.383 -17.808  1.00  1.00           H
+ATOM    969  HB3 ALA    63      13.843   9.916 -19.455  1.00  1.00           H
+ATOM    970  N   SER    64      13.473   5.854 -19.593  1.00  1.00           N
+ATOM    971  CA  SER    64      14.453   4.781 -19.535  1.00  1.00           C
+ATOM    972  C   SER    64      15.376   4.980 -18.333  1.00  1.00           C
+ATOM    973  O   SER    64      16.554   4.627 -18.386  1.00  1.00           O
+ATOM    976  H   SER    64      12.562   5.579 -19.897  1.00  1.00           H
+ATOM    977  HA  SER    64      13.870   3.866 -19.423  1.00  1.00           H
+ATOM    974  CB  SER    64      15.268   4.710 -20.828  1.00  1.00           C
+ATOM    975  OG  SER    64      16.200   5.784 -20.930  1.00  1.00           O
+ATOM    978  HB2 SER    64      15.803   3.761 -20.867  1.00  1.00           H
+ATOM    979  HB3 SER    64      14.595   4.732 -21.684  1.00  1.00           H
+ATOM    980  HG  SER    64      16.122   6.382 -20.132  1.00  1.00           H
+ATOM    981  N   ASP    65      14.810   5.546 -17.278  1.00  1.00           N
+ATOM    982  CA  ASP    65      15.569   5.795 -16.064  1.00  1.00           C
+ATOM    983  C   ASP    65      14.707   5.447 -14.849  1.00  1.00           C
+ATOM    984  O   ASP    65      15.104   4.632 -14.017  1.00  1.00           O
+ATOM    989  H   ASP    65      13.852   5.831 -17.243  1.00  1.00           H
+ATOM    990  HA  ASP    65      16.453   5.165 -16.144  1.00  1.00           H
+ATOM    985  CB  ASP    65      15.964   7.270 -15.956  1.00  1.00           C
+ATOM    986  CG  ASP    65      16.896   7.605 -14.790  1.00  1.00           C
+ATOM    987  OD1 ASP    65      16.359   7.860 -13.690  1.00  1.00           O
+ATOM    988  OD2 ASP    65      18.123   7.601 -15.025  1.00  1.00           O
+ATOM    991  HB2 ASP    65      16.447   7.570 -16.886  1.00  1.00           H
+ATOM    992  HB3 ASP    65      15.057   7.868 -15.860  1.00  1.00           H
+ATOM    993  N   GLY    66      13.546   6.081 -14.785  1.00  1.00           N
+ATOM    994  CA  GLY    66      12.626   5.847 -13.684  1.00  1.00           C
+ATOM    995  C   GLY    66      11.482   6.862 -13.700  1.00  1.00           C
+ATOM    996  O   GLY    66      10.311   6.486 -13.692  1.00  1.00           O
+ATOM    997  H   GLY    66      13.230   6.742 -15.466  1.00  1.00           H
+ATOM    998  HA2 GLY    66      12.221   4.838 -13.752  1.00  1.00           H
+ATOM    999  HA3 GLY    66      13.162   5.912 -12.737  1.00  1.00           H
+ATOM   1000  N   LYS    67      11.862   8.132 -13.723  1.00  1.00           N
+ATOM   1001  CA  LYS    67      10.883   9.207 -13.741  1.00  1.00           C
+ATOM   1002  C   LYS    67       9.820   8.904 -14.798  1.00  1.00           C
+ATOM   1003  O   LYS    67      10.118   8.309 -15.832  1.00  1.00           O
+ATOM   1009  H   LYS    67      12.816   8.431 -13.730  1.00  1.00           H
+ATOM   1010  HA  LYS    67      10.403   9.226 -12.762  1.00  1.00           H
+ATOM   1004  CB  LYS    67      11.573  10.558 -13.932  1.00  1.00           C
+ATOM   1005  CG  LYS    67      12.810  10.419 -14.821  1.00  1.00           C
+ATOM   1006  CD  LYS    67      14.089  10.394 -13.981  1.00  1.00           C
+ATOM   1007  CE  LYS    67      14.823  11.735 -14.057  1.00  1.00           C
+ATOM   1008  NZ  LYS    67      15.462  11.903 -15.381  1.00  1.00           N
+ATOM   1011  HB2 LYS    67      10.876  11.266 -14.379  1.00  1.00           H
+ATOM   1012  HB3 LYS    67      11.860  10.964 -12.962  1.00  1.00           H
+ATOM   1013  HG2 LYS    67      12.740   9.506 -15.411  1.00  1.00           H
+ATOM   1014  HG3 LYS    67      12.852  11.251 -15.526  1.00  1.00           H
+ATOM   1015  HD2 LYS    67      13.843  10.168 -12.944  1.00  1.00           H
+ATOM   1016  HD3 LYS    67      14.745   9.598 -14.333  1.00  1.00           H
+ATOM   1017  HE2 LYS    67      14.121  12.550 -13.879  1.00  1.00           H
+ATOM   1018  HE3 LYS    67      15.577  11.787 -13.273  1.00  1.00           H
+ATOM   1019  HZ1 LYS    67      14.782  11.757 -16.100  1.00  1.00           H
+ATOM   1020  HZ2 LYS    67      15.834  12.827 -15.457  1.00  1.00           H
+ATOM   1021  HZ3 LYS    67      16.200  11.236 -15.481  1.00  1.00           H
+ATOM   1022  N   LEU    68       8.600   9.327 -14.502  1.00  1.00           N
+ATOM   1023  CA  LEU    68       7.489   9.110 -15.414  1.00  1.00           C
+ATOM   1024  C   LEU    68       7.168  10.417 -16.142  1.00  1.00           C
+ATOM   1025  O   LEU    68       6.671  11.364 -15.534  1.00  1.00           O
+ATOM   1030  H   LEU    68       8.365   9.811 -13.659  1.00  1.00           H
+ATOM   1031  HA  LEU    68       7.813   8.373 -16.151  1.00  1.00           H
+ATOM   1026  CB  LEU    68       6.294   8.510 -14.671  1.00  1.00           C
+ATOM   1027  CG  LEU    68       6.469   7.076 -14.164  1.00  1.00           C
+ATOM   1028  CD1 LEU    68       7.483   7.019 -13.019  1.00  1.00           C
+ATOM   1029  CD2 LEU    68       5.124   6.466 -13.769  1.00  1.00           C
+ATOM   1032  HB2 LEU    68       6.063   9.149 -13.819  1.00  1.00           H
+ATOM   1033  HB3 LEU    68       5.429   8.536 -15.333  1.00  1.00           H
+ATOM   1034  HG  LEU    68       6.871   6.473 -14.979  1.00  1.00           H
+ATOM   1035 HD11 LEU    68       8.432   7.443 -13.351  1.00  1.00           H
+ATOM   1036 HD12 LEU    68       7.106   7.593 -12.172  1.00  1.00           H
+ATOM   1037 HD13 LEU    68       7.634   5.984 -12.718  1.00  1.00           H
+ATOM   1038 HD21 LEU    68       4.637   7.104 -13.033  1.00  1.00           H
+ATOM   1039 HD22 LEU    68       4.489   6.381 -14.652  1.00  1.00           H
+ATOM   1040 HD23 LEU    68       5.285   5.475 -13.343  1.00  1.00           H
+ATOM   1041  N   TYR    69       7.466  10.427 -17.433  1.00  1.00           N
+ATOM   1042  CA  TYR    69       7.215  11.602 -18.249  1.00  1.00           C
+ATOM   1043  C   TYR    69       6.376  11.247 -19.478  1.00  1.00           C
+ATOM   1044  O   TYR    69       6.794  10.438 -20.308  1.00  1.00           O
+ATOM   1053  H   TYR    69       7.870   9.652 -17.919  1.00  1.00           H
+ATOM   1054  HA  TYR    69       6.669  12.323 -17.642  1.00  1.00           H
+ATOM   1045  CB  TYR    69       8.588  12.098 -18.709  1.00  1.00           C
+ATOM   1046  CG  TYR    69       9.116  11.392 -19.959  1.00  1.00           C
+ATOM   1047  CD1 TYR    69       9.652  10.125 -19.863  1.00  1.00           C
+ATOM   1048  CD2 TYR    69       9.058  12.026 -21.184  1.00  1.00           C
+ATOM   1049  CE1 TYR    69      10.151   9.462 -21.041  1.00  1.00           C
+ATOM   1050  CE2 TYR    69       9.556  11.362 -22.362  1.00  1.00           C
+ATOM   1051  CZ  TYR    69      10.077  10.114 -22.232  1.00  1.00           C
+ATOM   1052  OH  TYR    69      10.547   9.487 -23.343  1.00  1.00           O
+ATOM   1055  HB2 TYR    69       8.530  13.167 -18.905  1.00  1.00           H
+ATOM   1056  HB3 TYR    69       9.302  11.959 -17.897  1.00  1.00           H
+ATOM   1057  HD1 TYR    69       9.699   9.625 -18.895  1.00  1.00           H
+ATOM   1058  HD2 TYR    69       8.636  13.027 -21.260  1.00  1.00           H
+ATOM   1059  HE1 TYR    69      10.576   8.461 -20.979  1.00  1.00           H
+ATOM   1060  HE2 TYR    69       9.516  11.851 -23.335  1.00  1.00           H
+ATOM   1061  HH  TYR    69      10.578  10.129 -24.110  1.00  1.00           H
+ATOM   1062  N   VAL    70       5.208  11.868 -19.558  1.00  1.00           N
+ATOM   1063  CA  VAL    70       4.309  11.627 -20.673  1.00  1.00           C
+ATOM   1064  C   VAL    70       4.813  12.382 -21.904  1.00  1.00           C
+ATOM   1065  O   VAL    70       4.588  11.955 -23.035  1.00  1.00           O
+ATOM   1069  H   VAL    70       4.877  12.523 -18.881  1.00  1.00           H
+ATOM   1070  HA  VAL    70       4.325  10.557 -20.885  1.00  1.00           H
+ATOM   1066  CB  VAL    70       2.878  12.008 -20.282  1.00  1.00           C
+ATOM   1067  CG1 VAL    70       1.879  11.549 -21.346  1.00  1.00           C
+ATOM   1068  CG2 VAL    70       2.516  11.440 -18.908  1.00  1.00           C
+ATOM   1071  HB  VAL    70       2.827  13.095 -20.220  1.00  1.00           H
+ATOM   1072 HG11 VAL    70       2.320  11.672 -22.336  1.00  1.00           H
+ATOM   1073 HG12 VAL    70       1.633  10.500 -21.186  1.00  1.00           H
+ATOM   1074 HG13 VAL    70       0.972  12.150 -21.275  1.00  1.00           H
+ATOM   1075 HG21 VAL    70       3.416  11.060 -18.424  1.00  1.00           H
+ATOM   1076 HG22 VAL    70       2.077  12.227 -18.295  1.00  1.00           H
+ATOM   1077 HG23 VAL    70       1.798  10.629 -19.028  1.00  1.00           H
+ATOM   1078  N   SER    71       5.484  13.494 -21.642  1.00  1.00           N
+ATOM   1079  CA  SER    71       6.023  14.313 -22.713  1.00  1.00           C
+ATOM   1080  C   SER    71       7.553  14.340 -22.636  1.00  1.00           C
+ATOM   1081  O   SER    71       8.224  13.557 -23.306  1.00  1.00           O
+ATOM   1084  H   SER    71       5.664  13.835 -20.718  1.00  1.00           H
+ATOM   1085  HA  SER    71       5.696  13.833 -23.636  1.00  1.00           H
+ATOM   1082  CB  SER    71       5.465  15.737 -22.653  1.00  1.00           C
+ATOM   1083  OG  SER    71       5.971  16.554 -23.706  1.00  1.00           O
+ATOM   1086  HB2 SER    71       4.377  15.701 -22.711  1.00  1.00           H
+ATOM   1087  HB3 SER    71       5.718  16.185 -21.693  1.00  1.00           H
+ATOM   1088  HG  SER    71       5.820  17.518 -23.492  1.00  1.00           H
+ATOM   1089  N   SER    72       8.055  15.247 -21.812  1.00  1.00           N
+ATOM   1090  CA  SER    72       9.491  15.385 -21.637  1.00  1.00           C
+ATOM   1091  C   SER    72       9.794  16.557 -20.703  1.00  1.00           C
+ATOM   1092  O   SER    72      10.546  16.411 -19.741  1.00  1.00           O
+ATOM   1095  H   SER    72       7.501  15.878 -21.270  1.00  1.00           H
+ATOM   1096  HA  SER    72       9.820  14.446 -21.191  1.00  1.00           H
+ATOM   1093  CB  SER    72      10.193  15.582 -22.982  1.00  1.00           C
+ATOM   1094  OG  SER    72      11.076  14.505 -23.287  1.00  1.00           O
+ATOM   1097  HB2 SER    72       9.445  15.672 -23.771  1.00  1.00           H
+ATOM   1098  HB3 SER    72      10.753  16.516 -22.966  1.00  1.00           H
+ATOM   1099  HG  SER    72      12.021  14.777 -23.107  1.00  1.00           H
+ATOM   1100  N   GLU    73       9.192  17.695 -21.019  1.00  1.00           N
+ATOM   1101  CA  GLU    73       9.389  18.892 -20.220  1.00  1.00           C
+ATOM   1102  C   GLU    73       8.522  18.838 -18.960  1.00  1.00           C
+ATOM   1103  O   GLU    73       8.560  19.752 -18.137  1.00  1.00           O
+ATOM   1109  H   GLU    73       8.582  17.805 -21.803  1.00  1.00           H
+ATOM   1110  HA  GLU    73      10.444  18.887 -19.944  1.00  1.00           H
+ATOM   1104  CB  GLU    73       9.091  20.152 -21.037  1.00  1.00           C
+ATOM   1105  CG  GLU    73       7.881  20.898 -20.471  1.00  1.00           C
+ATOM   1106  CD  GLU    73       7.385  21.961 -21.454  1.00  1.00           C
+ATOM   1107  OE1 GLU    73       8.224  22.792 -21.862  1.00  1.00           O
+ATOM   1108  OE2 GLU    73       6.178  21.918 -21.776  1.00  1.00           O
+ATOM   1111  HB2 GLU    73       9.962  20.807 -21.031  1.00  1.00           H
+ATOM   1112  HB3 GLU    73       8.903  19.879 -22.075  1.00  1.00           H
+ATOM   1113  HG2 GLU    73       7.080  20.190 -20.261  1.00  1.00           H
+ATOM   1114  HG3 GLU    73       8.148  21.368 -19.526  1.00  1.00           H
+ATOM   1115  N   SER    74       7.764  17.758 -18.849  1.00  1.00           N
+ATOM   1116  CA  SER    74       6.889  17.573 -17.704  1.00  1.00           C
+ATOM   1117  C   SER    74       7.071  16.166 -17.129  1.00  1.00           C
+ATOM   1118  O   SER    74       6.161  15.341 -17.200  1.00  1.00           O
+ATOM   1121  H   SER    74       7.739  17.019 -19.522  1.00  1.00           H
+ATOM   1122  HA  SER    74       7.200  18.324 -16.979  1.00  1.00           H
+ATOM   1119  CB  SER    74       5.426  17.807 -18.084  1.00  1.00           C
+ATOM   1120  OG  SER    74       5.272  18.923 -18.955  1.00  1.00           O
+ATOM   1123  HB2 SER    74       5.029  16.913 -18.567  1.00  1.00           H
+ATOM   1124  HB3 SER    74       4.838  17.967 -17.181  1.00  1.00           H
+ATOM   1125  HG  SER    74       5.657  19.744 -18.531  1.00  1.00           H
+ATOM   1126  N   ARG    75       8.250  15.936 -16.573  1.00  1.00           N
+ATOM   1127  CA  ARG    75       8.563  14.644 -15.986  1.00  1.00           C
+ATOM   1128  C   ARG    75       8.119  14.604 -14.522  1.00  1.00           C
+ATOM   1129  O   ARG    75       8.158  15.620 -13.831  1.00  1.00           O
+ATOM   1137  H   ARG    75       8.985  16.613 -16.518  1.00  1.00           H
+ATOM   1138  HA  ARG    75       8.004  13.924 -16.585  1.00  1.00           H
+ATOM   1130  CB  ARG    75      10.062  14.350 -16.066  1.00  1.00           C
+ATOM   1131  CG  ARG    75      10.777  15.381 -16.940  1.00  1.00           C
+ATOM   1132  CD  ARG    75      12.089  14.819 -17.491  1.00  1.00           C
+ATOM   1133  NE  ARG    75      12.859  15.892 -18.159  1.00  1.00           N
+ATOM   1134  CZ  ARG    75      14.190  15.873 -18.317  1.00  1.00           C
+ATOM   1135  NH1 ARG    75      14.905  14.838 -17.858  1.00  1.00           N
+ATOM   1136  NH2 ARG    75      14.805  16.891 -18.935  1.00  1.00           N
+ATOM   1139  HB2 ARG    75      10.492  14.358 -15.065  1.00  1.00           H
+ATOM   1140  HB3 ARG    75      10.219  13.351 -16.473  1.00  1.00           H
+ATOM   1141  HG2 ARG    75      10.128  15.675 -17.767  1.00  1.00           H
+ATOM   1142  HG3 ARG    75      10.978  16.280 -16.358  1.00  1.00           H
+ATOM   1143  HD2 ARG    75      12.676  14.388 -16.681  1.00  1.00           H
+ATOM   1144  HD3 ARG    75      11.881  14.016 -18.197  1.00  1.00           H
+ATOM   1145  HE  ARG    75      12.356  16.680 -18.513  1.00  1.00           H
+ATOM   1146 HH11 ARG    75      14.446  14.078 -17.396  1.00  1.00           H
+ATOM   1147 HH12 ARG    75      15.898  14.825 -17.976  1.00  1.00           H
+ATOM   1148 HH21 ARG    75      14.271  17.665 -19.277  1.00  1.00           H
+ATOM   1149 HH22 ARG    75      15.798  16.879 -19.054  1.00  1.00           H
+ATOM   1150  N   PHE    76       7.708  13.419 -14.094  1.00  1.00           N
+ATOM   1151  CA  PHE    76       7.256  13.234 -12.725  1.00  1.00           C
+ATOM   1152  C   PHE    76       7.812  11.936 -12.136  1.00  1.00           C
+ATOM   1153  O   PHE    76       8.344  11.098 -12.863  1.00  1.00           O
+ATOM   1161  H   PHE    76       7.678  12.598 -14.663  1.00  1.00           H
+ATOM   1162  HA  PHE    76       7.626  14.080 -12.145  1.00  1.00           H
+ATOM   1154  CB  PHE    76       5.729  13.151 -12.764  1.00  1.00           C
+ATOM   1155  CG  PHE    76       5.069  14.233 -13.621  1.00  1.00           C
+ATOM   1156  CD1 PHE    76       4.868  15.478 -13.110  1.00  1.00           C
+ATOM   1157  CD2 PHE    76       4.683  13.950 -14.895  1.00  1.00           C
+ATOM   1158  CE1 PHE    76       4.255  16.482 -13.906  1.00  1.00           C
+ATOM   1159  CE2 PHE    76       4.070  14.954 -15.690  1.00  1.00           C
+ATOM   1160  CZ  PHE    76       3.869  16.199 -15.179  1.00  1.00           C
+ATOM   1163  HB2 PHE    76       5.438  12.172 -13.145  1.00  1.00           H
+ATOM   1164  HB3 PHE    76       5.346  13.224 -11.746  1.00  1.00           H
+ATOM   1165  HD1 PHE    76       5.177  15.704 -12.090  1.00  1.00           H
+ATOM   1166  HD2 PHE    76       4.844  12.953 -15.304  1.00  1.00           H
+ATOM   1167  HE1 PHE    76       4.094  17.478 -13.496  1.00  1.00           H
+ATOM   1168  HE2 PHE    76       3.761  14.727 -16.711  1.00  1.00           H
+ATOM   1169  HZ  PHE    76       3.398  16.969 -15.790  1.00  1.00           H
+ATOM   1170  N   ASN    77       7.667  11.808 -10.826  1.00  1.00           N
+ATOM   1171  CA  ASN    77       8.147  10.626 -10.131  1.00  1.00           C
+ATOM   1172  C   ASN    77       6.954   9.763  -9.719  1.00  1.00           C
+ATOM   1173  O   ASN    77       7.047   8.536  -9.699  1.00  1.00           O
+ATOM   1178  H   ASN    77       7.233  12.494 -10.242  1.00  1.00           H
+ATOM   1179  HA  ASN    77       8.801  10.122 -10.843  1.00  1.00           H
+ATOM   1174  CB  ASN    77       8.916  11.006  -8.865  1.00  1.00           C
+ATOM   1175  CG  ASN    77      10.394  11.257  -9.175  1.00  1.00           C
+ATOM   1176  OD1 ASN    77      11.040  10.509  -9.892  1.00  1.00           O
+ATOM   1177  ND2 ASN    77      10.889  12.347  -8.598  1.00  1.00           N
+ATOM   1180  HB2 ASN    77       8.478  11.900  -8.422  1.00  1.00           H
+ATOM   1181  HB3 ASN    77       8.828  10.207  -8.127  1.00  1.00           H
+ATOM   1182 HD21 ASN    77      10.306  12.918  -8.022  1.00  1.00           H
+ATOM   1183 HD22 ASN    77      11.848  12.597  -8.741  1.00  1.00           H
+ATOM   1184  N   THR    78       5.858  10.438  -9.399  1.00  1.00           N
+ATOM   1185  CA  THR    78       4.648   9.747  -8.986  1.00  1.00           C
+ATOM   1186  C   THR    78       3.487  10.106  -9.916  1.00  1.00           C
+ATOM   1187  O   THR    78       3.457  11.198 -10.484  1.00  1.00           O
+ATOM   1191  H   THR    78       5.790  11.434  -9.417  1.00  1.00           H
+ATOM   1192  HA  THR    78       4.814   8.674  -9.084  1.00  1.00           H
+ATOM   1188  CB  THR    78       4.383  10.092  -7.520  1.00  1.00           C
+ATOM   1189  OG1 THR    78       4.656  11.487  -7.437  1.00  1.00           O
+ATOM   1190  CG2 THR    78       5.402   9.455  -6.574  1.00  1.00           C
+ATOM   1193  HB  THR    78       3.365   9.823  -7.235  1.00  1.00           H
+ATOM   1194  HG1 THR    78       4.031  11.996  -8.029  1.00  1.00           H
+ATOM   1195 HG21 THR    78       6.103   8.849  -7.150  1.00  1.00           H
+ATOM   1196 HG22 THR    78       5.948  10.237  -6.047  1.00  1.00           H
+ATOM   1197 HG23 THR    78       4.884   8.823  -5.853  1.00  1.00           H
+ATOM   1198  N   LEU    79       2.559   9.169 -10.042  1.00  1.00           N
+ATOM   1199  CA  LEU    79       1.399   9.375 -10.891  1.00  1.00           C
+ATOM   1200  C   LEU    79       0.731  10.701 -10.525  1.00  1.00           C
+ATOM   1201  O   LEU    79       0.467  11.529 -11.394  1.00  1.00           O
+ATOM   1206  H   LEU    79       2.591   8.286  -9.575  1.00  1.00           H
+ATOM   1207  HA  LEU    79       1.754   9.440 -11.919  1.00  1.00           H
+ATOM   1202  CB  LEU    79       0.458   8.171 -10.813  1.00  1.00           C
+ATOM   1203  CG  LEU    79       0.123   7.671  -9.407  1.00  1.00           C
+ATOM   1204  CD1 LEU    79      -1.360   7.882  -9.090  1.00  1.00           C
+ATOM   1205  CD2 LEU    79       0.544   6.211  -9.228  1.00  1.00           C
+ATOM   1208  HB2 LEU    79      -0.473   8.429 -11.318  1.00  1.00           H
+ATOM   1209  HB3 LEU    79       0.906   7.348 -11.373  1.00  1.00           H
+ATOM   1210  HG  LEU    79       0.692   8.262  -8.690  1.00  1.00           H
+ATOM   1211 HD11 LEU    79      -1.912   8.030 -10.017  1.00  1.00           H
+ATOM   1212 HD12 LEU    79      -1.748   7.007  -8.569  1.00  1.00           H
+ATOM   1213 HD13 LEU    79      -1.473   8.761  -8.455  1.00  1.00           H
+ATOM   1214 HD21 LEU    79       0.625   5.734 -10.204  1.00  1.00           H
+ATOM   1215 HD22 LEU    79       1.510   6.173  -8.724  1.00  1.00           H
+ATOM   1216 HD23 LEU    79      -0.200   5.688  -8.629  1.00  1.00           H
+ATOM   1217  N   ALA    80       0.477  10.863  -9.235  1.00  1.00           N
+ATOM   1218  CA  ALA    80      -0.155  12.074  -8.742  1.00  1.00           C
+ATOM   1219  C   ALA    80       0.489  13.289  -9.412  1.00  1.00           C
+ATOM   1220  O   ALA    80      -0.177  14.028 -10.136  1.00  1.00           O
+ATOM   1222  H   ALA    80       0.694  10.184  -8.532  1.00  1.00           H
+ATOM   1223  HA  ALA    80      -1.209  12.034  -9.016  1.00  1.00           H
+ATOM   1221  CB  ALA    80      -0.045  12.124  -7.216  1.00  1.00           C
+ATOM   1224  HB1 ALA    80       0.804  11.522  -6.894  1.00  1.00           H
+ATOM   1225  HB2 ALA    80       0.099  13.156  -6.895  1.00  1.00           H
+ATOM   1226  HB3 ALA    80      -0.959  11.730  -6.772  1.00  1.00           H
+ATOM   1227  N   GLU    81       1.776  13.458  -9.148  1.00  1.00           N
+ATOM   1228  CA  GLU    81       2.517  14.571  -9.717  1.00  1.00           C
+ATOM   1229  C   GLU    81       2.224  14.694 -11.215  1.00  1.00           C
+ATOM   1230  O   GLU    81       2.202  15.796 -11.758  1.00  1.00           O
+ATOM   1236  H   GLU    81       2.310  12.853  -8.559  1.00  1.00           H
+ATOM   1237  HA  GLU    81       2.155  15.457  -9.196  1.00  1.00           H
+ATOM   1231  CB  GLU    81       4.018  14.417  -9.463  1.00  1.00           C
+ATOM   1232  CG  GLU    81       4.414  15.039  -8.123  1.00  1.00           C
+ATOM   1233  CD  GLU    81       3.514  14.528  -6.995  1.00  1.00           C
+ATOM   1234  OE1 GLU    81       3.143  13.335  -7.060  1.00  1.00           O
+ATOM   1235  OE2 GLU    81       3.217  15.342  -6.094  1.00  1.00           O
+ATOM   1238  HB2 GLU    81       4.286  13.361  -9.472  1.00  1.00           H
+ATOM   1239  HB3 GLU    81       4.577  14.894 -10.268  1.00  1.00           H
+ATOM   1240  HG2 GLU    81       5.453  14.799  -7.900  1.00  1.00           H
+ATOM   1241  HG3 GLU    81       4.344  16.125  -8.185  1.00  1.00           H
+ATOM   1242  N   LEU    82       2.006  13.545 -11.838  1.00  1.00           N
+ATOM   1243  CA  LEU    82       1.715  13.509 -13.262  1.00  1.00           C
+ATOM   1244  C   LEU    82       0.387  14.223 -13.524  1.00  1.00           C
+ATOM   1245  O   LEU    82       0.320  15.134 -14.347  1.00  1.00           O
+ATOM   1250  H   LEU    82       2.025  12.652 -11.389  1.00  1.00           H
+ATOM   1251  HA  LEU    82       2.508  14.057 -13.770  1.00  1.00           H
+ATOM   1246  CB  LEU    82       1.755  12.071 -13.781  1.00  1.00           C
+ATOM   1247  CG  LEU    82       1.984  11.907 -15.284  1.00  1.00           C
+ATOM   1248  CD1 LEU    82       3.250  11.096 -15.561  1.00  1.00           C
+ATOM   1249  CD2 LEU    82       0.754  11.299 -15.964  1.00  1.00           C
+ATOM   1252  HB2 LEU    82       2.544  11.536 -13.252  1.00  1.00           H
+ATOM   1253  HB3 LEU    82       0.813  11.586 -13.521  1.00  1.00           H
+ATOM   1254  HG  LEU    82       2.134  12.897 -15.717  1.00  1.00           H
+ATOM   1255 HD11 LEU    82       3.964  11.249 -14.751  1.00  1.00           H
+ATOM   1256 HD12 LEU    82       2.998  10.037 -15.627  1.00  1.00           H
+ATOM   1257 HD13 LEU    82       3.694  11.423 -16.501  1.00  1.00           H
+ATOM   1258 HD21 LEU    82      -0.149  11.724 -15.527  1.00  1.00           H
+ATOM   1259 HD22 LEU    82       0.782  11.518 -17.031  1.00  1.00           H
+ATOM   1260 HD23 LEU    82       0.755  10.219 -15.815  1.00  1.00           H
+ATOM   1261  N   VAL    83      -0.636  13.781 -12.808  1.00  1.00           N
+ATOM   1262  CA  VAL    83      -1.959  14.365 -12.953  1.00  1.00           C
+ATOM   1263  C   VAL    83      -1.919  15.824 -12.497  1.00  1.00           C
+ATOM   1264  O   VAL    83      -2.544  16.688 -13.111  1.00  1.00           O
+ATOM   1268  H   VAL    83      -0.574  13.039 -12.140  1.00  1.00           H
+ATOM   1269  HA  VAL    83      -2.217  14.335 -14.012  1.00  1.00           H
+ATOM   1265  CB  VAL    83      -2.987  13.528 -12.192  1.00  1.00           C
+ATOM   1266  CG1 VAL    83      -4.012  14.423 -11.491  1.00  1.00           C
+ATOM   1267  CG2 VAL    83      -3.677  12.527 -13.121  1.00  1.00           C
+ATOM   1270  HB  VAL    83      -2.458  12.963 -11.424  1.00  1.00           H
+ATOM   1271 HG11 VAL    83      -3.606  15.429 -11.389  1.00  1.00           H
+ATOM   1272 HG12 VAL    83      -4.927  14.459 -12.082  1.00  1.00           H
+ATOM   1273 HG13 VAL    83      -4.234  14.018 -10.503  1.00  1.00           H
+ATOM   1274 HG21 VAL    83      -3.781  12.966 -14.113  1.00  1.00           H
+ATOM   1275 HG22 VAL    83      -3.079  11.619 -13.184  1.00  1.00           H
+ATOM   1276 HG23 VAL    83      -4.664  12.285 -12.725  1.00  1.00           H
+ATOM   1277  N   HIS    84      -1.179  16.056 -11.424  1.00  1.00           N
+ATOM   1278  CA  HIS    84      -1.050  17.397 -10.877  1.00  1.00           C
+ATOM   1279  C   HIS    84      -0.779  18.388 -12.010  1.00  1.00           C
+ATOM   1280  O   HIS    84      -1.564  19.309 -12.234  1.00  1.00           O
+ATOM   1287  H   HIS    84      -0.674  15.349 -10.929  1.00  1.00           H
+ATOM   1288  HA  HIS    84      -2.006  17.640 -10.414  1.00  1.00           H
+ATOM   1281  CB  HIS    84       0.021  17.438  -9.785  1.00  1.00           C
+ATOM   1282  CG  HIS    84      -0.516  17.759  -8.411  1.00  1.00           C
+ATOM   1283  ND1 HIS    84      -1.827  17.513  -8.042  1.00  1.00           N
+ATOM   1284  CD2 HIS    84       0.095  18.307  -7.321  1.00  1.00           C
+ATOM   1285  CE1 HIS    84      -1.987  17.901  -6.785  1.00  1.00           C
+ATOM   1286  NE2 HIS    84      -0.795  18.394  -6.341  1.00  1.00           N
+ATOM   1289  HB2 HIS    84       0.526  16.473  -9.750  1.00  1.00           H
+ATOM   1290  HB3 HIS    84       0.772  18.180 -10.054  1.00  1.00           H
+ATOM   1291  HD1 HIS    84      -2.534  17.111  -8.624  1.00  1.00           H
+ATOM   1292  HD2 HIS    84       1.137  18.622  -7.266  1.00  1.00           H
+ATOM   1293  HE1 HIS    84      -2.910  17.838  -6.207  1.00  1.00           H
+ATOM   1294  N   HIS    85       0.333  18.166 -12.695  1.00  1.00           N
+ATOM   1295  CA  HIS    85       0.716  19.029 -13.800  1.00  1.00           C
+ATOM   1296  C   HIS    85      -0.310  18.905 -14.927  1.00  1.00           C
+ATOM   1297  O   HIS    85      -0.779  19.911 -15.458  1.00  1.00           O
+ATOM   1304  H   HIS    85       0.965  17.414 -12.507  1.00  1.00           H
+ATOM   1305  HA  HIS    85       0.704  20.050 -13.418  1.00  1.00           H
+ATOM   1298  CB  HIS    85       2.143  18.720 -14.260  1.00  1.00           C
+ATOM   1299  CG  HIS    85       2.489  19.293 -15.613  1.00  1.00           C
+ATOM   1300  ND1 HIS    85       2.923  20.596 -15.788  1.00  1.00           N
+ATOM   1301  CD2 HIS    85       2.462  18.726 -16.854  1.00  1.00           C
+ATOM   1302  CE1 HIS    85       3.143  20.793 -17.079  1.00  1.00           C
+ATOM   1303  NE2 HIS    85       2.857  19.635 -17.739  1.00  1.00           N
+ATOM   1306  HB2 HIS    85       2.844  19.110 -13.521  1.00  1.00           H
+ATOM   1307  HB3 HIS    85       2.279  17.640 -14.287  1.00  1.00           H
+ATOM   1308  HD1 HIS    85       3.049  21.272 -15.062  1.00  1.00           H
+ATOM   1309  HD2 HIS    85       2.167  17.702 -17.080  1.00  1.00           H
+ATOM   1310  HE1 HIS    85       3.491  21.721 -17.534  1.00  1.00           H
+ATOM   1311  N   HIS    86      -0.628  17.663 -15.262  1.00  1.00           N
+ATOM   1312  CA  HIS    86      -1.590  17.394 -16.318  1.00  1.00           C
+ATOM   1313  C   HIS    86      -2.983  17.841 -15.868  1.00  1.00           C
+ATOM   1314  O   HIS    86      -3.976  17.552 -16.533  1.00  1.00           O
+ATOM   1321  H   HIS    86      -0.242  16.850 -14.825  1.00  1.00           H
+ATOM   1322  HA  HIS    86      -1.286  17.992 -17.177  1.00  1.00           H
+ATOM   1315  CB  HIS    86      -1.544  15.923 -16.733  1.00  1.00           C
+ATOM   1316  CG  HIS    86      -0.249  15.511 -17.390  1.00  1.00           C
+ATOM   1317  ND1 HIS    86       0.493  16.366 -18.188  1.00  1.00           N
+ATOM   1318  CD2 HIS    86       0.428  14.327 -17.361  1.00  1.00           C
+ATOM   1319  CE1 HIS    86       1.565  15.715 -18.613  1.00  1.00           C
+ATOM   1320  NE2 HIS    86       1.523  14.451 -18.100  1.00  1.00           N
+ATOM   1323  HB2 HIS    86      -1.707  15.302 -15.852  1.00  1.00           H
+ATOM   1324  HB3 HIS    86      -2.368  15.724 -17.419  1.00  1.00           H
+ATOM   1325  HD1 HIS    86       0.259  17.313 -18.405  1.00  1.00           H
+ATOM   1326  HD2 HIS    86       0.121  13.431 -16.821  1.00  1.00           H
+ATOM   1327  HE1 HIS    86       2.345  16.118 -19.260  1.00  1.00           H
+ATOM   1328  N   SER    87      -3.010  18.539 -14.741  1.00  1.00           N
+ATOM   1329  CA  SER    87      -4.266  19.027 -14.195  1.00  1.00           C
+ATOM   1330  C   SER    87      -4.716  20.276 -14.957  1.00  1.00           C
+ATOM   1331  O   SER    87      -5.899  20.430 -15.257  1.00  1.00           O
+ATOM   1334  H   SER    87      -2.199  18.769 -14.206  1.00  1.00           H
+ATOM   1335  HA  SER    87      -4.978  18.215 -14.336  1.00  1.00           H
+ATOM   1332  CB  SER    87      -4.133  19.336 -12.703  1.00  1.00           C
+ATOM   1333  OG  SER    87      -5.400  19.568 -12.091  1.00  1.00           O
+ATOM   1336  HB2 SER    87      -3.637  18.504 -12.203  1.00  1.00           H
+ATOM   1337  HB3 SER    87      -3.498  20.212 -12.567  1.00  1.00           H
+ATOM   1338  HG  SER    87      -5.922  20.229 -12.629  1.00  1.00           H
+ATOM   1339  N   THR    88      -3.750  21.134 -15.247  1.00  1.00           N
+ATOM   1340  CA  THR    88      -4.033  22.364 -15.966  1.00  1.00           C
+ATOM   1341  C   THR    88      -3.107  22.498 -17.177  1.00  1.00           C
+ATOM   1342  O   THR    88      -3.306  23.370 -18.022  1.00  1.00           O
+ATOM   1346  H   THR    88      -2.791  21.001 -14.998  1.00  1.00           H
+ATOM   1347  HA  THR    88      -5.052  22.312 -16.349  1.00  1.00           H
+ATOM   1343  CB  THR    88      -3.916  23.528 -14.981  1.00  1.00           C
+ATOM   1344  OG1 THR    88      -4.439  24.643 -15.696  1.00  1.00           O
+ATOM   1345  CG2 THR    88      -2.463  23.914 -14.700  1.00  1.00           C
+ATOM   1348  HB  THR    88      -4.446  23.307 -14.054  1.00  1.00           H
+ATOM   1349  HG1 THR    88      -5.394  24.474 -15.945  1.00  1.00           H
+ATOM   1350 HG21 THR    88      -1.942  24.079 -15.644  1.00  1.00           H
+ATOM   1351 HG22 THR    88      -2.437  24.828 -14.107  1.00  1.00           H
+ATOM   1352 HG23 THR    88      -1.973  23.109 -14.150  1.00  1.00           H
+ATOM   1353  N   VAL    89      -2.115  21.620 -17.223  1.00  1.00           N
+ATOM   1354  CA  VAL    89      -1.158  21.630 -18.317  1.00  1.00           C
+ATOM   1355  C   VAL    89      -0.905  20.194 -18.778  1.00  1.00           C
+ATOM   1356  O   VAL    89       0.189  19.662 -18.593  1.00  1.00           O
+ATOM   1360  H   VAL    89      -1.961  20.915 -16.532  1.00  1.00           H
+ATOM   1361  HA  VAL    89      -1.604  22.190 -19.139  1.00  1.00           H
+ATOM   1357  CB  VAL    89       0.120  22.354 -17.887  1.00  1.00           C
+ATOM   1358  CG1 VAL    89       0.062  23.837 -18.260  1.00  1.00           C
+ATOM   1359  CG2 VAL    89       0.374  22.176 -16.388  1.00  1.00           C
+ATOM   1362  HB  VAL    89       0.955  21.905 -18.424  1.00  1.00           H
+ATOM   1363 HG11 VAL    89      -0.816  24.022 -18.880  1.00  1.00           H
+ATOM   1364 HG12 VAL    89       0.000  24.438 -17.354  1.00  1.00           H
+ATOM   1365 HG13 VAL    89       0.961  24.107 -18.815  1.00  1.00           H
+ATOM   1366 HG21 VAL    89      -0.559  22.319 -15.842  1.00  1.00           H
+ATOM   1367 HG22 VAL    89       0.755  21.171 -16.201  1.00  1.00           H
+ATOM   1368 HG23 VAL    89       1.107  22.910 -16.055  1.00  1.00           H
+ATOM   1369  N   ALA    90      -1.933  19.606 -19.373  1.00  1.00           N
+ATOM   1370  CA  ALA    90      -1.837  18.243 -19.863  1.00  1.00           C
+ATOM   1371  C   ALA    90      -0.861  18.197 -21.040  1.00  1.00           C
+ATOM   1372  O   ALA    90      -1.274  18.033 -22.188  1.00  1.00           O
+ATOM   1374  H   ALA    90      -2.819  20.046 -19.519  1.00  1.00           H
+ATOM   1375  HA  ALA    90      -1.444  17.626 -19.054  1.00  1.00           H
+ATOM   1373  CB  ALA    90      -3.228  17.735 -20.240  1.00  1.00           C
+ATOM   1376  HB1 ALA    90      -3.926  17.948 -19.428  1.00  1.00           H
+ATOM   1377  HB2 ALA    90      -3.565  18.237 -21.148  1.00  1.00           H
+ATOM   1378  HB3 ALA    90      -3.189  16.660 -20.411  1.00  1.00           H
+ATOM   1379  N   ASP    91       0.416  18.346 -20.717  1.00  1.00           N
+ATOM   1380  CA  ASP    91       1.452  18.324 -21.734  1.00  1.00           C
+ATOM   1381  C   ASP    91       1.625  16.894 -22.251  1.00  1.00           C
+ATOM   1382  O   ASP    91       2.405  16.651 -23.170  1.00  1.00           O
+ATOM   1387  H   ASP    91       0.743  18.480 -19.781  1.00  1.00           H
+ATOM   1388  HA  ASP    91       1.110  19.010 -22.509  1.00  1.00           H
+ATOM   1383  CB  ASP    91       2.796  18.785 -21.161  1.00  1.00           C
+ATOM   1384  CG  ASP    91       3.948  17.793 -21.338  1.00  1.00           C
+ATOM   1385  OD1 ASP    91       3.827  16.678 -20.785  1.00  1.00           O
+ATOM   1386  OD2 ASP    91       4.922  18.172 -22.022  1.00  1.00           O
+ATOM   1389  HB2 ASP    91       3.071  19.727 -21.634  1.00  1.00           H
+ATOM   1390  HB3 ASP    91       2.669  18.986 -20.097  1.00  1.00           H
+ATOM   1391  N   GLY    92       0.882  15.984 -21.638  1.00  1.00           N
+ATOM   1392  CA  GLY    92       0.942  14.585 -22.024  1.00  1.00           C
+ATOM   1393  C   GLY    92      -0.462  13.999 -22.178  1.00  1.00           C
+ATOM   1394  O   GLY    92      -0.814  13.492 -23.243  1.00  1.00           O
+ATOM   1395  H   GLY    92       0.250  16.190 -20.891  1.00  1.00           H
+ATOM   1396  HA2 GLY    92       1.486  14.487 -22.963  1.00  1.00           H
+ATOM   1397  HA3 GLY    92       1.496  14.021 -21.273  1.00  1.00           H
+ATOM   1398  N   LEU    93      -1.227  14.087 -21.100  1.00  1.00           N
+ATOM   1399  CA  LEU    93      -2.586  13.570 -21.102  1.00  1.00           C
+ATOM   1400  C   LEU    93      -3.432  14.375 -22.089  1.00  1.00           C
+ATOM   1401  O   LEU    93      -3.199  15.568 -22.282  1.00  1.00           O
+ATOM   1406  H   LEU    93      -0.934  14.500 -20.238  1.00  1.00           H
+ATOM   1407  HA  LEU    93      -2.542  12.536 -21.446  1.00  1.00           H
+ATOM   1402  CB  LEU    93      -3.152  13.550 -19.681  1.00  1.00           C
+ATOM   1403  CG  LEU    93      -2.214  13.029 -18.592  1.00  1.00           C
+ATOM   1404  CD1 LEU    93      -2.898  13.050 -17.223  1.00  1.00           C
+ATOM   1405  CD2 LEU    93      -1.679  11.641 -18.944  1.00  1.00           C
+ATOM   1408  HB2 LEU    93      -3.456  14.562 -19.418  1.00  1.00           H
+ATOM   1409  HB3 LEU    93      -4.054  12.936 -19.679  1.00  1.00           H
+ATOM   1410  HG  LEU    93      -1.356  13.698 -18.531  1.00  1.00           H
+ATOM   1411 HD11 LEU    93      -3.320  14.038 -17.041  1.00  1.00           H
+ATOM   1412 HD12 LEU    93      -3.693  12.305 -17.203  1.00  1.00           H
+ATOM   1413 HD13 LEU    93      -2.166  12.821 -16.447  1.00  1.00           H
+ATOM   1414 HD21 LEU    93      -1.602  11.545 -20.027  1.00  1.00           H
+ATOM   1415 HD22 LEU    93      -0.695  11.504 -18.495  1.00  1.00           H
+ATOM   1416 HD23 LEU    93      -2.361  10.881 -18.561  1.00  1.00           H
+ATOM   1417  N   ILE    94      -4.395  13.692 -22.689  1.00  1.00           N
+ATOM   1418  CA  ILE    94      -5.276  14.329 -23.653  1.00  1.00           C
+ATOM   1419  C   ILE    94      -5.923  15.558 -23.011  1.00  1.00           C
+ATOM   1420  O   ILE    94      -5.407  16.669 -23.132  1.00  1.00           O
+ATOM   1425  H   ILE    94      -4.577  12.723 -22.527  1.00  1.00           H
+ATOM   1426  HA  ILE    94      -4.661  14.659 -24.490  1.00  1.00           H
+ATOM   1421  CB  ILE    94      -6.286  13.320 -24.203  1.00  1.00           C
+ATOM   1422  CG1 ILE    94      -6.892  12.479 -23.077  1.00  1.00           C
+ATOM   1423  CG2 ILE    94      -5.655  12.449 -25.292  1.00  1.00           C
+ATOM   1424  CD1 ILE    94      -8.421  12.520 -23.125  1.00  1.00           C
+ATOM   1427  HB  ILE    94      -7.103  13.873 -24.667  1.00  1.00           H
+ATOM   1428 HG12 ILE    94      -6.547  11.449 -23.163  1.00  1.00           H
+ATOM   1429 HG13 ILE    94      -6.544  12.853 -22.114  1.00  1.00           H
+ATOM   1430 HG21 ILE    94      -4.680  12.857 -25.562  1.00  1.00           H
+ATOM   1431 HG22 ILE    94      -5.532  11.433 -24.919  1.00  1.00           H
+ATOM   1432 HG23 ILE    94      -6.300  12.440 -26.170  1.00  1.00           H
+ATOM   1433 HD11 ILE    94      -8.752  13.544 -23.290  1.00  1.00           H
+ATOM   1434 HD12 ILE    94      -8.775  11.886 -23.939  1.00  1.00           H
+ATOM   1435 HD13 ILE    94      -8.823  12.154 -22.180  1.00  1.00           H
+ATOM   1436  N   THR    95      -7.041  15.319 -22.344  1.00  1.00           N
+ATOM   1437  CA  THR    95      -7.763  16.393 -21.684  1.00  1.00           C
+ATOM   1438  C   THR    95      -7.088  16.753 -20.359  1.00  1.00           C
+ATOM   1439  O   THR    95      -5.869  16.637 -20.227  1.00  1.00           O
+ATOM   1443  H   THR    95      -7.454  14.412 -22.250  1.00  1.00           H
+ATOM   1444  HA  THR    95      -7.717  17.278 -22.317  1.00  1.00           H
+ATOM   1440  CB  THR    95      -9.220  15.955 -21.522  1.00  1.00           C
+ATOM   1441  OG1 THR    95      -9.739  16.832 -20.528  1.00  1.00           O
+ATOM   1442  CG2 THR    95      -9.347  14.564 -20.897  1.00  1.00           C
+ATOM   1445  HB  THR    95      -9.748  16.001 -22.475  1.00  1.00           H
+ATOM   1446  HG1 THR    95     -10.736  16.756 -20.490  1.00  1.00           H
+ATOM   1447 HG21 THR    95      -8.467  13.971 -21.145  1.00  1.00           H
+ATOM   1448 HG22 THR    95      -9.427  14.659 -19.813  1.00  1.00           H
+ATOM   1449 HG23 THR    95     -10.240  14.071 -21.284  1.00  1.00           H
+ATOM   1450  N   THR    96      -7.908  17.184 -19.411  1.00  1.00           N
+ATOM   1451  CA  THR    96      -7.404  17.562 -18.101  1.00  1.00           C
+ATOM   1452  C   THR    96      -8.325  17.028 -17.002  1.00  1.00           C
+ATOM   1453  O   THR    96      -9.510  17.357 -16.964  1.00  1.00           O
+ATOM   1457  H   THR    96      -8.897  17.275 -19.527  1.00  1.00           H
+ATOM   1458  HA  THR    96      -6.431  17.094 -17.959  1.00  1.00           H
+ATOM   1454  CB  THR    96      -7.248  19.084 -18.076  1.00  1.00           C
+ATOM   1455  OG1 THR    96      -8.576  19.566 -17.890  1.00  1.00           O
+ATOM   1456  CG2 THR    96      -6.833  19.652 -19.435  1.00  1.00           C
+ATOM   1459  HB  THR    96      -6.551  19.391 -17.297  1.00  1.00           H
+ATOM   1460  HG1 THR    96      -8.553  20.481 -17.486  1.00  1.00           H
+ATOM   1461 HG21 THR    96      -6.189  18.937 -19.946  1.00  1.00           H
+ATOM   1462 HG22 THR    96      -7.721  19.837 -20.039  1.00  1.00           H
+ATOM   1463 HG23 THR    96      -6.293  20.586 -19.288  1.00  1.00           H
+ATOM   1464  N   LEU    97      -7.746  16.214 -16.133  1.00  1.00           N
+ATOM   1465  CA  LEU    97      -8.498  15.631 -15.036  1.00  1.00           C
+ATOM   1466  C   LEU    97      -9.717  16.507 -14.737  1.00  1.00           C
+ATOM   1467  O   LEU    97      -9.598  17.727 -14.631  1.00  1.00           O
+ATOM   1472  H   LEU    97      -6.780  15.952 -16.169  1.00  1.00           H
+ATOM   1473  HA  LEU    97      -8.848  14.652 -15.363  1.00  1.00           H
+ATOM   1468  CB  LEU    97      -7.591  15.406 -13.824  1.00  1.00           C
+ATOM   1469  CG  LEU    97      -6.166  15.950 -13.942  1.00  1.00           C
+ATOM   1470  CD1 LEU    97      -5.700  16.557 -12.616  1.00  1.00           C
+ATOM   1471  CD2 LEU    97      -5.207  14.871 -14.447  1.00  1.00           C
+ATOM   1474  HB2 LEU    97      -8.063  15.861 -12.953  1.00  1.00           H
+ATOM   1475  HB3 LEU    97      -7.535  14.334 -13.631  1.00  1.00           H
+ATOM   1476  HG  LEU    97      -6.167  16.753 -14.680  1.00  1.00           H
+ATOM   1477 HD11 LEU    97      -6.083  15.959 -11.789  1.00  1.00           H
+ATOM   1478 HD12 LEU    97      -4.611  16.566 -12.585  1.00  1.00           H
+ATOM   1479 HD13 LEU    97      -6.075  17.576 -12.532  1.00  1.00           H
+ATOM   1480 HD21 LEU    97      -5.667  13.890 -14.326  1.00  1.00           H
+ATOM   1481 HD22 LEU    97      -4.990  15.043 -15.501  1.00  1.00           H
+ATOM   1482 HD23 LEU    97      -4.281  14.911 -13.873  1.00  1.00           H
+ATOM   1483  N   HIS    98     -10.860  15.851 -14.611  1.00  1.00           N
+ATOM   1484  CA  HIS    98     -12.100  16.555 -14.327  1.00  1.00           C
+ATOM   1485  C   HIS    98     -12.933  15.746 -13.329  1.00  1.00           C
+ATOM   1486  O   HIS    98     -14.157  15.856 -13.305  1.00  1.00           O
+ATOM   1493  H   HIS    98     -10.948  14.858 -14.699  1.00  1.00           H
+ATOM   1494  HA  HIS    98     -11.822  17.504 -13.871  1.00  1.00           H
+ATOM   1487  CB  HIS    98     -12.859  16.861 -15.619  1.00  1.00           C
+ATOM   1488  CG  HIS    98     -14.134  17.642 -15.412  1.00  1.00           C
+ATOM   1489  ND1 HIS    98     -14.202  19.018 -15.546  1.00  1.00           N
+ATOM   1490  CD2 HIS    98     -15.389  17.226 -15.079  1.00  1.00           C
+ATOM   1491  CE1 HIS    98     -15.447  19.401 -15.302  1.00  1.00           C
+ATOM   1492  NE2 HIS    98     -16.181  18.289 -15.012  1.00  1.00           N
+ATOM   1495  HB2 HIS    98     -12.205  17.424 -16.287  1.00  1.00           H
+ATOM   1496  HB3 HIS    98     -13.095  15.924 -16.121  1.00  1.00           H
+ATOM   1497  HD1 HIS    98     -13.441  19.620 -15.787  1.00  1.00           H
+ATOM   1498  HD2 HIS    98     -15.692  16.194 -14.898  1.00  1.00           H
+ATOM   1499  HE1 HIS    98     -15.819  20.425 -15.330  1.00  1.00           H
+ATOM   1500  N   TYR    99     -12.233  14.952 -12.530  1.00  1.00           N
+ATOM   1501  CA  TYR    99     -12.893  14.125 -11.535  1.00  1.00           C
+ATOM   1502  C   TYR    99     -11.952  13.820 -10.367  1.00  1.00           C
+ATOM   1503  O   TYR    99     -11.850  12.675  -9.931  1.00  1.00           O
+ATOM   1512  H   TYR    99     -11.238  14.868 -12.558  1.00  1.00           H
+ATOM   1513  HA  TYR    99     -13.758  14.674 -11.161  1.00  1.00           H
+ATOM   1504  CB  TYR    99     -13.250  12.816 -12.241  1.00  1.00           C
+ATOM   1505  CG  TYR    99     -12.328  11.647 -11.889  1.00  1.00           C
+ATOM   1506  CD1 TYR    99     -10.958  11.814 -11.929  1.00  1.00           C
+ATOM   1507  CD2 TYR    99     -12.864  10.427 -11.533  1.00  1.00           C
+ATOM   1508  CE1 TYR    99     -10.090  10.713 -11.598  1.00  1.00           C
+ATOM   1509  CE2 TYR    99     -11.997   9.327 -11.201  1.00  1.00           C
+ATOM   1510  CZ  TYR    99     -10.652   9.524 -11.250  1.00  1.00           C
+ATOM   1511  OH  TYR    99      -9.832   8.485 -10.937  1.00  1.00           O
+ATOM   1514  HB2 TYR    99     -14.275  12.545 -11.987  1.00  1.00           H
+ATOM   1515  HB3 TYR    99     -13.221  12.978 -13.318  1.00  1.00           H
+ATOM   1516  HD1 TYR    99     -10.533  12.776 -12.211  1.00  1.00           H
+ATOM   1517  HD2 TYR    99     -13.947  10.296 -11.502  1.00  1.00           H
+ATOM   1518  HE1 TYR    99      -9.006  10.831 -11.624  1.00  1.00           H
+ATOM   1519  HE2 TYR    99     -12.408   8.359 -10.918  1.00  1.00           H
+ATOM   1520  HH  TYR    99     -10.369   7.648 -10.824  1.00  1.00           H
+ATOM   1521  N   PRO   100     -11.273  14.894  -9.880  1.00  1.00           N
+ATOM   1522  CA  PRO   100     -10.344  14.752  -8.771  1.00  1.00           C
+ATOM   1523  C   PRO   100     -11.093  14.584  -7.448  1.00  1.00           C
+ATOM   1524  O   PRO   100     -10.492  14.658  -6.378  1.00  1.00           O
+ATOM   1528  HA  PRO   100      -9.795  13.924  -8.882  1.00  1.00           H
+ATOM   1525  CB  PRO   100      -9.487  16.006  -8.814  1.00  1.00           C
+ATOM   1526  CG  PRO   100     -10.263  17.014  -9.647  1.00  1.00           C
+ATOM   1527  CD  PRO   100     -11.370  16.264 -10.372  1.00  1.00           C
+ATOM   1529  HB2 PRO   100      -9.306  16.388  -7.809  1.00  1.00           H
+ATOM   1530  HB3 PRO   100      -8.514  15.800  -9.257  1.00  1.00           H
+ATOM   1531  HG2 PRO   100     -10.682  17.793  -9.011  1.00  1.00           H
+ATOM   1532  HG3 PRO   100      -9.603  17.506 -10.362  1.00  1.00           H
+ATOM   1533  HD2 PRO   100     -12.347  16.695 -10.154  1.00  1.00           H
+ATOM   1534  HD3 PRO   100     -11.235  16.309 -11.452  1.00  1.00           H
+ATOM   1535  N   ALA   101     -12.394  14.359  -7.565  1.00  1.00           N
+ATOM   1536  CA  ALA   101     -13.230  14.179  -6.391  1.00  1.00           C
+ATOM   1537  C   ALA   101     -13.017  12.771  -5.828  1.00  1.00           C
+ATOM   1538  O   ALA   101     -12.833  11.818  -6.585  1.00  1.00           O
+ATOM   1540  H   ALA   101     -12.874  14.298  -8.440  1.00  1.00           H
+ATOM   1541  HA  ALA   101     -12.919  14.909  -5.646  1.00  1.00           H
+ATOM   1539  CB  ALA   101     -14.692  14.444  -6.760  1.00  1.00           C
+ATOM   1542  HB1 ALA   101     -14.739  15.231  -7.512  1.00  1.00           H
+ATOM   1543  HB2 ALA   101     -15.137  13.531  -7.158  1.00  1.00           H
+ATOM   1544  HB3 ALA   101     -15.239  14.756  -5.871  1.00  1.00           H
+ATOM   1545  N   PRO   102     -13.049  12.684  -4.472  1.00  1.00           N
+ATOM   1546  CA  PRO   102     -12.860  11.408  -3.800  1.00  1.00           C
+ATOM   1547  C   PRO   102     -14.112  10.537  -3.920  1.00  1.00           C
+ATOM   1548  O   PRO   102     -15.169  11.013  -4.329  1.00  1.00           O
+ATOM   1552  HA  PRO   102     -12.124  10.893  -4.235  1.00  1.00           H
+ATOM   1549  CB  PRO   102     -12.523  11.769  -2.362  1.00  1.00           C
+ATOM   1550  CG  PRO   102     -12.989  13.203  -2.171  1.00  1.00           C
+ATOM   1551  CD  PRO   102     -13.263  13.791  -3.545  1.00  1.00           C
+ATOM   1553  HB2 PRO   102     -13.025  11.099  -1.664  1.00  1.00           H
+ATOM   1554  HB3 PRO   102     -11.452  11.677  -2.178  1.00  1.00           H
+ATOM   1555  HG2 PRO   102     -13.888  13.234  -1.556  1.00  1.00           H
+ATOM   1556  HG3 PRO   102     -12.228  13.786  -1.652  1.00  1.00           H
+ATOM   1557  HD2 PRO   102     -14.281  14.175  -3.615  1.00  1.00           H
+ATOM   1558  HD3 PRO   102     -12.592  14.623  -3.761  1.00  1.00           H
+ATOM   1559  N   LYS   103     -13.949   9.272  -3.557  1.00  1.00           N
+ATOM   1560  CA  LYS   103     -15.053   8.328  -3.619  1.00  1.00           C
+ATOM   1561  C   LYS   103     -15.556   8.045  -2.203  1.00  1.00           C
+ATOM   1562  O   LYS   103     -14.773   7.706  -1.317  1.00  1.00           O
+ATOM   1568  H   LYS   103     -13.086   8.893  -3.226  1.00  1.00           H
+ATOM   1569  HA  LYS   103     -15.857   8.802  -4.184  1.00  1.00           H
+ATOM   1563  CB  LYS   103     -14.640   7.071  -4.387  1.00  1.00           C
+ATOM   1564  CG  LYS   103     -13.589   6.275  -3.612  1.00  1.00           C
+ATOM   1565  CD  LYS   103     -12.209   6.411  -4.259  1.00  1.00           C
+ATOM   1566  CE  LYS   103     -11.367   7.467  -3.540  1.00  1.00           C
+ATOM   1567  NZ  LYS   103      -9.964   7.012  -3.414  1.00  1.00           N
+ATOM   1570  HB2 LYS   103     -15.515   6.447  -4.568  1.00  1.00           H
+ATOM   1571  HB3 LYS   103     -14.242   7.351  -5.363  1.00  1.00           H
+ATOM   1572  HG2 LYS   103     -13.546   6.629  -2.581  1.00  1.00           H
+ATOM   1573  HG3 LYS   103     -13.876   5.225  -3.577  1.00  1.00           H
+ATOM   1574  HD2 LYS   103     -11.696   5.451  -4.233  1.00  1.00           H
+ATOM   1575  HD3 LYS   103     -12.322   6.684  -5.308  1.00  1.00           H
+ATOM   1576  HE2 LYS   103     -11.404   8.406  -4.090  1.00  1.00           H
+ATOM   1577  HE3 LYS   103     -11.782   7.659  -2.551  1.00  1.00           H
+ATOM   1578  HZ1 LYS   103      -9.696   6.525  -4.245  1.00  1.00           H
+ATOM   1579  HZ2 LYS   103      -9.367   7.804  -3.286  1.00  1.00           H
+ATOM   1580  HZ3 LYS   103      -9.881   6.400  -2.627  1.00  1.00           H
+ATOM   1581  N   ARG   104     -16.862   8.196  -2.032  1.00  1.00           N
+ATOM   1582  CA  ARG   104     -17.479   7.961  -0.738  1.00  1.00           C
+ATOM   1583  C   ARG   104     -18.100   6.565  -0.691  1.00  1.00           C
+ATOM   1584  O   ARG   104     -17.890   5.818   0.264  1.00  1.00           O
+ATOM   1592  H   ARG   104     -17.492   8.474  -2.757  1.00  1.00           H
+ATOM   1593  HA  ARG   104     -16.665   8.053  -0.020  1.00  1.00           H
+ATOM   1585  CB  ARG   104     -18.562   9.004  -0.447  1.00  1.00           C
+ATOM   1586  CG  ARG   104     -19.436   8.569   0.732  1.00  1.00           C
+ATOM   1587  CD  ARG   104     -19.584   9.702   1.750  1.00  1.00           C
+ATOM   1588  NE  ARG   104     -20.909  10.346   1.603  1.00  1.00           N
+ATOM   1589  CZ  ARG   104     -21.120  11.664   1.726  1.00  1.00           C
+ATOM   1590  NH1 ARG   104     -20.098  12.485   2.000  1.00  1.00           N
+ATOM   1591  NH2 ARG   104     -22.357  12.159   1.576  1.00  1.00           N
+ATOM   1594  HB2 ARG   104     -18.097   9.964  -0.226  1.00  1.00           H
+ATOM   1595  HB3 ARG   104     -19.183   9.144  -1.332  1.00  1.00           H
+ATOM   1596  HG2 ARG   104     -20.420   8.272   0.368  1.00  1.00           H
+ATOM   1597  HG3 ARG   104     -18.996   7.697   1.215  1.00  1.00           H
+ATOM   1598  HD2 ARG   104     -19.472   9.311   2.761  1.00  1.00           H
+ATOM   1599  HD3 ARG   104     -18.794  10.439   1.604  1.00  1.00           H
+ATOM   1600  HE  ARG   104     -21.694   9.762   1.398  1.00  1.00           H
+ATOM   1601 HH11 ARG   104     -19.176  12.115   2.111  1.00  1.00           H
+ATOM   1602 HH12 ARG   104     -20.257  13.468   2.091  1.00  1.00           H
+ATOM   1603 HH21 ARG   104     -23.120  11.548   1.372  1.00  1.00           H
+ATOM   1604 HH22 ARG   104     -22.515  13.143   1.668  1.00  1.00           H
+ATOM   1605  N   GLY   105     -18.855   6.251  -1.735  1.00  1.00           N
+ATOM   1606  CA  GLY   105     -19.507   4.956  -1.826  1.00  1.00           C
+ATOM   1607  C   GLY   105     -18.484   3.841  -2.048  1.00  1.00           C
+ATOM   1608  O   GLY   105     -18.145   3.522  -3.187  1.00  1.00           O
+ATOM   1609  H   GLY   105     -19.020   6.864  -2.508  1.00  1.00           H
+ATOM   1610  HA2 GLY   105     -20.068   4.763  -0.913  1.00  1.00           H
+ATOM   1611  HA3 GLY   105     -20.225   4.965  -2.647  1.00  1.00           H
+ATOM   1612  N   ILE   106     -18.020   3.278  -0.943  1.00  1.00           N
+ATOM   1613  CA  ILE   106     -17.042   2.206  -1.002  1.00  1.00           C
+ATOM   1614  C   ILE   106     -17.768   0.858  -0.965  1.00  1.00           C
+ATOM   1615  O   ILE   106     -17.695   0.084  -1.918  1.00  1.00           O
+ATOM   1620  H   ILE   106     -18.301   3.544  -0.020  1.00  1.00           H
+ATOM   1621  HA  ILE   106     -16.521   2.291  -1.954  1.00  1.00           H
+ATOM   1616  CB  ILE   106     -15.998   2.371   0.105  1.00  1.00           C
+ATOM   1617  CG1 ILE   106     -15.252   3.698  -0.042  1.00  1.00           C
+ATOM   1618  CG2 ILE   106     -15.042   1.177   0.139  1.00  1.00           C
+ATOM   1619  CD1 ILE   106     -15.509   4.606   1.163  1.00  1.00           C
+ATOM   1622  HB  ILE   106     -16.516   2.396   1.063  1.00  1.00           H
+ATOM   1623 HG12 ILE   106     -14.183   3.510  -0.137  1.00  1.00           H
+ATOM   1624 HG13 ILE   106     -15.570   4.200  -0.955  1.00  1.00           H
+ATOM   1625 HG21 ILE   106     -15.515   0.319  -0.339  1.00  1.00           H
+ATOM   1626 HG22 ILE   106     -14.126   1.429  -0.394  1.00  1.00           H
+ATOM   1627 HG23 ILE   106     -14.805   0.931   1.174  1.00  1.00           H
+ATOM   1628 HD11 ILE   106     -16.539   4.484   1.497  1.00  1.00           H
+ATOM   1629 HD12 ILE   106     -14.830   4.337   1.973  1.00  1.00           H
+ATOM   1630 HD13 ILE   106     -15.340   5.645   0.878  1.00  1.00           H
+ATOM   1631  N   HIS   107     -18.450   0.619   0.145  1.00  1.00           N
+ATOM   1632  CA  HIS   107     -19.188  -0.621   0.318  1.00  1.00           C
+ATOM   1633  C   HIS   107     -19.965  -0.577   1.634  1.00  1.00           C
+ATOM   1634  O   HIS   107     -19.765  -1.421   2.507  1.00  1.00           O
+ATOM   1641  H   HIS   107     -18.505   1.253   0.917  1.00  1.00           H
+ATOM   1642  HA  HIS   107     -19.895  -0.683  -0.510  1.00  1.00           H
+ATOM   1635  CB  HIS   107     -18.251  -1.827   0.222  1.00  1.00           C
+ATOM   1636  CG  HIS   107     -17.485  -2.112   1.491  1.00  1.00           C
+ATOM   1637  ND1 HIS   107     -17.680  -3.258   2.244  1.00  1.00           N
+ATOM   1638  CD2 HIS   107     -16.522  -1.390   2.132  1.00  1.00           C
+ATOM   1639  CE1 HIS   107     -16.865  -3.216   3.288  1.00  1.00           C
+ATOM   1640  NE2 HIS   107     -16.149  -2.057   3.217  1.00  1.00           N
+ATOM   1643  HB2 HIS   107     -18.838  -2.708  -0.042  1.00  1.00           H
+ATOM   1644  HB3 HIS   107     -17.543  -1.660  -0.589  1.00  1.00           H
+ATOM   1645  HD1 HIS   107     -18.326  -3.992   2.035  1.00  1.00           H
+ATOM   1646  HD2 HIS   107     -16.126  -0.428   1.807  1.00  1.00           H
+ATOM   1647  HE1 HIS   107     -16.782  -3.973   4.066  1.00  1.00           H
+ATOM   1648  N   ARG   108     -20.836   0.417   1.737  1.00  1.00           N
+ATOM   1649  CA  ARG   108     -21.645   0.582   2.933  1.00  1.00           C
+ATOM   1650  C   ARG   108     -23.070   0.997   2.558  1.00  1.00           C
+ATOM   1651  O   ARG   108     -23.263   1.943   1.796  1.00  1.00           O
+ATOM   1659  H   ARG   108     -20.993   1.099   1.024  1.00  1.00           H
+ATOM   1660  HA  ARG   108     -21.635  -0.396   3.413  1.00  1.00           H
+ATOM   1652  CB  ARG   108     -21.042   1.637   3.865  1.00  1.00           C
+ATOM   1653  CG  ARG   108     -20.457   0.988   5.121  1.00  1.00           C
+ATOM   1654  CD  ARG   108     -18.967   1.307   5.259  1.00  1.00           C
+ATOM   1655  NE  ARG   108     -18.529   1.083   6.654  1.00  1.00           N
+ATOM   1656  CZ  ARG   108     -17.412   1.602   7.183  1.00  1.00           C
+ATOM   1657  NH1 ARG   108     -16.614   2.376   6.437  1.00  1.00           N
+ATOM   1658  NH2 ARG   108     -17.094   1.344   8.460  1.00  1.00           N
+ATOM   1661  HB2 ARG   108     -20.262   2.187   3.339  1.00  1.00           H
+ATOM   1662  HB3 ARG   108     -21.808   2.359   4.146  1.00  1.00           H
+ATOM   1663  HG2 ARG   108     -20.991   1.344   6.001  1.00  1.00           H
+ATOM   1664  HG3 ARG   108     -20.599  -0.091   5.077  1.00  1.00           H
+ATOM   1665  HD2 ARG   108     -18.388   0.679   4.582  1.00  1.00           H
+ATOM   1666  HD3 ARG   108     -18.780   2.341   4.972  1.00  1.00           H
+ATOM   1667  HE  ARG   108     -19.102   0.508   7.240  1.00  1.00           H
+ATOM   1668 HH11 ARG   108     -16.852   2.567   5.484  1.00  1.00           H
+ATOM   1669 HH12 ARG   108     -15.780   2.762   6.832  1.00  1.00           H
+ATOM   1670 HH21 ARG   108     -17.690   0.765   9.017  1.00  1.00           H
+ATOM   1671 HH22 ARG   108     -16.260   1.730   8.855  1.00  1.00           H
+ATOM   1672  N   ASP   109     -24.028   0.271   3.111  1.00  1.00           N
+ATOM   1673  CA  ASP   109     -25.428   0.551   2.845  1.00  1.00           C
+ATOM   1674  C   ASP   109     -25.660   2.063   2.896  1.00  1.00           C
+ATOM   1675  O   ASP   109     -24.679   2.796   2.649  1.00  1.00           O
+ATOM   1681  H   ASP   109     -23.861  -0.497   3.731  1.00  1.00           H
+ATOM   1682  HA  ASP   109     -25.621   0.133   1.857  1.00  1.00           H
+ATOM   1676  CB  ASP   109     -26.331  -0.101   3.894  1.00  1.00           C
+ATOM   1677  CG  ASP   109     -26.253  -1.628   3.954  1.00  1.00           C
+ATOM   1678  OD1 ASP   109     -26.298  -2.222   2.809  1.00  1.00           O
+ATOM   1679  OD2 ASP   109     -26.156  -2.220   5.039  1.00  1.00           O
+ATOM   1683  HB2 ASP   109     -26.072   0.301   4.873  1.00  1.00           H
+ATOM   1684  HB3 ASP   109     -27.363   0.189   3.693  1.00  1.00           H
+ATOM   1680  OXT ASP   109     -26.770   2.515   3.170  1.00  1.00           O
+TER
+END
diff --git a/Mobi/data/stdout2 b/Mobi/data/stdout2
new file mode 100644
index 0000000..fa2f96a
--- /dev/null
+++ b/Mobi/data/stdout2
@@ -0,0 +1,1695 @@
+SEQRES   0   109   GLY SER GLY ASN SER LEU GLU LYS HIS SER TRP TYR HIS 
+SEQRES   1   109   GLY PRO VAL SER ARG ASN ALA ALA GLU TYR LEU LEU SER 
+SEQRES   2   109   SER GLY ILE ASN GLY SER PHE LEU VAL ARG GLU SER GLU 
+SEQRES   3   109   SER SER PRO GLY GLN ARG SER ILE SER LEU ARG TYR GLU 
+SEQRES   4   109   GLY ARG VAL TYR HIS TYR ARG ILE ASN THR ALA SER ASP 
+SEQRES   5   109   GLY LYS LEU TYR VAL SER SER GLU SER ARG PHE ASN THR 
+SEQRES   6   109   LEU ALA GLU LEU VAL HIS HIS HIS SER THR VAL ALA ASP 
+SEQRES   7   109   GLY LEU ILE THR THR LEU HIS TYR PRO ALA PRO LYS ARG 
+SEQRES   9   109   GLY ILE HIS ARG ASP 
+ATOM      1  N   GLY     1       6.667  -1.830   0.886  1.00  1.00           N
+ATOM      2  CA  GLY     1       7.406  -1.578   2.111  1.00  1.00           C
+ATOM      3  C   GLY     1       6.718  -0.502   2.954  1.00  1.00           C
+ATOM      4  O   GLY     1       5.584  -0.684   3.394  1.00  1.00           O
+ATOM      5  H1  GLY     1       5.687  -1.975   1.104  1.00  1.00           H
+ATOM      6  H2  GLY     1       6.761  -1.035   0.265  1.00  1.00           H
+ATOM      7  H3  GLY     1       7.037  -2.658   0.432  1.00  1.00           H
+ATOM      8  HA2 GLY     1       7.486  -2.500   2.687  1.00  1.00           H
+ATOM      9  HA3 GLY     1       8.421  -1.262   1.870  1.00  1.00           H
+ATOM     10  N   SER     2       7.433   0.596   3.153  1.00  1.00           N
+ATOM     11  CA  SER     2       6.905   1.700   3.935  1.00  1.00           C
+ATOM     12  C   SER     2       5.947   2.534   3.081  1.00  1.00           C
+ATOM     13  O   SER     2       4.778   2.696   3.431  1.00  1.00           O
+ATOM     16  H   SER     2       8.354   0.735   2.792  1.00  1.00           H
+ATOM     17  HA  SER     2       6.373   1.238   4.765  1.00  1.00           H
+ATOM     14  CB  SER     2       8.034   2.578   4.479  1.00  1.00           C
+ATOM     15  OG  SER     2       7.536   3.694   5.212  1.00  1.00           O
+ATOM     18  HB2 SER     2       8.680   1.980   5.123  1.00  1.00           H
+ATOM     19  HB3 SER     2       8.647   2.933   3.651  1.00  1.00           H
+ATOM     20  HG  SER     2       6.705   4.044   4.781  1.00  1.00           H
+ATOM     21  N   GLY     3       6.477   3.045   1.981  1.00  1.00           N
+ATOM     22  CA  GLY     3       5.684   3.859   1.075  1.00  1.00           C
+ATOM     23  C   GLY     3       4.834   2.983   0.153  1.00  1.00           C
+ATOM     24  O   GLY     3       3.606   3.058   0.179  1.00  1.00           O
+ATOM     25  H   GLY     3       7.429   2.910   1.703  1.00  1.00           H
+ATOM     26  HA2 GLY     3       5.040   4.523   1.649  1.00  1.00           H
+ATOM     27  HA3 GLY     3       6.341   4.490   0.477  1.00  1.00           H
+ATOM     28  N   ASN     4       5.520   2.173  -0.640  1.00  1.00           N
+ATOM     29  CA  ASN     4       4.842   1.283  -1.568  1.00  1.00           C
+ATOM     30  C   ASN     4       3.653   2.016  -2.192  1.00  1.00           C
+ATOM     31  O   ASN     4       3.804   2.712  -3.194  1.00  1.00           O
+ATOM     36  H   ASN     4       6.518   2.118  -0.655  1.00  1.00           H
+ATOM     37  HA  ASN     4       5.597   1.011  -2.305  1.00  1.00           H
+ATOM     32  CB  ASN     4       4.310   0.042  -0.851  1.00  1.00           C
+ATOM     33  CG  ASN     4       4.066   0.326   0.632  1.00  1.00           C
+ATOM     34  OD1 ASN     4       4.955   0.721   1.369  1.00  1.00           O
+ATOM     35  ND2 ASN     4       2.816   0.102   1.027  1.00  1.00           N
+ATOM     38  HB2 ASN     4       3.380  -0.284  -1.321  1.00  1.00           H
+ATOM     39  HB3 ASN     4       5.023  -0.777  -0.955  1.00  1.00           H
+ATOM     40 HD21 ASN     4       2.134  -0.223   0.371  1.00  1.00           H
+ATOM     41 HD22 ASN     4       2.558   0.259   1.981  1.00  1.00           H
+ATOM     42  N   SER     5       2.495   1.833  -1.574  1.00  1.00           N
+ATOM     43  CA  SER     5       1.280   2.466  -2.055  1.00  1.00           C
+ATOM     44  C   SER     5       0.520   3.097  -0.887  1.00  1.00           C
+ATOM     45  O   SER     5       0.704   2.702   0.264  1.00  1.00           O
+ATOM     48  H   SER     5       2.380   1.263  -0.759  1.00  1.00           H
+ATOM     49  HA  SER     5       1.613   3.234  -2.754  1.00  1.00           H
+ATOM     46  CB  SER     5       0.388   1.463  -2.789  1.00  1.00           C
+ATOM     47  OG  SER     5      -0.374   0.667  -1.885  1.00  1.00           O
+ATOM     50  HB2 SER     5      -0.286   1.998  -3.459  1.00  1.00           H
+ATOM     51  HB3 SER     5       1.006   0.814  -3.411  1.00  1.00           H
+ATOM     52  HG  SER     5      -0.011   0.758  -0.958  1.00  1.00           H
+ATOM     53  N   LEU     6      -0.318   4.067  -1.223  1.00  1.00           N
+ATOM     54  CA  LEU     6      -1.107   4.756  -0.216  1.00  1.00           C
+ATOM     55  C   LEU     6      -2.208   5.567  -0.903  1.00  1.00           C
+ATOM     56  O   LEU     6      -2.222   5.688  -2.126  1.00  1.00           O
+ATOM     61  H   LEU     6      -0.463   4.382  -2.161  1.00  1.00           H
+ATOM     62  HA  LEU     6      -1.577   3.996   0.408  1.00  1.00           H
+ATOM     57  CB  LEU     6      -0.205   5.591   0.693  1.00  1.00           C
+ATOM     58  CG  LEU     6       0.649   6.654  -0.002  1.00  1.00           C
+ATOM     59  CD1 LEU     6       1.034   7.770   0.970  1.00  1.00           C
+ATOM     60  CD2 LEU     6       1.874   6.026  -0.667  1.00  1.00           C
+ATOM     63  HB2 LEU     6      -0.828   6.084   1.439  1.00  1.00           H
+ATOM     64  HB3 LEU     6       0.461   4.915   1.231  1.00  1.00           H
+ATOM     65  HG  LEU     6       0.051   7.109  -0.792  1.00  1.00           H
+ATOM     66 HD11 LEU     6       0.226   7.924   1.686  1.00  1.00           H
+ATOM     67 HD12 LEU     6       1.943   7.491   1.503  1.00  1.00           H
+ATOM     68 HD13 LEU     6       1.208   8.692   0.415  1.00  1.00           H
+ATOM     69 HD21 LEU     6       2.102   5.075  -0.185  1.00  1.00           H
+ATOM     70 HD22 LEU     6       1.668   5.856  -1.724  1.00  1.00           H
+ATOM     71 HD23 LEU     6       2.727   6.697  -0.566  1.00  1.00           H
+ATOM     72  N   GLU     7      -3.100   6.104  -0.085  1.00  1.00           N
+ATOM     73  CA  GLU     7      -4.202   6.901  -0.600  1.00  1.00           C
+ATOM     74  C   GLU     7      -3.703   8.281  -1.029  1.00  1.00           C
+ATOM     75  O   GLU     7      -4.080   9.293  -0.440  1.00  1.00           O
+ATOM     81  H   GLU     7      -3.082   6.001   0.909  1.00  1.00           H
+ATOM     82  HA  GLU     7      -4.574   6.355  -1.466  1.00  1.00           H
+ATOM     76  CB  GLU     7      -5.322   7.021   0.435  1.00  1.00           C
+ATOM     77  CG  GLU     7      -6.601   6.337  -0.057  1.00  1.00           C
+ATOM     78  CD  GLU     7      -7.653   6.280   1.051  1.00  1.00           C
+ATOM     79  OE1 GLU     7      -8.164   7.419   1.378  1.00  1.00           O
+ATOM     80  OE2 GLU     7      -7.955   5.192   1.564  1.00  1.00           O
+ATOM     83  HB2 GLU     7      -5.004   6.570   1.375  1.00  1.00           H
+ATOM     84  HB3 GLU     7      -5.523   8.072   0.639  1.00  1.00           H
+ATOM     85  HG2 GLU     7      -6.999   6.879  -0.915  1.00  1.00           H
+ATOM     86  HG3 GLU     7      -6.368   5.328  -0.396  1.00  1.00           H
+ATOM     87  N   LYS     8      -2.861   8.280  -2.052  1.00  1.00           N
+ATOM     88  CA  LYS     8      -2.307   9.519  -2.568  1.00  1.00           C
+ATOM     89  C   LYS     8      -3.434  10.534  -2.768  1.00  1.00           C
+ATOM     90  O   LYS     8      -3.808  11.245  -1.836  1.00  1.00           O
+ATOM     96  H   LYS     8      -2.560   7.451  -2.525  1.00  1.00           H
+ATOM     97  HA  LYS     8      -1.622   9.908  -1.815  1.00  1.00           H
+ATOM     91  CB  LYS     8      -1.486   9.255  -3.831  1.00  1.00           C
+ATOM     92  CG  LYS     8      -1.098  10.566  -4.518  1.00  1.00           C
+ATOM     93  CD  LYS     8      -0.546  11.572  -3.507  1.00  1.00           C
+ATOM     94  CE  LYS     8       0.820  11.125  -2.980  1.00  1.00           C
+ATOM     95  NZ  LYS     8       0.657  10.118  -1.907  1.00  1.00           N
+ATOM     98  HB2 LYS     8      -0.586   8.695  -3.575  1.00  1.00           H
+ATOM     99  HB3 LYS     8      -2.061   8.636  -4.521  1.00  1.00           H
+ATOM    100  HG2 LYS     8      -0.352  10.370  -5.288  1.00  1.00           H
+ATOM    101  HG3 LYS     8      -1.969  10.989  -5.019  1.00  1.00           H
+ATOM    102  HD2 LYS     8      -0.454  12.552  -3.976  1.00  1.00           H
+ATOM    103  HD3 LYS     8      -1.243  11.679  -2.677  1.00  1.00           H
+ATOM    104  HE2 LYS     8       1.410  10.705  -3.794  1.00  1.00           H
+ATOM    105  HE3 LYS     8       1.369  11.986  -2.599  1.00  1.00           H
+ATOM    106  HZ1 LYS     8       0.025   9.394  -2.217  1.00  1.00           H
+ATOM    107  HZ2 LYS     8       1.538   9.684  -1.657  1.00  1.00           H
+ATOM    108  HZ3 LYS     8       0.281  10.564  -1.083  1.00  1.00           H
+ATOM    109  N   HIS     9      -3.945  10.569  -3.990  1.00  1.00           N
+ATOM    110  CA  HIS     9      -5.023  11.485  -4.325  1.00  1.00           C
+ATOM    111  C   HIS     9      -6.337  10.710  -4.441  1.00  1.00           C
+ATOM    112  O   HIS     9      -6.387   9.517  -4.144  1.00  1.00           O
+ATOM    119  H   HIS     9      -3.635   9.988  -4.743  1.00  1.00           H
+ATOM    120  HA  HIS     9      -5.100  12.192  -3.499  1.00  1.00           H
+ATOM    113  CB  HIS     9      -4.689  12.277  -5.589  1.00  1.00           C
+ATOM    114  CG  HIS     9      -3.499  13.197  -5.442  1.00  1.00           C
+ATOM    115  ND1 HIS     9      -2.829  13.368  -4.244  1.00  1.00           N
+ATOM    116  CD2 HIS     9      -2.868  13.990  -6.354  1.00  1.00           C
+ATOM    117  CE1 HIS     9      -1.841  14.228  -4.437  1.00  1.00           C
+ATOM    118  NE2 HIS     9      -1.867  14.614  -5.745  1.00  1.00           N
+ATOM    121  HB2 HIS     9      -4.498  11.580  -6.404  1.00  1.00           H
+ATOM    122  HB3 HIS     9      -5.558  12.869  -5.875  1.00  1.00           H
+ATOM    123  HD1 HIS     9      -3.052  12.918  -3.378  1.00  1.00           H
+ATOM    124  HD2 HIS     9      -3.140  14.094  -7.405  1.00  1.00           H
+ATOM    125  HE1 HIS     9      -1.131  14.571  -3.684  1.00  1.00           H
+ATOM    126  N   SER    10      -7.369  11.419  -4.872  1.00  1.00           N
+ATOM    127  CA  SER    10      -8.680  10.814  -5.031  1.00  1.00           C
+ATOM    128  C   SER    10      -8.734  10.018  -6.337  1.00  1.00           C
+ATOM    129  O   SER    10      -9.802   9.563  -6.746  1.00  1.00           O
+ATOM    132  H   SER    10      -7.321  12.389  -5.111  1.00  1.00           H
+ATOM    133  HA  SER    10      -8.798  10.150  -4.173  1.00  1.00           H
+ATOM    130  CB  SER    10      -9.784  11.873  -5.008  1.00  1.00           C
+ATOM    131  OG  SER    10      -9.642  12.813  -6.070  1.00  1.00           O
+ATOM    134  HB2 SER    10     -10.756  11.386  -5.083  1.00  1.00           H
+ATOM    135  HB3 SER    10      -9.763  12.398  -4.055  1.00  1.00           H
+ATOM    136  HG  SER    10     -10.527  12.975  -6.505  1.00  1.00           H
+ATOM    137  N   TRP    11      -7.571   9.874  -6.953  1.00  1.00           N
+ATOM    138  CA  TRP    11      -7.472   9.141  -8.204  1.00  1.00           C
+ATOM    139  C   TRP    11      -6.454   8.015  -8.013  1.00  1.00           C
+ATOM    140  O   TRP    11      -6.213   7.229  -8.928  1.00  1.00           O
+ATOM    151  H   TRP    11      -6.708  10.247  -6.612  1.00  1.00           H
+ATOM    152  HA  TRP    11      -8.454   8.722  -8.423  1.00  1.00           H
+ATOM    141  CB  TRP    11      -7.118  10.077  -9.361  1.00  1.00           C
+ATOM    142  CG  TRP    11      -5.972  11.042  -9.053  1.00  1.00           C
+ATOM    143  CD1 TRP    11      -6.033  12.371  -8.891  1.00  1.00           C
+ATOM    144  CD2 TRP    11      -4.582  10.697  -8.877  1.00  1.00           C
+ATOM    145  NE1 TRP    11      -4.789  12.905  -8.624  1.00  1.00           N
+ATOM    146  CE2 TRP    11      -3.879  11.855  -8.614  1.00  1.00           C
+ATOM    147  CE3 TRP    11      -3.941   9.447  -8.936  1.00  1.00           C
+ATOM    148  CZ2 TRP    11      -2.497  11.879  -8.391  1.00  1.00           C
+ATOM    149  CZ3 TRP    11      -2.559   9.488  -8.710  1.00  1.00           C
+ATOM    150  CH2 TRP    11      -1.836  10.644  -8.445  1.00  1.00           C
+ATOM    153  HB2 TRP    11      -6.851   9.476 -10.231  1.00  1.00           H
+ATOM    154  HB3 TRP    11      -8.003  10.653  -9.631  1.00  1.00           H
+ATOM    155  HD1 TRP    11      -6.950  12.956  -8.962  1.00  1.00           H
+ATOM    156  HE1 TRP    11      -4.562  13.957  -8.452  1.00  1.00           H
+ATOM    157  HE3 TRP    11      -4.472   8.518  -9.141  1.00  1.00           H
+ATOM    158  HZ2 TRP    11      -1.964  12.807  -8.186  1.00  1.00           H
+ATOM    159  HZ3 TRP    11      -2.011   8.546  -8.744  1.00  1.00           H
+ATOM    160  HH2 TRP    11      -0.761  10.593  -8.279  1.00  1.00           H
+ATOM    161  N   TYR    12      -5.884   7.973  -6.818  1.00  1.00           N
+ATOM    162  CA  TYR    12      -4.896   6.955  -6.495  1.00  1.00           C
+ATOM    163  C   TYR    12      -5.421   6.005  -5.418  1.00  1.00           C
+ATOM    164  O   TYR    12      -5.271   6.270  -4.226  1.00  1.00           O
+ATOM    173  H   TYR    12      -6.085   8.615  -6.079  1.00  1.00           H
+ATOM    174  HA  TYR    12      -4.690   6.387  -7.403  1.00  1.00           H
+ATOM    165  CB  TYR    12      -3.680   7.706  -5.949  1.00  1.00           C
+ATOM    166  CG  TYR    12      -2.353   6.970  -6.144  1.00  1.00           C
+ATOM    167  CD1 TYR    12      -2.304   5.596  -6.023  1.00  1.00           C
+ATOM    168  CD2 TYR    12      -1.208   7.678  -6.442  1.00  1.00           C
+ATOM    169  CE1 TYR    12      -1.056   4.901  -6.205  1.00  1.00           C
+ATOM    170  CE2 TYR    12       0.040   6.983  -6.626  1.00  1.00           C
+ATOM    171  CZ  TYR    12       0.054   5.629  -6.498  1.00  1.00           C
+ATOM    172  OH  TYR    12       1.234   4.973  -6.672  1.00  1.00           O
+ATOM    175  HB2 TYR    12      -3.617   8.681  -6.436  1.00  1.00           H
+ATOM    176  HB3 TYR    12      -3.828   7.891  -4.885  1.00  1.00           H
+ATOM    177  HD1 TYR    12      -3.209   5.035  -5.787  1.00  1.00           H
+ATOM    178  HD2 TYR    12      -1.247   8.763  -6.538  1.00  1.00           H
+ATOM    179  HE1 TYR    12      -1.003   3.817  -6.112  1.00  1.00           H
+ATOM    180  HE2 TYR    12       0.953   7.530  -6.861  1.00  1.00           H
+ATOM    181  HH  TYR    12       1.063   4.006  -6.855  1.00  1.00           H
+ATOM    182  N   HIS    13      -6.023   4.918  -5.876  1.00  1.00           N
+ATOM    183  CA  HIS    13      -6.570   3.926  -4.966  1.00  1.00           C
+ATOM    184  C   HIS    13      -5.945   2.561  -5.259  1.00  1.00           C
+ATOM    185  O   HIS    13      -6.196   1.593  -4.541  1.00  1.00           O
+ATOM    192  H   HIS    13      -6.142   4.710  -6.847  1.00  1.00           H
+ATOM    193  HA  HIS    13      -6.290   4.236  -3.959  1.00  1.00           H
+ATOM    186  CB  HIS    13      -8.100   3.907  -5.038  1.00  1.00           C
+ATOM    187  CG  HIS    13      -8.645   3.601  -6.413  1.00  1.00           C
+ATOM    188  ND1 HIS    13      -9.151   2.360  -6.759  1.00  1.00           N
+ATOM    189  CD2 HIS    13      -8.760   4.387  -7.522  1.00  1.00           C
+ATOM    190  CE1 HIS    13      -9.548   2.408  -8.023  1.00  1.00           C
+ATOM    191  NE2 HIS    13      -9.304   3.665  -8.494  1.00  1.00           N
+ATOM    194  HB2 HIS    13      -8.476   3.165  -4.335  1.00  1.00           H
+ATOM    195  HB3 HIS    13      -8.481   4.876  -4.715  1.00  1.00           H
+ATOM    196  HD1 HIS    13      -9.207   1.563  -6.159  1.00  1.00           H
+ATOM    197  HD2 HIS    13      -8.455   5.431  -7.597  1.00  1.00           H
+ATOM    198  HE1 HIS    13      -9.992   1.588  -8.586  1.00  1.00           H
+ATOM    199  N   GLY    14      -5.146   2.526  -6.314  1.00  1.00           N
+ATOM    200  CA  GLY    14      -4.483   1.295  -6.710  1.00  1.00           C
+ATOM    201  C   GLY    14      -4.730   0.992  -8.190  1.00  1.00           C
+ATOM    202  O   GLY    14      -5.206   1.849  -8.931  1.00  1.00           O
+ATOM    203  H   GLY    14      -4.948   3.318  -6.891  1.00  1.00           H
+ATOM    204  HA2 GLY    14      -3.412   1.380  -6.526  1.00  1.00           H
+ATOM    205  HA3 GLY    14      -4.846   0.469  -6.100  1.00  1.00           H
+ATOM    206  N   PRO    15      -4.387  -0.264  -8.583  1.00  1.00           N
+ATOM    207  CA  PRO    15      -4.565  -0.692  -9.960  1.00  1.00           C
+ATOM    208  C   PRO    15      -6.041  -0.963 -10.262  1.00  1.00           C
+ATOM    209  O   PRO    15      -6.715  -1.662  -9.506  1.00  1.00           O
+ATOM    213  HA  PRO    15      -4.287   0.034 -10.588  1.00  1.00           H
+ATOM    210  CB  PRO    15      -3.694  -1.928 -10.105  1.00  1.00           C
+ATOM    211  CG  PRO    15      -3.423  -2.415  -8.691  1.00  1.00           C
+ATOM    212  CD  PRO    15      -3.820  -1.306  -7.731  1.00  1.00           C
+ATOM    214  HB2 PRO    15      -4.196  -2.694 -10.694  1.00  1.00           H
+ATOM    215  HB3 PRO    15      -2.762  -1.690 -10.621  1.00  1.00           H
+ATOM    216  HG2 PRO    15      -3.994  -3.322  -8.485  1.00  1.00           H
+ATOM    217  HG3 PRO    15      -2.369  -2.667  -8.569  1.00  1.00           H
+ATOM    218  HD2 PRO    15      -4.548  -1.658  -6.999  1.00  1.00           H
+ATOM    219  HD3 PRO    15      -2.960  -0.937  -7.174  1.00  1.00           H
+ATOM    220  N   VAL    16      -6.501  -0.397 -11.368  1.00  1.00           N
+ATOM    221  CA  VAL    16      -7.883  -0.568 -11.780  1.00  1.00           C
+ATOM    222  C   VAL    16      -7.921  -1.121 -13.205  1.00  1.00           C
+ATOM    223  O   VAL    16      -7.208  -0.637 -14.082  1.00  1.00           O
+ATOM    227  H   VAL    16      -5.944   0.171 -11.976  1.00  1.00           H
+ATOM    228  HA  VAL    16      -8.337  -1.297 -11.108  1.00  1.00           H
+ATOM    224  CB  VAL    16      -8.641   0.752 -11.630  1.00  1.00           C
+ATOM    225  CG1 VAL    16      -8.072   1.821 -12.563  1.00  1.00           C
+ATOM    226  CG2 VAL    16     -10.139   0.554 -11.871  1.00  1.00           C
+ATOM    229  HB  VAL    16      -8.510   1.099 -10.605  1.00  1.00           H
+ATOM    230 HG11 VAL    16      -7.860   1.378 -13.537  1.00  1.00           H
+ATOM    231 HG12 VAL    16      -8.798   2.625 -12.681  1.00  1.00           H
+ATOM    232 HG13 VAL    16      -7.151   2.222 -12.139  1.00  1.00           H
+ATOM    233 HG21 VAL    16     -10.419  -0.464 -11.601  1.00  1.00           H
+ATOM    234 HG22 VAL    16     -10.702   1.259 -11.260  1.00  1.00           H
+ATOM    235 HG23 VAL    16     -10.363   0.727 -12.924  1.00  1.00           H
+ATOM    236  N   SER    17      -8.762  -2.127 -13.393  1.00  1.00           N
+ATOM    237  CA  SER    17      -8.903  -2.751 -14.697  1.00  1.00           C
+ATOM    238  C   SER    17      -9.495  -1.753 -15.693  1.00  1.00           C
+ATOM    239  O   SER    17     -10.416  -1.008 -15.359  1.00  1.00           O
+ATOM    242  H   SER    17      -9.340  -2.516 -12.675  1.00  1.00           H
+ATOM    243  HA  SER    17      -7.892  -3.034 -14.993  1.00  1.00           H
+ATOM    240  CB  SER    17      -9.778  -4.004 -14.617  1.00  1.00           C
+ATOM    241  OG  SER    17     -10.934  -3.798 -13.810  1.00  1.00           O
+ATOM    244  HB2 SER    17     -10.086  -4.297 -15.621  1.00  1.00           H
+ATOM    245  HB3 SER    17      -9.195  -4.829 -14.209  1.00  1.00           H
+ATOM    246  HG  SER    17     -11.029  -2.825 -13.591  1.00  1.00           H
+ATOM    247  N   ARG    18      -8.944  -1.770 -16.897  1.00  1.00           N
+ATOM    248  CA  ARG    18      -9.406  -0.874 -17.946  1.00  1.00           C
+ATOM    249  C   ARG    18     -10.842  -1.220 -18.343  1.00  1.00           C
+ATOM    250  O   ARG    18     -11.651  -0.328 -18.602  1.00  1.00           O
+ATOM    258  H   ARG    18      -8.195  -2.378 -17.163  1.00  1.00           H
+ATOM    259  HA  ARG    18      -9.350   0.121 -17.507  1.00  1.00           H
+ATOM    251  CB  ARG    18      -8.508  -0.963 -19.181  1.00  1.00           C
+ATOM    252  CG  ARG    18      -9.194  -1.742 -20.305  1.00  1.00           C
+ATOM    253  CD  ARG    18      -8.273  -1.881 -21.517  1.00  1.00           C
+ATOM    254  NE  ARG    18      -9.076  -2.089 -22.742  1.00  1.00           N
+ATOM    255  CZ  ARG    18      -9.269  -3.282 -23.321  1.00  1.00           C
+ATOM    256  NH1 ARG    18      -8.717  -4.382 -22.790  1.00  1.00           N
+ATOM    257  NH2 ARG    18     -10.014  -3.376 -24.432  1.00  1.00           N
+ATOM    260  HB2 ARG    18      -8.261   0.042 -19.528  1.00  1.00           H
+ATOM    261  HB3 ARG    18      -7.569  -1.448 -18.918  1.00  1.00           H
+ATOM    262  HG2 ARG    18      -9.479  -2.729 -19.944  1.00  1.00           H
+ATOM    263  HG3 ARG    18     -10.112  -1.232 -20.598  1.00  1.00           H
+ATOM    264  HD2 ARG    18      -7.658  -0.987 -21.623  1.00  1.00           H
+ATOM    265  HD3 ARG    18      -7.592  -2.720 -21.373  1.00  1.00           H
+ATOM    266  HE  ARG    18      -9.503  -1.289 -23.165  1.00  1.00           H
+ATOM    267 HH11 ARG    18      -8.161  -4.311 -21.961  1.00  1.00           H
+ATOM    268 HH12 ARG    18      -8.860  -5.272 -23.221  1.00  1.00           H
+ATOM    269 HH21 ARG    18     -10.425  -2.555 -24.828  1.00  1.00           H
+ATOM    270 HH22 ARG    18     -10.157  -4.266 -24.863  1.00  1.00           H
+ATOM    271  N   ASN    19     -11.118  -2.516 -18.377  1.00  1.00           N
+ATOM    272  CA  ASN    19     -12.444  -2.990 -18.739  1.00  1.00           C
+ATOM    273  C   ASN    19     -13.471  -2.404 -17.768  1.00  1.00           C
+ATOM    274  O   ASN    19     -14.324  -1.611 -18.166  1.00  1.00           O
+ATOM    279  H   ASN    19     -10.456  -3.233 -18.165  1.00  1.00           H
+ATOM    280  HA  ASN    19     -12.598  -2.653 -19.764  1.00  1.00           H
+ATOM    275  CB  ASN    19     -12.526  -4.515 -18.651  1.00  1.00           C
+ATOM    276  CG  ASN    19     -11.948  -5.168 -19.908  1.00  1.00           C
+ATOM    277  OD1 ASN    19     -12.501  -5.084 -20.992  1.00  1.00           O
+ATOM    278  ND2 ASN    19     -10.808  -5.821 -19.702  1.00  1.00           N
+ATOM    281  HB2 ASN    19     -11.981  -4.861 -17.773  1.00  1.00           H
+ATOM    282  HB3 ASN    19     -13.565  -4.820 -18.523  1.00  1.00           H
+ATOM    283 HD21 ASN    19     -10.407  -5.852 -18.786  1.00  1.00           H
+ATOM    284 HD22 ASN    19     -10.352  -6.282 -20.463  1.00  1.00           H
+ATOM    285  N   ALA    20     -13.358  -2.818 -16.515  1.00  1.00           N
+ATOM    286  CA  ALA    20     -14.267  -2.345 -15.485  1.00  1.00           C
+ATOM    287  C   ALA    20     -14.209  -0.816 -15.423  1.00  1.00           C
+ATOM    288  O   ALA    20     -15.212  -0.165 -15.133  1.00  1.00           O
+ATOM    290  H   ALA    20     -12.663  -3.463 -16.200  1.00  1.00           H
+ATOM    291  HA  ALA    20     -15.276  -2.650 -15.766  1.00  1.00           H
+ATOM    289  CB  ALA    20     -13.910  -2.996 -14.148  1.00  1.00           C
+ATOM    292  HB1 ALA    20     -13.043  -3.646 -14.282  1.00  1.00           H
+ATOM    293  HB2 ALA    20     -13.673  -2.222 -13.418  1.00  1.00           H
+ATOM    294  HB3 ALA    20     -14.755  -3.586 -13.794  1.00  1.00           H
+ATOM    295  N   ALA    21     -13.025  -0.289 -15.700  1.00  1.00           N
+ATOM    296  CA  ALA    21     -12.823   1.150 -15.679  1.00  1.00           C
+ATOM    297  C   ALA    21     -13.917   1.826 -16.506  1.00  1.00           C
+ATOM    298  O   ALA    21     -14.728   2.582 -15.972  1.00  1.00           O
+ATOM    300  H   ALA    21     -12.215  -0.826 -15.934  1.00  1.00           H
+ATOM    301  HA  ALA    21     -12.905   1.481 -14.643  1.00  1.00           H
+ATOM    299  CB  ALA    21     -11.420   1.476 -16.191  1.00  1.00           C
+ATOM    302  HB1 ALA    21     -11.018   0.612 -16.721  1.00  1.00           H
+ATOM    303  HB2 ALA    21     -11.469   2.328 -16.868  1.00  1.00           H
+ATOM    304  HB3 ALA    21     -10.772   1.718 -15.348  1.00  1.00           H
+ATOM    305  N   GLU    22     -13.907   1.529 -17.797  1.00  1.00           N
+ATOM    306  CA  GLU    22     -14.890   2.100 -18.704  1.00  1.00           C
+ATOM    307  C   GLU    22     -16.303   1.698 -18.277  1.00  1.00           C
+ATOM    308  O   GLU    22     -17.244   2.473 -18.430  1.00  1.00           O
+ATOM    314  H   GLU    22     -13.246   0.913 -18.225  1.00  1.00           H
+ATOM    315  HA  GLU    22     -14.769   3.178 -18.620  1.00  1.00           H
+ATOM    309  CB  GLU    22     -14.612   1.676 -20.149  1.00  1.00           C
+ATOM    310  CG  GLU    22     -13.424   0.715 -20.220  1.00  1.00           C
+ATOM    311  CD  GLU    22     -13.160   0.276 -21.662  1.00  1.00           C
+ATOM    312  OE1 GLU    22     -14.150   0.194 -22.421  1.00  1.00           O
+ATOM    313  OE2 GLU    22     -11.974   0.035 -21.973  1.00  1.00           O
+ATOM    316  HB2 GLU    22     -15.498   1.198 -20.567  1.00  1.00           H
+ATOM    317  HB3 GLU    22     -14.409   2.558 -20.757  1.00  1.00           H
+ATOM    318  HG2 GLU    22     -12.535   1.199 -19.814  1.00  1.00           H
+ATOM    319  HG3 GLU    22     -13.623  -0.160 -19.601  1.00  1.00           H
+ATOM    320  N   TYR    23     -16.406   0.487 -17.751  1.00  1.00           N
+ATOM    321  CA  TYR    23     -17.688  -0.027 -17.299  1.00  1.00           C
+ATOM    322  C   TYR    23     -18.210   0.772 -16.104  1.00  1.00           C
+ATOM    323  O   TYR    23     -19.190   1.506 -16.222  1.00  1.00           O
+ATOM    332  H   TYR    23     -15.635  -0.138 -17.630  1.00  1.00           H
+ATOM    333  HA  TYR    23     -18.396   0.064 -18.124  1.00  1.00           H
+ATOM    324  CB  TYR    23     -17.434  -1.471 -16.861  1.00  1.00           C
+ATOM    325  CG  TYR    23     -18.695  -2.220 -16.426  1.00  1.00           C
+ATOM    326  CD1 TYR    23     -19.215  -2.021 -15.163  1.00  1.00           C
+ATOM    327  CD2 TYR    23     -19.312  -3.095 -17.297  1.00  1.00           C
+ATOM    328  CE1 TYR    23     -20.401  -2.727 -14.753  1.00  1.00           C
+ATOM    329  CE2 TYR    23     -20.500  -3.800 -16.888  1.00  1.00           C
+ATOM    330  CZ  TYR    23     -20.985  -3.581 -15.637  1.00  1.00           C
+ATOM    331  OH  TYR    23     -22.105  -4.248 -15.249  1.00  1.00           O
+ATOM    334  HB2 TYR    23     -16.967  -2.013 -17.684  1.00  1.00           H
+ATOM    335  HB3 TYR    23     -16.722  -1.468 -16.036  1.00  1.00           H
+ATOM    336  HD1 TYR    23     -18.726  -1.331 -14.476  1.00  1.00           H
+ATOM    337  HD2 TYR    23     -18.902  -3.252 -18.294  1.00  1.00           H
+ATOM    338  HE1 TYR    23     -20.822  -2.580 -13.759  1.00  1.00           H
+ATOM    339  HE2 TYR    23     -20.997  -4.493 -17.565  1.00  1.00           H
+ATOM    340  HH  TYR    23     -22.117  -5.162 -15.654  1.00  1.00           H
+ATOM    341  N   LEU    24     -17.530   0.605 -14.980  1.00  1.00           N
+ATOM    342  CA  LEU    24     -17.912   1.301 -13.762  1.00  1.00           C
+ATOM    343  C   LEU    24     -18.207   2.765 -14.091  1.00  1.00           C
+ATOM    344  O   LEU    24     -19.259   3.288 -13.724  1.00  1.00           O
+ATOM    349  H   LEU    24     -16.733   0.006 -14.892  1.00  1.00           H
+ATOM    350  HA  LEU    24     -18.827   0.838 -13.395  1.00  1.00           H
+ATOM    345  CB  LEU    24     -16.845   1.116 -12.681  1.00  1.00           C
+ATOM    346  CG  LEU    24     -17.362   0.931 -11.253  1.00  1.00           C
+ATOM    347  CD1 LEU    24     -16.224   0.557 -10.302  1.00  1.00           C
+ATOM    348  CD2 LEU    24     -18.121   2.172 -10.780  1.00  1.00           C
+ATOM    351  HB2 LEU    24     -16.238   0.249 -12.942  1.00  1.00           H
+ATOM    352  HB3 LEU    24     -16.184   1.983 -12.698  1.00  1.00           H
+ATOM    353  HG  LEU    24     -18.069   0.102 -11.251  1.00  1.00           H
+ATOM    354 HD11 LEU    24     -15.302   1.037 -10.633  1.00  1.00           H
+ATOM    355 HD12 LEU    24     -16.468   0.894  -9.293  1.00  1.00           H
+ATOM    356 HD13 LEU    24     -16.091  -0.524 -10.302  1.00  1.00           H
+ATOM    357 HD21 LEU    24     -17.529   3.063 -10.993  1.00  1.00           H
+ATOM    358 HD22 LEU    24     -19.075   2.236 -11.303  1.00  1.00           H
+ATOM    359 HD23 LEU    24     -18.298   2.103  -9.707  1.00  1.00           H
+ATOM    360  N   LEU    25     -17.260   3.389 -14.777  1.00  1.00           N
+ATOM    361  CA  LEU    25     -17.406   4.783 -15.158  1.00  1.00           C
+ATOM    362  C   LEU    25     -18.544   4.914 -16.172  1.00  1.00           C
+ATOM    363  O   LEU    25     -18.301   5.113 -17.361  1.00  1.00           O
+ATOM    368  H   LEU    25     -16.407   2.956 -15.071  1.00  1.00           H
+ATOM    369  HA  LEU    25     -17.675   5.340 -14.261  1.00  1.00           H
+ATOM    364  CB  LEU    25     -16.072   5.344 -15.656  1.00  1.00           C
+ATOM    365  CG  LEU    25     -16.150   6.638 -16.468  1.00  1.00           C
+ATOM    366  CD1 LEU    25     -15.304   7.740 -15.829  1.00  1.00           C
+ATOM    367  CD2 LEU    25     -15.763   6.391 -17.929  1.00  1.00           C
+ATOM    370  HB2 LEU    25     -15.430   5.520 -14.792  1.00  1.00           H
+ATOM    371  HB3 LEU    25     -15.584   4.584 -16.264  1.00  1.00           H
+ATOM    372  HG  LEU    25     -17.185   6.981 -16.465  1.00  1.00           H
+ATOM    373 HD11 LEU    25     -14.676   7.310 -15.049  1.00  1.00           H
+ATOM    374 HD12 LEU    25     -14.673   8.201 -16.590  1.00  1.00           H
+ATOM    375 HD13 LEU    25     -15.959   8.495 -15.394  1.00  1.00           H
+ATOM    376 HD21 LEU    25     -15.591   5.325 -18.084  1.00  1.00           H
+ATOM    377 HD22 LEU    25     -16.569   6.729 -18.580  1.00  1.00           H
+ATOM    378 HD23 LEU    25     -14.851   6.943 -18.161  1.00  1.00           H
+ATOM    379  N   SER    26     -19.762   4.796 -15.665  1.00  1.00           N
+ATOM    380  CA  SER    26     -20.938   4.899 -16.510  1.00  1.00           C
+ATOM    381  C   SER    26     -21.521   6.312 -16.429  1.00  1.00           C
+ATOM    382  O   SER    26     -22.177   6.660 -15.450  1.00  1.00           O
+ATOM    385  H   SER    26     -19.951   4.635 -14.696  1.00  1.00           H
+ATOM    386  HA  SER    26     -20.587   4.688 -17.521  1.00  1.00           H
+ATOM    383  CB  SER    26     -21.995   3.867 -16.113  1.00  1.00           C
+ATOM    384  OG  SER    26     -23.056   3.796 -17.061  1.00  1.00           O
+ATOM    387  HB2 SER    26     -21.527   2.886 -16.019  1.00  1.00           H
+ATOM    388  HB3 SER    26     -22.400   4.121 -15.133  1.00  1.00           H
+ATOM    389  HG  SER    26     -22.951   2.984 -17.633  1.00  1.00           H
+ATOM    390  N   SER    27     -21.257   7.087 -17.471  1.00  1.00           N
+ATOM    391  CA  SER    27     -21.746   8.454 -17.529  1.00  1.00           C
+ATOM    392  C   SER    27     -21.117   9.283 -16.407  1.00  1.00           C
+ATOM    393  O   SER    27     -20.059   9.883 -16.594  1.00  1.00           O
+ATOM    396  H   SER    27     -20.721   6.795 -18.263  1.00  1.00           H
+ATOM    397  HA  SER    27     -21.436   8.830 -18.504  1.00  1.00           H
+ATOM    394  CB  SER    27     -23.272   8.497 -17.429  1.00  1.00           C
+ATOM    395  OG  SER    27     -23.762   9.831 -17.309  1.00  1.00           O
+ATOM    398  HB2 SER    27     -23.707   8.029 -18.312  1.00  1.00           H
+ATOM    399  HB3 SER    27     -23.595   7.914 -16.567  1.00  1.00           H
+ATOM    400  HG  SER    27     -23.246  10.323 -16.609  1.00  1.00           H
+ATOM    401  N   GLY    28     -21.794   9.290 -15.269  1.00  1.00           N
+ATOM    402  CA  GLY    28     -21.314  10.037 -14.118  1.00  1.00           C
+ATOM    403  C   GLY    28     -21.032  11.495 -14.488  1.00  1.00           C
+ATOM    404  O   GLY    28     -21.948  12.314 -14.535  1.00  1.00           O
+ATOM    405  H   GLY    28     -22.652   8.800 -15.126  1.00  1.00           H
+ATOM    406  HA2 GLY    28     -22.055   9.996 -13.320  1.00  1.00           H
+ATOM    407  HA3 GLY    28     -20.405   9.572 -13.734  1.00  1.00           H
+ATOM    408  N   ILE    29     -19.761  11.772 -14.741  1.00  1.00           N
+ATOM    409  CA  ILE    29     -19.347  13.116 -15.106  1.00  1.00           C
+ATOM    410  C   ILE    29     -18.920  13.133 -16.574  1.00  1.00           C
+ATOM    411  O   ILE    29     -18.497  12.111 -17.113  1.00  1.00           O
+ATOM    416  H   ILE    29     -19.023  11.099 -14.702  1.00  1.00           H
+ATOM    417  HA  ILE    29     -20.213  13.767 -14.991  1.00  1.00           H
+ATOM    412  CB  ILE    29     -18.270  13.623 -14.145  1.00  1.00           C
+ATOM    413  CG1 ILE    29     -17.819  12.516 -13.191  1.00  1.00           C
+ATOM    414  CG2 ILE    29     -18.747  14.868 -13.394  1.00  1.00           C
+ATOM    415  CD1 ILE    29     -16.777  13.036 -12.200  1.00  1.00           C
+ATOM    418  HB  ILE    29     -17.400  13.916 -14.732  1.00  1.00           H
+ATOM    419 HG12 ILE    29     -18.682  12.127 -12.648  1.00  1.00           H
+ATOM    420 HG13 ILE    29     -17.402  11.687 -13.762  1.00  1.00           H
+ATOM    421 HG21 ILE    29     -19.782  15.082 -13.664  1.00  1.00           H
+ATOM    422 HG22 ILE    29     -18.680  14.692 -12.320  1.00  1.00           H
+ATOM    423 HG23 ILE    29     -18.119  15.718 -13.664  1.00  1.00           H
+ATOM    424 HD11 ILE    29     -16.050  13.653 -12.728  1.00  1.00           H
+ATOM    425 HD12 ILE    29     -17.270  13.632 -11.432  1.00  1.00           H
+ATOM    426 HD13 ILE    29     -16.266  12.192 -11.733  1.00  1.00           H
+ATOM    427  N   ASN    30     -19.044  14.304 -17.180  1.00  1.00           N
+ATOM    428  CA  ASN    30     -18.675  14.467 -18.576  1.00  1.00           C
+ATOM    429  C   ASN    30     -17.152  14.538 -18.692  1.00  1.00           C
+ATOM    430  O   ASN    30     -16.614  14.662 -19.791  1.00  1.00           O
+ATOM    435  H   ASN    30     -19.388  15.131 -16.734  1.00  1.00           H
+ATOM    436  HA  ASN    30     -19.093  13.600 -19.086  1.00  1.00           H
+ATOM    431  CB  ASN    30     -19.253  15.764 -19.150  1.00  1.00           C
+ATOM    432  CG  ASN    30     -20.781  15.760 -19.080  1.00  1.00           C
+ATOM    433  OD1 ASN    30     -21.466  15.189 -19.914  1.00  1.00           O
+ATOM    434  ND2 ASN    30     -21.277  16.429 -18.043  1.00  1.00           N
+ATOM    437  HB2 ASN    30     -18.862  16.617 -18.597  1.00  1.00           H
+ATOM    438  HB3 ASN    30     -18.933  15.881 -20.185  1.00  1.00           H
+ATOM    439 HD21 ASN    30     -20.660  16.876 -17.395  1.00  1.00           H
+ATOM    440 HD22 ASN    30     -22.267  16.485 -17.911  1.00  1.00           H
+ATOM    441  N   GLY    31     -16.499  14.456 -17.543  1.00  1.00           N
+ATOM    442  CA  GLY    31     -15.047  14.508 -17.501  1.00  1.00           C
+ATOM    443  C   GLY    31     -14.519  14.009 -16.155  1.00  1.00           C
+ATOM    444  O   GLY    31     -14.727  14.649 -15.125  1.00  1.00           O
+ATOM    445  H   GLY    31     -16.944  14.356 -16.652  1.00  1.00           H
+ATOM    446  HA2 GLY    31     -14.634  13.899 -18.305  1.00  1.00           H
+ATOM    447  HA3 GLY    31     -14.711  15.530 -17.671  1.00  1.00           H
+ATOM    448  N   SER    32     -13.844  12.870 -16.205  1.00  1.00           N
+ATOM    449  CA  SER    32     -13.283  12.278 -15.003  1.00  1.00           C
+ATOM    450  C   SER    32     -12.071  11.415 -15.359  1.00  1.00           C
+ATOM    451  O   SER    32     -12.063  10.748 -16.393  1.00  1.00           O
+ATOM    454  H   SER    32     -13.677  12.356 -17.047  1.00  1.00           H
+ATOM    455  HA  SER    32     -12.982  13.120 -14.380  1.00  1.00           H
+ATOM    452  CB  SER    32     -14.329  11.445 -14.261  1.00  1.00           C
+ATOM    453  OG  SER    32     -14.425  11.808 -12.886  1.00  1.00           O
+ATOM    456  HB2 SER    32     -15.301  11.572 -14.738  1.00  1.00           H
+ATOM    457  HB3 SER    32     -14.073  10.387 -14.339  1.00  1.00           H
+ATOM    458  HG  SER    32     -13.545  12.155 -12.561  1.00  1.00           H
+ATOM    459  N   PHE    33     -11.077  11.455 -14.485  1.00  1.00           N
+ATOM    460  CA  PHE    33      -9.864  10.685 -14.695  1.00  1.00           C
+ATOM    461  C   PHE    33      -9.597   9.748 -13.514  1.00  1.00           C
+ATOM    462  O   PHE    33     -10.110   9.966 -12.417  1.00  1.00           O
+ATOM    470  H   PHE    33     -11.092  12.001 -13.646  1.00  1.00           H
+ATOM    471  HA  PHE    33     -10.009  10.094 -15.599  1.00  1.00           H
+ATOM    463  CB  PHE    33      -8.711  11.686 -14.806  1.00  1.00           C
+ATOM    464  CG  PHE    33      -8.969  12.821 -15.799  1.00  1.00           C
+ATOM    465  CD1 PHE    33     -10.082  13.592 -15.678  1.00  1.00           C
+ATOM    466  CD2 PHE    33      -8.082  13.059 -16.803  1.00  1.00           C
+ATOM    467  CE1 PHE    33     -10.320  14.647 -16.599  1.00  1.00           C
+ATOM    468  CE2 PHE    33      -8.319  14.113 -17.725  1.00  1.00           C
+ATOM    469  CZ  PHE    33      -9.433  14.884 -17.604  1.00  1.00           C
+ATOM    472  HB2 PHE    33      -8.519  12.114 -13.822  1.00  1.00           H
+ATOM    473  HB3 PHE    33      -7.808  11.153 -15.103  1.00  1.00           H
+ATOM    474  HD1 PHE    33     -10.792  13.401 -14.873  1.00  1.00           H
+ATOM    475  HD2 PHE    33      -7.190  12.441 -16.900  1.00  1.00           H
+ATOM    476  HE1 PHE    33     -11.212  15.264 -16.503  1.00  1.00           H
+ATOM    477  HE2 PHE    33      -7.609  14.304 -18.530  1.00  1.00           H
+ATOM    478  HZ  PHE    33      -9.615  15.693 -18.312  1.00  1.00           H
+ATOM    479  N   LEU    34      -8.795   8.727 -13.779  1.00  1.00           N
+ATOM    480  CA  LEU    34      -8.455   7.757 -12.752  1.00  1.00           C
+ATOM    481  C   LEU    34      -7.121   7.095 -13.105  1.00  1.00           C
+ATOM    482  O   LEU    34      -6.935   6.625 -14.226  1.00  1.00           O
+ATOM    487  H   LEU    34      -8.383   8.558 -14.675  1.00  1.00           H
+ATOM    488  HA  LEU    34      -8.334   8.301 -11.816  1.00  1.00           H
+ATOM    483  CB  LEU    34      -9.601   6.763 -12.554  1.00  1.00           C
+ATOM    484  CG  LEU    34     -10.657   6.727 -13.660  1.00  1.00           C
+ATOM    485  CD1 LEU    34     -11.119   5.294 -13.930  1.00  1.00           C
+ATOM    486  CD2 LEU    34     -11.829   7.654 -13.330  1.00  1.00           C
+ATOM    489  HB2 LEU    34      -9.175   5.765 -12.452  1.00  1.00           H
+ATOM    490  HB3 LEU    34     -10.098   6.996 -11.612  1.00  1.00           H
+ATOM    491  HG  LEU    34     -10.203   7.098 -14.579  1.00  1.00           H
+ATOM    492 HD11 LEU    34     -11.409   4.822 -12.991  1.00  1.00           H
+ATOM    493 HD12 LEU    34     -11.973   5.309 -14.608  1.00  1.00           H
+ATOM    494 HD13 LEU    34     -10.304   4.728 -14.385  1.00  1.00           H
+ATOM    495 HD21 LEU    34     -11.626   8.178 -12.395  1.00  1.00           H
+ATOM    496 HD22 LEU    34     -11.954   8.381 -14.134  1.00  1.00           H
+ATOM    497 HD23 LEU    34     -12.740   7.065 -13.226  1.00  1.00           H
+ATOM    498  N   VAL    35      -6.228   7.080 -12.126  1.00  1.00           N
+ATOM    499  CA  VAL    35      -4.917   6.484 -12.319  1.00  1.00           C
+ATOM    500  C   VAL    35      -4.985   4.993 -11.981  1.00  1.00           C
+ATOM    501  O   VAL    35      -5.729   4.588 -11.090  1.00  1.00           O
+ATOM    505  H   VAL    35      -6.388   7.465 -11.217  1.00  1.00           H
+ATOM    506  HA  VAL    35      -4.658   6.593 -13.371  1.00  1.00           H
+ATOM    502  CB  VAL    35      -3.873   7.237 -11.493  1.00  1.00           C
+ATOM    503  CG1 VAL    35      -2.476   6.653 -11.710  1.00  1.00           C
+ATOM    504  CG2 VAL    35      -3.897   8.733 -11.810  1.00  1.00           C
+ATOM    507  HB  VAL    35      -4.127   7.114 -10.439  1.00  1.00           H
+ATOM    508 HG11 VAL    35      -2.562   5.656 -12.142  1.00  1.00           H
+ATOM    509 HG12 VAL    35      -1.915   7.295 -12.388  1.00  1.00           H
+ATOM    510 HG13 VAL    35      -1.955   6.591 -10.754  1.00  1.00           H
+ATOM    511 HG21 VAL    35      -4.886   9.135 -11.590  1.00  1.00           H
+ATOM    512 HG22 VAL    35      -3.153   9.247 -11.203  1.00  1.00           H
+ATOM    513 HG23 VAL    35      -3.670   8.885 -12.866  1.00  1.00           H
+ATOM    514  N   ARG    36      -4.197   4.217 -12.712  1.00  1.00           N
+ATOM    515  CA  ARG    36      -4.159   2.780 -12.500  1.00  1.00           C
+ATOM    516  C   ARG    36      -2.714   2.307 -12.331  1.00  1.00           C
+ATOM    517  O   ARG    36      -1.790   3.118 -12.305  1.00  1.00           O
+ATOM    525  H   ARG    36      -3.594   4.554 -13.435  1.00  1.00           H
+ATOM    526  HA  ARG    36      -4.734   2.617 -11.589  1.00  1.00           H
+ATOM    518  CB  ARG    36      -4.799   2.034 -13.672  1.00  1.00           C
+ATOM    519  CG  ARG    36      -5.168   2.999 -14.801  1.00  1.00           C
+ATOM    520  CD  ARG    36      -6.147   2.349 -15.780  1.00  1.00           C
+ATOM    521  NE  ARG    36      -6.316   3.207 -16.974  1.00  1.00           N
+ATOM    522  CZ  ARG    36      -7.331   3.098 -17.841  1.00  1.00           C
+ATOM    523  NH1 ARG    36      -8.276   2.167 -17.653  1.00  1.00           N
+ATOM    524  NH2 ARG    36      -7.403   3.920 -18.896  1.00  1.00           N
+ATOM    527  HB2 ARG    36      -4.109   1.278 -14.048  1.00  1.00           H
+ATOM    528  HB3 ARG    36      -5.690   1.509 -13.332  1.00  1.00           H
+ATOM    529  HG2 ARG    36      -5.613   3.901 -14.382  1.00  1.00           H
+ATOM    530  HG3 ARG    36      -4.267   3.306 -15.333  1.00  1.00           H
+ATOM    531  HD2 ARG    36      -5.779   1.367 -16.078  1.00  1.00           H
+ATOM    532  HD3 ARG    36      -7.112   2.194 -15.294  1.00  1.00           H
+ATOM    533  HE  ARG    36      -5.629   3.914 -17.143  1.00  1.00           H
+ATOM    534 HH11 ARG    36      -8.221   1.552 -16.866  1.00  1.00           H
+ATOM    535 HH12 ARG    36      -9.033   2.085 -18.301  1.00  1.00           H
+ATOM    536 HH21 ARG    36      -6.699   4.617 -19.036  1.00  1.00           H
+ATOM    537 HH22 ARG    36      -8.160   3.840 -19.544  1.00  1.00           H
+ATOM    538  N   GLU    37      -2.563   0.996 -12.220  1.00  1.00           N
+ATOM    539  CA  GLU    37      -1.247   0.405 -12.053  1.00  1.00           C
+ATOM    540  C   GLU    37      -1.164  -0.927 -12.801  1.00  1.00           C
+ATOM    541  O   GLU    37      -2.057  -1.765 -12.683  1.00  1.00           O
+ATOM    547  H   GLU    37      -3.320   0.342 -12.240  1.00  1.00           H
+ATOM    548  HA  GLU    37      -0.551   1.118 -12.492  1.00  1.00           H
+ATOM    542  CB  GLU    37      -0.910   0.224 -10.571  1.00  1.00           C
+ATOM    543  CG  GLU    37       0.143  -0.869 -10.378  1.00  1.00           C
+ATOM    544  CD  GLU    37       1.060  -0.545  -9.198  1.00  1.00           C
+ATOM    545  OE1 GLU    37       0.663  -0.883  -8.061  1.00  1.00           O
+ATOM    546  OE2 GLU    37       2.137   0.036  -9.457  1.00  1.00           O
+ATOM    549  HB2 GLU    37      -0.543   1.164 -10.160  1.00  1.00           H
+ATOM    550  HB3 GLU    37      -1.813  -0.035 -10.018  1.00  1.00           H
+ATOM    551  HG2 GLU    37      -0.348  -1.827 -10.208  1.00  1.00           H
+ATOM    552  HG3 GLU    37       0.737  -0.971 -11.287  1.00  1.00           H
+ATOM    553  N   SER    38      -0.085  -1.082 -13.553  1.00  1.00           N
+ATOM    554  CA  SER    38       0.127  -2.298 -14.320  1.00  1.00           C
+ATOM    555  C   SER    38       0.566  -3.433 -13.391  1.00  1.00           C
+ATOM    556  O   SER    38       0.846  -3.204 -12.216  1.00  1.00           O
+ATOM    559  H   SER    38       0.637  -0.396 -13.643  1.00  1.00           H
+ATOM    560  HA  SER    38      -0.839  -2.524 -14.771  1.00  1.00           H
+ATOM    557  CB  SER    38       1.166  -2.081 -15.421  1.00  1.00           C
+ATOM    558  OG  SER    38       1.202  -3.168 -16.343  1.00  1.00           O
+ATOM    561  HB2 SER    38       0.940  -1.158 -15.957  1.00  1.00           H
+ATOM    562  HB3 SER    38       2.151  -1.956 -14.971  1.00  1.00           H
+ATOM    563  HG  SER    38       2.138  -3.312 -16.664  1.00  1.00           H
+ATOM    564  N   GLU    39       0.610  -4.631 -13.955  1.00  1.00           N
+ATOM    565  CA  GLU    39       1.011  -5.801 -13.193  1.00  1.00           C
+ATOM    566  C   GLU    39       2.400  -6.269 -13.628  1.00  1.00           C
+ATOM    567  O   GLU    39       2.842  -5.969 -14.736  1.00  1.00           O
+ATOM    573  H   GLU    39       0.381  -4.809 -14.912  1.00  1.00           H
+ATOM    574  HA  GLU    39       1.040  -5.474 -12.153  1.00  1.00           H
+ATOM    568  CB  GLU    39      -0.016  -6.926 -13.335  1.00  1.00           C
+ATOM    569  CG  GLU    39       0.072  -7.902 -12.160  1.00  1.00           C
+ATOM    570  CD  GLU    39       0.475  -7.178 -10.875  1.00  1.00           C
+ATOM    571  OE1 GLU    39       1.698  -7.070 -10.643  1.00  1.00           O
+ATOM    572  OE2 GLU    39      -0.451  -6.748 -10.152  1.00  1.00           O
+ATOM    575  HB2 GLU    39      -1.019  -6.503 -13.385  1.00  1.00           H
+ATOM    576  HB3 GLU    39       0.152  -7.460 -14.270  1.00  1.00           H
+ATOM    577  HG2 GLU    39      -0.889  -8.395 -12.019  1.00  1.00           H
+ATOM    578  HG3 GLU    39       0.800  -8.683 -12.386  1.00  1.00           H
+ATOM    579  N   SER    40       3.052  -6.998 -12.734  1.00  1.00           N
+ATOM    580  CA  SER    40       4.383  -7.511 -13.012  1.00  1.00           C
+ATOM    581  C   SER    40       5.219  -6.440 -13.716  1.00  1.00           C
+ATOM    582  O   SER    40       5.862  -6.715 -14.729  1.00  1.00           O
+ATOM    585  H   SER    40       2.687  -7.238 -11.836  1.00  1.00           H
+ATOM    586  HA  SER    40       4.809  -7.751 -12.039  1.00  1.00           H
+ATOM    583  CB  SER    40       4.317  -8.779 -13.865  1.00  1.00           C
+ATOM    584  OG  SER    40       3.891  -8.506 -15.198  1.00  1.00           O
+ATOM    587  HB2 SER    40       5.299  -9.252 -13.888  1.00  1.00           H
+ATOM    588  HB3 SER    40       3.632  -9.490 -13.405  1.00  1.00           H
+ATOM    589  HG  SER    40       3.070  -9.035 -15.410  1.00  1.00           H
+ATOM    590  N   SER    41       5.185  -5.242 -13.153  1.00  1.00           N
+ATOM    591  CA  SER    41       5.932  -4.129 -13.713  1.00  1.00           C
+ATOM    592  C   SER    41       6.975  -3.639 -12.708  1.00  1.00           C
+ATOM    593  O   SER    41       6.845  -3.877 -11.508  1.00  1.00           O
+ATOM    596  H   SER    41       4.660  -5.026 -12.329  1.00  1.00           H
+ATOM    597  HA  SER    41       6.416  -4.527 -14.604  1.00  1.00           H
+ATOM    594  CB  SER    41       4.998  -2.984 -14.110  1.00  1.00           C
+ATOM    595  OG  SER    41       3.735  -3.075 -13.459  1.00  1.00           O
+ATOM    598  HB2 SER    41       5.466  -2.031 -13.859  1.00  1.00           H
+ATOM    599  HB3 SER    41       4.851  -2.993 -15.190  1.00  1.00           H
+ATOM    600  HG  SER    41       3.858  -3.068 -12.467  1.00  1.00           H
+ATOM    601  N   PRO    42       8.013  -2.946 -13.247  1.00  1.00           N
+ATOM    602  CA  PRO    42       9.078  -2.420 -12.410  1.00  1.00           C
+ATOM    603  C   PRO    42       8.609  -1.185 -11.638  1.00  1.00           C
+ATOM    604  O   PRO    42       9.384  -0.582 -10.895  1.00  1.00           O
+ATOM    608  HA  PRO    42       9.339  -3.092 -11.718  1.00  1.00           H
+ATOM    605  CB  PRO    42      10.222  -2.124 -13.367  1.00  1.00           C
+ATOM    606  CG  PRO    42       9.597  -2.054 -14.752  1.00  1.00           C
+ATOM    607  CD  PRO    42       8.199  -2.644 -14.664  1.00  1.00           C
+ATOM    609  HB2 PRO    42      10.710  -1.184 -13.112  1.00  1.00           H
+ATOM    610  HB3 PRO    42      10.981  -2.902 -13.320  1.00  1.00           H
+ATOM    611  HG2 PRO    42       9.555  -1.023 -15.101  1.00  1.00           H
+ATOM    612  HG3 PRO    42      10.200  -2.610 -15.471  1.00  1.00           H
+ATOM    613  HD2 PRO    42       7.449  -1.939 -15.021  1.00  1.00           H
+ATOM    614  HD3 PRO    42       8.109  -3.543 -15.274  1.00  1.00           H
+ATOM    615  N   GLY    43       7.344  -0.845 -11.838  1.00  1.00           N
+ATOM    616  CA  GLY    43       6.764   0.307 -11.170  1.00  1.00           C
+ATOM    617  C   GLY    43       6.150   1.276 -12.182  1.00  1.00           C
+ATOM    618  O   GLY    43       6.414   2.476 -12.136  1.00  1.00           O
+ATOM    619  H   GLY    43       6.722  -1.341 -12.444  1.00  1.00           H
+ATOM    620  HA2 GLY    43       5.999  -0.024 -10.467  1.00  1.00           H
+ATOM    621  HA3 GLY    43       7.531   0.820 -10.589  1.00  1.00           H
+ATOM    622  N   GLN    44       5.342   0.718 -13.072  1.00  1.00           N
+ATOM    623  CA  GLN    44       4.688   1.519 -14.093  1.00  1.00           C
+ATOM    624  C   GLN    44       3.216   1.731 -13.739  1.00  1.00           C
+ATOM    625  O   GLN    44       2.574   0.846 -13.173  1.00  1.00           O
+ATOM    631  H   GLN    44       5.133  -0.259 -13.102  1.00  1.00           H
+ATOM    632  HA  GLN    44       5.212   2.474 -14.092  1.00  1.00           H
+ATOM    626  CB  GLN    44       4.832   0.870 -15.473  1.00  1.00           C
+ATOM    627  CG  GLN    44       6.065  -0.032 -15.528  1.00  1.00           C
+ATOM    628  CD  GLN    44       6.949   0.319 -16.727  1.00  1.00           C
+ATOM    629  OE1 GLN    44       7.051  -0.418 -17.694  1.00  1.00           O
+ATOM    630  NE2 GLN    44       7.580   1.483 -16.610  1.00  1.00           N
+ATOM    633  HB2 GLN    44       3.939   0.288 -15.699  1.00  1.00           H
+ATOM    634  HB3 GLN    44       4.909   1.645 -16.235  1.00  1.00           H
+ATOM    635  HG2 GLN    44       6.638   0.072 -14.606  1.00  1.00           H
+ATOM    636  HG3 GLN    44       5.755  -1.075 -15.595  1.00  1.00           H
+ATOM    637 HE21 GLN    44       7.453   2.042 -15.791  1.00  1.00           H
+ATOM    638 HE22 GLN    44       8.182   1.802 -17.344  1.00  1.00           H
+ATOM    639  N   ARG    45       2.720   2.910 -14.087  1.00  1.00           N
+ATOM    640  CA  ARG    45       1.334   3.249 -13.812  1.00  1.00           C
+ATOM    641  C   ARG    45       0.628   3.678 -15.101  1.00  1.00           C
+ATOM    642  O   ARG    45       1.278   4.057 -16.073  1.00  1.00           O
+ATOM    650  H   ARG    45       3.247   3.624 -14.548  1.00  1.00           H
+ATOM    651  HA  ARG    45       0.897   2.336 -13.411  1.00  1.00           H
+ATOM    643  CB  ARG    45       1.238   4.380 -12.787  1.00  1.00           C
+ATOM    644  CG  ARG    45       1.020   3.825 -11.378  1.00  1.00           C
+ATOM    645  CD  ARG    45       2.298   3.181 -10.837  1.00  1.00           C
+ATOM    646  NE  ARG    45       3.364   4.201 -10.712  1.00  1.00           N
+ATOM    647  CZ  ARG    45       4.393   4.110  -9.861  1.00  1.00           C
+ATOM    648  NH1 ARG    45       4.504   3.045  -9.053  1.00  1.00           N
+ATOM    649  NH2 ARG    45       5.313   5.083  -9.815  1.00  1.00           N
+ATOM    652  HB2 ARG    45       2.152   4.976 -12.809  1.00  1.00           H
+ATOM    653  HB3 ARG    45       0.416   5.047 -13.049  1.00  1.00           H
+ATOM    654  HG2 ARG    45       0.702   4.627 -10.711  1.00  1.00           H
+ATOM    655  HG3 ARG    45       0.216   3.088 -11.394  1.00  1.00           H
+ATOM    656  HD2 ARG    45       2.104   2.725  -9.866  1.00  1.00           H
+ATOM    657  HD3 ARG    45       2.624   2.384 -11.505  1.00  1.00           H
+ATOM    658  HE  ARG    45       3.311   5.008 -11.300  1.00  1.00           H
+ATOM    659 HH11 ARG    45       3.818   2.319  -9.087  1.00  1.00           H
+ATOM    660 HH12 ARG    45       5.272   2.978  -8.417  1.00  1.00           H
+ATOM    661 HH21 ARG    45       5.232   5.877 -10.416  1.00  1.00           H
+ATOM    662 HH22 ARG    45       6.082   5.016  -9.180  1.00  1.00           H
+ATOM    663  N   SER    46      -0.695   3.603 -15.065  1.00  1.00           N
+ATOM    664  CA  SER    46      -1.497   3.978 -16.217  1.00  1.00           C
+ATOM    665  C   SER    46      -2.409   5.152 -15.860  1.00  1.00           C
+ATOM    666  O   SER    46      -2.457   5.577 -14.706  1.00  1.00           O
+ATOM    669  H   SER    46      -1.216   3.293 -14.270  1.00  1.00           H
+ATOM    670  HA  SER    46      -0.780   4.270 -16.985  1.00  1.00           H
+ATOM    667  CB  SER    46      -2.326   2.795 -16.720  1.00  1.00           C
+ATOM    668  OG  SER    46      -2.479   1.788 -15.723  1.00  1.00           O
+ATOM    671  HB2 SER    46      -3.309   3.148 -17.033  1.00  1.00           H
+ATOM    672  HB3 SER    46      -1.848   2.364 -17.600  1.00  1.00           H
+ATOM    673  HG  SER    46      -2.656   2.211 -14.834  1.00  1.00           H
+ATOM    674  N   ILE    47      -3.113   5.644 -16.870  1.00  1.00           N
+ATOM    675  CA  ILE    47      -4.021   6.761 -16.677  1.00  1.00           C
+ATOM    676  C   ILE    47      -5.350   6.459 -17.373  1.00  1.00           C
+ATOM    677  O   ILE    47      -5.367   6.032 -18.528  1.00  1.00           O
+ATOM    682  H   ILE    47      -3.068   5.291 -17.806  1.00  1.00           H
+ATOM    683  HA  ILE    47      -4.205   6.851 -15.606  1.00  1.00           H
+ATOM    678  CB  ILE    47      -3.371   8.068 -17.135  1.00  1.00           C
+ATOM    679  CG1 ILE    47      -2.890   8.889 -15.938  1.00  1.00           C
+ATOM    680  CG2 ILE    47      -4.316   8.864 -18.036  1.00  1.00           C
+ATOM    681  CD1 ILE    47      -4.073   9.449 -15.147  1.00  1.00           C
+ATOM    684  HB  ILE    47      -2.491   7.819 -17.729  1.00  1.00           H
+ATOM    685 HG12 ILE    47      -2.275   8.266 -15.287  1.00  1.00           H
+ATOM    686 HG13 ILE    47      -2.258   9.708 -16.284  1.00  1.00           H
+ATOM    687 HG21 ILE    47      -5.325   8.822 -17.629  1.00  1.00           H
+ATOM    688 HG22 ILE    47      -3.985   9.902 -18.082  1.00  1.00           H
+ATOM    689 HG23 ILE    47      -4.309   8.436 -19.038  1.00  1.00           H
+ATOM    690 HD11 ILE    47      -4.778   9.921 -15.832  1.00  1.00           H
+ATOM    691 HD12 ILE    47      -4.571   8.638 -14.614  1.00  1.00           H
+ATOM    692 HD13 ILE    47      -3.714  10.188 -14.431  1.00  1.00           H
+ATOM    693  N   SER    48      -6.430   6.689 -16.642  1.00  1.00           N
+ATOM    694  CA  SER    48      -7.759   6.446 -17.176  1.00  1.00           C
+ATOM    695  C   SER    48      -8.567   7.746 -17.179  1.00  1.00           C
+ATOM    696  O   SER    48      -9.087   8.162 -16.144  1.00  1.00           O
+ATOM    699  H   SER    48      -6.408   7.035 -15.704  1.00  1.00           H
+ATOM    700  HA  SER    48      -7.603   6.092 -18.194  1.00  1.00           H
+ATOM    697  CB  SER    48      -8.490   5.371 -16.368  1.00  1.00           C
+ATOM    698  OG  SER    48      -7.615   4.695 -15.468  1.00  1.00           O
+ATOM    701  HB2 SER    48      -9.304   5.829 -15.807  1.00  1.00           H
+ATOM    702  HB3 SER    48      -8.940   4.649 -17.050  1.00  1.00           H
+ATOM    703  HG  SER    48      -6.670   4.781 -15.779  1.00  1.00           H
+ATOM    704  N   LEU    49      -8.646   8.353 -18.354  1.00  1.00           N
+ATOM    705  CA  LEU    49      -9.381   9.596 -18.507  1.00  1.00           C
+ATOM    706  C   LEU    49     -10.724   9.311 -19.184  1.00  1.00           C
+ATOM    707  O   LEU    49     -10.871   8.309 -19.881  1.00  1.00           O
+ATOM    712  H   LEU    49      -8.221   8.008 -19.192  1.00  1.00           H
+ATOM    713  HA  LEU    49      -9.574   9.987 -17.508  1.00  1.00           H
+ATOM    708  CB  LEU    49      -8.532  10.635 -19.241  1.00  1.00           C
+ATOM    709  CG  LEU    49      -9.178  11.288 -20.466  1.00  1.00           C
+ATOM    710  CD1 LEU    49     -10.146  12.396 -20.048  1.00  1.00           C
+ATOM    711  CD2 LEU    49      -8.114  11.793 -21.443  1.00  1.00           C
+ATOM    714  HB2 LEU    49      -8.263  11.421 -18.535  1.00  1.00           H
+ATOM    715  HB3 LEU    49      -7.603  10.158 -19.556  1.00  1.00           H
+ATOM    716  HG  LEU    49      -9.761  10.530 -20.987  1.00  1.00           H
+ATOM    717 HD11 LEU    49     -10.038  12.591 -18.980  1.00  1.00           H
+ATOM    718 HD12 LEU    49      -9.921  13.305 -20.607  1.00  1.00           H
+ATOM    719 HD13 LEU    49     -11.169  12.084 -20.259  1.00  1.00           H
+ATOM    720 HD21 LEU    49      -7.413  12.437 -20.914  1.00  1.00           H
+ATOM    721 HD22 LEU    49      -7.579  10.943 -21.868  1.00  1.00           H
+ATOM    722 HD23 LEU    49      -8.595  12.357 -22.242  1.00  1.00           H
+ATOM    723  N   ARG    50     -11.670  10.211 -18.952  1.00  1.00           N
+ATOM    724  CA  ARG    50     -12.994  10.068 -19.533  1.00  1.00           C
+ATOM    725  C   ARG    50     -13.486  11.413 -20.070  1.00  1.00           C
+ATOM    726  O   ARG    50     -13.314  12.446 -19.424  1.00  1.00           O
+ATOM    734  H   ARG    50     -11.542  11.023 -18.384  1.00  1.00           H
+ATOM    735  HA  ARG    50     -12.870   9.345 -20.338  1.00  1.00           H
+ATOM    727  CB  ARG    50     -13.993   9.545 -18.498  1.00  1.00           C
+ATOM    728  CG  ARG    50     -15.417   9.551 -19.058  1.00  1.00           C
+ATOM    729  CD  ARG    50     -16.260  10.647 -18.403  1.00  1.00           C
+ATOM    730  NE  ARG    50     -17.496  10.870 -19.184  1.00  1.00           N
+ATOM    731  CZ  ARG    50     -18.514  10.001 -19.246  1.00  1.00           C
+ATOM    732  NH1 ARG    50     -18.448   8.844 -18.573  1.00  1.00           N
+ATOM    733  NH2 ARG    50     -19.597  10.287 -19.980  1.00  1.00           N
+ATOM    736  HB2 ARG    50     -13.719   8.532 -18.203  1.00  1.00           H
+ATOM    737  HB3 ARG    50     -13.950  10.161 -17.601  1.00  1.00           H
+ATOM    738  HG2 ARG    50     -15.386   9.708 -20.136  1.00  1.00           H
+ATOM    739  HG3 ARG    50     -15.883   8.581 -18.891  1.00  1.00           H
+ATOM    740  HD2 ARG    50     -16.513  10.360 -17.382  1.00  1.00           H
+ATOM    741  HD3 ARG    50     -15.685  11.571 -18.342  1.00  1.00           H
+ATOM    742  HE  ARG    50     -17.578  11.724 -19.699  1.00  1.00           H
+ATOM    743 HH11 ARG    50     -17.640   8.630 -18.024  1.00  1.00           H
+ATOM    744 HH12 ARG    50     -19.207   8.194 -18.619  1.00  1.00           H
+ATOM    745 HH21 ARG    50     -19.646  11.151 -20.483  1.00  1.00           H
+ATOM    746 HH22 ARG    50     -20.357   9.637 -20.027  1.00  1.00           H
+ATOM    747  N   TYR    51     -14.089  11.358 -21.248  1.00  1.00           N
+ATOM    748  CA  TYR    51     -14.606  12.560 -21.882  1.00  1.00           C
+ATOM    749  C   TYR    51     -16.115  12.453 -22.110  1.00  1.00           C
+ATOM    750  O   TYR    51     -16.865  12.142 -21.186  1.00  1.00           O
+ATOM    759  H   TYR    51     -14.225  10.514 -21.768  1.00  1.00           H
+ATOM    760  HA  TYR    51     -14.405  13.401 -21.220  1.00  1.00           H
+ATOM    751  CB  TYR    51     -13.904  12.658 -23.237  1.00  1.00           C
+ATOM    752  CG  TYR    51     -13.827  14.080 -23.796  1.00  1.00           C
+ATOM    753  CD1 TYR    51     -13.313  15.100 -23.021  1.00  1.00           C
+ATOM    754  CD2 TYR    51     -14.272  14.345 -25.076  1.00  1.00           C
+ATOM    755  CE1 TYR    51     -13.242  16.438 -23.546  1.00  1.00           C
+ATOM    756  CE2 TYR    51     -14.200  15.682 -25.602  1.00  1.00           C
+ATOM    757  CZ  TYR    51     -13.689  16.663 -24.812  1.00  1.00           C
+ATOM    758  OH  TYR    51     -13.621  17.928 -25.309  1.00  1.00           O
+ATOM    761  HB2 TYR    51     -12.893  12.262 -23.140  1.00  1.00           H
+ATOM    762  HB3 TYR    51     -14.427  12.025 -23.953  1.00  1.00           H
+ATOM    763  HD1 TYR    51     -12.963  14.893 -22.009  1.00  1.00           H
+ATOM    764  HD2 TYR    51     -14.677  13.539 -25.688  1.00  1.00           H
+ATOM    765  HE1 TYR    51     -12.839  17.253 -22.945  1.00  1.00           H
+ATOM    766  HE2 TYR    51     -14.547  15.904 -26.610  1.00  1.00           H
+ATOM    767  HH  TYR    51     -12.763  18.053 -25.808  1.00  1.00           H
+ATOM    768  N   GLU    52     -16.514  12.715 -23.345  1.00  1.00           N
+ATOM    769  CA  GLU    52     -17.921  12.652 -23.706  1.00  1.00           C
+ATOM    770  C   GLU    52     -18.387  11.197 -23.771  1.00  1.00           C
+ATOM    771  O   GLU    52     -18.961  10.769 -24.772  1.00  1.00           O
+ATOM    777  H   GLU    52     -15.899  12.968 -24.090  1.00  1.00           H
+ATOM    778  HA  GLU    52     -18.449  13.175 -22.908  1.00  1.00           H
+ATOM    772  CB  GLU    52     -18.179  13.371 -25.033  1.00  1.00           C
+ATOM    773  CG  GLU    52     -18.241  14.887 -24.833  1.00  1.00           C
+ATOM    774  CD  GLU    52     -18.173  15.620 -26.174  1.00  1.00           C
+ATOM    775  OE1 GLU    52     -17.492  15.089 -27.077  1.00  1.00           O
+ATOM    776  OE2 GLU    52     -18.804  16.694 -26.265  1.00  1.00           O
+ATOM    779  HB2 GLU    52     -17.389  13.127 -25.742  1.00  1.00           H
+ATOM    780  HB3 GLU    52     -19.116  13.019 -25.464  1.00  1.00           H
+ATOM    781  HG2 GLU    52     -19.162  15.152 -24.315  1.00  1.00           H
+ATOM    782  HG3 GLU    52     -17.415  15.206 -24.196  1.00  1.00           H
+ATOM    783  N   GLY    53     -18.126  10.477 -22.691  1.00  1.00           N
+ATOM    784  CA  GLY    53     -18.512   9.077 -22.612  1.00  1.00           C
+ATOM    785  C   GLY    53     -17.336   8.163 -22.960  1.00  1.00           C
+ATOM    786  O   GLY    53     -17.269   7.027 -22.496  1.00  1.00           O
+ATOM    787  H   GLY    53     -17.659  10.832 -21.881  1.00  1.00           H
+ATOM    788  HA2 GLY    53     -18.868   8.851 -21.607  1.00  1.00           H
+ATOM    789  HA3 GLY    53     -19.339   8.886 -23.295  1.00  1.00           H
+ATOM    790  N   ARG    54     -16.436   8.695 -23.776  1.00  1.00           N
+ATOM    791  CA  ARG    54     -15.265   7.941 -24.191  1.00  1.00           C
+ATOM    792  C   ARG    54     -14.239   7.886 -23.058  1.00  1.00           C
+ATOM    793  O   ARG    54     -14.121   8.830 -22.277  1.00  1.00           O
+ATOM    801  H   ARG    54     -16.497   9.621 -24.149  1.00  1.00           H
+ATOM    802  HA  ARG    54     -15.643   6.947 -24.427  1.00  1.00           H
+ATOM    794  CB  ARG    54     -14.616   8.569 -25.427  1.00  1.00           C
+ATOM    795  CG  ARG    54     -14.234  10.026 -25.164  1.00  1.00           C
+ATOM    796  CD  ARG    54     -13.141  10.488 -26.131  1.00  1.00           C
+ATOM    797  NE  ARG    54     -13.704  11.439 -27.116  1.00  1.00           N
+ATOM    798  CZ  ARG    54     -13.239  11.598 -28.361  1.00  1.00           C
+ATOM    799  NH1 ARG    54     -12.198  10.866 -28.784  1.00  1.00           N
+ATOM    800  NH2 ARG    54     -13.812  12.485 -29.185  1.00  1.00           N
+ATOM    803  HB2 ARG    54     -13.729   7.999 -25.705  1.00  1.00           H
+ATOM    804  HB3 ARG    54     -15.306   8.516 -26.271  1.00  1.00           H
+ATOM    805  HG2 ARG    54     -15.112  10.662 -25.272  1.00  1.00           H
+ATOM    806  HG3 ARG    54     -13.884  10.135 -24.138  1.00  1.00           H
+ATOM    807  HD2 ARG    54     -12.330  10.963 -25.577  1.00  1.00           H
+ATOM    808  HD3 ARG    54     -12.714   9.629 -26.649  1.00  1.00           H
+ATOM    809  HE  ARG    54     -14.483  12.001 -26.832  1.00  1.00           H
+ATOM    810 HH11 ARG    54     -11.769  10.204 -28.169  1.00  1.00           H
+ATOM    811 HH12 ARG    54     -11.848  10.983 -29.714  1.00  1.00           H
+ATOM    812 HH21 ARG    54     -14.589  13.030 -28.869  1.00  1.00           H
+ATOM    813 HH22 ARG    54     -13.464  12.601 -30.115  1.00  1.00           H
+ATOM    814  N   VAL    55     -13.523   6.773 -23.005  1.00  1.00           N
+ATOM    815  CA  VAL    55     -12.511   6.582 -21.980  1.00  1.00           C
+ATOM    816  C   VAL    55     -11.146   6.393 -22.646  1.00  1.00           C
+ATOM    817  O   VAL    55     -10.955   5.461 -23.423  1.00  1.00           O
+ATOM    821  H   VAL    55     -13.625   6.010 -23.645  1.00  1.00           H
+ATOM    822  HA  VAL    55     -12.483   7.487 -21.373  1.00  1.00           H
+ATOM    818  CB  VAL    55     -12.899   5.414 -21.071  1.00  1.00           C
+ATOM    819  CG1 VAL    55     -11.728   5.002 -20.176  1.00  1.00           C
+ATOM    820  CG2 VAL    55     -14.134   5.757 -20.235  1.00  1.00           C
+ATOM    823  HB  VAL    55     -13.150   4.564 -21.706  1.00  1.00           H
+ATOM    824 HG11 VAL    55     -11.253   5.893 -19.767  1.00  1.00           H
+ATOM    825 HG12 VAL    55     -12.095   4.379 -19.362  1.00  1.00           H
+ATOM    826 HG13 VAL    55     -11.002   4.441 -20.765  1.00  1.00           H
+ATOM    827 HG21 VAL    55     -14.323   6.830 -20.288  1.00  1.00           H
+ATOM    828 HG22 VAL    55     -14.997   5.217 -20.624  1.00  1.00           H
+ATOM    829 HG23 VAL    55     -13.962   5.468 -19.199  1.00  1.00           H
+ATOM    830  N   TYR    56     -10.234   7.295 -22.316  1.00  1.00           N
+ATOM    831  CA  TYR    56      -8.892   7.241 -22.872  1.00  1.00           C
+ATOM    832  C   TYR    56      -7.961   6.418 -21.977  1.00  1.00           C
+ATOM    833  O   TYR    56      -7.900   6.640 -20.770  1.00  1.00           O
+ATOM    842  H   TYR    56     -10.397   8.052 -21.682  1.00  1.00           H
+ATOM    843  HA  TYR    56      -8.953   6.767 -23.852  1.00  1.00           H
+ATOM    834  CB  TYR    56      -8.393   8.686 -22.916  1.00  1.00           C
+ATOM    835  CG  TYR    56      -8.882   9.477 -24.131  1.00  1.00           C
+ATOM    836  CD1 TYR    56      -8.576   9.044 -25.405  1.00  1.00           C
+ATOM    837  CD2 TYR    56      -9.631  10.623 -23.952  1.00  1.00           C
+ATOM    838  CE1 TYR    56      -9.037   9.789 -26.548  1.00  1.00           C
+ATOM    839  CE2 TYR    56     -10.091  11.368 -25.097  1.00  1.00           C
+ATOM    840  CZ  TYR    56      -9.771  10.913 -26.337  1.00  1.00           C
+ATOM    841  OH  TYR    56     -10.206  11.616 -27.418  1.00  1.00           O
+ATOM    844  HB2 TYR    56      -8.715   9.198 -22.009  1.00  1.00           H
+ATOM    845  HB3 TYR    56      -7.304   8.684 -22.911  1.00  1.00           H
+ATOM    846  HD1 TYR    56      -7.986   8.139 -25.545  1.00  1.00           H
+ATOM    847  HD2 TYR    56      -9.873  10.966 -22.946  1.00  1.00           H
+ATOM    848  HE1 TYR    56      -8.802   9.457 -27.559  1.00  1.00           H
+ATOM    849  HE2 TYR    56     -10.683  12.274 -24.970  1.00  1.00           H
+ATOM    850  HH  TYR    56     -10.815  12.353 -27.123  1.00  1.00           H
+ATOM    851  N   HIS    57      -7.257   5.489 -22.606  1.00  1.00           N
+ATOM    852  CA  HIS    57      -6.332   4.633 -21.884  1.00  1.00           C
+ATOM    853  C   HIS    57      -4.898   4.944 -22.319  1.00  1.00           C
+ATOM    854  O   HIS    57      -4.418   4.406 -23.316  1.00  1.00           O
+ATOM    861  H   HIS    57      -7.312   5.315 -23.590  1.00  1.00           H
+ATOM    862  HA  HIS    57      -6.444   4.876 -20.828  1.00  1.00           H
+ATOM    855  CB  HIS    57      -6.700   3.160 -22.065  1.00  1.00           C
+ATOM    856  CG  HIS    57      -8.171   2.867 -21.886  1.00  1.00           C
+ATOM    857  ND1 HIS    57      -8.686   2.286 -20.741  1.00  1.00           N
+ATOM    858  CD2 HIS    57      -9.230   3.082 -22.718  1.00  1.00           C
+ATOM    859  CE1 HIS    57      -9.997   2.160 -20.889  1.00  1.00           C
+ATOM    860  NE2 HIS    57     -10.332   2.654 -22.115  1.00  1.00           N
+ATOM    863  HB2 HIS    57      -6.395   2.838 -23.061  1.00  1.00           H
+ATOM    864  HB3 HIS    57      -6.132   2.562 -21.350  1.00  1.00           H
+ATOM    865  HD1 HIS    57      -8.159   2.006 -19.938  1.00  1.00           H
+ATOM    866  HD2 HIS    57      -9.178   3.531 -23.711  1.00  1.00           H
+ATOM    867  HE1 HIS    57     -10.686   1.738 -20.158  1.00  1.00           H
+ATOM    868  N   TYR    58      -4.256   5.811 -21.550  1.00  1.00           N
+ATOM    869  CA  TYR    58      -2.887   6.199 -21.843  1.00  1.00           C
+ATOM    870  C   TYR    58      -2.010   6.104 -20.592  1.00  1.00           C
+ATOM    871  O   TYR    58      -2.339   6.677 -19.554  1.00  1.00           O
+ATOM    880  H   TYR    58      -4.654   6.243 -20.741  1.00  1.00           H
+ATOM    881  HA  TYR    58      -2.500   5.521 -22.601  1.00  1.00           H
+ATOM    872  CB  TYR    58      -2.951   7.660 -22.296  1.00  1.00           C
+ATOM    873  CG  TYR    58      -2.710   7.858 -23.793  1.00  1.00           C
+ATOM    874  CD1 TYR    58      -1.422   7.852 -24.292  1.00  1.00           C
+ATOM    875  CD2 TYR    58      -3.778   8.041 -24.647  1.00  1.00           C
+ATOM    876  CE1 TYR    58      -1.194   8.039 -25.701  1.00  1.00           C
+ATOM    877  CE2 TYR    58      -3.551   8.227 -26.056  1.00  1.00           C
+ATOM    878  CZ  TYR    58      -2.270   8.217 -26.515  1.00  1.00           C
+ATOM    879  OH  TYR    58      -2.054   8.392 -27.845  1.00  1.00           O
+ATOM    882  HB2 TYR    58      -3.930   8.066 -22.040  1.00  1.00           H
+ATOM    883  HB3 TYR    58      -2.211   8.235 -21.740  1.00  1.00           H
+ATOM    884  HD1 TYR    58      -0.578   7.708 -23.617  1.00  1.00           H
+ATOM    885  HD2 TYR    58      -4.795   8.044 -24.254  1.00  1.00           H
+ATOM    886  HE1 TYR    58      -0.182   8.037 -26.106  1.00  1.00           H
+ATOM    887  HE2 TYR    58      -4.386   8.373 -26.742  1.00  1.00           H
+ATOM    888  HH  TYR    58      -2.070   7.509 -28.313  1.00  1.00           H
+ATOM    889  N   ARG    59      -0.912   5.378 -20.733  1.00  1.00           N
+ATOM    890  CA  ARG    59       0.016   5.200 -19.628  1.00  1.00           C
+ATOM    891  C   ARG    59       0.823   6.480 -19.401  1.00  1.00           C
+ATOM    892  O   ARG    59       1.003   7.275 -20.323  1.00  1.00           O
+ATOM    900  H   ARG    59      -0.651   4.916 -21.581  1.00  1.00           H
+ATOM    901  HA  ARG    59      -0.616   4.978 -18.767  1.00  1.00           H
+ATOM    893  CB  ARG    59       0.975   4.040 -19.895  1.00  1.00           C
+ATOM    894  CG  ARG    59       1.402   4.007 -21.363  1.00  1.00           C
+ATOM    895  CD  ARG    59       2.768   3.336 -21.522  1.00  1.00           C
+ATOM    896  NE  ARG    59       3.333   3.646 -22.856  1.00  1.00           N
+ATOM    897  CZ  ARG    59       2.929   3.068 -23.995  1.00  1.00           C
+ATOM    898  NH1 ARG    59       1.956   2.146 -23.971  1.00  1.00           N
+ATOM    899  NH2 ARG    59       3.498   3.411 -25.158  1.00  1.00           N
+ATOM    902  HB2 ARG    59       1.855   4.135 -19.258  1.00  1.00           H
+ATOM    903  HB3 ARG    59       0.494   3.097 -19.632  1.00  1.00           H
+ATOM    904  HG2 ARG    59       0.659   3.471 -21.952  1.00  1.00           H
+ATOM    905  HG3 ARG    59       1.445   5.024 -21.755  1.00  1.00           H
+ATOM    906  HD2 ARG    59       3.446   3.682 -20.743  1.00  1.00           H
+ATOM    907  HD3 ARG    59       2.668   2.258 -21.402  1.00  1.00           H
+ATOM    908  HE  ARG    59       4.061   4.330 -22.909  1.00  1.00           H
+ATOM    909 HH11 ARG    59       1.531   1.890 -23.103  1.00  1.00           H
+ATOM    910 HH12 ARG    59       1.656   1.715 -24.821  1.00  1.00           H
+ATOM    911 HH21 ARG    59       4.224   4.099 -25.176  1.00  1.00           H
+ATOM    912 HH22 ARG    59       3.197   2.980 -26.009  1.00  1.00           H
+ATOM    913  N   ILE    60       1.290   6.637 -18.172  1.00  1.00           N
+ATOM    914  CA  ILE    60       2.075   7.807 -17.815  1.00  1.00           C
+ATOM    915  C   ILE    60       3.432   7.738 -18.517  1.00  1.00           C
+ATOM    916  O   ILE    60       4.165   8.726 -18.556  1.00  1.00           O
+ATOM    921  H   ILE    60       1.140   5.986 -17.429  1.00  1.00           H
+ATOM    922  HA  ILE    60       1.540   8.684 -18.178  1.00  1.00           H
+ATOM    917  CB  ILE    60       2.176   7.939 -16.294  1.00  1.00           C
+ATOM    918  CG1 ILE    60       0.796   7.833 -15.641  1.00  1.00           C
+ATOM    919  CG2 ILE    60       2.898   9.230 -15.903  1.00  1.00           C
+ATOM    920  CD1 ILE    60       0.845   6.942 -14.397  1.00  1.00           C
+ATOM    923  HB  ILE    60       2.775   7.109 -15.918  1.00  1.00           H
+ATOM    924 HG12 ILE    60       0.442   8.826 -15.368  1.00  1.00           H
+ATOM    925 HG13 ILE    60       0.082   7.426 -16.356  1.00  1.00           H
+ATOM    926 HG21 ILE    60       3.798   9.342 -16.508  1.00  1.00           H
+ATOM    927 HG22 ILE    60       2.237  10.081 -16.072  1.00  1.00           H
+ATOM    928 HG23 ILE    60       3.173   9.188 -14.847  1.00  1.00           H
+ATOM    929 HD11 ILE    60       1.317   5.993 -14.649  1.00  1.00           H
+ATOM    930 HD12 ILE    60       1.421   7.439 -13.617  1.00  1.00           H
+ATOM    931 HD13 ILE    60      -0.168   6.760 -14.041  1.00  1.00           H
+ATOM    932  N   ASN    61       3.726   6.564 -19.055  1.00  1.00           N
+ATOM    933  CA  ASN    61       4.982   6.354 -19.755  1.00  1.00           C
+ATOM    934  C   ASN    61       6.146   6.624 -18.798  1.00  1.00           C
+ATOM    935  O   ASN    61       6.046   7.481 -17.919  1.00  1.00           O
+ATOM    940  H   ASN    61       3.125   5.767 -19.018  1.00  1.00           H
+ATOM    941  HA  ASN    61       4.953   5.320 -20.092  1.00  1.00           H
+ATOM    936  CB  ASN    61       5.118   7.309 -20.942  1.00  1.00           C
+ATOM    937  CG  ASN    61       6.471   7.136 -21.634  1.00  1.00           C
+ATOM    938  OD1 ASN    61       6.661   6.275 -22.478  1.00  1.00           O
+ATOM    939  ND2 ASN    61       7.399   8.001 -21.232  1.00  1.00           N
+ATOM    942  HB2 ASN    61       4.314   7.124 -21.656  1.00  1.00           H
+ATOM    943  HB3 ASN    61       5.008   8.339 -20.601  1.00  1.00           H
+ATOM    944 HD21 ASN    61       7.176   8.684 -20.536  1.00  1.00           H
+ATOM    945 HD22 ASN    61       8.317   7.968 -21.627  1.00  1.00           H
+ATOM    946  N   THR    62       7.222   5.881 -19.000  1.00  1.00           N
+ATOM    947  CA  THR    62       8.403   6.028 -18.166  1.00  1.00           C
+ATOM    948  C   THR    62       9.618   6.391 -19.022  1.00  1.00           C
+ATOM    949  O   THR    62       9.637   6.125 -20.223  1.00  1.00           O
+ATOM    953  H   THR    62       7.296   5.187 -19.718  1.00  1.00           H
+ATOM    954  HA  THR    62       8.237   6.859 -17.480  1.00  1.00           H
+ATOM    950  CB  THR    62       8.584   4.735 -17.370  1.00  1.00           C
+ATOM    951  OG1 THR    62       7.372   4.610 -16.630  1.00  1.00           O
+ATOM    952  CG2 THR    62       9.665   4.857 -16.294  1.00  1.00           C
+ATOM    955  HB  THR    62       8.788   3.895 -18.033  1.00  1.00           H
+ATOM    956  HG1 THR    62       6.869   3.800 -16.933  1.00  1.00           H
+ATOM    957 HG21 THR    62       9.609   5.843 -15.832  1.00  1.00           H
+ATOM    958 HG22 THR    62       9.510   4.091 -15.534  1.00  1.00           H
+ATOM    959 HG23 THR    62      10.647   4.724 -16.748  1.00  1.00           H
+ATOM    960  N   ALA    63      10.603   6.992 -18.371  1.00  1.00           N
+ATOM    961  CA  ALA    63      11.820   7.392 -19.057  1.00  1.00           C
+ATOM    962  C   ALA    63      12.802   6.220 -19.071  1.00  1.00           C
+ATOM    963  O   ALA    63      13.986   6.393 -18.789  1.00  1.00           O
+ATOM    965  H   ALA    63      10.579   7.204 -17.394  1.00  1.00           H
+ATOM    966  HA  ALA    63      11.553   7.645 -20.084  1.00  1.00           H
+ATOM    964  CB  ALA    63      12.403   8.633 -18.379  1.00  1.00           C
+ATOM    967  HB1 ALA    63      11.958   8.751 -17.390  1.00  1.00           H
+ATOM    968  HB2 ALA    63      13.482   8.520 -18.280  1.00  1.00           H
+ATOM    969  HB3 ALA    63      12.184   9.514 -18.982  1.00  1.00           H
+ATOM    970  N   SER    64      12.273   5.050 -19.403  1.00  1.00           N
+ATOM    971  CA  SER    64      13.090   3.849 -19.458  1.00  1.00           C
+ATOM    972  C   SER    64      14.134   3.874 -18.340  1.00  1.00           C
+ATOM    973  O   SER    64      15.242   3.370 -18.509  1.00  1.00           O
+ATOM    976  H   SER    64      11.309   4.918 -19.632  1.00  1.00           H
+ATOM    977  HA  SER    64      12.395   3.022 -19.314  1.00  1.00           H
+ATOM    974  CB  SER    64      13.773   3.710 -20.819  1.00  1.00           C
+ATOM    975  OG  SER    64      14.772   4.707 -21.020  1.00  1.00           O
+ATOM    978  HB2 SER    64      14.228   2.722 -20.897  1.00  1.00           H
+ATOM    979  HB3 SER    64      13.026   3.779 -21.610  1.00  1.00           H
+ATOM    980  HG  SER    64      14.783   5.340 -20.246  1.00  1.00           H
+ATOM    981  N   ASP    65      13.742   4.466 -17.222  1.00  1.00           N
+ATOM    982  CA  ASP    65      14.630   4.563 -16.076  1.00  1.00           C
+ATOM    983  C   ASP    65      13.804   4.500 -14.789  1.00  1.00           C
+ATOM    984  O   ASP    65      14.072   3.676 -13.915  1.00  1.00           O
+ATOM    989  H   ASP    65      12.838   4.874 -17.092  1.00  1.00           H
+ATOM    990  HA  ASP    65      15.317   3.722 -16.172  1.00  1.00           H
+ATOM    985  CB  ASP    65      15.395   5.889 -16.081  1.00  1.00           C
+ATOM    986  CG  ASP    65      16.717   5.869 -16.850  1.00  1.00           C
+ATOM    987  OD1 ASP    65      17.053   4.785 -17.373  1.00  1.00           O
+ATOM    988  OD2 ASP    65      17.362   6.940 -16.897  1.00  1.00           O
+ATOM    991  HB2 ASP    65      14.753   6.659 -16.511  1.00  1.00           H
+ATOM    992  HB3 ASP    65      15.595   6.181 -15.050  1.00  1.00           H
+ATOM    993  N   GLY    66      12.817   5.379 -14.713  1.00  1.00           N
+ATOM    994  CA  GLY    66      11.950   5.434 -13.548  1.00  1.00           C
+ATOM    995  C   GLY    66      10.950   6.586 -13.661  1.00  1.00           C
+ATOM    996  O   GLY    66       9.741   6.365 -13.663  1.00  1.00           O
+ATOM    997  H   GLY    66      12.606   6.046 -15.428  1.00  1.00           H
+ATOM    998  HA2 GLY    66      11.414   4.490 -13.445  1.00  1.00           H
+ATOM    999  HA3 GLY    66      12.552   5.557 -12.648  1.00  1.00           H
+ATOM   1000  N   LYS    67      11.494   7.791 -13.752  1.00  1.00           N
+ATOM   1001  CA  LYS    67      10.664   8.979 -13.865  1.00  1.00           C
+ATOM   1002  C   LYS    67       9.544   8.720 -14.874  1.00  1.00           C
+ATOM   1003  O   LYS    67       9.749   8.026 -15.868  1.00  1.00           O
+ATOM   1009  H   LYS    67      12.478   7.963 -13.749  1.00  1.00           H
+ATOM   1010  HA  LYS    67      10.214   9.158 -12.889  1.00  1.00           H
+ATOM   1004  CB  LYS    67      11.521  10.201 -14.199  1.00  1.00           C
+ATOM   1005  CG  LYS    67      12.650   9.834 -15.166  1.00  1.00           C
+ATOM   1006  CD  LYS    67      14.017  10.002 -14.501  1.00  1.00           C
+ATOM   1007  CE  LYS    67      15.141   9.561 -15.442  1.00  1.00           C
+ATOM   1008  NZ  LYS    67      16.446  10.068 -14.962  1.00  1.00           N
+ATOM   1011  HB2 LYS    67      10.898  10.979 -14.640  1.00  1.00           H
+ATOM   1012  HB3 LYS    67      11.943  10.615 -13.282  1.00  1.00           H
+ATOM   1013  HG2 LYS    67      12.527   8.803 -15.497  1.00  1.00           H
+ATOM   1014  HG3 LYS    67      12.591  10.463 -16.053  1.00  1.00           H
+ATOM   1015  HD2 LYS    67      14.162  11.044 -14.218  1.00  1.00           H
+ATOM   1016  HD3 LYS    67      14.056   9.414 -13.584  1.00  1.00           H
+ATOM   1017  HE2 LYS    67      15.167   8.474 -15.504  1.00  1.00           H
+ATOM   1018  HE3 LYS    67      14.947   9.933 -16.448  1.00  1.00           H
+ATOM   1019  HZ1 LYS    67      16.425  10.155 -13.967  1.00  1.00           H
+ATOM   1020  HZ2 LYS    67      17.169   9.429 -15.226  1.00  1.00           H
+ATOM   1021  HZ3 LYS    67      16.628  10.963 -15.370  1.00  1.00           H
+ATOM   1022  N   LEU    68       8.385   9.292 -14.584  1.00  1.00           N
+ATOM   1023  CA  LEU    68       7.232   9.131 -15.455  1.00  1.00           C
+ATOM   1024  C   LEU    68       7.039  10.406 -16.277  1.00  1.00           C
+ATOM   1025  O   LEU    68       6.735  11.464 -15.728  1.00  1.00           O
+ATOM   1030  H   LEU    68       8.227   9.855 -13.773  1.00  1.00           H
+ATOM   1031  HA  LEU    68       7.451   8.309 -16.136  1.00  1.00           H
+ATOM   1026  CB  LEU    68       6.000   8.730 -14.642  1.00  1.00           C
+ATOM   1027  CG  LEU    68       6.165   7.516 -13.726  1.00  1.00           C
+ATOM   1028  CD1 LEU    68       7.090   7.839 -12.550  1.00  1.00           C
+ATOM   1029  CD2 LEU    68       4.805   6.992 -13.259  1.00  1.00           C
+ATOM   1032  HB2 LEU    68       5.698   9.582 -14.033  1.00  1.00           H
+ATOM   1033  HB3 LEU    68       5.183   8.530 -15.334  1.00  1.00           H
+ATOM   1034  HG  LEU    68       6.638   6.718 -14.299  1.00  1.00           H
+ATOM   1035 HD11 LEU    68       6.980   8.888 -12.279  1.00  1.00           H
+ATOM   1036 HD12 LEU    68       6.825   7.213 -11.698  1.00  1.00           H
+ATOM   1037 HD13 LEU    68       8.122   7.643 -12.837  1.00  1.00           H
+ATOM   1038 HD21 LEU    68       4.283   7.776 -12.710  1.00  1.00           H
+ATOM   1039 HD22 LEU    68       4.213   6.698 -14.126  1.00  1.00           H
+ATOM   1040 HD23 LEU    68       4.953   6.130 -12.610  1.00  1.00           H
+ATOM   1041  N   TYR    69       7.222  10.263 -17.582  1.00  1.00           N
+ATOM   1042  CA  TYR    69       7.072  11.390 -18.486  1.00  1.00           C
+ATOM   1043  C   TYR    69       6.158  11.033 -19.661  1.00  1.00           C
+ATOM   1044  O   TYR    69       6.419  10.072 -20.384  1.00  1.00           O
+ATOM   1053  H   TYR    69       7.468   9.399 -18.021  1.00  1.00           H
+ATOM   1054  HA  TYR    69       6.627  12.214 -17.928  1.00  1.00           H
+ATOM   1045  CB  TYR    69       8.473  11.694 -19.019  1.00  1.00           C
+ATOM   1046  CG  TYR    69       8.800  10.999 -20.344  1.00  1.00           C
+ATOM   1047  CD1 TYR    69       8.133  11.362 -21.497  1.00  1.00           C
+ATOM   1048  CD2 TYR    69       9.761  10.010 -20.385  1.00  1.00           C
+ATOM   1049  CE1 TYR    69       8.441  10.709 -22.741  1.00  1.00           C
+ATOM   1050  CE2 TYR    69      10.067   9.356 -21.630  1.00  1.00           C
+ATOM   1051  CZ  TYR    69       9.393   9.738 -22.747  1.00  1.00           C
+ATOM   1052  OH  TYR    69       9.683   9.121 -23.924  1.00  1.00           O
+ATOM   1055  HB2 TYR    69       8.575  12.772 -19.151  1.00  1.00           H
+ATOM   1056  HB3 TYR    69       9.208  11.393 -18.273  1.00  1.00           H
+ATOM   1057  HD1 TYR    69       7.376  12.145 -21.464  1.00  1.00           H
+ATOM   1058  HD2 TYR    69      10.286   9.722 -19.473  1.00  1.00           H
+ATOM   1059  HE1 TYR    69       7.923  10.987 -23.660  1.00  1.00           H
+ATOM   1060  HE2 TYR    69      10.824   8.572 -21.676  1.00  1.00           H
+ATOM   1061  HH  TYR    69      10.033   8.199 -23.750  1.00  1.00           H
+ATOM   1062  N   VAL    70       5.108  11.824 -19.816  1.00  1.00           N
+ATOM   1063  CA  VAL    70       4.156  11.604 -20.890  1.00  1.00           C
+ATOM   1064  C   VAL    70       4.654  12.299 -22.159  1.00  1.00           C
+ATOM   1065  O   VAL    70       4.284  11.915 -23.267  1.00  1.00           O
+ATOM   1069  H   VAL    70       4.904  12.603 -19.223  1.00  1.00           H
+ATOM   1070  HA  VAL    70       4.111  10.530 -21.073  1.00  1.00           H
+ATOM   1066  CB  VAL    70       2.763  12.071 -20.460  1.00  1.00           C
+ATOM   1067  CG1 VAL    70       1.695  11.589 -21.444  1.00  1.00           C
+ATOM   1068  CG2 VAL    70       2.446  11.606 -19.037  1.00  1.00           C
+ATOM   1071  HB  VAL    70       2.758  13.159 -20.465  1.00  1.00           H
+ATOM   1072 HG11 VAL    70       2.164  11.348 -22.399  1.00  1.00           H
+ATOM   1073 HG12 VAL    70       1.206  10.701 -21.045  1.00  1.00           H
+ATOM   1074 HG13 VAL    70       0.956  12.376 -21.591  1.00  1.00           H
+ATOM   1075 HG21 VAL    70       3.230  10.934 -18.689  1.00  1.00           H
+ATOM   1076 HG22 VAL    70       2.391  12.472 -18.377  1.00  1.00           H
+ATOM   1077 HG23 VAL    70       1.489  11.083 -19.031  1.00  1.00           H
+ATOM   1078  N   SER    71       5.483  13.310 -21.953  1.00  1.00           N
+ATOM   1079  CA  SER    71       6.036  14.064 -23.066  1.00  1.00           C
+ATOM   1080  C   SER    71       7.519  13.727 -23.241  1.00  1.00           C
+ATOM   1081  O   SER    71       7.898  13.055 -24.199  1.00  1.00           O
+ATOM   1084  H   SER    71       5.780  13.616 -21.048  1.00  1.00           H
+ATOM   1085  HA  SER    71       5.466  13.747 -23.940  1.00  1.00           H
+ATOM   1082  CB  SER    71       5.854  15.568 -22.858  1.00  1.00           C
+ATOM   1083  OG  SER    71       7.060  16.289 -23.097  1.00  1.00           O
+ATOM   1086  HB2 SER    71       5.074  15.934 -23.524  1.00  1.00           H
+ATOM   1087  HB3 SER    71       5.516  15.755 -21.839  1.00  1.00           H
+ATOM   1088  HG  SER    71       6.906  16.990 -23.793  1.00  1.00           H
+ATOM   1089  N   SER    72       8.317  14.210 -22.300  1.00  1.00           N
+ATOM   1090  CA  SER    72       9.750  13.970 -22.339  1.00  1.00           C
+ATOM   1091  C   SER    72      10.475  14.993 -21.463  1.00  1.00           C
+ATOM   1092  O   SER    72      11.269  14.623 -20.599  1.00  1.00           O
+ATOM   1095  H   SER    72       8.000  14.756 -21.524  1.00  1.00           H
+ATOM   1096  HA  SER    72       9.883  12.963 -21.943  1.00  1.00           H
+ATOM   1093  CB  SER    72      10.279  14.028 -23.774  1.00  1.00           C
+ATOM   1094  OG  SER    72       9.548  14.950 -24.576  1.00  1.00           O
+ATOM   1097  HB2 SER    72      11.332  14.313 -23.759  1.00  1.00           H
+ATOM   1098  HB3 SER    72      10.225  13.036 -24.221  1.00  1.00           H
+ATOM   1099  HG  SER    72       9.000  15.551 -23.993  1.00  1.00           H
+ATOM   1100  N   GLU    73      10.178  16.258 -21.716  1.00  1.00           N
+ATOM   1101  CA  GLU    73      10.792  17.337 -20.962  1.00  1.00           C
+ATOM   1102  C   GLU    73       9.960  17.656 -19.717  1.00  1.00           C
+ATOM   1103  O   GLU    73      10.317  18.537 -18.936  1.00  1.00           O
+ATOM   1109  H   GLU    73       9.531  16.551 -22.420  1.00  1.00           H
+ATOM   1110  HA  GLU    73      11.772  16.962 -20.665  1.00  1.00           H
+ATOM   1104  CB  GLU    73      10.975  18.581 -21.833  1.00  1.00           C
+ATOM   1105  CG  GLU    73      12.425  19.068 -21.795  1.00  1.00           C
+ATOM   1106  CD  GLU    73      12.650  20.198 -22.803  1.00  1.00           C
+ATOM   1107  OE1 GLU    73      11.966  20.169 -23.850  1.00  1.00           O
+ATOM   1108  OE2 GLU    73      13.499  21.065 -22.504  1.00  1.00           O
+ATOM   1111  HB2 GLU    73      10.691  18.355 -22.860  1.00  1.00           H
+ATOM   1112  HB3 GLU    73      10.312  19.374 -21.485  1.00  1.00           H
+ATOM   1113  HG2 GLU    73      12.669  19.418 -20.791  1.00  1.00           H
+ATOM   1114  HG3 GLU    73      13.097  18.241 -22.015  1.00  1.00           H
+ATOM   1115  N   SER    74       8.866  16.923 -19.572  1.00  1.00           N
+ATOM   1116  CA  SER    74       7.980  17.117 -18.438  1.00  1.00           C
+ATOM   1117  C   SER    74       7.836  15.809 -17.657  1.00  1.00           C
+ATOM   1118  O   SER    74       6.723  15.380 -17.356  1.00  1.00           O
+ATOM   1121  H   SER    74       8.583  16.209 -20.214  1.00  1.00           H
+ATOM   1122  HA  SER    74       8.461  17.878 -17.823  1.00  1.00           H
+ATOM   1119  CB  SER    74       6.606  17.617 -18.890  1.00  1.00           C
+ATOM   1120  OG  SER    74       6.683  18.359 -20.105  1.00  1.00           O
+ATOM   1123  HB2 SER    74       5.937  16.769 -19.024  1.00  1.00           H
+ATOM   1124  HB3 SER    74       6.176  18.245 -18.109  1.00  1.00           H
+ATOM   1125  HG  SER    74       5.892  18.964 -20.187  1.00  1.00           H
+ATOM   1126  N   ARG    75       8.979  15.211 -17.351  1.00  1.00           N
+ATOM   1127  CA  ARG    75       8.994  13.961 -16.611  1.00  1.00           C
+ATOM   1128  C   ARG    75       8.645  14.209 -15.142  1.00  1.00           C
+ATOM   1129  O   ARG    75       8.885  15.294 -14.618  1.00  1.00           O
+ATOM   1137  H   ARG    75       9.880  15.566 -17.600  1.00  1.00           H
+ATOM   1138  HA  ARG    75       8.239  13.340 -17.095  1.00  1.00           H
+ATOM   1130  CB  ARG    75      10.366  13.288 -16.694  1.00  1.00           C
+ATOM   1131  CG  ARG    75      11.490  14.321 -16.592  1.00  1.00           C
+ATOM   1132  CD  ARG    75      12.540  14.098 -17.683  1.00  1.00           C
+ATOM   1133  NE  ARG    75      13.504  15.221 -17.693  1.00  1.00           N
+ATOM   1134  CZ  ARG    75      14.416  15.436 -16.735  1.00  1.00           C
+ATOM   1135  NH1 ARG    75      14.492  14.608 -15.683  1.00  1.00           N
+ATOM   1136  NH2 ARG    75      15.251  16.481 -16.825  1.00  1.00           N
+ATOM   1139  HB2 ARG    75      10.465  12.556 -15.894  1.00  1.00           H
+ATOM   1140  HB3 ARG    75      10.452  12.744 -17.635  1.00  1.00           H
+ATOM   1141  HG2 ARG    75      11.076  15.325 -16.680  1.00  1.00           H
+ATOM   1142  HG3 ARG    75      11.961  14.255 -15.610  1.00  1.00           H
+ATOM   1143  HD2 ARG    75      13.064  13.159 -17.509  1.00  1.00           H
+ATOM   1144  HD3 ARG    75      12.055  14.018 -18.655  1.00  1.00           H
+ATOM   1145  HE  ARG    75      13.474  15.857 -18.463  1.00  1.00           H
+ATOM   1146 HH11 ARG    75      13.869  13.830 -15.615  1.00  1.00           H
+ATOM   1147 HH12 ARG    75      15.171  14.770 -14.968  1.00  1.00           H
+ATOM   1148 HH21 ARG    75      15.193  17.099 -17.611  1.00  1.00           H
+ATOM   1149 HH22 ARG    75      15.931  16.641 -16.111  1.00  1.00           H
+ATOM   1150  N   PHE    76       8.083  13.183 -14.519  1.00  1.00           N
+ATOM   1151  CA  PHE    76       7.698  13.276 -13.122  1.00  1.00           C
+ATOM   1152  C   PHE    76       8.022  11.980 -12.375  1.00  1.00           C
+ATOM   1153  O   PHE    76       7.671  10.893 -12.832  1.00  1.00           O
+ATOM   1161  H   PHE    76       7.891  12.303 -14.953  1.00  1.00           H
+ATOM   1162  HA  PHE    76       8.265  14.096 -12.683  1.00  1.00           H
+ATOM   1154  CB  PHE    76       6.185  13.505 -13.089  1.00  1.00           C
+ATOM   1155  CG  PHE    76       5.741  14.825 -13.722  1.00  1.00           C
+ATOM   1156  CD1 PHE    76       5.442  14.877 -15.047  1.00  1.00           C
+ATOM   1157  CD2 PHE    76       5.647  15.947 -12.959  1.00  1.00           C
+ATOM   1158  CE1 PHE    76       5.031  16.103 -15.635  1.00  1.00           C
+ATOM   1159  CE2 PHE    76       5.235  17.172 -13.546  1.00  1.00           C
+ATOM   1160  CZ  PHE    76       4.936  17.224 -14.872  1.00  1.00           C
+ATOM   1163  HB2 PHE    76       5.692  12.682 -13.606  1.00  1.00           H
+ATOM   1164  HB3 PHE    76       5.846  13.479 -12.053  1.00  1.00           H
+ATOM   1165  HD1 PHE    76       5.518  13.979 -15.659  1.00  1.00           H
+ATOM   1166  HD2 PHE    76       5.887  15.905 -11.896  1.00  1.00           H
+ATOM   1167  HE1 PHE    76       4.790  16.143 -16.697  1.00  1.00           H
+ATOM   1168  HE2 PHE    76       5.159  18.071 -12.936  1.00  1.00           H
+ATOM   1169  HZ  PHE    76       4.619  18.165 -15.323  1.00  1.00           H
+ATOM   1170  N   ASN    77       8.688  12.137 -11.242  1.00  1.00           N
+ATOM   1171  CA  ASN    77       9.063  10.994 -10.428  1.00  1.00           C
+ATOM   1172  C   ASN    77       7.801  10.351  -9.848  1.00  1.00           C
+ATOM   1173  O   ASN    77       7.713   9.127  -9.753  1.00  1.00           O
+ATOM   1178  H   ASN    77       8.969  13.025 -10.878  1.00  1.00           H
+ATOM   1179  HA  ASN    77       9.599  10.326 -11.102  1.00  1.00           H
+ATOM   1174  CB  ASN    77       9.957  11.416  -9.260  1.00  1.00           C
+ATOM   1175  CG  ASN    77      11.434  11.361  -9.653  1.00  1.00           C
+ATOM   1176  OD1 ASN    77      11.874  10.498 -10.396  1.00  1.00           O
+ATOM   1177  ND2 ASN    77      12.174  12.325  -9.114  1.00  1.00           N
+ATOM   1180  HB2 ASN    77       9.697  12.430  -8.948  1.00  1.00           H
+ATOM   1181  HB3 ASN    77       9.778  10.764  -8.406  1.00  1.00           H
+ATOM   1182 HD21 ASN    77      11.750  13.004  -8.512  1.00  1.00           H
+ATOM   1183 HD22 ASN    77      13.153  12.373  -9.310  1.00  1.00           H
+ATOM   1184  N   THR    78       6.858  11.202  -9.476  1.00  1.00           N
+ATOM   1185  CA  THR    78       5.606  10.732  -8.909  1.00  1.00           C
+ATOM   1186  C   THR    78       4.444  11.032  -9.858  1.00  1.00           C
+ATOM   1187  O   THR    78       4.234  12.180 -10.245  1.00  1.00           O
+ATOM   1191  H   THR    78       6.938  12.197  -9.558  1.00  1.00           H
+ATOM   1192  HA  THR    78       5.661   9.649  -8.805  1.00  1.00           H
+ATOM   1188  CB  THR    78       5.442  11.370  -7.528  1.00  1.00           C
+ATOM   1189  OG1 THR    78       5.958  12.688  -7.693  1.00  1.00           O
+ATOM   1190  CG2 THR    78       6.359  10.740  -6.480  1.00  1.00           C
+ATOM   1193  HB  THR    78       4.402  11.339  -7.206  1.00  1.00           H
+ATOM   1194  HG1 THR    78       6.257  13.051  -6.809  1.00  1.00           H
+ATOM   1195 HG21 THR    78       6.712   9.773  -6.839  1.00  1.00           H
+ATOM   1196 HG22 THR    78       7.213  11.394  -6.301  1.00  1.00           H
+ATOM   1197 HG23 THR    78       5.808  10.601  -5.550  1.00  1.00           H
+ATOM   1198  N   LEU    79       3.718   9.979 -10.206  1.00  1.00           N
+ATOM   1199  CA  LEU    79       2.583  10.114 -11.103  1.00  1.00           C
+ATOM   1200  C   LEU    79       1.755  11.333 -10.688  1.00  1.00           C
+ATOM   1201  O   LEU    79       1.428  12.178 -11.519  1.00  1.00           O
+ATOM   1206  H   LEU    79       3.895   9.047  -9.886  1.00  1.00           H
+ATOM   1207  HA  LEU    79       2.977  10.289 -12.103  1.00  1.00           H
+ATOM   1202  CB  LEU    79       1.781   8.813 -11.152  1.00  1.00           C
+ATOM   1203  CG  LEU    79       1.635   8.063  -9.827  1.00  1.00           C
+ATOM   1204  CD1 LEU    79       0.255   7.415  -9.712  1.00  1.00           C
+ATOM   1205  CD2 LEU    79       2.764   7.045  -9.646  1.00  1.00           C
+ATOM   1208  HB2 LEU    79       0.784   9.038 -11.531  1.00  1.00           H
+ATOM   1209  HB3 LEU    79       2.254   8.146 -11.874  1.00  1.00           H
+ATOM   1210  HG  LEU    79       1.721   8.786  -9.015  1.00  1.00           H
+ATOM   1211 HD11 LEU    79      -0.364   7.726 -10.554  1.00  1.00           H
+ATOM   1212 HD12 LEU    79       0.360   6.330  -9.719  1.00  1.00           H
+ATOM   1213 HD13 LEU    79      -0.218   7.728  -8.780  1.00  1.00           H
+ATOM   1214 HD21 LEU    79       3.311   6.939 -10.583  1.00  1.00           H
+ATOM   1215 HD22 LEU    79       3.442   7.389  -8.865  1.00  1.00           H
+ATOM   1216 HD23 LEU    79       2.341   6.082  -9.361  1.00  1.00           H
+ATOM   1217  N   ALA    80       1.439  11.383  -9.403  1.00  1.00           N
+ATOM   1218  CA  ALA    80       0.655  12.483  -8.867  1.00  1.00           C
+ATOM   1219  C   ALA    80       1.202  13.805  -9.409  1.00  1.00           C
+ATOM   1220  O   ALA    80       0.455  14.608  -9.967  1.00  1.00           O
+ATOM   1222  H   ALA    80       1.709  10.692  -8.733  1.00  1.00           H
+ATOM   1223  HA  ALA    80      -0.372  12.357  -9.210  1.00  1.00           H
+ATOM   1221  CB  ALA    80       0.674  12.427  -7.338  1.00  1.00           C
+ATOM   1224  HB1 ALA    80       1.318  11.611  -7.012  1.00  1.00           H
+ATOM   1225  HB2 ALA    80       1.054  13.371  -6.945  1.00  1.00           H
+ATOM   1226  HB3 ALA    80      -0.339  12.262  -6.969  1.00  1.00           H
+ATOM   1227  N   GLU    81       2.501  13.989  -9.228  1.00  1.00           N
+ATOM   1228  CA  GLU    81       3.158  15.200  -9.694  1.00  1.00           C
+ATOM   1229  C   GLU    81       2.840  15.442 -11.170  1.00  1.00           C
+ATOM   1230  O   GLU    81       2.711  16.587 -11.600  1.00  1.00           O
+ATOM   1236  H   GLU    81       3.102  13.330  -8.775  1.00  1.00           H
+ATOM   1237  HA  GLU    81       2.742  16.005  -9.088  1.00  1.00           H
+ATOM   1231  CB  GLU    81       4.668  15.128  -9.461  1.00  1.00           C
+ATOM   1232  CG  GLU    81       5.178  16.395  -8.774  1.00  1.00           C
+ATOM   1233  CD  GLU    81       6.517  16.140  -8.080  1.00  1.00           C
+ATOM   1234  OE1 GLU    81       7.430  15.643  -8.772  1.00  1.00           O
+ATOM   1235  OE2 GLU    81       6.599  16.451  -6.871  1.00  1.00           O
+ATOM   1238  HB2 GLU    81       4.906  14.258  -8.850  1.00  1.00           H
+ATOM   1239  HB3 GLU    81       5.180  14.997 -10.416  1.00  1.00           H
+ATOM   1240  HG2 GLU    81       5.292  17.192  -9.509  1.00  1.00           H
+ATOM   1241  HG3 GLU    81       4.445  16.737  -8.043  1.00  1.00           H
+ATOM   1242  N   LEU    82       2.722  14.347 -11.905  1.00  1.00           N
+ATOM   1243  CA  LEU    82       2.421  14.426 -13.324  1.00  1.00           C
+ATOM   1244  C   LEU    82       1.009  14.986 -13.511  1.00  1.00           C
+ATOM   1245  O   LEU    82       0.825  16.011 -14.164  1.00  1.00           O
+ATOM   1250  H   LEU    82       2.827  13.420 -11.547  1.00  1.00           H
+ATOM   1251  HA  LEU    82       3.130  15.124 -13.770  1.00  1.00           H
+ATOM   1246  CB  LEU    82       2.639  13.069 -13.995  1.00  1.00           C
+ATOM   1247  CG  LEU    82       2.410  13.024 -15.507  1.00  1.00           C
+ATOM   1248  CD1 LEU    82       3.637  12.467 -16.232  1.00  1.00           C
+ATOM   1249  CD2 LEU    82       1.140  12.240 -15.845  1.00  1.00           C
+ATOM   1252  HB2 LEU    82       3.661  12.746 -13.794  1.00  1.00           H
+ATOM   1253  HB3 LEU    82       1.977  12.343 -13.526  1.00  1.00           H
+ATOM   1254  HG  LEU    82       2.262  14.044 -15.861  1.00  1.00           H
+ATOM   1255 HD11 LEU    82       4.464  12.374 -15.527  1.00  1.00           H
+ATOM   1256 HD12 LEU    82       3.400  11.487 -16.646  1.00  1.00           H
+ATOM   1257 HD13 LEU    82       3.920  13.144 -17.038  1.00  1.00           H
+ATOM   1258 HD21 LEU    82       1.071  11.364 -15.200  1.00  1.00           H
+ATOM   1259 HD22 LEU    82       0.268  12.876 -15.690  1.00  1.00           H
+ATOM   1260 HD23 LEU    82       1.175  11.921 -16.887  1.00  1.00           H
+ATOM   1261  N   VAL    83       0.048  14.286 -12.926  1.00  1.00           N
+ATOM   1262  CA  VAL    83      -1.342  14.698 -13.022  1.00  1.00           C
+ATOM   1263  C   VAL    83      -1.466  16.160 -12.583  1.00  1.00           C
+ATOM   1264  O   VAL    83      -2.320  16.890 -13.082  1.00  1.00           O
+ATOM   1268  H   VAL    83       0.206  13.452 -12.398  1.00  1.00           H
+ATOM   1269  HA  VAL    83      -1.638  14.620 -14.068  1.00  1.00           H
+ATOM   1265  CB  VAL    83      -2.225  13.752 -12.206  1.00  1.00           C
+ATOM   1266  CG1 VAL    83      -3.279  14.531 -11.414  1.00  1.00           C
+ATOM   1267  CG2 VAL    83      -2.882  12.704 -13.106  1.00  1.00           C
+ATOM   1270  HB  VAL    83      -1.589  13.231 -11.492  1.00  1.00           H
+ATOM   1271 HG11 VAL    83      -3.619  15.383 -12.003  1.00  1.00           H
+ATOM   1272 HG12 VAL    83      -4.124  13.879 -11.194  1.00  1.00           H
+ATOM   1273 HG13 VAL    83      -2.841  14.886 -10.480  1.00  1.00           H
+ATOM   1274 HG21 VAL    83      -3.094  13.143 -14.081  1.00  1.00           H
+ATOM   1275 HG22 VAL    83      -2.208  11.856 -13.228  1.00  1.00           H
+ATOM   1276 HG23 VAL    83      -3.812  12.364 -12.650  1.00  1.00           H
+ATOM   1277  N   HIS    84      -0.601  16.541 -11.655  1.00  1.00           N
+ATOM   1278  CA  HIS    84      -0.603  17.900 -11.144  1.00  1.00           C
+ATOM   1279  C   HIS    84      -0.306  18.877 -12.283  1.00  1.00           C
+ATOM   1280  O   HIS    84      -1.014  19.868 -12.459  1.00  1.00           O
+ATOM   1287  H   HIS    84       0.091  15.940 -11.255  1.00  1.00           H
+ATOM   1288  HA  HIS    84      -1.607  18.092 -10.766  1.00  1.00           H
+ATOM   1281  CB  HIS    84       0.370  18.042  -9.971  1.00  1.00           C
+ATOM   1282  CG  HIS    84      -0.290  18.430  -8.669  1.00  1.00           C
+ATOM   1283  ND1 HIS    84      -1.604  18.117  -8.373  1.00  1.00           N
+ATOM   1284  CD2 HIS    84       0.199  19.107  -7.590  1.00  1.00           C
+ATOM   1285  CE1 HIS    84      -1.886  18.590  -7.167  1.00  1.00           C
+ATOM   1286  NE2 HIS    84      -0.767  19.203  -6.684  1.00  1.00           N
+ATOM   1289  HB2 HIS    84       0.895  17.098  -9.833  1.00  1.00           H
+ATOM   1290  HB3 HIS    84       1.120  18.791 -10.223  1.00  1.00           H
+ATOM   1291  HD1 HIS    84      -2.236  17.619  -8.967  1.00  1.00           H
+ATOM   1292  HD2 HIS    84       1.211  19.500  -7.489  1.00  1.00           H
+ATOM   1293  HE1 HIS    84      -2.843  18.504  -6.652  1.00  1.00           H
+ATOM   1294  N   HIS    85       0.745  18.565 -13.028  1.00  1.00           N
+ATOM   1295  CA  HIS    85       1.145  19.403 -14.145  1.00  1.00           C
+ATOM   1296  C   HIS    85       0.137  19.255 -15.286  1.00  1.00           C
+ATOM   1297  O   HIS    85      -0.302  20.248 -15.863  1.00  1.00           O
+ATOM   1304  H   HIS    85       1.316  17.758 -12.879  1.00  1.00           H
+ATOM   1305  HA  HIS    85       1.128  20.433 -13.786  1.00  1.00           H
+ATOM   1298  CB  HIS    85       2.579  19.084 -14.576  1.00  1.00           C
+ATOM   1299  CG  HIS    85       2.956  19.656 -15.922  1.00  1.00           C
+ATOM   1300  ND1 HIS    85       2.912  21.011 -16.200  1.00  1.00           N
+ATOM   1301  CD2 HIS    85       3.386  19.043 -17.062  1.00  1.00           C
+ATOM   1302  CE1 HIS    85       3.299  21.194 -17.454  1.00  1.00           C
+ATOM   1303  NE2 HIS    85       3.591  19.973 -17.987  1.00  1.00           N
+ATOM   1306  HB2 HIS    85       3.268  19.468 -13.823  1.00  1.00           H
+ATOM   1307  HB3 HIS    85       2.707  18.002 -14.604  1.00  1.00           H
+ATOM   1308  HD1 HIS    85       2.635  21.730 -15.563  1.00  1.00           H
+ATOM   1309  HD2 HIS    85       3.536  17.971 -17.191  1.00  1.00           H
+ATOM   1310  HE1 HIS    85       3.370  22.152 -17.970  1.00  1.00           H
+ATOM   1311  N   HIS    86      -0.203  18.007 -15.575  1.00  1.00           N
+ATOM   1312  CA  HIS    86      -1.152  17.718 -16.636  1.00  1.00           C
+ATOM   1313  C   HIS    86      -2.535  18.239 -16.243  1.00  1.00           C
+ATOM   1314  O   HIS    86      -3.487  18.127 -17.015  1.00  1.00           O
+ATOM   1321  H   HIS    86       0.159  17.206 -15.099  1.00  1.00           H
+ATOM   1322  HA  HIS    86      -0.807  18.252 -17.519  1.00  1.00           H
+ATOM   1315  CB  HIS    86      -1.154  16.223 -16.967  1.00  1.00           C
+ATOM   1316  CG  HIS    86       0.066  15.760 -17.726  1.00  1.00           C
+ATOM   1317  ND1 HIS    86       0.926  16.635 -18.368  1.00  1.00           N
+ATOM   1318  CD2 HIS    86       0.562  14.508 -17.941  1.00  1.00           C
+ATOM   1319  CE1 HIS    86       1.891  15.930 -18.940  1.00  1.00           C
+ATOM   1320  NE2 HIS    86       1.663  14.611 -18.673  1.00  1.00           N
+ATOM   1323  HB2 HIS    86      -1.230  15.656 -16.039  1.00  1.00           H
+ATOM   1324  HB3 HIS    86      -2.044  15.993 -17.555  1.00  1.00           H
+ATOM   1325  HD1 HIS    86       0.834  17.631 -18.396  1.00  1.00           H
+ATOM   1326  HD2 HIS    86       0.125  13.579 -17.572  1.00  1.00           H
+ATOM   1327  HE1 HIS    86       2.721  16.332 -19.519  1.00  1.00           H
+ATOM   1328  N   SER    87      -2.604  18.799 -15.044  1.00  1.00           N
+ATOM   1329  CA  SER    87      -3.855  19.339 -14.540  1.00  1.00           C
+ATOM   1330  C   SER    87      -4.174  20.662 -15.241  1.00  1.00           C
+ATOM   1331  O   SER    87      -5.330  20.938 -15.557  1.00  1.00           O
+ATOM   1334  H   SER    87      -1.824  18.886 -14.423  1.00  1.00           H
+ATOM   1335  HA  SER    87      -4.609  18.590 -14.777  1.00  1.00           H
+ATOM   1332  CB  SER    87      -3.796  19.542 -13.025  1.00  1.00           C
+ATOM   1333  OG  SER    87      -3.581  20.907 -12.677  1.00  1.00           O
+ATOM   1336  HB2 SER    87      -4.728  19.197 -12.577  1.00  1.00           H
+ATOM   1337  HB3 SER    87      -2.996  18.930 -12.607  1.00  1.00           H
+ATOM   1338  HG  SER    87      -4.430  21.313 -12.341  1.00  1.00           H
+ATOM   1339  N   THR    88      -3.127  21.444 -15.464  1.00  1.00           N
+ATOM   1340  CA  THR    88      -3.282  22.730 -16.121  1.00  1.00           C
+ATOM   1341  C   THR    88      -2.556  22.731 -17.468  1.00  1.00           C
+ATOM   1342  O   THR    88      -2.972  23.416 -18.401  1.00  1.00           O
+ATOM   1346  H   THR    88      -2.190  21.212 -15.204  1.00  1.00           H
+ATOM   1347  HA  THR    88      -4.340  22.886 -16.329  1.00  1.00           H
+ATOM   1343  CB  THR    88      -2.784  23.814 -15.163  1.00  1.00           C
+ATOM   1344  OG1 THR    88      -1.481  23.375 -14.790  1.00  1.00           O
+ATOM   1345  CG2 THR    88      -3.562  23.832 -13.846  1.00  1.00           C
+ATOM   1348  HB  THR    88      -2.802  24.793 -15.640  1.00  1.00           H
+ATOM   1349  HG1 THR    88      -1.008  24.098 -14.285  1.00  1.00           H
+ATOM   1350 HG21 THR    88      -4.031  22.861 -13.687  1.00  1.00           H
+ATOM   1351 HG22 THR    88      -2.880  24.046 -13.023  1.00  1.00           H
+ATOM   1352 HG23 THR    88      -4.332  24.603 -13.889  1.00  1.00           H
+ATOM   1353  N   VAL    89      -1.484  21.956 -17.528  1.00  1.00           N
+ATOM   1354  CA  VAL    89      -0.696  21.858 -18.744  1.00  1.00           C
+ATOM   1355  C   VAL    89      -0.487  20.383 -19.095  1.00  1.00           C
+ATOM   1356  O   VAL    89       0.531  19.794 -18.731  1.00  1.00           O
+ATOM   1360  H   VAL    89      -1.152  21.401 -16.764  1.00  1.00           H
+ATOM   1361  HA  VAL    89      -1.267  22.331 -19.543  1.00  1.00           H
+ATOM   1357  CB  VAL    89       0.617  22.627 -18.581  1.00  1.00           C
+ATOM   1358  CG1 VAL    89       1.448  22.570 -19.864  1.00  1.00           C
+ATOM   1359  CG2 VAL    89       0.356  24.074 -18.161  1.00  1.00           C
+ATOM   1362  HB  VAL    89       1.190  22.145 -17.789  1.00  1.00           H
+ATOM   1363 HG11 VAL    89       1.316  21.598 -20.340  1.00  1.00           H
+ATOM   1364 HG12 VAL    89       1.119  23.355 -20.546  1.00  1.00           H
+ATOM   1365 HG13 VAL    89       2.500  22.717 -19.622  1.00  1.00           H
+ATOM   1366 HG21 VAL    89      -0.250  24.569 -18.919  1.00  1.00           H
+ATOM   1367 HG22 VAL    89      -0.174  24.086 -17.207  1.00  1.00           H
+ATOM   1368 HG23 VAL    89       1.306  24.599 -18.055  1.00  1.00           H
+ATOM   1369  N   ALA    90      -1.465  19.829 -19.795  1.00  1.00           N
+ATOM   1370  CA  ALA    90      -1.400  18.435 -20.197  1.00  1.00           C
+ATOM   1371  C   ALA    90      -0.366  18.278 -21.314  1.00  1.00           C
+ATOM   1372  O   ALA    90      -0.724  18.048 -22.469  1.00  1.00           O
+ATOM   1374  H   ALA    90      -2.289  20.314 -20.085  1.00  1.00           H
+ATOM   1375  HA  ALA    90      -1.079  17.854 -19.333  1.00  1.00           H
+ATOM   1373  CB  ALA    90      -2.792  17.961 -20.621  1.00  1.00           C
+ATOM   1376  HB1 ALA    90      -3.158  18.587 -21.433  1.00  1.00           H
+ATOM   1377  HB2 ALA    90      -2.736  16.925 -20.957  1.00  1.00           H
+ATOM   1378  HB3 ALA    90      -3.473  18.030 -19.773  1.00  1.00           H
+ATOM   1379  N   ASP    91       0.896  18.409 -20.933  1.00  1.00           N
+ATOM   1380  CA  ASP    91       1.984  18.285 -21.887  1.00  1.00           C
+ATOM   1381  C   ASP    91       2.235  16.805 -22.178  1.00  1.00           C
+ATOM   1382  O   ASP    91       3.381  16.361 -22.217  1.00  1.00           O
+ATOM   1387  H   ASP    91       1.179  18.595 -19.991  1.00  1.00           H
+ATOM   1388  HA  ASP    91       1.655  18.834 -22.768  1.00  1.00           H
+ATOM   1383  CB  ASP    91       3.277  18.881 -21.327  1.00  1.00           C
+ATOM   1384  CG  ASP    91       3.609  20.289 -21.828  1.00  1.00           C
+ATOM   1385  OD1 ASP    91       3.156  20.614 -22.947  1.00  1.00           O
+ATOM   1386  OD2 ASP    91       4.309  21.007 -21.082  1.00  1.00           O
+ATOM   1389  HB2 ASP    91       3.208  18.907 -20.240  1.00  1.00           H
+ATOM   1390  HB3 ASP    91       4.105  18.218 -21.580  1.00  1.00           H
+ATOM   1391  N   GLY    92       1.142  16.080 -22.376  1.00  1.00           N
+ATOM   1392  CA  GLY    92       1.229  14.658 -22.663  1.00  1.00           C
+ATOM   1393  C   GLY    92      -0.161  14.060 -22.895  1.00  1.00           C
+ATOM   1394  O   GLY    92      -0.467  13.602 -23.996  1.00  1.00           O
+ATOM   1395  H   GLY    92       0.213  16.448 -22.343  1.00  1.00           H
+ATOM   1396  HA2 GLY    92       1.849  14.500 -23.545  1.00  1.00           H
+ATOM   1397  HA3 GLY    92       1.716  14.146 -21.834  1.00  1.00           H
+ATOM   1398  N   LEU    93      -0.963  14.083 -21.841  1.00  1.00           N
+ATOM   1399  CA  LEU    93      -2.312  13.549 -21.917  1.00  1.00           C
+ATOM   1400  C   LEU    93      -3.175  14.476 -22.776  1.00  1.00           C
+ATOM   1401  O   LEU    93      -3.077  15.697 -22.670  1.00  1.00           O
+ATOM   1406  H   LEU    93      -0.705  14.458 -20.951  1.00  1.00           H
+ATOM   1407  HA  LEU    93      -2.252  12.578 -22.408  1.00  1.00           H
+ATOM   1402  CB  LEU    93      -2.873  13.312 -20.514  1.00  1.00           C
+ATOM   1403  CG  LEU    93      -1.846  13.254 -19.381  1.00  1.00           C
+ATOM   1404  CD1 LEU    93      -2.522  13.414 -18.018  1.00  1.00           C
+ATOM   1405  CD2 LEU    93      -1.015  11.970 -19.462  1.00  1.00           C
+ATOM   1408  HB2 LEU    93      -3.585  14.107 -20.289  1.00  1.00           H
+ATOM   1409  HB3 LEU    93      -3.431  12.377 -20.520  1.00  1.00           H
+ATOM   1410  HG  LEU    93      -1.157  14.089 -19.500  1.00  1.00           H
+ATOM   1411 HD11 LEU    93      -3.070  14.355 -17.993  1.00  1.00           H
+ATOM   1412 HD12 LEU    93      -3.214  12.586 -17.856  1.00  1.00           H
+ATOM   1413 HD13 LEU    93      -1.765  13.413 -17.235  1.00  1.00           H
+ATOM   1414 HD21 LEU    93      -1.679  11.106 -19.451  1.00  1.00           H
+ATOM   1415 HD22 LEU    93      -0.434  11.972 -20.384  1.00  1.00           H
+ATOM   1416 HD23 LEU    93      -0.340  11.920 -18.606  1.00  1.00           H
+ATOM   1417  N   ILE    94      -4.001  13.858 -23.609  1.00  1.00           N
+ATOM   1418  CA  ILE    94      -4.881  14.611 -24.485  1.00  1.00           C
+ATOM   1419  C   ILE    94      -5.547  15.735 -23.689  1.00  1.00           C
+ATOM   1420  O   ILE    94      -5.095  16.878 -23.724  1.00  1.00           O
+ATOM   1425  H   ILE    94      -4.074  12.863 -23.689  1.00  1.00           H
+ATOM   1426  HA  ILE    94      -4.263  15.059 -25.263  1.00  1.00           H
+ATOM   1421  CB  ILE    94      -5.874  13.677 -25.179  1.00  1.00           C
+ATOM   1422  CG1 ILE    94      -7.040  14.464 -25.780  1.00  1.00           C
+ATOM   1423  CG2 ILE    94      -6.354  12.581 -24.225  1.00  1.00           C
+ATOM   1424  CD1 ILE    94      -7.933  13.559 -26.633  1.00  1.00           C
+ATOM   1427  HB  ILE    94      -5.361  13.183 -26.004  1.00  1.00           H
+ATOM   1428 HG12 ILE    94      -7.629  14.915 -24.981  1.00  1.00           H
+ATOM   1429 HG13 ILE    94      -6.656  15.281 -26.391  1.00  1.00           H
+ATOM   1430 HG21 ILE    94      -5.998  12.795 -23.217  1.00  1.00           H
+ATOM   1431 HG22 ILE    94      -7.444  12.550 -24.226  1.00  1.00           H
+ATOM   1432 HG23 ILE    94      -5.963  11.618 -24.552  1.00  1.00           H
+ATOM   1433 HD11 ILE    94      -8.163  12.650 -26.077  1.00  1.00           H
+ATOM   1434 HD12 ILE    94      -8.857  14.082 -26.872  1.00  1.00           H
+ATOM   1435 HD13 ILE    94      -7.411  13.300 -27.554  1.00  1.00           H
+ATOM   1436  N   THR    95      -6.613  15.371 -22.991  1.00  1.00           N
+ATOM   1437  CA  THR    95      -7.346  16.335 -22.187  1.00  1.00           C
+ATOM   1438  C   THR    95      -6.608  16.607 -20.875  1.00  1.00           C
+ATOM   1439  O   THR    95      -5.590  15.976 -20.589  1.00  1.00           O
+ATOM   1443  H   THR    95      -6.975  14.440 -22.968  1.00  1.00           H
+ATOM   1444  HA  THR    95      -7.386  17.277 -22.733  1.00  1.00           H
+ATOM   1440  CB  THR    95      -8.766  15.800 -21.987  1.00  1.00           C
+ATOM   1441  OG1 THR    95      -9.591  16.749 -22.657  1.00  1.00           O
+ATOM   1442  CG2 THR    95      -9.218  15.876 -20.527  1.00  1.00           C
+ATOM   1445  HB  THR    95      -8.857  14.785 -22.371  1.00  1.00           H
+ATOM   1446  HG1 THR    95     -10.554  16.560 -22.464  1.00  1.00           H
+ATOM   1447 HG21 THR    95      -8.417  15.520 -19.879  1.00  1.00           H
+ATOM   1448 HG22 THR    95      -9.459  16.908 -20.274  1.00  1.00           H
+ATOM   1449 HG23 THR    95     -10.102  15.252 -20.388  1.00  1.00           H
+ATOM   1450  N   THR    96      -7.149  17.546 -20.113  1.00  1.00           N
+ATOM   1451  CA  THR    96      -6.555  17.908 -18.837  1.00  1.00           C
+ATOM   1452  C   THR    96      -7.405  17.376 -17.683  1.00  1.00           C
+ATOM   1453  O   THR    96      -8.620  17.563 -17.664  1.00  1.00           O
+ATOM   1457  H   THR    96      -7.976  18.053 -20.353  1.00  1.00           H
+ATOM   1458  HA  THR    96      -5.579  17.427 -18.764  1.00  1.00           H
+ATOM   1454  CB  THR    96      -6.379  19.428 -18.814  1.00  1.00           C
+ATOM   1455  OG1 THR    96      -7.649  19.918 -18.394  1.00  1.00           O
+ATOM   1456  CG2 THR    96      -6.194  20.018 -20.213  1.00  1.00           C
+ATOM   1459  HB  THR    96      -5.556  19.714 -18.159  1.00  1.00           H
+ATOM   1460  HG1 THR    96      -8.332  19.748 -19.104  1.00  1.00           H
+ATOM   1461 HG21 THR    96      -5.464  19.425 -20.764  1.00  1.00           H
+ATOM   1462 HG22 THR    96      -7.148  20.004 -20.742  1.00  1.00           H
+ATOM   1463 HG23 THR    96      -5.842  21.046 -20.131  1.00  1.00           H
+ATOM   1464  N   LEU    97      -6.732  16.725 -16.745  1.00  1.00           N
+ATOM   1465  CA  LEU    97      -7.409  16.166 -15.589  1.00  1.00           C
+ATOM   1466  C   LEU    97      -8.477  17.149 -15.103  1.00  1.00           C
+ATOM   1467  O   LEU    97      -8.290  18.361 -15.180  1.00  1.00           O
+ATOM   1472  H   LEU    97      -5.742  16.579 -16.767  1.00  1.00           H
+ATOM   1473  HA  LEU    97      -7.904  15.250 -15.912  1.00  1.00           H
+ATOM   1468  CB  LEU    97      -6.396  15.776 -14.510  1.00  1.00           C
+ATOM   1469  CG  LEU    97      -5.453  14.623 -14.860  1.00  1.00           C
+ATOM   1470  CD1 LEU    97      -4.014  15.118 -15.007  1.00  1.00           C
+ATOM   1471  CD2 LEU    97      -5.570  13.491 -13.837  1.00  1.00           C
+ATOM   1474  HB2 LEU    97      -5.793  16.653 -14.272  1.00  1.00           H
+ATOM   1475  HB3 LEU    97      -6.944  15.512 -13.606  1.00  1.00           H
+ATOM   1476  HG  LEU    97      -5.755  14.217 -15.825  1.00  1.00           H
+ATOM   1477 HD11 LEU    97      -4.016  16.116 -15.445  1.00  1.00           H
+ATOM   1478 HD12 LEU    97      -3.539  15.152 -14.026  1.00  1.00           H
+ATOM   1479 HD13 LEU    97      -3.461  14.438 -15.654  1.00  1.00           H
+ATOM   1480 HD21 LEU    97      -6.620  13.237 -13.694  1.00  1.00           H
+ATOM   1481 HD22 LEU    97      -5.030  12.616 -14.200  1.00  1.00           H
+ATOM   1482 HD23 LEU    97      -5.141  13.814 -12.887  1.00  1.00           H
+ATOM   1483  N   HIS    98      -9.573  16.588 -14.615  1.00  1.00           N
+ATOM   1484  CA  HIS    98     -10.671  17.400 -14.118  1.00  1.00           C
+ATOM   1485  C   HIS    98     -11.194  16.808 -12.807  1.00  1.00           C
+ATOM   1486  O   HIS    98     -10.879  17.306 -11.728  1.00  1.00           O
+ATOM   1493  H   HIS    98      -9.718  15.600 -14.556  1.00  1.00           H
+ATOM   1494  HA  HIS    98     -10.264  18.391 -13.921  1.00  1.00           H
+ATOM   1487  CB  HIS    98     -11.763  17.547 -15.179  1.00  1.00           C
+ATOM   1488  CG  HIS    98     -12.718  18.689 -14.926  1.00  1.00           C
+ATOM   1489  ND1 HIS    98     -12.291  19.981 -14.679  1.00  1.00           N
+ATOM   1490  CD2 HIS    98     -14.080  18.719 -14.884  1.00  1.00           C
+ATOM   1491  CE1 HIS    98     -13.356  20.747 -14.497  1.00  1.00           C
+ATOM   1492  NE2 HIS    98     -14.464  19.962 -14.624  1.00  1.00           N
+ATOM   1495  HB2 HIS    98     -11.293  17.689 -16.153  1.00  1.00           H
+ATOM   1496  HB3 HIS    98     -12.331  16.618 -15.233  1.00  1.00           H
+ATOM   1497  HD1 HIS    98     -11.338  20.287 -14.642  1.00  1.00           H
+ATOM   1498  HD2 HIS    98     -14.742  17.867 -15.038  1.00  1.00           H
+ATOM   1499  HE1 HIS    98     -13.348  21.816 -14.283  1.00  1.00           H
+ATOM   1500  N   TYR    99     -11.984  15.754 -12.945  1.00  1.00           N
+ATOM   1501  CA  TYR    99     -12.554  15.090 -11.786  1.00  1.00           C
+ATOM   1502  C   TYR    99     -11.973  13.684 -11.618  1.00  1.00           C
+ATOM   1503  O   TYR    99     -12.352  12.762 -12.339  1.00  1.00           O
+ATOM   1512  H   TYR    99     -12.237  15.355 -13.827  1.00  1.00           H
+ATOM   1513  HA  TYR    99     -12.311  15.683 -10.904  1.00  1.00           H
+ATOM   1504  CB  TYR    99     -14.056  14.979 -12.058  1.00  1.00           C
+ATOM   1505  CG  TYR    99     -14.805  16.312 -11.970  1.00  1.00           C
+ATOM   1506  CD1 TYR    99     -14.108  17.479 -11.734  1.00  1.00           C
+ATOM   1507  CD2 TYR    99     -16.175  16.343 -12.124  1.00  1.00           C
+ATOM   1508  CE1 TYR    99     -14.814  18.732 -11.651  1.00  1.00           C
+ATOM   1509  CE2 TYR    99     -16.880  17.596 -12.042  1.00  1.00           C
+ATOM   1510  CZ  TYR    99     -16.164  18.729 -11.808  1.00  1.00           C
+ATOM   1511  OH  TYR    99     -16.830  19.913 -11.730  1.00  1.00           O
+ATOM   1514  HB2 TYR    99     -14.205  14.556 -13.051  1.00  1.00           H
+ATOM   1515  HB3 TYR    99     -14.494  14.280 -11.345  1.00  1.00           H
+ATOM   1516  HD1 TYR    99     -13.026  17.453 -11.611  1.00  1.00           H
+ATOM   1517  HD2 TYR    99     -16.724  15.420 -12.311  1.00  1.00           H
+ATOM   1518  HE1 TYR    99     -14.275  19.663 -11.465  1.00  1.00           H
+ATOM   1519  HE2 TYR    99     -17.962  17.636 -12.163  1.00  1.00           H
+ATOM   1520  HH  TYR    99     -17.814  19.755 -11.790  1.00  1.00           H
+ATOM   1521  N   PRO   100     -11.040  13.561 -10.638  1.00  1.00           N
+ATOM   1522  CA  PRO   100     -10.402  12.284 -10.367  1.00  1.00           C
+ATOM   1523  C   PRO   100     -11.355  11.343  -9.625  1.00  1.00           C
+ATOM   1524  O   PRO   100     -11.237  11.163  -8.414  1.00  1.00           O
+ATOM   1528  HA  PRO   100     -10.173  11.821 -11.224  1.00  1.00           H
+ATOM   1525  CB  PRO   100      -9.159  12.626  -9.562  1.00  1.00           C
+ATOM   1526  CG  PRO   100      -9.389  14.027  -9.015  1.00  1.00           C
+ATOM   1527  CD  PRO   100     -10.566  14.631  -9.764  1.00  1.00           C
+ATOM   1529  HB2 PRO   100      -9.009  11.911  -8.754  1.00  1.00           H
+ATOM   1530  HB3 PRO   100      -8.267  12.593 -10.187  1.00  1.00           H
+ATOM   1531  HG2 PRO   100      -9.596  13.989  -7.945  1.00  1.00           H
+ATOM   1532  HG3 PRO   100      -8.499  14.639  -9.147  1.00  1.00           H
+ATOM   1533  HD2 PRO   100     -11.349  14.956  -9.077  1.00  1.00           H
+ATOM   1534  HD3 PRO   100     -10.263  15.507 -10.339  1.00  1.00           H
+ATOM   1535  N   ALA   101     -12.276  10.767 -10.384  1.00  1.00           N
+ATOM   1536  CA  ALA   101     -13.247   9.849  -9.814  1.00  1.00           C
+ATOM   1537  C   ALA   101     -12.539   8.901  -8.843  1.00  1.00           C
+ATOM   1538  O   ALA   101     -11.674   8.126  -9.248  1.00  1.00           O
+ATOM   1540  H   ALA   101     -12.365  10.919 -11.368  1.00  1.00           H
+ATOM   1541  HA  ALA   101     -13.978  10.439  -9.262  1.00  1.00           H
+ATOM   1539  CB  ALA   101     -13.965   9.101 -10.938  1.00  1.00           C
+ATOM   1542  HB1 ALA   101     -13.813   9.630 -11.882  1.00  1.00           H
+ATOM   1543  HB2 ALA   101     -13.562   8.092 -11.020  1.00  1.00           H
+ATOM   1544  HB3 ALA   101     -15.032   9.051 -10.719  1.00  1.00           H
+ATOM   1545  N   PRO   102     -12.942   8.999  -7.548  1.00  1.00           N
+ATOM   1546  CA  PRO   102     -12.356   8.160  -6.517  1.00  1.00           C
+ATOM   1547  C   PRO   102     -12.883   6.727  -6.611  1.00  1.00           C
+ATOM   1548  O   PRO   102     -13.446   6.334  -7.631  1.00  1.00           O
+ATOM   1552  HA  PRO   102     -11.366   8.095  -6.645  1.00  1.00           H
+ATOM   1549  CB  PRO   102     -12.713   8.839  -5.206  1.00  1.00           C
+ATOM   1550  CG  PRO   102     -13.872   9.771  -5.522  1.00  1.00           C
+ATOM   1551  CD  PRO   102     -13.962   9.906  -7.033  1.00  1.00           C
+ATOM   1553  HB2 PRO   102     -12.995   8.107  -4.451  1.00  1.00           H
+ATOM   1554  HB3 PRO   102     -11.864   9.395  -4.810  1.00  1.00           H
+ATOM   1555  HG2 PRO   102     -14.802   9.372  -5.118  1.00  1.00           H
+ATOM   1556  HG3 PRO   102     -13.715  10.746  -5.060  1.00  1.00           H
+ATOM   1557  HD2 PRO   102     -14.954   9.634  -7.396  1.00  1.00           H
+ATOM   1558  HD3 PRO   102     -13.778  10.932  -7.350  1.00  1.00           H
+ATOM   1559  N   LYS   103     -12.683   5.984  -5.532  1.00  1.00           N
+ATOM   1560  CA  LYS   103     -13.131   4.603  -5.480  1.00  1.00           C
+ATOM   1561  C   LYS   103     -14.375   4.508  -4.594  1.00  1.00           C
+ATOM   1562  O   LYS   103     -14.342   4.896  -3.426  1.00  1.00           O
+ATOM   1568  H   LYS   103     -12.225   6.311  -4.706  1.00  1.00           H
+ATOM   1569  HA  LYS   103     -13.407   4.310  -6.492  1.00  1.00           H
+ATOM   1563  CB  LYS   103     -11.991   3.686  -5.037  1.00  1.00           C
+ATOM   1564  CG  LYS   103     -11.122   4.364  -3.975  1.00  1.00           C
+ATOM   1565  CD  LYS   103     -10.434   3.327  -3.086  1.00  1.00           C
+ATOM   1566  CE  LYS   103     -10.257   1.999  -3.827  1.00  1.00           C
+ATOM   1567  NZ  LYS   103      -9.049   1.293  -3.346  1.00  1.00           N
+ATOM   1570  HB2 LYS   103     -12.399   2.756  -4.639  1.00  1.00           H
+ATOM   1571  HB3 LYS   103     -11.377   3.420  -5.898  1.00  1.00           H
+ATOM   1572  HG2 LYS   103     -10.372   4.989  -4.459  1.00  1.00           H
+ATOM   1573  HG3 LYS   103     -11.739   5.020  -3.361  1.00  1.00           H
+ATOM   1574  HD2 LYS   103      -9.460   3.702  -2.769  1.00  1.00           H
+ATOM   1575  HD3 LYS   103     -11.022   3.167  -2.182  1.00  1.00           H
+ATOM   1576  HE2 LYS   103     -11.136   1.373  -3.677  1.00  1.00           H
+ATOM   1577  HE3 LYS   103     -10.176   2.183  -4.899  1.00  1.00           H
+ATOM   1578  HZ1 LYS   103      -8.449   1.942  -2.877  1.00  1.00           H
+ATOM   1579  HZ2 LYS   103      -9.316   0.568  -2.712  1.00  1.00           H
+ATOM   1580  HZ3 LYS   103      -8.563   0.894  -4.124  1.00  1.00           H
+ATOM   1581  N   ARG   104     -15.445   3.992  -5.182  1.00  1.00           N
+ATOM   1582  CA  ARG   104     -16.697   3.843  -4.461  1.00  1.00           C
+ATOM   1583  C   ARG   104     -16.858   2.403  -3.970  1.00  1.00           C
+ATOM   1584  O   ARG   104     -17.380   1.552  -4.688  1.00  1.00           O
+ATOM   1592  H   ARG   104     -15.464   3.681  -6.132  1.00  1.00           H
+ATOM   1593  HA  ARG   104     -16.622   4.537  -3.624  1.00  1.00           H
+ATOM   1585  CB  ARG   104     -17.890   4.207  -5.347  1.00  1.00           C
+ATOM   1586  CG  ARG   104     -18.559   5.495  -4.862  1.00  1.00           C
+ATOM   1587  CD  ARG   104     -20.072   5.445  -5.085  1.00  1.00           C
+ATOM   1588  NE  ARG   104     -20.700   4.545  -4.092  1.00  1.00           N
+ATOM   1589  CZ  ARG   104     -20.766   4.804  -2.780  1.00  1.00           C
+ATOM   1590  NH1 ARG   104     -20.241   5.938  -2.293  1.00  1.00           N
+ATOM   1591  NH2 ARG   104     -21.355   3.931  -1.952  1.00  1.00           N
+ATOM   1594  HB2 ARG   104     -17.557   4.332  -6.378  1.00  1.00           H
+ATOM   1595  HB3 ARG   104     -18.614   3.394  -5.342  1.00  1.00           H
+ATOM   1596  HG2 ARG   104     -18.350   5.641  -3.803  1.00  1.00           H
+ATOM   1597  HG3 ARG   104     -18.138   6.350  -5.391  1.00  1.00           H
+ATOM   1598  HD2 ARG   104     -20.494   6.445  -5.000  1.00  1.00           H
+ATOM   1599  HD3 ARG   104     -20.287   5.092  -6.095  1.00  1.00           H
+ATOM   1600  HE  ARG   104     -21.101   3.690  -4.421  1.00  1.00           H
+ATOM   1601 HH11 ARG   104     -19.801   6.591  -2.911  1.00  1.00           H
+ATOM   1602 HH12 ARG   104     -20.290   6.132  -1.313  1.00  1.00           H
+ATOM   1603 HH21 ARG   104     -21.746   3.085  -2.315  1.00  1.00           H
+ATOM   1604 HH22 ARG   104     -21.404   4.125  -0.972  1.00  1.00           H
+ATOM   1605  N   GLY   105     -16.399   2.173  -2.748  1.00  1.00           N
+ATOM   1606  CA  GLY   105     -16.485   0.851  -2.152  1.00  1.00           C
+ATOM   1607  C   GLY   105     -17.876   0.603  -1.567  1.00  1.00           C
+ATOM   1608  O   GLY   105     -18.391   1.424  -0.810  1.00  1.00           O
+ATOM   1609  H   GLY   105     -15.975   2.871  -2.170  1.00  1.00           H
+ATOM   1610  HA2 GLY   105     -16.262   0.094  -2.904  1.00  1.00           H
+ATOM   1611  HA3 GLY   105     -15.734   0.753  -1.368  1.00  1.00           H
+ATOM   1612  N   ILE   106     -18.446  -0.534  -1.941  1.00  1.00           N
+ATOM   1613  CA  ILE   106     -19.768  -0.900  -1.462  1.00  1.00           C
+ATOM   1614  C   ILE   106     -19.639  -2.013  -0.420  1.00  1.00           C
+ATOM   1615  O   ILE   106     -20.084  -1.861   0.716  1.00  1.00           O
+ATOM   1620  H   ILE   106     -18.021  -1.197  -2.555  1.00  1.00           H
+ATOM   1621  HA  ILE   106     -20.196  -0.023  -0.978  1.00  1.00           H
+ATOM   1616  CB  ILE   106     -20.682  -1.260  -2.635  1.00  1.00           C
+ATOM   1617  CG1 ILE   106     -20.907  -0.051  -3.545  1.00  1.00           C
+ATOM   1618  CG2 ILE   106     -21.999  -1.859  -2.141  1.00  1.00           C
+ATOM   1619  CD1 ILE   106     -21.613  -0.461  -4.838  1.00  1.00           C
+ATOM   1622  HB  ILE   106     -20.185  -2.024  -3.233  1.00  1.00           H
+ATOM   1623 HG12 ILE   106     -21.504   0.696  -3.023  1.00  1.00           H
+ATOM   1624 HG13 ILE   106     -19.950   0.415  -3.781  1.00  1.00           H
+ATOM   1625 HG21 ILE   106     -22.021  -1.840  -1.051  1.00  1.00           H
+ATOM   1626 HG22 ILE   106     -22.833  -1.275  -2.531  1.00  1.00           H
+ATOM   1627 HG23 ILE   106     -22.084  -2.889  -2.488  1.00  1.00           H
+ATOM   1628 HD11 ILE   106     -22.563  -0.940  -4.598  1.00  1.00           H
+ATOM   1629 HD12 ILE   106     -21.797   0.423  -5.449  1.00  1.00           H
+ATOM   1630 HD13 ILE   106     -20.983  -1.161  -5.390  1.00  1.00           H
+ATOM   1631  N   HIS   107     -19.026  -3.109  -0.845  1.00  1.00           N
+ATOM   1632  CA  HIS   107     -18.832  -4.247   0.038  1.00  1.00           C
+ATOM   1633  C   HIS   107     -20.141  -4.564   0.762  1.00  1.00           C
+ATOM   1634  O   HIS   107     -20.130  -5.144   1.846  1.00  1.00           O
+ATOM   1641  H   HIS   107     -18.666  -3.226  -1.771  1.00  1.00           H
+ATOM   1642  HA  HIS   107     -18.564  -5.092  -0.597  1.00  1.00           H
+ATOM   1635  CB  HIS   107     -17.667  -3.998   0.997  1.00  1.00           C
+ATOM   1636  CG  HIS   107     -17.561  -2.571   1.477  1.00  1.00           C
+ATOM   1637  ND1 HIS   107     -16.679  -1.658   0.926  1.00  1.00           N
+ATOM   1638  CD2 HIS   107     -18.237  -1.908   2.460  1.00  1.00           C
+ATOM   1639  CE1 HIS   107     -16.824  -0.502   1.556  1.00  1.00           C
+ATOM   1640  NE2 HIS   107     -17.789  -0.659   2.508  1.00  1.00           N
+ATOM   1643  HB2 HIS   107     -17.775  -4.653   1.862  1.00  1.00           H
+ATOM   1644  HB3 HIS   107     -16.736  -4.274   0.503  1.00  1.00           H
+ATOM   1645  HD1 HIS   107     -16.040  -1.840   0.177  1.00  1.00           H
+ATOM   1646  HD2 HIS   107     -19.010  -2.333   3.099  1.00  1.00           H
+ATOM   1647  HE1 HIS   107     -16.270   0.415   1.351  1.00  1.00           H
+ATOM   1648  N   ARG   108     -21.238  -4.171   0.133  1.00  1.00           N
+ATOM   1649  CA  ARG   108     -22.553  -4.404   0.705  1.00  1.00           C
+ATOM   1650  C   ARG   108     -22.526  -4.164   2.216  1.00  1.00           C
+ATOM   1651  O   ARG   108     -22.692  -3.034   2.672  1.00  1.00           O
+ATOM   1659  H   ARG   108     -21.239  -3.699  -0.748  1.00  1.00           H
+ATOM   1660  HA  ARG   108     -23.207  -3.688   0.205  1.00  1.00           H
+ATOM   1652  CB  ARG   108     -23.026  -5.833   0.430  1.00  1.00           C
+ATOM   1653  CG  ARG   108     -23.876  -5.895  -0.840  1.00  1.00           C
+ATOM   1654  CD  ARG   108     -23.053  -5.509  -2.069  1.00  1.00           C
+ATOM   1655  NE  ARG   108     -23.759  -4.465  -2.845  1.00  1.00           N
+ATOM   1656  CZ  ARG   108     -23.986  -4.533  -4.165  1.00  1.00           C
+ATOM   1657  NH1 ARG   108     -23.564  -5.596  -4.863  1.00  1.00           N
+ATOM   1658  NH2 ARG   108     -24.637  -3.539  -4.784  1.00  1.00           N
+ATOM   1661  HB2 ARG   108     -22.164  -6.492   0.328  1.00  1.00           H
+ATOM   1662  HB3 ARG   108     -23.606  -6.198   1.279  1.00  1.00           H
+ATOM   1663  HG2 ARG   108     -24.275  -6.902  -0.966  1.00  1.00           H
+ATOM   1664  HG3 ARG   108     -24.730  -5.224  -0.743  1.00  1.00           H
+ATOM   1665  HD2 ARG   108     -22.073  -5.144  -1.762  1.00  1.00           H
+ATOM   1666  HD3 ARG   108     -22.885  -6.386  -2.695  1.00  1.00           H
+ATOM   1667  HE  ARG   108     -24.089  -3.658  -2.354  1.00  1.00           H
+ATOM   1668 HH11 ARG   108     -23.080  -6.337  -4.400  1.00  1.00           H
+ATOM   1669 HH12 ARG   108     -23.734  -5.647  -5.847  1.00  1.00           H
+ATOM   1670 HH21 ARG   108     -24.951  -2.746  -4.263  1.00  1.00           H
+ATOM   1671 HH22 ARG   108     -24.807  -3.590  -5.768  1.00  1.00           H
+ATOM   1672  N   ASP   109     -22.314  -5.247   2.951  1.00  1.00           N
+ATOM   1673  CA  ASP   109     -22.263  -5.168   4.401  1.00  1.00           C
+ATOM   1674  C   ASP   109     -23.391  -4.261   4.898  1.00  1.00           C
+ATOM   1675  O   ASP   109     -24.249  -3.911   4.059  1.00  1.00           O
+ATOM   1681  H   ASP   109     -22.181  -6.162   2.571  1.00  1.00           H
+ATOM   1682  HA  ASP   109     -22.371  -6.196   4.747  1.00  1.00           H
+ATOM   1676  CB  ASP   109     -20.935  -4.574   4.873  1.00  1.00           C
+ATOM   1677  CG  ASP   109     -20.329  -5.246   6.107  1.00  1.00           C
+ATOM   1678  OD1 ASP   109     -20.336  -6.535   6.085  1.00  1.00           O
+ATOM   1679  OD2 ASP   109     -19.873  -4.570   7.043  1.00  1.00           O
+ATOM   1683  HB2 ASP   109     -20.216  -4.634   4.055  1.00  1.00           H
+ATOM   1684  HB3 ASP   109     -21.085  -3.516   5.090  1.00  1.00           H
+ATOM   1680  OXT ASP   109     -23.431  -3.904   6.075  1.00  1.00           O
+TER
+END
diff --git a/Mobi/data/stdout3 b/Mobi/data/stdout3
new file mode 100644
index 0000000..ce56d67
--- /dev/null
+++ b/Mobi/data/stdout3
@@ -0,0 +1,1695 @@
+SEQRES   0   109   GLY SER GLY ASN SER LEU GLU LYS HIS SER TRP TYR HIS 
+SEQRES   1   109   GLY PRO VAL SER ARG ASN ALA ALA GLU TYR LEU LEU SER 
+SEQRES   2   109   SER GLY ILE ASN GLY SER PHE LEU VAL ARG GLU SER GLU 
+SEQRES   3   109   SER SER PRO GLY GLN ARG SER ILE SER LEU ARG TYR GLU 
+SEQRES   4   109   GLY ARG VAL TYR HIS TYR ARG ILE ASN THR ALA SER ASP 
+SEQRES   5   109   GLY LYS LEU TYR VAL SER SER GLU SER ARG PHE ASN THR 
+SEQRES   6   109   LEU ALA GLU LEU VAL HIS HIS HIS SER THR VAL ALA ASP 
+SEQRES   7   109   GLY LEU ILE THR THR LEU HIS TYR PRO ALA PRO LYS ARG 
+SEQRES   9   109   GLY ILE HIS ARG ASP 
+ATOM      1  N   GLY     1      -9.223   0.782   9.655  1.00  1.00           N
+ATOM      2  CA  GLY     1      -9.830   1.489   8.541  1.00  1.00           C
+ATOM      3  C   GLY     1      -9.954   0.580   7.315  1.00  1.00           C
+ATOM      4  O   GLY     1      -9.059   0.543   6.473  1.00  1.00           O
+ATOM      5  H1  GLY     1      -9.538  -0.182   9.656  1.00  1.00           H
+ATOM      6  H2  GLY     1      -8.214   0.808   9.563  1.00  1.00           H
+ATOM      7  H3  GLY     1      -9.494   1.226  10.526  1.00  1.00           H
+ATOM      8  HA2 GLY     1     -10.815   1.853   8.830  1.00  1.00           H
+ATOM      9  HA3 GLY     1      -9.228   2.363   8.290  1.00  1.00           H
+ATOM     10  N   SER     2     -11.070  -0.131   7.257  1.00  1.00           N
+ATOM     11  CA  SER     2     -11.323  -1.037   6.149  1.00  1.00           C
+ATOM     12  C   SER     2     -12.109  -0.317   5.052  1.00  1.00           C
+ATOM     13  O   SER     2     -13.085   0.376   5.337  1.00  1.00           O
+ATOM     16  H   SER     2     -11.793  -0.095   7.946  1.00  1.00           H
+ATOM     17  HA  SER     2     -10.337  -1.329   5.786  1.00  1.00           H
+ATOM     14  CB  SER     2     -12.082  -2.280   6.618  1.00  1.00           C
+ATOM     15  OG  SER     2     -13.199  -1.947   7.436  1.00  1.00           O
+ATOM     18  HB2 SER     2     -12.423  -2.844   5.751  1.00  1.00           H
+ATOM     19  HB3 SER     2     -11.405  -2.929   7.174  1.00  1.00           H
+ATOM     20  HG  SER     2     -13.927  -1.552   6.875  1.00  1.00           H
+ATOM     21  N   GLY     3     -11.654  -0.504   3.822  1.00  1.00           N
+ATOM     22  CA  GLY     3     -12.305   0.119   2.681  1.00  1.00           C
+ATOM     23  C   GLY     3     -11.365   0.168   1.476  1.00  1.00           C
+ATOM     24  O   GLY     3     -11.464  -0.659   0.571  1.00  1.00           O
+ATOM     25  H   GLY     3     -10.860  -1.070   3.600  1.00  1.00           H
+ATOM     26  HA2 GLY     3     -13.205  -0.439   2.422  1.00  1.00           H
+ATOM     27  HA3 GLY     3     -12.619   1.128   2.944  1.00  1.00           H
+ATOM     28  N   ASN     4     -10.472   1.148   1.501  1.00  1.00           N
+ATOM     29  CA  ASN     4      -9.515   1.316   0.422  1.00  1.00           C
+ATOM     30  C   ASN     4      -8.125   1.567   1.012  1.00  1.00           C
+ATOM     31  O   ASN     4      -8.000   1.923   2.183  1.00  1.00           O
+ATOM     36  H   ASN     4     -10.397   1.815   2.242  1.00  1.00           H
+ATOM     37  HA  ASN     4      -9.563   0.390  -0.152  1.00  1.00           H
+ATOM     32  CB  ASN     4      -9.879   2.516  -0.456  1.00  1.00           C
+ATOM     33  CG  ASN     4      -9.449   2.286  -1.904  1.00  1.00           C
+ATOM     34  OD1 ASN     4     -10.077   1.561  -2.659  1.00  1.00           O
+ATOM     35  ND2 ASN     4      -8.347   2.944  -2.253  1.00  1.00           N
+ATOM     38  HB2 ASN     4     -10.955   2.688  -0.414  1.00  1.00           H
+ATOM     39  HB3 ASN     4      -9.398   3.414  -0.067  1.00  1.00           H
+ATOM     40 HD21 ASN     4      -7.879   3.524  -1.586  1.00  1.00           H
+ATOM     41 HD22 ASN     4      -7.986   2.858  -3.182  1.00  1.00           H
+ATOM     42  N   SER     5      -7.118   1.372   0.174  1.00  1.00           N
+ATOM     43  CA  SER     5      -5.743   1.573   0.599  1.00  1.00           C
+ATOM     44  C   SER     5      -5.004   2.448  -0.416  1.00  1.00           C
+ATOM     45  O   SER     5      -5.477   2.640  -1.535  1.00  1.00           O
+ATOM     48  H   SER     5      -7.228   1.083  -0.775  1.00  1.00           H
+ATOM     49  HA  SER     5      -5.809   2.078   1.561  1.00  1.00           H
+ATOM     46  CB  SER     5      -5.019   0.236   0.773  1.00  1.00           C
+ATOM     47  OG  SER     5      -4.955  -0.500  -0.446  1.00  1.00           O
+ATOM     50  HB2 SER     5      -4.009   0.415   1.140  1.00  1.00           H
+ATOM     51  HB3 SER     5      -5.533  -0.358   1.528  1.00  1.00           H
+ATOM     52  HG  SER     5      -5.342  -1.412  -0.316  1.00  1.00           H
+ATOM     53  N   LEU     6      -3.857   2.954   0.010  1.00  1.00           N
+ATOM     54  CA  LEU     6      -3.049   3.804  -0.847  1.00  1.00           C
+ATOM     55  C   LEU     6      -3.955   4.804  -1.567  1.00  1.00           C
+ATOM     56  O   LEU     6      -3.758   5.088  -2.747  1.00  1.00           O
+ATOM     61  H   LEU     6      -3.480   2.793   0.922  1.00  1.00           H
+ATOM     62  HA  LEU     6      -2.363   4.358  -0.205  1.00  1.00           H
+ATOM     57  CB  LEU     6      -2.197   2.955  -1.793  1.00  1.00           C
+ATOM     58  CG  LEU     6      -2.945   2.277  -2.942  1.00  1.00           C
+ATOM     59  CD1 LEU     6      -2.170   2.408  -4.255  1.00  1.00           C
+ATOM     60  CD2 LEU     6      -3.258   0.817  -2.606  1.00  1.00           C
+ATOM     63  HB2 LEU     6      -1.417   3.589  -2.218  1.00  1.00           H
+ATOM     64  HB3 LEU     6      -1.696   2.185  -1.207  1.00  1.00           H
+ATOM     65  HG  LEU     6      -3.898   2.788  -3.078  1.00  1.00           H
+ATOM     66 HD11 LEU     6      -1.984   3.462  -4.462  1.00  1.00           H
+ATOM     67 HD12 LEU     6      -1.221   1.880  -4.170  1.00  1.00           H
+ATOM     68 HD13 LEU     6      -2.755   1.976  -5.067  1.00  1.00           H
+ATOM     69 HD21 LEU     6      -2.510   0.435  -1.914  1.00  1.00           H
+ATOM     70 HD22 LEU     6      -4.245   0.754  -2.146  1.00  1.00           H
+ATOM     71 HD23 LEU     6      -3.247   0.222  -3.520  1.00  1.00           H
+ATOM     72  N   GLU     7      -4.929   5.312  -0.825  1.00  1.00           N
+ATOM     73  CA  GLU     7      -5.866   6.275  -1.377  1.00  1.00           C
+ATOM     74  C   GLU     7      -5.205   7.650  -1.499  1.00  1.00           C
+ATOM     75  O   GLU     7      -5.558   8.578  -0.775  1.00  1.00           O
+ATOM     81  H   GLU     7      -5.081   5.075   0.135  1.00  1.00           H
+ATOM     82  HA  GLU     7      -6.119   5.897  -2.368  1.00  1.00           H
+ATOM     76  CB  GLU     7      -7.137   6.351  -0.529  1.00  1.00           C
+ATOM     77  CG  GLU     7      -8.373   6.007  -1.363  1.00  1.00           C
+ATOM     78  CD  GLU     7      -9.393   7.149  -1.327  1.00  1.00           C
+ATOM     79  OE1 GLU     7      -9.898   7.496  -0.250  1.00  1.00           O
+ATOM     80  OE2 GLU     7      -9.654   7.680  -2.473  1.00  1.00           O
+ATOM     83  HB2 GLU     7      -7.059   5.663   0.312  1.00  1.00           H
+ATOM     84  HB3 GLU     7      -7.241   7.353  -0.114  1.00  1.00           H
+ATOM     85  HG2 GLU     7      -8.079   5.811  -2.393  1.00  1.00           H
+ATOM     86  HG3 GLU     7      -8.831   5.094  -0.982  1.00  1.00           H
+ATOM     87  N   LYS     8      -4.258   7.735  -2.421  1.00  1.00           N
+ATOM     88  CA  LYS     8      -3.544   8.980  -2.648  1.00  1.00           C
+ATOM     89  C   LYS     8      -4.544  10.076  -3.020  1.00  1.00           C
+ATOM     90  O   LYS     8      -5.380  10.462  -2.205  1.00  1.00           O
+ATOM     96  H   LYS     8      -3.977   6.975  -3.007  1.00  1.00           H
+ATOM     97  HA  LYS     8      -3.062   9.257  -1.709  1.00  1.00           H
+ATOM     91  CB  LYS     8      -2.436   8.782  -3.685  1.00  1.00           C
+ATOM     92  CG  LYS     8      -1.359   9.860  -3.548  1.00  1.00           C
+ATOM     93  CD  LYS     8      -0.907  10.360  -4.921  1.00  1.00           C
+ATOM     94  CE  LYS     8       0.614  10.271  -5.064  1.00  1.00           C
+ATOM     95  NZ  LYS     8       1.026   8.877  -5.345  1.00  1.00           N
+ATOM     98  HB2 LYS     8      -1.987   7.797  -3.558  1.00  1.00           H
+ATOM     99  HB3 LYS     8      -2.861   8.813  -4.687  1.00  1.00           H
+ATOM    100  HG2 LYS     8      -1.746  10.695  -2.963  1.00  1.00           H
+ATOM    101  HG3 LYS     8      -0.503   9.460  -3.004  1.00  1.00           H
+ATOM    102  HD2 LYS     8      -1.385   9.770  -5.703  1.00  1.00           H
+ATOM    103  HD3 LYS     8      -1.229  11.392  -5.061  1.00  1.00           H
+ATOM    104  HE2 LYS     8       0.948  10.926  -5.869  1.00  1.00           H
+ATOM    105  HE3 LYS     8       1.093  10.621  -4.149  1.00  1.00           H
+ATOM    106  HZ1 LYS     8       0.392   8.239  -4.887  1.00  1.00           H
+ATOM    107  HZ2 LYS     8       1.020   8.671  -6.338  1.00  1.00           H
+ATOM    108  HZ3 LYS     8       1.964   8.728  -4.998  1.00  1.00           H
+ATOM    109  N   HIS     9      -4.427  10.547  -4.253  1.00  1.00           N
+ATOM    110  CA  HIS     9      -5.310  11.591  -4.743  1.00  1.00           C
+ATOM    111  C   HIS     9      -6.729  11.037  -4.885  1.00  1.00           C
+ATOM    112  O   HIS     9      -6.978   9.870  -4.584  1.00  1.00           O
+ATOM    119  H   HIS     9      -3.744  10.228  -4.910  1.00  1.00           H
+ATOM    120  HA  HIS     9      -5.311  12.380  -3.991  1.00  1.00           H
+ATOM    113  CB  HIS     9      -4.775  12.189  -6.045  1.00  1.00           C
+ATOM    114  CG  HIS     9      -3.579  13.091  -5.860  1.00  1.00           C
+ATOM    115  ND1 HIS     9      -2.762  13.033  -4.744  1.00  1.00           N
+ATOM    116  CD2 HIS     9      -3.068  14.071  -6.659  1.00  1.00           C
+ATOM    117  CE1 HIS     9      -1.808  13.943  -4.876  1.00  1.00           C
+ATOM    118  NE2 HIS     9      -1.999  14.585  -6.064  1.00  1.00           N
+ATOM    121  HB2 HIS     9      -4.505  11.378  -6.721  1.00  1.00           H
+ATOM    122  HB3 HIS     9      -5.572  12.754  -6.529  1.00  1.00           H
+ATOM    123  HD1 HIS     9      -2.873  12.411  -3.970  1.00  1.00           H
+ATOM    124  HD2 HIS     9      -3.471  14.380  -7.625  1.00  1.00           H
+ATOM    125  HE1 HIS     9      -1.010  14.143  -4.162  1.00  1.00           H
+ATOM    126  N   SER    10      -7.625  11.900  -5.343  1.00  1.00           N
+ATOM    127  CA  SER    10      -9.013  11.512  -5.530  1.00  1.00           C
+ATOM    128  C   SER    10      -9.161  10.698  -6.816  1.00  1.00           C
+ATOM    129  O   SER    10     -10.269  10.325  -7.194  1.00  1.00           O
+ATOM    132  H   SER    10      -7.415  12.848  -5.586  1.00  1.00           H
+ATOM    133  HA  SER    10      -9.261  10.901  -4.661  1.00  1.00           H
+ATOM    130  CB  SER    10      -9.927  12.738  -5.567  1.00  1.00           C
+ATOM    131  OG  SER    10      -9.302  13.850  -6.202  1.00  1.00           O
+ATOM    134  HB2 SER    10     -10.847  12.487  -6.096  1.00  1.00           H
+ATOM    135  HB3 SER    10     -10.209  13.012  -4.551  1.00  1.00           H
+ATOM    136  HG  SER    10      -8.672  13.530  -6.910  1.00  1.00           H
+ATOM    137  N   TRP    11      -8.027  10.448  -7.455  1.00  1.00           N
+ATOM    138  CA  TRP    11      -8.017   9.687  -8.692  1.00  1.00           C
+ATOM    139  C   TRP    11      -7.144   8.449  -8.478  1.00  1.00           C
+ATOM    140  O   TRP    11      -6.957   7.650  -9.394  1.00  1.00           O
+ATOM    151  H   TRP    11      -7.129  10.756  -7.141  1.00  1.00           H
+ATOM    152  HA  TRP    11      -9.042   9.387  -8.907  1.00  1.00           H
+ATOM    141  CB  TRP    11      -7.549  10.551  -9.864  1.00  1.00           C
+ATOM    142  CG  TRP    11      -6.345  11.440  -9.543  1.00  1.00           C
+ATOM    143  CD1 TRP    11      -6.302  12.776  -9.476  1.00  1.00           C
+ATOM    144  CD2 TRP    11      -5.005  10.994  -9.246  1.00  1.00           C
+ATOM    145  NE1 TRP    11      -5.035  13.225  -9.159  1.00  1.00           N
+ATOM    146  CE2 TRP    11      -4.222  12.107  -9.014  1.00  1.00           C
+ATOM    147  CE3 TRP    11      -4.472   9.695  -9.174  1.00  1.00           C
+ATOM    148  CZ2 TRP    11      -2.861  12.034  -8.695  1.00  1.00           C
+ATOM    149  CZ3 TRP    11      -3.111   9.639  -8.856  1.00  1.00           C
+ATOM    150  CH2 TRP    11      -2.308  10.749  -8.620  1.00  1.00           C
+ATOM    153  HB2 TRP    11      -7.296   9.902 -10.703  1.00  1.00           H
+ATOM    154  HB3 TRP    11      -8.377  11.183 -10.189  1.00  1.00           H
+ATOM    155  HD1 TRP    11      -7.156  13.428  -9.651  1.00  1.00           H
+ATOM    156  HE1 TRP    11      -4.729  14.264  -9.042  1.00  1.00           H
+ATOM    157  HE3 TRP    11      -5.070   8.801  -9.354  1.00  1.00           H
+ATOM    158  HZ2 TRP    11      -2.263  12.927  -8.517  1.00  1.00           H
+ATOM    159  HZ3 TRP    11      -2.646   8.655  -8.787  1.00  1.00           H
+ATOM    160  HH2 TRP    11      -1.253  10.620  -8.376  1.00  1.00           H
+ATOM    161  N   TYR    12      -6.631   8.328  -7.261  1.00  1.00           N
+ATOM    162  CA  TYR    12      -5.783   7.201  -6.915  1.00  1.00           C
+ATOM    163  C   TYR    12      -6.386   6.394  -5.764  1.00  1.00           C
+ATOM    164  O   TYR    12      -6.521   6.899  -4.650  1.00  1.00           O
+ATOM    173  H   TYR    12      -6.788   8.983  -6.522  1.00  1.00           H
+ATOM    174  HA  TYR    12      -5.699   6.560  -7.792  1.00  1.00           H
+ATOM    165  CB  TYR    12      -4.451   7.801  -6.460  1.00  1.00           C
+ATOM    166  CG  TYR    12      -3.264   6.843  -6.581  1.00  1.00           C
+ATOM    167  CD1 TYR    12      -3.450   5.486  -6.408  1.00  1.00           C
+ATOM    168  CD2 TYR    12      -2.006   7.335  -6.865  1.00  1.00           C
+ATOM    169  CE1 TYR    12      -2.332   4.586  -6.523  1.00  1.00           C
+ATOM    170  CE2 TYR    12      -0.888   6.435  -6.978  1.00  1.00           C
+ATOM    171  CZ  TYR    12      -1.106   5.105  -6.803  1.00  1.00           C
+ATOM    172  OH  TYR    12      -0.052   4.253  -6.910  1.00  1.00           O
+ATOM    175  HB2 TYR    12      -4.245   8.694  -7.049  1.00  1.00           H
+ATOM    176  HB3 TYR    12      -4.543   8.118  -5.422  1.00  1.00           H
+ATOM    177  HD1 TYR    12      -4.443   5.098  -6.185  1.00  1.00           H
+ATOM    178  HD2 TYR    12      -1.859   8.407  -7.001  1.00  1.00           H
+ATOM    179  HE1 TYR    12      -2.466   3.512  -6.388  1.00  1.00           H
+ATOM    180  HE2 TYR    12       0.111   6.811  -7.202  1.00  1.00           H
+ATOM    181  HH  TYR    12      -0.199   3.622  -7.673  1.00  1.00           H
+ATOM    182  N   HIS    13      -6.732   5.153  -6.071  1.00  1.00           N
+ATOM    183  CA  HIS    13      -7.318   4.271  -5.075  1.00  1.00           C
+ATOM    184  C   HIS    13      -6.467   3.005  -4.948  1.00  1.00           C
+ATOM    185  O   HIS    13      -5.932   2.717  -3.878  1.00  1.00           O
+ATOM    192  H   HIS    13      -6.619   4.749  -6.980  1.00  1.00           H
+ATOM    193  HA  HIS    13      -7.295   4.811  -4.128  1.00  1.00           H
+ATOM    186  CB  HIS    13      -8.780   3.972  -5.407  1.00  1.00           C
+ATOM    187  CG  HIS    13      -9.007   3.520  -6.830  1.00  1.00           C
+ATOM    188  ND1 HIS    13      -9.663   2.342  -7.148  1.00  1.00           N
+ATOM    189  CD2 HIS    13      -8.661   4.099  -8.016  1.00  1.00           C
+ATOM    190  CE1 HIS    13      -9.702   2.228  -8.467  1.00  1.00           C
+ATOM    191  NE2 HIS    13      -9.080   3.316  -9.003  1.00  1.00           N
+ATOM    194  HB2 HIS    13      -9.146   3.201  -4.729  1.00  1.00           H
+ATOM    195  HB3 HIS    13      -9.374   4.866  -5.223  1.00  1.00           H
+ATOM    196  HD1 HIS    13     -10.042   1.690  -6.492  1.00  1.00           H
+ATOM    197  HD2 HIS    13      -8.129   5.043  -8.131  1.00  1.00           H
+ATOM    198  HE1 HIS    13     -10.153   1.407  -9.026  1.00  1.00           H
+ATOM    199  N   GLY    14      -6.370   2.282  -6.054  1.00  1.00           N
+ATOM    200  CA  GLY    14      -5.595   1.054  -6.079  1.00  1.00           C
+ATOM    201  C   GLY    14      -5.351   0.590  -7.517  1.00  1.00           C
+ATOM    202  O   GLY    14      -6.092   0.958  -8.427  1.00  1.00           O
+ATOM    203  H   GLY    14      -6.809   2.524  -6.921  1.00  1.00           H
+ATOM    204  HA2 GLY    14      -4.640   1.212  -5.578  1.00  1.00           H
+ATOM    205  HA3 GLY    14      -6.121   0.276  -5.527  1.00  1.00           H
+ATOM    206  N   PRO    15      -4.281  -0.233  -7.682  1.00  1.00           N
+ATOM    207  CA  PRO    15      -3.928  -0.751  -8.992  1.00  1.00           C
+ATOM    208  C   PRO    15      -4.891  -1.862  -9.420  1.00  1.00           C
+ATOM    209  O   PRO    15      -5.060  -2.848  -8.706  1.00  1.00           O
+ATOM    213  HA  PRO    15      -4.015  -0.033  -9.684  1.00  1.00           H
+ATOM    210  CB  PRO    15      -2.493  -1.230  -8.854  1.00  1.00           C
+ATOM    211  CG  PRO    15      -2.248  -1.390  -7.362  1.00  1.00           C
+ATOM    212  CD  PRO    15      -3.379  -0.689  -6.627  1.00  1.00           C
+ATOM    214  HB2 PRO    15      -2.343  -2.174  -9.377  1.00  1.00           H
+ATOM    215  HB3 PRO    15      -1.797  -0.512  -9.288  1.00  1.00           H
+ATOM    216  HG2 PRO    15      -2.214  -2.446  -7.092  1.00  1.00           H
+ATOM    217  HG3 PRO    15      -1.286  -0.959  -7.084  1.00  1.00           H
+ATOM    218  HD2 PRO    15      -3.886  -1.367  -5.940  1.00  1.00           H
+ATOM    219  HD3 PRO    15      -3.007   0.147  -6.033  1.00  1.00           H
+ATOM    220  N   VAL    16      -5.495  -1.661 -10.582  1.00  1.00           N
+ATOM    221  CA  VAL    16      -6.436  -2.633 -11.112  1.00  1.00           C
+ATOM    222  C   VAL    16      -6.411  -2.580 -12.641  1.00  1.00           C
+ATOM    223  O   VAL    16      -5.860  -1.646 -13.222  1.00  1.00           O
+ATOM    227  H   VAL    16      -5.352  -0.855 -11.155  1.00  1.00           H
+ATOM    228  HA  VAL    16      -6.105  -3.622 -10.789  1.00  1.00           H
+ATOM    224  CB  VAL    16      -7.829  -2.387 -10.528  1.00  1.00           C
+ATOM    225  CG1 VAL    16      -8.813  -3.465 -10.985  1.00  1.00           C
+ATOM    226  CG2 VAL    16      -7.776  -2.304  -9.001  1.00  1.00           C
+ATOM    229  HB  VAL    16      -8.183  -1.427 -10.903  1.00  1.00           H
+ATOM    230 HG11 VAL    16      -8.408  -4.450 -10.752  1.00  1.00           H
+ATOM    231 HG12 VAL    16      -9.763  -3.332 -10.467  1.00  1.00           H
+ATOM    232 HG13 VAL    16      -8.970  -3.381 -12.059  1.00  1.00           H
+ATOM    233 HG21 VAL    16      -7.249  -3.174  -8.607  1.00  1.00           H
+ATOM    234 HG22 VAL    16      -7.251  -1.396  -8.703  1.00  1.00           H
+ATOM    235 HG23 VAL    16      -8.790  -2.285  -8.603  1.00  1.00           H
+ATOM    236  N   SER    17      -7.013  -3.592 -13.246  1.00  1.00           N
+ATOM    237  CA  SER    17      -7.066  -3.672 -14.696  1.00  1.00           C
+ATOM    238  C   SER    17      -8.082  -2.664 -15.238  1.00  1.00           C
+ATOM    239  O   SER    17      -9.062  -2.344 -14.569  1.00  1.00           O
+ATOM    242  H   SER    17      -7.458  -4.347 -12.765  1.00  1.00           H
+ATOM    243  HA  SER    17      -6.062  -3.424 -15.036  1.00  1.00           H
+ATOM    240  CB  SER    17      -7.425  -5.085 -15.158  1.00  1.00           C
+ATOM    241  OG  SER    17      -7.163  -5.278 -16.544  1.00  1.00           O
+ATOM    244  HB2 SER    17      -6.855  -5.812 -14.577  1.00  1.00           H
+ATOM    245  HB3 SER    17      -8.479  -5.277 -14.957  1.00  1.00           H
+ATOM    246  HG  SER    17      -7.141  -4.395 -17.014  1.00  1.00           H
+ATOM    247  N   ARG    18      -7.809  -2.190 -16.445  1.00  1.00           N
+ATOM    248  CA  ARG    18      -8.687  -1.224 -17.085  1.00  1.00           C
+ATOM    249  C   ARG    18     -10.148  -1.645 -16.924  1.00  1.00           C
+ATOM    250  O   ARG    18     -11.038  -0.800 -16.854  1.00  1.00           O
+ATOM    258  H   ARG    18      -7.009  -2.455 -16.984  1.00  1.00           H
+ATOM    259  HA  ARG    18      -8.489  -0.285 -16.569  1.00  1.00           H
+ATOM    251  CB  ARG    18      -8.363  -1.089 -18.574  1.00  1.00           C
+ATOM    252  CG  ARG    18      -9.286  -1.970 -19.419  1.00  1.00           C
+ATOM    253  CD  ARG    18      -8.750  -2.120 -20.843  1.00  1.00           C
+ATOM    254  NE  ARG    18      -7.491  -2.901 -20.830  1.00  1.00           N
+ATOM    255  CZ  ARG    18      -6.573  -2.862 -21.804  1.00  1.00           C
+ATOM    256  NH1 ARG    18      -6.766  -2.082 -22.876  1.00  1.00           N
+ATOM    257  NH2 ARG    18      -5.461  -3.605 -21.708  1.00  1.00           N
+ATOM    260  HB2 ARG    18      -8.469  -0.048 -18.880  1.00  1.00           H
+ATOM    261  HB3 ARG    18      -7.325  -1.369 -18.753  1.00  1.00           H
+ATOM    262  HG2 ARG    18      -9.381  -2.953 -18.954  1.00  1.00           H
+ATOM    263  HG3 ARG    18     -10.285  -1.534 -19.446  1.00  1.00           H
+ATOM    264  HD2 ARG    18      -9.490  -2.620 -21.469  1.00  1.00           H
+ATOM    265  HD3 ARG    18      -8.573  -1.138 -21.280  1.00  1.00           H
+ATOM    266  HE  ARG    18      -7.317  -3.495 -20.043  1.00  1.00           H
+ATOM    267 HH11 ARG    18      -7.596  -1.528 -22.949  1.00  1.00           H
+ATOM    268 HH12 ARG    18      -6.080  -2.053 -23.603  1.00  1.00           H
+ATOM    269 HH21 ARG    18      -5.318  -4.187 -20.907  1.00  1.00           H
+ATOM    270 HH22 ARG    18      -4.776  -3.575 -22.435  1.00  1.00           H
+ATOM    271  N   ASN    19     -10.351  -2.955 -16.870  1.00  1.00           N
+ATOM    272  CA  ASN    19     -11.690  -3.498 -16.718  1.00  1.00           C
+ATOM    273  C   ASN    19     -12.440  -2.705 -15.647  1.00  1.00           C
+ATOM    274  O   ASN    19     -13.493  -2.129 -15.920  1.00  1.00           O
+ATOM    279  H   ASN    19      -9.621  -3.636 -16.929  1.00  1.00           H
+ATOM    280  HA  ASN    19     -12.148  -3.409 -17.703  1.00  1.00           H
+ATOM    275  CB  ASN    19     -11.642  -4.962 -16.276  1.00  1.00           C
+ATOM    276  CG  ASN    19     -12.113  -5.890 -17.398  1.00  1.00           C
+ATOM    277  OD1 ASN    19     -13.147  -6.533 -17.313  1.00  1.00           O
+ATOM    278  ND2 ASN    19     -11.300  -5.924 -18.449  1.00  1.00           N
+ATOM    281  HB2 ASN    19     -10.624  -5.226 -15.985  1.00  1.00           H
+ATOM    282  HB3 ASN    19     -12.271  -5.101 -15.396  1.00  1.00           H
+ATOM    283 HD21 ASN    19     -10.468  -5.372 -18.454  1.00  1.00           H
+ATOM    284 HD22 ASN    19     -11.523  -6.503 -19.235  1.00  1.00           H
+ATOM    285  N   ALA    20     -11.868  -2.699 -14.452  1.00  1.00           N
+ATOM    286  CA  ALA    20     -12.470  -1.985 -13.339  1.00  1.00           C
+ATOM    287  C   ALA    20     -12.446  -0.482 -13.629  1.00  1.00           C
+ATOM    288  O   ALA    20     -13.396   0.230 -13.312  1.00  1.00           O
+ATOM    290  H   ALA    20     -11.011  -3.169 -14.240  1.00  1.00           H
+ATOM    291  HA  ALA    20     -13.506  -2.313 -13.255  1.00  1.00           H
+ATOM    289  CB  ALA    20     -11.734  -2.341 -12.046  1.00  1.00           C
+ATOM    292  HB1 ALA    20     -11.523  -3.411 -12.031  1.00  1.00           H
+ATOM    293  HB2 ALA    20     -10.798  -1.786 -11.996  1.00  1.00           H
+ATOM    294  HB3 ALA    20     -12.356  -2.081 -11.190  1.00  1.00           H
+ATOM    295  N   ALA    21     -11.348  -0.046 -14.227  1.00  1.00           N
+ATOM    296  CA  ALA    21     -11.186   1.358 -14.564  1.00  1.00           C
+ATOM    297  C   ALA    21     -12.476   1.877 -15.201  1.00  1.00           C
+ATOM    298  O   ALA    21     -12.989   2.926 -14.808  1.00  1.00           O
+ATOM    300  H   ALA    21     -10.578  -0.632 -14.482  1.00  1.00           H
+ATOM    301  HA  ALA    21     -11.004   1.903 -13.638  1.00  1.00           H
+ATOM    299  CB  ALA    21      -9.975   1.528 -15.482  1.00  1.00           C
+ATOM    302  HB1 ALA    21      -9.155   0.908 -15.120  1.00  1.00           H
+ATOM    303  HB2 ALA    21     -10.241   1.224 -16.495  1.00  1.00           H
+ATOM    304  HB3 ALA    21      -9.665   2.574 -15.486  1.00  1.00           H
+ATOM    305  N   GLU    22     -12.968   1.120 -16.171  1.00  1.00           N
+ATOM    306  CA  GLU    22     -14.188   1.491 -16.864  1.00  1.00           C
+ATOM    307  C   GLU    22     -15.397   1.313 -15.944  1.00  1.00           C
+ATOM    308  O   GLU    22     -16.385   2.036 -16.064  1.00  1.00           O
+ATOM    314  H   GLU    22     -12.544   0.270 -16.484  1.00  1.00           H
+ATOM    315  HA  GLU    22     -14.068   2.544 -17.121  1.00  1.00           H
+ATOM    309  CB  GLU    22     -14.356   0.680 -18.152  1.00  1.00           C
+ATOM    310  CG  GLU    22     -13.054  -0.036 -18.521  1.00  1.00           C
+ATOM    311  CD  GLU    22     -13.044  -0.426 -20.000  1.00  1.00           C
+ATOM    312  OE1 GLU    22     -13.940  -1.206 -20.389  1.00  1.00           O
+ATOM    313  OE2 GLU    22     -12.140   0.067 -20.709  1.00  1.00           O
+ATOM    316  HB2 GLU    22     -15.154  -0.051 -18.023  1.00  1.00           H
+ATOM    317  HB3 GLU    22     -14.655   1.340 -18.966  1.00  1.00           H
+ATOM    318  HG2 GLU    22     -12.205   0.610 -18.305  1.00  1.00           H
+ATOM    319  HG3 GLU    22     -12.941  -0.929 -17.906  1.00  1.00           H
+ATOM    320  N   TYR    23     -15.279   0.347 -15.044  1.00  1.00           N
+ATOM    321  CA  TYR    23     -16.350   0.066 -14.104  1.00  1.00           C
+ATOM    322  C   TYR    23     -16.440   1.156 -13.034  1.00  1.00           C
+ATOM    323  O   TYR    23     -17.437   1.874 -12.959  1.00  1.00           O
+ATOM    332  H   TYR    23     -14.473  -0.236 -14.954  1.00  1.00           H
+ATOM    333  HA  TYR    23     -17.286   0.033 -14.660  1.00  1.00           H
+ATOM    324  CB  TYR    23     -15.983  -1.260 -13.433  1.00  1.00           C
+ATOM    325  CG  TYR    23     -17.060  -1.796 -12.488  1.00  1.00           C
+ATOM    326  CD1 TYR    23     -18.063  -2.610 -12.974  1.00  1.00           C
+ATOM    327  CD2 TYR    23     -17.028  -1.468 -11.148  1.00  1.00           C
+ATOM    328  CE1 TYR    23     -19.076  -3.116 -12.085  1.00  1.00           C
+ATOM    329  CE2 TYR    23     -18.042  -1.974 -10.258  1.00  1.00           C
+ATOM    330  CZ  TYR    23     -19.016  -2.773 -10.771  1.00  1.00           C
+ATOM    331  OH  TYR    23     -19.972  -3.251  -9.931  1.00  1.00           O
+ATOM    334  HB2 TYR    23     -15.788  -2.005 -14.205  1.00  1.00           H
+ATOM    335  HB3 TYR    23     -15.056  -1.129 -12.874  1.00  1.00           H
+ATOM    336  HD1 TYR    23     -18.088  -2.870 -14.033  1.00  1.00           H
+ATOM    337  HD2 TYR    23     -16.236  -0.827 -10.763  1.00  1.00           H
+ATOM    338  HE1 TYR    23     -19.873  -3.758 -12.457  1.00  1.00           H
+ATOM    339  HE2 TYR    23     -18.028  -1.722  -9.198  1.00  1.00           H
+ATOM    340  HH  TYR    23     -19.606  -4.010  -9.392  1.00  1.00           H
+ATOM    341  N   LEU    24     -15.388   1.246 -12.235  1.00  1.00           N
+ATOM    342  CA  LEU    24     -15.337   2.237 -11.173  1.00  1.00           C
+ATOM    343  C   LEU    24     -15.729   3.603 -11.738  1.00  1.00           C
+ATOM    344  O   LEU    24     -16.203   4.471 -11.005  1.00  1.00           O
+ATOM    349  H   LEU    24     -14.582   0.658 -12.304  1.00  1.00           H
+ATOM    350  HA  LEU    24     -16.073   1.950 -10.423  1.00  1.00           H
+ATOM    345  CB  LEU    24     -13.967   2.221 -10.492  1.00  1.00           C
+ATOM    346  CG  LEU    24     -12.776   2.612 -11.372  1.00  1.00           C
+ATOM    347  CD1 LEU    24     -12.455   4.100 -11.233  1.00  1.00           C
+ATOM    348  CD2 LEU    24     -11.562   1.732 -11.070  1.00  1.00           C
+ATOM    351  HB2 LEU    24     -14.001   2.900  -9.640  1.00  1.00           H
+ATOM    352  HB3 LEU    24     -13.790   1.222 -10.097  1.00  1.00           H
+ATOM    353  HG  LEU    24     -13.049   2.436 -12.414  1.00  1.00           H
+ATOM    354 HD11 LEU    24     -12.548   4.397 -10.188  1.00  1.00           H
+ATOM    355 HD12 LEU    24     -11.438   4.286 -11.574  1.00  1.00           H
+ATOM    356 HD13 LEU    24     -13.152   4.679 -11.838  1.00  1.00           H
+ATOM    357 HD21 LEU    24     -11.755   1.139 -10.176  1.00  1.00           H
+ATOM    358 HD22 LEU    24     -11.375   1.067 -11.914  1.00  1.00           H
+ATOM    359 HD23 LEU    24     -10.688   2.363 -10.905  1.00  1.00           H
+ATOM    360  N   LEU    25     -15.515   3.755 -13.038  1.00  1.00           N
+ATOM    361  CA  LEU    25     -15.840   5.002 -13.710  1.00  1.00           C
+ATOM    362  C   LEU    25     -17.265   5.419 -13.340  1.00  1.00           C
+ATOM    363  O   LEU    25     -18.208   4.652 -13.524  1.00  1.00           O
+ATOM    368  H   LEU    25     -15.130   3.045 -13.628  1.00  1.00           H
+ATOM    369  HA  LEU    25     -15.151   5.761 -13.340  1.00  1.00           H
+ATOM    364  CB  LEU    25     -15.608   4.875 -15.216  1.00  1.00           C
+ATOM    365  CG  LEU    25     -15.666   6.178 -16.016  1.00  1.00           C
+ATOM    366  CD1 LEU    25     -14.949   7.307 -15.276  1.00  1.00           C
+ATOM    367  CD2 LEU    25     -15.116   5.978 -17.430  1.00  1.00           C
+ATOM    370  HB2 LEU    25     -14.632   4.416 -15.377  1.00  1.00           H
+ATOM    371  HB3 LEU    25     -16.352   4.189 -15.623  1.00  1.00           H
+ATOM    372  HG  LEU    25     -16.711   6.471 -16.117  1.00  1.00           H
+ATOM    373 HD11 LEU    25     -13.919   7.013 -15.071  1.00  1.00           H
+ATOM    374 HD12 LEU    25     -14.955   8.207 -15.891  1.00  1.00           H
+ATOM    375 HD13 LEU    25     -15.463   7.509 -14.336  1.00  1.00           H
+ATOM    376 HD21 LEU    25     -15.108   4.916 -17.671  1.00  1.00           H
+ATOM    377 HD22 LEU    25     -15.747   6.508 -18.143  1.00  1.00           H
+ATOM    378 HD23 LEU    25     -14.100   6.370 -17.482  1.00  1.00           H
+ATOM    379  N   SER    26     -17.376   6.634 -12.824  1.00  1.00           N
+ATOM    380  CA  SER    26     -18.671   7.162 -12.428  1.00  1.00           C
+ATOM    381  C   SER    26     -19.771   6.572 -13.312  1.00  1.00           C
+ATOM    382  O   SER    26     -20.327   5.521 -12.999  1.00  1.00           O
+ATOM    385  H   SER    26     -16.606   7.252 -12.677  1.00  1.00           H
+ATOM    386  HA  SER    26     -18.805   6.852 -11.391  1.00  1.00           H
+ATOM    383  CB  SER    26     -18.689   8.691 -12.506  1.00  1.00           C
+ATOM    384  OG  SER    26     -18.083   9.290 -11.365  1.00  1.00           O
+ATOM    387  HB2 SER    26     -18.167   9.014 -13.406  1.00  1.00           H
+ATOM    388  HB3 SER    26     -19.719   9.037 -12.593  1.00  1.00           H
+ATOM    389  HG  SER    26     -17.341   9.898 -11.651  1.00  1.00           H
+ATOM    390  N   SER    27     -20.053   7.276 -14.398  1.00  1.00           N
+ATOM    391  CA  SER    27     -21.077   6.834 -15.331  1.00  1.00           C
+ATOM    392  C   SER    27     -21.084   7.737 -16.566  1.00  1.00           C
+ATOM    393  O   SER    27     -20.895   7.265 -17.686  1.00  1.00           O
+ATOM    396  H   SER    27     -19.597   8.131 -14.646  1.00  1.00           H
+ATOM    397  HA  SER    27     -20.800   5.816 -15.603  1.00  1.00           H
+ATOM    394  CB  SER    27     -22.456   6.828 -14.671  1.00  1.00           C
+ATOM    395  OG  SER    27     -22.713   8.034 -13.957  1.00  1.00           O
+ATOM    398  HB2 SER    27     -23.223   6.688 -15.434  1.00  1.00           H
+ATOM    399  HB3 SER    27     -22.528   5.980 -13.989  1.00  1.00           H
+ATOM    400  HG  SER    27     -23.640   8.020 -13.583  1.00  1.00           H
+ATOM    401  N   GLY    28     -21.304   9.021 -16.320  1.00  1.00           N
+ATOM    402  CA  GLY    28     -21.338   9.995 -17.399  1.00  1.00           C
+ATOM    403  C   GLY    28     -21.181  11.416 -16.859  1.00  1.00           C
+ATOM    404  O   GLY    28     -22.164  12.057 -16.491  1.00  1.00           O
+ATOM    405  H   GLY    28     -21.458   9.397 -15.407  1.00  1.00           H
+ATOM    406  HA2 GLY    28     -20.540   9.781 -18.112  1.00  1.00           H
+ATOM    407  HA3 GLY    28     -22.281   9.909 -17.941  1.00  1.00           H
+ATOM    408  N   ILE    29     -19.935  11.870 -16.829  1.00  1.00           N
+ATOM    409  CA  ILE    29     -19.636  13.205 -16.341  1.00  1.00           C
+ATOM    410  C   ILE    29     -19.178  14.080 -17.509  1.00  1.00           C
+ATOM    411  O   ILE    29     -19.014  13.594 -18.627  1.00  1.00           O
+ATOM    416  H   ILE    29     -19.141  11.342 -17.131  1.00  1.00           H
+ATOM    417  HA  ILE    29     -20.560  13.620 -15.938  1.00  1.00           H
+ATOM    412  CB  ILE    29     -18.630  13.141 -15.189  1.00  1.00           C
+ATOM    413  CG1 ILE    29     -18.307  11.690 -14.823  1.00  1.00           C
+ATOM    414  CG2 ILE    29     -19.128  13.938 -13.981  1.00  1.00           C
+ATOM    415  CD1 ILE    29     -17.604  11.611 -13.467  1.00  1.00           C
+ATOM    418  HB  ILE    29     -17.702  13.603 -15.520  1.00  1.00           H
+ATOM    419 HG12 ILE    29     -19.226  11.105 -14.796  1.00  1.00           H
+ATOM    420 HG13 ILE    29     -17.672  11.251 -15.593  1.00  1.00           H
+ATOM    421 HG21 ILE    29     -19.884  14.653 -14.305  1.00  1.00           H
+ATOM    422 HG22 ILE    29     -19.563  13.257 -13.250  1.00  1.00           H
+ATOM    423 HG23 ILE    29     -18.292  14.472 -13.529  1.00  1.00           H
+ATOM    424 HD11 ILE    29     -16.916  12.449 -13.364  1.00  1.00           H
+ATOM    425 HD12 ILE    29     -18.347  11.650 -12.670  1.00  1.00           H
+ATOM    426 HD13 ILE    29     -17.049  10.675 -13.400  1.00  1.00           H
+ATOM    427  N   ASN    30     -18.985  15.357 -17.210  1.00  1.00           N
+ATOM    428  CA  ASN    30     -18.549  16.304 -18.221  1.00  1.00           C
+ATOM    429  C   ASN    30     -17.063  16.082 -18.514  1.00  1.00           C
+ATOM    430  O   ASN    30     -16.474  16.797 -19.325  1.00  1.00           O
+ATOM    435  H   ASN    30     -19.121  15.744 -16.298  1.00  1.00           H
+ATOM    436  HA  ASN    30     -19.179  16.107 -19.088  1.00  1.00           H
+ATOM    431  CB  ASN    30     -18.725  17.745 -17.738  1.00  1.00           C
+ATOM    432  CG  ASN    30     -19.382  18.609 -18.817  1.00  1.00           C
+ATOM    433  OD1 ASN    30     -19.396  18.275 -19.991  1.00  1.00           O
+ATOM    434  ND2 ASN    30     -19.921  19.733 -18.356  1.00  1.00           N
+ATOM    437  HB2 ASN    30     -19.337  17.757 -16.836  1.00  1.00           H
+ATOM    438  HB3 ASN    30     -17.756  18.165 -17.472  1.00  1.00           H
+ATOM    439 HD21 ASN    30     -19.875  19.947 -17.380  1.00  1.00           H
+ATOM    440 HD22 ASN    30     -20.374  20.365 -18.986  1.00  1.00           H
+ATOM    441  N   GLY    31     -16.501  15.090 -17.841  1.00  1.00           N
+ATOM    442  CA  GLY    31     -15.096  14.765 -18.020  1.00  1.00           C
+ATOM    443  C   GLY    31     -14.439  14.421 -16.682  1.00  1.00           C
+ATOM    444  O   GLY    31     -14.360  15.264 -15.789  1.00  1.00           O
+ATOM    445  H   GLY    31     -16.988  14.515 -17.184  1.00  1.00           H
+ATOM    446  HA2 GLY    31     -14.998  13.925 -18.705  1.00  1.00           H
+ATOM    447  HA3 GLY    31     -14.579  15.610 -18.476  1.00  1.00           H
+ATOM    448  N   SER    32     -13.984  13.181 -16.584  1.00  1.00           N
+ATOM    449  CA  SER    32     -13.334  12.715 -15.371  1.00  1.00           C
+ATOM    450  C   SER    32     -12.212  11.735 -15.721  1.00  1.00           C
+ATOM    451  O   SER    32     -12.352  10.926 -16.637  1.00  1.00           O
+ATOM    454  H   SER    32     -14.052  12.501 -17.315  1.00  1.00           H
+ATOM    455  HA  SER    32     -12.929  13.609 -14.899  1.00  1.00           H
+ATOM    452  CB  SER    32     -14.342  12.053 -14.428  1.00  1.00           C
+ATOM    453  OG  SER    32     -14.840  10.826 -14.954  1.00  1.00           O
+ATOM    456  HB2 SER    32     -13.867  11.867 -13.463  1.00  1.00           H
+ATOM    457  HB3 SER    32     -15.173  12.735 -14.249  1.00  1.00           H
+ATOM    458  HG  SER    32     -14.318  10.058 -14.585  1.00  1.00           H
+ATOM    459  N   PHE    33     -11.124  11.840 -14.971  1.00  1.00           N
+ATOM    460  CA  PHE    33      -9.979  10.974 -15.190  1.00  1.00           C
+ATOM    461  C   PHE    33      -9.676  10.138 -13.944  1.00  1.00           C
+ATOM    462  O   PHE    33     -10.262  10.362 -12.886  1.00  1.00           O
+ATOM    470  H   PHE    33     -11.019  12.500 -14.228  1.00  1.00           H
+ATOM    471  HA  PHE    33     -10.229  10.310 -16.017  1.00  1.00           H
+ATOM    463  CB  PHE    33      -8.782  11.880 -15.485  1.00  1.00           C
+ATOM    464  CG  PHE    33      -9.040  12.914 -16.584  1.00  1.00           C
+ATOM    465  CD1 PHE    33     -10.216  13.595 -16.612  1.00  1.00           C
+ATOM    466  CD2 PHE    33      -8.093  13.150 -17.530  1.00  1.00           C
+ATOM    467  CE1 PHE    33     -10.455  14.555 -17.631  1.00  1.00           C
+ATOM    468  CE2 PHE    33      -8.333  14.109 -18.549  1.00  1.00           C
+ATOM    469  CZ  PHE    33      -9.508  14.792 -18.578  1.00  1.00           C
+ATOM    472  HB2 PHE    33      -8.500  12.401 -14.570  1.00  1.00           H
+ATOM    473  HB3 PHE    33      -7.934  11.261 -15.775  1.00  1.00           H
+ATOM    474  HD1 PHE    33     -10.975  13.407 -15.852  1.00  1.00           H
+ATOM    475  HD2 PHE    33      -7.150  12.603 -17.507  1.00  1.00           H
+ATOM    476  HE1 PHE    33     -11.399  15.102 -17.655  1.00  1.00           H
+ATOM    477  HE2 PHE    33      -7.573  14.299 -19.308  1.00  1.00           H
+ATOM    478  HZ  PHE    33      -9.692  15.528 -19.361  1.00  1.00           H
+ATOM    479  N   LEU    34      -8.762   9.194 -14.111  1.00  1.00           N
+ATOM    480  CA  LEU    34      -8.376   8.324 -13.014  1.00  1.00           C
+ATOM    481  C   LEU    34      -6.942   7.838 -13.235  1.00  1.00           C
+ATOM    482  O   LEU    34      -6.243   8.336 -14.115  1.00  1.00           O
+ATOM    487  H   LEU    34      -8.291   9.018 -14.975  1.00  1.00           H
+ATOM    488  HA  LEU    34      -8.401   8.920 -12.101  1.00  1.00           H
+ATOM    483  CB  LEU    34      -9.391   7.193 -12.842  1.00  1.00           C
+ATOM    484  CG  LEU    34      -9.779   6.443 -14.118  1.00  1.00           C
+ATOM    485  CD1 LEU    34      -9.663   4.930 -13.921  1.00  1.00           C
+ATOM    486  CD2 LEU    34     -11.175   6.853 -14.593  1.00  1.00           C
+ATOM    489  HB2 LEU    34      -8.987   6.473 -12.130  1.00  1.00           H
+ATOM    490  HB3 LEU    34     -10.296   7.607 -12.398  1.00  1.00           H
+ATOM    491  HG  LEU    34      -9.076   6.718 -14.904  1.00  1.00           H
+ATOM    492 HD11 LEU    34     -10.078   4.657 -12.951  1.00  1.00           H
+ATOM    493 HD12 LEU    34     -10.217   4.417 -14.707  1.00  1.00           H
+ATOM    494 HD13 LEU    34      -8.615   4.636 -13.964  1.00  1.00           H
+ATOM    495 HD21 LEU    34     -11.368   7.886 -14.301  1.00  1.00           H
+ATOM    496 HD22 LEU    34     -11.229   6.766 -15.677  1.00  1.00           H
+ATOM    497 HD23 LEU    34     -11.920   6.202 -14.137  1.00  1.00           H
+ATOM    498  N   VAL    35      -6.548   6.867 -12.423  1.00  1.00           N
+ATOM    499  CA  VAL    35      -5.211   6.307 -12.519  1.00  1.00           C
+ATOM    500  C   VAL    35      -5.287   4.787 -12.364  1.00  1.00           C
+ATOM    501  O   VAL    35      -5.848   4.287 -11.390  1.00  1.00           O
+ATOM    505  H   VAL    35      -7.124   6.466 -11.710  1.00  1.00           H
+ATOM    506  HA  VAL    35      -4.828   6.539 -13.513  1.00  1.00           H
+ATOM    502  CB  VAL    35      -4.292   6.967 -11.491  1.00  1.00           C
+ATOM    503  CG1 VAL    35      -3.439   5.923 -10.767  1.00  1.00           C
+ATOM    504  CG2 VAL    35      -3.411   8.033 -12.147  1.00  1.00           C
+ATOM    507  HB  VAL    35      -4.918   7.461 -10.749  1.00  1.00           H
+ATOM    508 HG11 VAL    35      -4.088   5.164 -10.329  1.00  1.00           H
+ATOM    509 HG12 VAL    35      -2.759   5.453 -11.478  1.00  1.00           H
+ATOM    510 HG13 VAL    35      -2.864   6.408  -9.978  1.00  1.00           H
+ATOM    511 HG21 VAL    35      -3.425   7.900 -13.228  1.00  1.00           H
+ATOM    512 HG22 VAL    35      -3.794   9.024 -11.898  1.00  1.00           H
+ATOM    513 HG23 VAL    35      -2.390   7.937 -11.782  1.00  1.00           H
+ATOM    514  N   ARG    36      -4.718   4.095 -13.339  1.00  1.00           N
+ATOM    515  CA  ARG    36      -4.714   2.642 -13.324  1.00  1.00           C
+ATOM    516  C   ARG    36      -3.282   2.114 -13.430  1.00  1.00           C
+ATOM    517  O   ARG    36      -2.352   2.877 -13.684  1.00  1.00           O
+ATOM    525  H   ARG    36      -4.264   4.509 -14.129  1.00  1.00           H
+ATOM    526  HA  ARG    36      -5.161   2.372 -12.365  1.00  1.00           H
+ATOM    518  CB  ARG    36      -5.548   2.076 -14.475  1.00  1.00           C
+ATOM    519  CG  ARG    36      -6.635   1.135 -13.954  1.00  1.00           C
+ATOM    520  CD  ARG    36      -7.831   1.923 -13.417  1.00  1.00           C
+ATOM    521  NE  ARG    36      -7.456   2.620 -12.167  1.00  1.00           N
+ATOM    522  CZ  ARG    36      -7.173   1.997 -11.014  1.00  1.00           C
+ATOM    523  NH1 ARG    36      -7.220   0.661 -10.946  1.00  1.00           N
+ATOM    524  NH2 ARG    36      -6.843   2.712  -9.930  1.00  1.00           N
+ATOM    527  HB2 ARG    36      -6.005   2.893 -15.033  1.00  1.00           H
+ATOM    528  HB3 ARG    36      -4.899   1.540 -15.168  1.00  1.00           H
+ATOM    529  HG2 ARG    36      -6.962   0.473 -14.755  1.00  1.00           H
+ATOM    530  HG3 ARG    36      -6.227   0.503 -13.165  1.00  1.00           H
+ATOM    531  HD2 ARG    36      -8.163   2.647 -14.161  1.00  1.00           H
+ATOM    532  HD3 ARG    36      -8.667   1.249 -13.230  1.00  1.00           H
+ATOM    533  HE  ARG    36      -7.412   3.619 -12.181  1.00  1.00           H
+ATOM    534 HH11 ARG    36      -7.467   0.127 -11.757  1.00  1.00           H
+ATOM    535 HH12 ARG    36      -7.009   0.196 -10.087  1.00  1.00           H
+ATOM    536 HH21 ARG    36      -6.807   3.710  -9.980  1.00  1.00           H
+ATOM    537 HH22 ARG    36      -6.632   2.247  -9.070  1.00  1.00           H
+ATOM    538  N   GLU    37      -3.150   0.810 -13.232  1.00  1.00           N
+ATOM    539  CA  GLU    37      -1.847   0.170 -13.302  1.00  1.00           C
+ATOM    540  C   GLU    37      -1.757  -0.713 -14.550  1.00  1.00           C
+ATOM    541  O   GLU    37      -2.677  -1.477 -14.840  1.00  1.00           O
+ATOM    547  H   GLU    37      -3.911   0.195 -13.026  1.00  1.00           H
+ATOM    548  HA  GLU    37      -1.128   0.986 -13.375  1.00  1.00           H
+ATOM    542  CB  GLU    37      -1.563  -0.639 -12.036  1.00  1.00           C
+ATOM    543  CG  GLU    37      -0.243  -0.208 -11.394  1.00  1.00           C
+ATOM    544  CD  GLU    37       0.423  -1.380 -10.670  1.00  1.00           C
+ATOM    545  OE1 GLU    37       0.111  -1.557  -9.473  1.00  1.00           O
+ATOM    546  OE2 GLU    37       1.229  -2.071 -11.330  1.00  1.00           O
+ATOM    549  HB2 GLU    37      -2.378  -0.504 -11.324  1.00  1.00           H
+ATOM    550  HB3 GLU    37      -1.524  -1.700 -12.279  1.00  1.00           H
+ATOM    551  HG2 GLU    37       0.427   0.179 -12.161  1.00  1.00           H
+ATOM    552  HG3 GLU    37      -0.425   0.604 -10.690  1.00  1.00           H
+ATOM    553  N   SER    38      -0.641  -0.580 -15.250  1.00  1.00           N
+ATOM    554  CA  SER    38      -0.420  -1.357 -16.458  1.00  1.00           C
+ATOM    555  C   SER    38      -0.530  -2.851 -16.147  1.00  1.00           C
+ATOM    556  O   SER    38      -0.864  -3.233 -15.026  1.00  1.00           O
+ATOM    559  H   SER    38       0.102   0.043 -15.007  1.00  1.00           H
+ATOM    560  HA  SER    38      -1.206  -1.050 -17.148  1.00  1.00           H
+ATOM    557  CB  SER    38       0.946  -1.043 -17.073  1.00  1.00           C
+ATOM    558  OG  SER    38       1.699  -2.223 -17.333  1.00  1.00           O
+ATOM    561  HB2 SER    38       0.807  -0.489 -18.002  1.00  1.00           H
+ATOM    562  HB3 SER    38       1.507  -0.396 -16.397  1.00  1.00           H
+ATOM    563  HG  SER    38       2.044  -2.209 -18.271  1.00  1.00           H
+ATOM    564  N   GLU    39      -0.244  -3.656 -17.160  1.00  1.00           N
+ATOM    565  CA  GLU    39      -0.305  -5.100 -17.009  1.00  1.00           C
+ATOM    566  C   GLU    39       0.979  -5.622 -16.361  1.00  1.00           C
+ATOM    567  O   GLU    39       1.390  -5.135 -15.309  1.00  1.00           O
+ATOM    573  H   GLU    39       0.027  -3.338 -18.068  1.00  1.00           H
+ATOM    574  HA  GLU    39      -1.154  -5.286 -16.349  1.00  1.00           H
+ATOM    568  CB  GLU    39      -0.559  -5.782 -18.354  1.00  1.00           C
+ATOM    569  CG  GLU    39      -1.788  -5.190 -19.047  1.00  1.00           C
+ATOM    570  CD  GLU    39      -1.986  -5.806 -20.433  1.00  1.00           C
+ATOM    571  OE1 GLU    39      -1.937  -7.052 -20.513  1.00  1.00           O
+ATOM    572  OE2 GLU    39      -2.183  -5.016 -21.382  1.00  1.00           O
+ATOM    575  HB2 GLU    39       0.315  -5.665 -18.995  1.00  1.00           H
+ATOM    576  HB3 GLU    39      -0.703  -6.852 -18.202  1.00  1.00           H
+ATOM    577  HG2 GLU    39      -2.675  -5.367 -18.436  1.00  1.00           H
+ATOM    578  HG3 GLU    39      -1.674  -4.110 -19.137  1.00  1.00           H
+ATOM    579  N   SER    40       1.575  -6.606 -17.018  1.00  1.00           N
+ATOM    580  CA  SER    40       2.804  -7.200 -16.520  1.00  1.00           C
+ATOM    581  C   SER    40       3.955  -6.199 -16.638  1.00  1.00           C
+ATOM    582  O   SER    40       4.733  -6.252 -17.588  1.00  1.00           O
+ATOM    585  H   SER    40       1.234  -6.997 -17.872  1.00  1.00           H
+ATOM    586  HA  SER    40       2.608  -7.436 -15.474  1.00  1.00           H
+ATOM    583  CB  SER    40       3.141  -8.487 -17.277  1.00  1.00           C
+ATOM    584  OG  SER    40       2.083  -9.437 -17.212  1.00  1.00           O
+ATOM    587  HB2 SER    40       3.351  -8.249 -18.320  1.00  1.00           H
+ATOM    588  HB3 SER    40       4.048  -8.925 -16.861  1.00  1.00           H
+ATOM    589  HG  SER    40       1.944  -9.731 -16.265  1.00  1.00           H
+ATOM    590  N   SER    41       4.026  -5.309 -15.658  1.00  1.00           N
+ATOM    591  CA  SER    41       5.068  -4.297 -15.640  1.00  1.00           C
+ATOM    592  C   SER    41       5.764  -4.287 -14.277  1.00  1.00           C
+ATOM    593  O   SER    41       5.161  -4.639 -13.266  1.00  1.00           O
+ATOM    596  H   SER    41       3.388  -5.275 -14.888  1.00  1.00           H
+ATOM    597  HA  SER    41       5.766  -4.587 -16.425  1.00  1.00           H
+ATOM    594  CB  SER    41       4.496  -2.912 -15.954  1.00  1.00           C
+ATOM    595  OG  SER    41       3.138  -2.790 -15.542  1.00  1.00           O
+ATOM    598  HB2 SER    41       5.096  -2.152 -15.455  1.00  1.00           H
+ATOM    599  HB3 SER    41       4.569  -2.724 -17.025  1.00  1.00           H
+ATOM    600  HG  SER    41       2.974  -3.351 -14.730  1.00  1.00           H
+ATOM    601  N   PRO    42       7.059  -3.869 -14.298  1.00  1.00           N
+ATOM    602  CA  PRO    42       7.844  -3.810 -13.076  1.00  1.00           C
+ATOM    603  C   PRO    42       7.434  -2.610 -12.218  1.00  1.00           C
+ATOM    604  O   PRO    42       8.030  -2.357 -11.173  1.00  1.00           O
+ATOM    608  HA  PRO    42       7.674  -4.618 -12.514  1.00  1.00           H
+ATOM    605  CB  PRO    42       9.289  -3.739 -13.541  1.00  1.00           C
+ATOM    606  CG  PRO    42       9.238  -3.295 -14.994  1.00  1.00           C
+ATOM    607  CD  PRO    42       7.805  -3.444 -15.478  1.00  1.00           C
+ATOM    609  HB2 PRO    42       9.861  -3.034 -12.937  1.00  1.00           H
+ATOM    610  HB3 PRO    42       9.777  -4.709 -13.446  1.00  1.00           H
+ATOM    611  HG2 PRO    42       9.569  -2.260 -15.088  1.00  1.00           H
+ATOM    612  HG3 PRO    42       9.912  -3.901 -15.602  1.00  1.00           H
+ATOM    613  HD2 PRO    42       7.421  -2.504 -15.872  1.00  1.00           H
+ATOM    614  HD3 PRO    42       7.732  -4.180 -16.278  1.00  1.00           H
+ATOM    615  N   GLY    43       6.417  -1.904 -12.693  1.00  1.00           N
+ATOM    616  CA  GLY    43       5.919  -0.738 -11.983  1.00  1.00           C
+ATOM    617  C   GLY    43       5.465   0.347 -12.961  1.00  1.00           C
+ATOM    618  O   GLY    43       5.958   1.472 -12.918  1.00  1.00           O
+ATOM    619  H   GLY    43       5.938  -2.117 -13.544  1.00  1.00           H
+ATOM    620  HA2 GLY    43       5.087  -1.028 -11.340  1.00  1.00           H
+ATOM    621  HA3 GLY    43       6.701  -0.344 -11.333  1.00  1.00           H
+ATOM    622  N   GLN    44       4.529  -0.030 -13.819  1.00  1.00           N
+ATOM    623  CA  GLN    44       4.001   0.896 -14.806  1.00  1.00           C
+ATOM    624  C   GLN    44       2.632   1.417 -14.367  1.00  1.00           C
+ATOM    625  O   GLN    44       1.883   0.712 -13.692  1.00  1.00           O
+ATOM    631  H   GLN    44       4.133  -0.948 -13.847  1.00  1.00           H
+ATOM    632  HA  GLN    44       4.715   1.719 -14.842  1.00  1.00           H
+ATOM    626  CB  GLN    44       3.923   0.241 -16.187  1.00  1.00           C
+ATOM    627  CG  GLN    44       5.200   0.494 -16.988  1.00  1.00           C
+ATOM    628  CD  GLN    44       6.429  -0.031 -16.242  1.00  1.00           C
+ATOM    629  OE1 GLN    44       6.347  -0.526 -15.130  1.00  1.00           O
+ATOM    630  NE2 GLN    44       7.569   0.105 -16.914  1.00  1.00           N
+ATOM    633  HB2 GLN    44       3.766  -0.832 -16.075  1.00  1.00           H
+ATOM    634  HB3 GLN    44       3.063   0.634 -16.731  1.00  1.00           H
+ATOM    635  HG2 GLN    44       5.126   0.009 -17.961  1.00  1.00           H
+ATOM    636  HG3 GLN    44       5.312   1.564 -17.172  1.00  1.00           H
+ATOM    637 HE21 GLN    44       7.567   0.521 -17.822  1.00  1.00           H
+ATOM    638 HE22 GLN    44       8.427  -0.208 -16.509  1.00  1.00           H
+ATOM    639  N   ARG    45       2.345   2.647 -14.768  1.00  1.00           N
+ATOM    640  CA  ARG    45       1.078   3.269 -14.423  1.00  1.00           C
+ATOM    641  C   ARG    45       0.413   3.846 -15.676  1.00  1.00           C
+ATOM    642  O   ARG    45       1.095   4.314 -16.586  1.00  1.00           O
+ATOM    650  H   ARG    45       2.959   3.214 -15.316  1.00  1.00           H
+ATOM    651  HA  ARG    45       0.479   2.466 -13.996  1.00  1.00           H
+ATOM    643  CB  ARG    45       1.275   4.389 -13.399  1.00  1.00           C
+ATOM    644  CG  ARG    45       0.022   5.260 -13.291  1.00  1.00           C
+ATOM    645  CD  ARG    45       0.081   6.428 -14.277  1.00  1.00           C
+ATOM    646  NE  ARG    45      -0.497   7.643 -13.658  1.00  1.00           N
+ATOM    647  CZ  ARG    45       0.213   8.732 -13.335  1.00  1.00           C
+ATOM    648  NH1 ARG    45       1.531   8.767 -13.571  1.00  1.00           N
+ATOM    649  NH2 ARG    45      -0.396   9.788 -12.778  1.00  1.00           N
+ATOM    652  HB2 ARG    45       1.507   3.958 -12.425  1.00  1.00           H
+ATOM    653  HB3 ARG    45       2.127   5.004 -13.686  1.00  1.00           H
+ATOM    654  HG2 ARG    45      -0.863   4.656 -13.489  1.00  1.00           H
+ATOM    655  HG3 ARG    45      -0.075   5.642 -12.274  1.00  1.00           H
+ATOM    656  HD2 ARG    45       1.113   6.616 -14.570  1.00  1.00           H
+ATOM    657  HD3 ARG    45      -0.467   6.178 -15.185  1.00  1.00           H
+ATOM    658  HE  ARG    45      -1.479   7.650 -13.467  1.00  1.00           H
+ATOM    659 HH11 ARG    45       1.986   7.979 -13.988  1.00  1.00           H
+ATOM    660 HH12 ARG    45       2.062   9.580 -13.330  1.00  1.00           H
+ATOM    661 HH21 ARG    45      -1.380   9.762 -12.601  1.00  1.00           H
+ATOM    662 HH22 ARG    45       0.134  10.601 -12.537  1.00  1.00           H
+ATOM    663  N   SER    46      -0.911   3.793 -15.681  1.00  1.00           N
+ATOM    664  CA  SER    46      -1.675   4.304 -16.806  1.00  1.00           C
+ATOM    665  C   SER    46      -2.683   5.350 -16.322  1.00  1.00           C
+ATOM    666  O   SER    46      -2.837   5.559 -15.119  1.00  1.00           O
+ATOM    669  H   SER    46      -1.459   3.411 -14.936  1.00  1.00           H
+ATOM    670  HA  SER    46      -0.942   4.758 -17.470  1.00  1.00           H
+ATOM    667  CB  SER    46      -2.397   3.173 -17.540  1.00  1.00           C
+ATOM    668  OG  SER    46      -1.879   2.971 -18.852  1.00  1.00           O
+ATOM    671  HB2 SER    46      -2.302   2.250 -16.968  1.00  1.00           H
+ATOM    672  HB3 SER    46      -3.462   3.400 -17.602  1.00  1.00           H
+ATOM    673  HG  SER    46      -2.142   2.069 -19.190  1.00  1.00           H
+ATOM    674  N   ILE    47      -3.342   5.978 -17.283  1.00  1.00           N
+ATOM    675  CA  ILE    47      -4.331   6.998 -16.971  1.00  1.00           C
+ATOM    676  C   ILE    47      -5.633   6.682 -17.709  1.00  1.00           C
+ATOM    677  O   ILE    47      -5.620   6.402 -18.906  1.00  1.00           O
+ATOM    682  H   ILE    47      -3.210   5.802 -18.259  1.00  1.00           H
+ATOM    683  HA  ILE    47      -4.521   6.950 -15.899  1.00  1.00           H
+ATOM    678  CB  ILE    47      -3.776   8.391 -17.271  1.00  1.00           C
+ATOM    679  CG1 ILE    47      -3.847   9.289 -16.034  1.00  1.00           C
+ATOM    680  CG2 ILE    47      -4.486   9.016 -18.473  1.00  1.00           C
+ATOM    681  CD1 ILE    47      -2.446   9.655 -15.541  1.00  1.00           C
+ATOM    684  HB  ILE    47      -2.724   8.291 -17.535  1.00  1.00           H
+ATOM    685 HG12 ILE    47      -4.403  10.195 -16.269  1.00  1.00           H
+ATOM    686 HG13 ILE    47      -4.392   8.776 -15.241  1.00  1.00           H
+ATOM    687 HG21 ILE    47      -5.531   8.704 -18.483  1.00  1.00           H
+ATOM    688 HG22 ILE    47      -4.433  10.103 -18.403  1.00  1.00           H
+ATOM    689 HG23 ILE    47      -4.002   8.688 -19.393  1.00  1.00           H
+ATOM    690 HD11 ILE    47      -1.897  10.153 -16.342  1.00  1.00           H
+ATOM    691 HD12 ILE    47      -2.526  10.326 -14.685  1.00  1.00           H
+ATOM    692 HD13 ILE    47      -1.915   8.750 -15.247  1.00  1.00           H
+ATOM    693  N   SER    48      -6.726   6.737 -16.962  1.00  1.00           N
+ATOM    694  CA  SER    48      -8.035   6.460 -17.530  1.00  1.00           C
+ATOM    695  C   SER    48      -8.885   7.733 -17.531  1.00  1.00           C
+ATOM    696  O   SER    48      -9.382   8.152 -16.487  1.00  1.00           O
+ATOM    699  H   SER    48      -6.728   6.965 -15.989  1.00  1.00           H
+ATOM    700  HA  SER    48      -7.842   6.127 -18.550  1.00  1.00           H
+ATOM    697  CB  SER    48      -8.747   5.347 -16.759  1.00  1.00           C
+ATOM    698  OG  SER    48      -8.876   4.158 -17.533  1.00  1.00           O
+ATOM    701  HB2 SER    48      -8.192   5.128 -15.845  1.00  1.00           H
+ATOM    702  HB3 SER    48      -9.735   5.692 -16.455  1.00  1.00           H
+ATOM    703  HG  SER    48      -9.775   4.130 -17.969  1.00  1.00           H
+ATOM    704  N   LEU    49      -9.025   8.312 -18.716  1.00  1.00           N
+ATOM    705  CA  LEU    49      -9.804   9.528 -18.866  1.00  1.00           C
+ATOM    706  C   LEU    49     -11.189   9.175 -19.414  1.00  1.00           C
+ATOM    707  O   LEU    49     -11.311   8.353 -20.320  1.00  1.00           O
+ATOM    712  H   LEU    49      -8.616   7.964 -19.559  1.00  1.00           H
+ATOM    713  HA  LEU    49      -9.927   9.963 -17.875  1.00  1.00           H
+ATOM    708  CB  LEU    49      -9.048  10.549 -19.718  1.00  1.00           C
+ATOM    709  CG  LEU    49      -7.580  10.227 -20.003  1.00  1.00           C
+ATOM    710  CD1 LEU    49      -7.370   9.884 -21.480  1.00  1.00           C
+ATOM    711  CD2 LEU    49      -6.669  11.368 -19.545  1.00  1.00           C
+ATOM    714  HB2 LEU    49      -9.568  10.654 -20.671  1.00  1.00           H
+ATOM    715  HB3 LEU    49      -9.098  11.517 -19.219  1.00  1.00           H
+ATOM    716  HG  LEU    49      -7.305   9.344 -19.426  1.00  1.00           H
+ATOM    717 HD11 LEU    49      -8.150  10.355 -22.076  1.00  1.00           H
+ATOM    718 HD12 LEU    49      -6.394  10.250 -21.801  1.00  1.00           H
+ATOM    719 HD13 LEU    49      -7.414   8.803 -21.611  1.00  1.00           H
+ATOM    720 HD21 LEU    49      -7.227  12.304 -19.553  1.00  1.00           H
+ATOM    721 HD22 LEU    49      -6.314  11.167 -18.535  1.00  1.00           H
+ATOM    722 HD23 LEU    49      -5.817  11.447 -20.220  1.00  1.00           H
+ATOM    723  N   ARG    50     -12.198   9.817 -18.841  1.00  1.00           N
+ATOM    724  CA  ARG    50     -13.568   9.581 -19.261  1.00  1.00           C
+ATOM    725  C   ARG    50     -14.099  10.785 -20.044  1.00  1.00           C
+ATOM    726  O   ARG    50     -13.912  11.928 -19.631  1.00  1.00           O
+ATOM    734  H   ARG    50     -12.089  10.484 -18.105  1.00  1.00           H
+ATOM    735  HA  ARG    50     -13.519   8.693 -19.892  1.00  1.00           H
+ATOM    727  CB  ARG    50     -14.477   9.325 -18.057  1.00  1.00           C
+ATOM    728  CG  ARG    50     -15.904   9.806 -18.333  1.00  1.00           C
+ATOM    729  CD  ARG    50     -16.928   8.749 -17.916  1.00  1.00           C
+ATOM    730  NE  ARG    50     -17.264   7.886 -19.069  1.00  1.00           N
+ATOM    731  CZ  ARG    50     -18.034   6.792 -18.991  1.00  1.00           C
+ATOM    732  NH1 ARG    50     -18.554   6.422 -17.813  1.00  1.00           N
+ATOM    733  NH2 ARG    50     -18.285   6.068 -20.091  1.00  1.00           N
+ATOM    736  HB2 ARG    50     -14.487   8.260 -17.824  1.00  1.00           H
+ATOM    737  HB3 ARG    50     -14.080   9.839 -17.181  1.00  1.00           H
+ATOM    738  HG2 ARG    50     -16.090  10.732 -17.792  1.00  1.00           H
+ATOM    739  HG3 ARG    50     -16.016  10.028 -19.394  1.00  1.00           H
+ATOM    740  HD2 ARG    50     -16.528   8.145 -17.102  1.00  1.00           H
+ATOM    741  HD3 ARG    50     -17.830   9.233 -17.540  1.00  1.00           H
+ATOM    742  HE  ARG    50     -16.892   8.134 -19.965  1.00  1.00           H
+ATOM    743 HH11 ARG    50     -18.366   6.962 -16.992  1.00  1.00           H
+ATOM    744 HH12 ARG    50     -19.128   5.606 -17.754  1.00  1.00           H
+ATOM    745 HH21 ARG    50     -17.898   6.345 -20.970  1.00  1.00           H
+ATOM    746 HH22 ARG    50     -18.860   5.253 -20.032  1.00  1.00           H
+ATOM    747  N   TYR    51     -14.747  10.485 -21.158  1.00  1.00           N
+ATOM    748  CA  TYR    51     -15.305  11.528 -22.004  1.00  1.00           C
+ATOM    749  C   TYR    51     -16.834  11.470 -22.008  1.00  1.00           C
+ATOM    750  O   TYR    51     -17.440  10.913 -21.094  1.00  1.00           O
+ATOM    759  H   TYR    51     -14.894   9.552 -21.488  1.00  1.00           H
+ATOM    760  HA  TYR    51     -14.986  12.490 -21.604  1.00  1.00           H
+ATOM    751  CB  TYR    51     -14.791  11.245 -23.417  1.00  1.00           C
+ATOM    752  CG  TYR    51     -13.689  12.199 -23.881  1.00  1.00           C
+ATOM    753  CD1 TYR    51     -12.438  12.139 -23.302  1.00  1.00           C
+ATOM    754  CD2 TYR    51     -13.947  13.118 -24.879  1.00  1.00           C
+ATOM    755  CE1 TYR    51     -11.400  13.038 -23.739  1.00  1.00           C
+ATOM    756  CE2 TYR    51     -12.908  14.015 -25.314  1.00  1.00           C
+ATOM    757  CZ  TYR    51     -11.686  13.931 -24.724  1.00  1.00           C
+ATOM    758  OH  TYR    51     -10.706  14.779 -25.136  1.00  1.00           O
+ATOM    761  HB2 TYR    51     -14.416  10.222 -23.459  1.00  1.00           H
+ATOM    762  HB3 TYR    51     -15.628  11.306 -24.115  1.00  1.00           H
+ATOM    763  HD1 TYR    51     -12.235  11.413 -22.515  1.00  1.00           H
+ATOM    764  HD2 TYR    51     -14.935  13.164 -25.335  1.00  1.00           H
+ATOM    765  HE1 TYR    51     -10.407  13.002 -23.291  1.00  1.00           H
+ATOM    766  HE2 TYR    51     -13.098  14.746 -26.101  1.00  1.00           H
+ATOM    767  HH  TYR    51     -10.802  15.662 -24.677  1.00  1.00           H
+ATOM    768  N   GLU    52     -17.413  12.054 -23.047  1.00  1.00           N
+ATOM    769  CA  GLU    52     -18.860  12.077 -23.182  1.00  1.00           C
+ATOM    770  C   GLU    52     -19.389  10.666 -23.453  1.00  1.00           C
+ATOM    771  O   GLU    52     -20.154  10.457 -24.393  1.00  1.00           O
+ATOM    777  H   GLU    52     -16.912  12.505 -23.786  1.00  1.00           H
+ATOM    778  HA  GLU    52     -19.235  12.435 -22.224  1.00  1.00           H
+ATOM    772  CB  GLU    52     -19.293  13.046 -24.283  1.00  1.00           C
+ATOM    773  CG  GLU    52     -19.157  14.497 -23.820  1.00  1.00           C
+ATOM    774  CD  GLU    52     -18.606  15.382 -24.939  1.00  1.00           C
+ATOM    775  OE1 GLU    52     -19.109  15.239 -26.075  1.00  1.00           O
+ATOM    776  OE2 GLU    52     -17.696  16.182 -24.635  1.00  1.00           O
+ATOM    779  HB2 GLU    52     -18.683  12.887 -25.172  1.00  1.00           H
+ATOM    780  HB3 GLU    52     -20.326  12.844 -24.565  1.00  1.00           H
+ATOM    781  HG2 GLU    52     -20.131  14.873 -23.501  1.00  1.00           H
+ATOM    782  HG3 GLU    52     -18.498  14.547 -22.954  1.00  1.00           H
+ATOM    783  N   GLY    53     -18.962   9.737 -22.612  1.00  1.00           N
+ATOM    784  CA  GLY    53     -19.384   8.353 -22.749  1.00  1.00           C
+ATOM    785  C   GLY    53     -18.275   7.501 -23.369  1.00  1.00           C
+ATOM    786  O   GLY    53     -18.549   6.603 -24.164  1.00  1.00           O
+ATOM    787  H   GLY    53     -18.341   9.916 -21.849  1.00  1.00           H
+ATOM    788  HA2 GLY    53     -19.651   7.952 -21.771  1.00  1.00           H
+ATOM    789  HA3 GLY    53     -20.278   8.301 -23.371  1.00  1.00           H
+ATOM    790  N   ARG    54     -17.047   7.812 -22.982  1.00  1.00           N
+ATOM    791  CA  ARG    54     -15.896   7.086 -23.491  1.00  1.00           C
+ATOM    792  C   ARG    54     -14.763   7.098 -22.461  1.00  1.00           C
+ATOM    793  O   ARG    54     -14.559   8.094 -21.769  1.00  1.00           O
+ATOM    801  H   ARG    54     -16.833   8.544 -22.336  1.00  1.00           H
+ATOM    802  HA  ARG    54     -16.258   6.074 -23.662  1.00  1.00           H
+ATOM    794  CB  ARG    54     -15.392   7.699 -24.799  1.00  1.00           C
+ATOM    795  CG  ARG    54     -15.369   6.656 -25.920  1.00  1.00           C
+ATOM    796  CD  ARG    54     -16.758   6.490 -26.540  1.00  1.00           C
+ATOM    797  NE  ARG    54     -16.641   5.877 -27.883  1.00  1.00           N
+ATOM    798  CZ  ARG    54     -16.465   6.573 -29.014  1.00  1.00           C
+ATOM    799  NH1 ARG    54     -16.382   7.910 -28.971  1.00  1.00           N
+ATOM    800  NH2 ARG    54     -16.370   5.933 -30.187  1.00  1.00           N
+ATOM    803  HB2 ARG    54     -16.033   8.533 -25.085  1.00  1.00           H
+ATOM    804  HB3 ARG    54     -14.390   8.103 -24.654  1.00  1.00           H
+ATOM    805  HG2 ARG    54     -14.657   6.959 -26.688  1.00  1.00           H
+ATOM    806  HG3 ARG    54     -15.027   5.700 -25.525  1.00  1.00           H
+ATOM    807  HD2 ARG    54     -17.379   5.865 -25.899  1.00  1.00           H
+ATOM    808  HD3 ARG    54     -17.250   7.460 -26.616  1.00  1.00           H
+ATOM    809  HE  ARG    54     -16.698   4.881 -27.950  1.00  1.00           H
+ATOM    810 HH11 ARG    54     -16.453   8.388 -28.097  1.00  1.00           H
+ATOM    811 HH12 ARG    54     -16.250   8.430 -29.816  1.00  1.00           H
+ATOM    812 HH21 ARG    54     -16.431   4.935 -30.219  1.00  1.00           H
+ATOM    813 HH22 ARG    54     -16.238   6.452 -31.031  1.00  1.00           H
+ATOM    814  N   VAL    55     -14.058   5.979 -22.392  1.00  1.00           N
+ATOM    815  CA  VAL    55     -12.952   5.847 -21.458  1.00  1.00           C
+ATOM    816  C   VAL    55     -11.659   5.603 -22.238  1.00  1.00           C
+ATOM    817  O   VAL    55     -11.567   4.652 -23.015  1.00  1.00           O
+ATOM    821  H   VAL    55     -14.231   5.173 -22.958  1.00  1.00           H
+ATOM    822  HA  VAL    55     -12.864   6.791 -20.920  1.00  1.00           H
+ATOM    818  CB  VAL    55     -13.255   4.746 -20.440  1.00  1.00           C
+ATOM    819  CG1 VAL    55     -13.252   3.368 -21.106  1.00  1.00           C
+ATOM    820  CG2 VAL    55     -12.267   4.793 -19.272  1.00  1.00           C
+ATOM    823  HB  VAL    55     -14.254   4.924 -20.042  1.00  1.00           H
+ATOM    824 HG11 VAL    55     -12.280   3.190 -21.569  1.00  1.00           H
+ATOM    825 HG12 VAL    55     -13.444   2.601 -20.355  1.00  1.00           H
+ATOM    826 HG13 VAL    55     -14.030   3.333 -21.869  1.00  1.00           H
+ATOM    827 HG21 VAL    55     -12.014   5.830 -19.052  1.00  1.00           H
+ATOM    828 HG22 VAL    55     -12.721   4.334 -18.394  1.00  1.00           H
+ATOM    829 HG23 VAL    55     -11.362   4.248 -19.540  1.00  1.00           H
+ATOM    830  N   TYR    56     -10.691   6.475 -22.004  1.00  1.00           N
+ATOM    831  CA  TYR    56      -9.406   6.366 -22.675  1.00  1.00           C
+ATOM    832  C   TYR    56      -8.316   5.918 -21.700  1.00  1.00           C
+ATOM    833  O   TYR    56      -8.111   6.542 -20.661  1.00  1.00           O
+ATOM    842  H   TYR    56     -10.772   7.246 -21.372  1.00  1.00           H
+ATOM    843  HA  TYR    56      -9.503   5.625 -23.467  1.00  1.00           H
+ATOM    834  CB  TYR    56      -9.073   7.771 -23.182  1.00  1.00           C
+ATOM    835  CG  TYR    56      -9.910   8.213 -24.385  1.00  1.00           C
+ATOM    836  CD1 TYR    56     -11.164   8.757 -24.190  1.00  1.00           C
+ATOM    837  CD2 TYR    56      -9.412   8.067 -25.663  1.00  1.00           C
+ATOM    838  CE1 TYR    56     -11.952   9.172 -25.321  1.00  1.00           C
+ATOM    839  CE2 TYR    56     -10.200   8.484 -26.794  1.00  1.00           C
+ATOM    840  CZ  TYR    56     -11.430   9.016 -26.568  1.00  1.00           C
+ATOM    841  OH  TYR    56     -12.175   9.408 -27.636  1.00  1.00           O
+ATOM    844  HB2 TYR    56      -9.218   8.483 -22.371  1.00  1.00           H
+ATOM    845  HB3 TYR    56      -8.019   7.808 -23.453  1.00  1.00           H
+ATOM    846  HD1 TYR    56     -11.558   8.872 -23.180  1.00  1.00           H
+ATOM    847  HD2 TYR    56      -8.421   7.639 -25.816  1.00  1.00           H
+ATOM    848  HE1 TYR    56     -12.944   9.603 -25.182  1.00  1.00           H
+ATOM    849  HE2 TYR    56      -9.818   8.375 -27.810  1.00  1.00           H
+ATOM    850  HH  TYR    56     -12.163   8.699 -28.341  1.00  1.00           H
+ATOM    851  N   HIS    57      -7.644   4.837 -22.072  1.00  1.00           N
+ATOM    852  CA  HIS    57      -6.578   4.297 -21.243  1.00  1.00           C
+ATOM    853  C   HIS    57      -5.237   4.461 -21.960  1.00  1.00           C
+ATOM    854  O   HIS    57      -4.935   3.723 -22.897  1.00  1.00           O
+ATOM    861  H   HIS    57      -7.816   4.335 -22.919  1.00  1.00           H
+ATOM    862  HA  HIS    57      -6.566   4.888 -20.327  1.00  1.00           H
+ATOM    855  CB  HIS    57      -6.871   2.846 -20.859  1.00  1.00           C
+ATOM    856  CG  HIS    57      -8.318   2.582 -20.514  1.00  1.00           C
+ATOM    857  ND1 HIS    57      -8.729   2.197 -19.251  1.00  1.00           N
+ATOM    858  CD2 HIS    57      -9.444   2.652 -21.282  1.00  1.00           C
+ATOM    859  CE1 HIS    57     -10.046   2.044 -19.268  1.00  1.00           C
+ATOM    860  NE2 HIS    57     -10.486   2.326 -20.527  1.00  1.00           N
+ATOM    863  HB2 HIS    57      -6.580   2.196 -21.685  1.00  1.00           H
+ATOM    864  HB3 HIS    57      -6.250   2.573 -20.006  1.00  1.00           H
+ATOM    865  HD1 HIS    57      -8.136   2.057 -18.460  1.00  1.00           H
+ATOM    866  HD2 HIS    57      -9.481   2.930 -22.336  1.00  1.00           H
+ATOM    867  HE1 HIS    57     -10.667   1.745 -18.424  1.00  1.00           H
+ATOM    868  N   TYR    58      -4.467   5.434 -21.493  1.00  1.00           N
+ATOM    869  CA  TYR    58      -3.165   5.705 -22.078  1.00  1.00           C
+ATOM    870  C   TYR    58      -2.060   5.605 -21.025  1.00  1.00           C
+ATOM    871  O   TYR    58      -2.019   6.397 -20.086  1.00  1.00           O
+ATOM    880  H   TYR    58      -4.720   6.029 -20.731  1.00  1.00           H
+ATOM    881  HA  TYR    58      -2.985   4.962 -22.855  1.00  1.00           H
+ATOM    872  CB  TYR    58      -3.227   7.141 -22.600  1.00  1.00           C
+ATOM    873  CG  TYR    58      -3.018   7.264 -24.111  1.00  1.00           C
+ATOM    874  CD1 TYR    58      -4.026   6.894 -24.979  1.00  1.00           C
+ATOM    875  CD2 TYR    58      -1.823   7.745 -24.605  1.00  1.00           C
+ATOM    876  CE1 TYR    58      -3.828   7.010 -26.401  1.00  1.00           C
+ATOM    877  CE2 TYR    58      -1.627   7.862 -26.026  1.00  1.00           C
+ATOM    878  CZ  TYR    58      -2.639   7.488 -26.854  1.00  1.00           C
+ATOM    879  OH  TYR    58      -2.453   7.597 -28.197  1.00  1.00           O
+ATOM    882  HB2 TYR    58      -4.196   7.569 -22.341  1.00  1.00           H
+ATOM    883  HB3 TYR    58      -2.470   7.735 -22.088  1.00  1.00           H
+ATOM    884  HD1 TYR    58      -4.970   6.514 -24.587  1.00  1.00           H
+ATOM    885  HD2 TYR    58      -1.029   8.037 -23.919  1.00  1.00           H
+ATOM    886  HE1 TYR    58      -4.615   6.722 -27.097  1.00  1.00           H
+ATOM    887  HE2 TYR    58      -0.687   8.240 -26.431  1.00  1.00           H
+ATOM    888  HH  TYR    58      -2.622   6.717 -28.638  1.00  1.00           H
+ATOM    889  N   ARG    59      -1.190   4.623 -21.217  1.00  1.00           N
+ATOM    890  CA  ARG    59      -0.089   4.408 -20.296  1.00  1.00           C
+ATOM    891  C   ARG    59       1.007   5.451 -20.528  1.00  1.00           C
+ATOM    892  O   ARG    59       1.291   5.815 -21.667  1.00  1.00           O
+ATOM    900  H   ARG    59      -1.231   3.981 -21.983  1.00  1.00           H
+ATOM    901  HA  ARG    59      -0.529   4.514 -19.304  1.00  1.00           H
+ATOM    893  CB  ARG    59       0.506   3.007 -20.464  1.00  1.00           C
+ATOM    894  CG  ARG    59       0.688   2.664 -21.943  1.00  1.00           C
+ATOM    895  CD  ARG    59       2.073   2.067 -22.201  1.00  1.00           C
+ATOM    896  NE  ARG    59       1.962   0.905 -23.111  1.00  1.00           N
+ATOM    897  CZ  ARG    59       1.322  -0.232 -22.803  1.00  1.00           C
+ATOM    898  NH1 ARG    59       0.733  -0.367 -21.609  1.00  1.00           N
+ATOM    899  NH2 ARG    59       1.272  -1.234 -23.692  1.00  1.00           N
+ATOM    902  HB2 ARG    59       1.468   2.954 -19.952  1.00  1.00           H
+ATOM    903  HB3 ARG    59      -0.147   2.273 -19.994  1.00  1.00           H
+ATOM    904  HG2 ARG    59      -0.081   1.956 -22.253  1.00  1.00           H
+ATOM    905  HG3 ARG    59       0.558   3.561 -22.547  1.00  1.00           H
+ATOM    906  HD2 ARG    59       2.728   2.819 -22.638  1.00  1.00           H
+ATOM    907  HD3 ARG    59       2.526   1.758 -21.258  1.00  1.00           H
+ATOM    908  HE  ARG    59       2.392   0.972 -24.012  1.00  1.00           H
+ATOM    909 HH11 ARG    59       0.769   0.380 -20.945  1.00  1.00           H
+ATOM    910 HH12 ARG    59       0.255  -1.216 -21.379  1.00  1.00           H
+ATOM    911 HH21 ARG    59       1.712  -1.133 -24.584  1.00  1.00           H
+ATOM    912 HH22 ARG    59       0.795  -2.082 -23.464  1.00  1.00           H
+ATOM    913  N   ILE    60       1.594   5.900 -19.428  1.00  1.00           N
+ATOM    914  CA  ILE    60       2.652   6.894 -19.497  1.00  1.00           C
+ATOM    915  C   ILE    60       3.991   6.191 -19.728  1.00  1.00           C
+ATOM    916  O   ILE    60       4.116   4.991 -19.487  1.00  1.00           O
+ATOM    921  H   ILE    60       1.357   5.598 -18.504  1.00  1.00           H
+ATOM    922  HA  ILE    60       2.445   7.533 -20.355  1.00  1.00           H
+ATOM    917  CB  ILE    60       2.632   7.785 -18.254  1.00  1.00           C
+ATOM    918  CG1 ILE    60       1.252   8.414 -18.051  1.00  1.00           C
+ATOM    919  CG2 ILE    60       3.739   8.839 -18.318  1.00  1.00           C
+ATOM    920  CD1 ILE    60       0.708   8.105 -16.655  1.00  1.00           C
+ATOM    923  HB  ILE    60       2.833   7.161 -17.382  1.00  1.00           H
+ATOM    924 HG12 ILE    60       1.316   9.492 -18.191  1.00  1.00           H
+ATOM    925 HG13 ILE    60       0.563   8.035 -18.805  1.00  1.00           H
+ATOM    926 HG21 ILE    60       3.779   9.264 -19.321  1.00  1.00           H
+ATOM    927 HG22 ILE    60       3.529   9.630 -17.597  1.00  1.00           H
+ATOM    928 HG23 ILE    60       4.697   8.377 -18.080  1.00  1.00           H
+ATOM    929 HD11 ILE    60       0.778   7.034 -16.466  1.00  1.00           H
+ATOM    930 HD12 ILE    60       1.294   8.644 -15.910  1.00  1.00           H
+ATOM    931 HD13 ILE    60      -0.335   8.418 -16.594  1.00  1.00           H
+ATOM    932  N   ASN    61       4.958   6.968 -20.194  1.00  1.00           N
+ATOM    933  CA  ASN    61       6.283   6.434 -20.461  1.00  1.00           C
+ATOM    934  C   ASN    61       7.180   6.678 -19.245  1.00  1.00           C
+ATOM    935  O   ASN    61       6.825   7.444 -18.351  1.00  1.00           O
+ATOM    940  H   ASN    61       4.848   7.942 -20.388  1.00  1.00           H
+ATOM    941  HA  ASN    61       6.131   5.374 -20.660  1.00  1.00           H
+ATOM    936  CB  ASN    61       6.923   7.126 -21.666  1.00  1.00           C
+ATOM    937  CG  ASN    61       5.866   7.501 -22.707  1.00  1.00           C
+ATOM    938  OD1 ASN    61       5.131   6.669 -23.211  1.00  1.00           O
+ATOM    939  ND2 ASN    61       5.833   8.798 -23.000  1.00  1.00           N
+ATOM    942  HB2 ASN    61       7.449   8.022 -21.339  1.00  1.00           H
+ATOM    943  HB3 ASN    61       7.665   6.467 -22.116  1.00  1.00           H
+ATOM    944 HD21 ASN    61       6.464   9.429 -22.551  1.00  1.00           H
+ATOM    945 HD22 ASN    61       5.174   9.143 -23.671  1.00  1.00           H
+ATOM    946  N   THR    62       8.326   6.011 -19.253  1.00  1.00           N
+ATOM    947  CA  THR    62       9.275   6.146 -18.161  1.00  1.00           C
+ATOM    948  C   THR    62      10.540   6.862 -18.641  1.00  1.00           C
+ATOM    949  O   THR    62      10.980   6.662 -19.772  1.00  1.00           O
+ATOM    953  H   THR    62       8.606   5.390 -19.984  1.00  1.00           H
+ATOM    954  HA  THR    62       8.827   6.771 -17.390  1.00  1.00           H
+ATOM    950  CB  THR    62       9.546   4.750 -17.595  1.00  1.00           C
+ATOM    951  OG1 THR    62       8.250   4.172 -17.464  1.00  1.00           O
+ATOM    952  CG2 THR    62      10.083   4.793 -16.163  1.00  1.00           C
+ATOM    955  HB  THR    62      10.217   4.189 -18.247  1.00  1.00           H
+ATOM    956  HG1 THR    62       7.712   4.347 -18.288  1.00  1.00           H
+ATOM    957 HG21 THR    62      10.789   5.617 -16.064  1.00  1.00           H
+ATOM    958 HG22 THR    62       9.254   4.938 -15.469  1.00  1.00           H
+ATOM    959 HG23 THR    62      10.587   3.854 -15.936  1.00  1.00           H
+ATOM    960  N   ALA    63      11.088   7.682 -17.757  1.00  1.00           N
+ATOM    961  CA  ALA    63      12.292   8.429 -18.075  1.00  1.00           C
+ATOM    962  C   ALA    63      13.470   7.461 -18.202  1.00  1.00           C
+ATOM    963  O   ALA    63      13.411   6.502 -18.970  1.00  1.00           O
+ATOM    965  H   ALA    63      10.724   7.838 -16.838  1.00  1.00           H
+ATOM    966  HA  ALA    63      12.134   8.921 -19.034  1.00  1.00           H
+ATOM    964  CB  ALA    63      12.529   9.497 -17.004  1.00  1.00           C
+ATOM    967  HB1 ALA    63      11.605  10.047 -16.830  1.00  1.00           H
+ATOM    968  HB2 ALA    63      12.849   9.019 -16.079  1.00  1.00           H
+ATOM    969  HB3 ALA    63      13.303  10.186 -17.344  1.00  1.00           H
+ATOM    970  N   SER    64      14.514   7.744 -17.435  1.00  1.00           N
+ATOM    971  CA  SER    64      15.703   6.909 -17.452  1.00  1.00           C
+ATOM    972  C   SER    64      15.331   5.461 -17.131  1.00  1.00           C
+ATOM    973  O   SER    64      15.387   4.594 -18.003  1.00  1.00           O
+ATOM    976  H   SER    64      14.555   8.526 -16.813  1.00  1.00           H
+ATOM    977  HA  SER    64      16.096   6.988 -18.466  1.00  1.00           H
+ATOM    974  CB  SER    64      16.749   7.421 -16.459  1.00  1.00           C
+ATOM    975  OG  SER    64      17.769   6.456 -16.213  1.00  1.00           O
+ATOM    978  HB2 SER    64      17.201   8.334 -16.847  1.00  1.00           H
+ATOM    979  HB3 SER    64      16.261   7.681 -15.520  1.00  1.00           H
+ATOM    980  HG  SER    64      17.387   5.675 -15.719  1.00  1.00           H
+ATOM    981  N   ASP    65      14.959   5.242 -15.879  1.00  1.00           N
+ATOM    982  CA  ASP    65      14.578   3.913 -15.432  1.00  1.00           C
+ATOM    983  C   ASP    65      13.766   4.027 -14.140  1.00  1.00           C
+ATOM    984  O   ASP    65      14.122   3.431 -13.124  1.00  1.00           O
+ATOM    989  H   ASP    65      14.917   5.953 -15.176  1.00  1.00           H
+ATOM    990  HA  ASP    65      13.999   3.491 -16.253  1.00  1.00           H
+ATOM    985  CB  ASP    65      15.812   3.055 -15.142  1.00  1.00           C
+ATOM    986  CG  ASP    65      15.582   1.544 -15.233  1.00  1.00           C
+ATOM    987  OD1 ASP    65      15.190   0.967 -14.196  1.00  1.00           O
+ATOM    988  OD2 ASP    65      15.808   1.002 -16.336  1.00  1.00           O
+ATOM    991  HB2 ASP    65      16.600   3.331 -15.842  1.00  1.00           H
+ATOM    992  HB3 ASP    65      16.173   3.293 -14.142  1.00  1.00           H
+ATOM    993  N   GLY    66      12.692   4.798 -14.220  1.00  1.00           N
+ATOM    994  CA  GLY    66      11.827   4.998 -13.070  1.00  1.00           C
+ATOM    995  C   GLY    66      10.893   6.191 -13.287  1.00  1.00           C
+ATOM    996  O   GLY    66       9.682   6.019 -13.417  1.00  1.00           O
+ATOM    997  H   GLY    66      12.410   5.280 -15.049  1.00  1.00           H
+ATOM    998  HA2 GLY    66      11.238   4.098 -12.891  1.00  1.00           H
+ATOM    999  HA3 GLY    66      12.432   5.164 -12.179  1.00  1.00           H
+ATOM   1000  N   LYS    67      11.492   7.372 -13.319  1.00  1.00           N
+ATOM   1001  CA  LYS    67      10.729   8.592 -13.518  1.00  1.00           C
+ATOM   1002  C   LYS    67       9.674   8.359 -14.600  1.00  1.00           C
+ATOM   1003  O   LYS    67       9.848   7.504 -15.468  1.00  1.00           O
+ATOM   1009  H   LYS    67      12.478   7.503 -13.213  1.00  1.00           H
+ATOM   1010  HA  LYS    67      10.220   8.815 -12.581  1.00  1.00           H
+ATOM   1004  CB  LYS    67      11.664   9.767 -13.814  1.00  1.00           C
+ATOM   1005  CG  LYS    67      13.090   9.464 -13.346  1.00  1.00           C
+ATOM   1006  CD  LYS    67      13.948  10.730 -13.350  1.00  1.00           C
+ATOM   1007  CE  LYS    67      15.150  10.580 -12.415  1.00  1.00           C
+ATOM   1008  NZ  LYS    67      15.314  11.793 -11.583  1.00  1.00           N
+ATOM   1011  HB2 LYS    67      11.664   9.976 -14.884  1.00  1.00           H
+ATOM   1012  HB3 LYS    67      11.297  10.664 -13.315  1.00  1.00           H
+ATOM   1013  HG2 LYS    67      13.065   9.040 -12.343  1.00  1.00           H
+ATOM   1014  HG3 LYS    67      13.538   8.715 -14.000  1.00  1.00           H
+ATOM   1015  HD2 LYS    67      14.294  10.938 -14.363  1.00  1.00           H
+ATOM   1016  HD3 LYS    67      13.344  11.583 -13.038  1.00  1.00           H
+ATOM   1017  HE2 LYS    67      15.014   9.708 -11.775  1.00  1.00           H
+ATOM   1018  HE3 LYS    67      16.053  10.408 -12.999  1.00  1.00           H
+ATOM   1019  HZ1 LYS    67      15.127  12.605 -12.135  1.00  1.00           H
+ATOM   1020  HZ2 LYS    67      14.674  11.759 -10.814  1.00  1.00           H
+ATOM   1021  HZ3 LYS    67      16.250  11.833 -11.234  1.00  1.00           H
+ATOM   1022  N   LEU    68       8.602   9.133 -14.515  1.00  1.00           N
+ATOM   1023  CA  LEU    68       7.519   9.021 -15.476  1.00  1.00           C
+ATOM   1024  C   LEU    68       7.384  10.338 -16.242  1.00  1.00           C
+ATOM   1025  O   LEU    68       7.062  11.371 -15.655  1.00  1.00           O
+ATOM   1030  H   LEU    68       8.468   9.826 -13.806  1.00  1.00           H
+ATOM   1031  HA  LEU    68       7.790   8.237 -16.184  1.00  1.00           H
+ATOM   1026  CB  LEU    68       6.230   8.578 -14.782  1.00  1.00           C
+ATOM   1027  CG  LEU    68       6.373   7.454 -13.754  1.00  1.00           C
+ATOM   1028  CD1 LEU    68       5.430   7.670 -12.569  1.00  1.00           C
+ATOM   1029  CD2 LEU    68       6.171   6.085 -14.406  1.00  1.00           C
+ATOM   1032  HB2 LEU    68       5.792   9.444 -14.285  1.00  1.00           H
+ATOM   1033  HB3 LEU    68       5.521   8.256 -15.545  1.00  1.00           H
+ATOM   1034  HG  LEU    68       7.392   7.476 -13.363  1.00  1.00           H
+ATOM   1035 HD11 LEU    68       4.491   8.096 -12.926  1.00  1.00           H
+ATOM   1036 HD12 LEU    68       5.233   6.714 -12.084  1.00  1.00           H
+ATOM   1037 HD13 LEU    68       5.892   8.352 -11.857  1.00  1.00           H
+ATOM   1038 HD21 LEU    68       6.657   6.072 -15.382  1.00  1.00           H
+ATOM   1039 HD22 LEU    68       6.607   5.313 -13.772  1.00  1.00           H
+ATOM   1040 HD23 LEU    68       5.105   5.895 -14.529  1.00  1.00           H
+ATOM   1041  N   TYR    69       7.636  10.260 -17.541  1.00  1.00           N
+ATOM   1042  CA  TYR    69       7.545  11.434 -18.392  1.00  1.00           C
+ATOM   1043  C   TYR    69       6.701  11.147 -19.635  1.00  1.00           C
+ATOM   1044  O   TYR    69       6.986  10.208 -20.379  1.00  1.00           O
+ATOM   1053  H   TYR    69       7.895   9.417 -18.010  1.00  1.00           H
+ATOM   1054  HA  TYR    69       7.072  12.231 -17.819  1.00  1.00           H
+ATOM   1045  CB  TYR    69       8.978  11.752 -18.824  1.00  1.00           C
+ATOM   1046  CG  TYR    69       9.416  11.033 -20.102  1.00  1.00           C
+ATOM   1047  CD1 TYR    69       9.555   9.661 -20.108  1.00  1.00           C
+ATOM   1048  CD2 TYR    69       9.673  11.759 -21.248  1.00  1.00           C
+ATOM   1049  CE1 TYR    69       9.969   8.984 -21.311  1.00  1.00           C
+ATOM   1050  CE2 TYR    69      10.084  11.082 -22.451  1.00  1.00           C
+ATOM   1051  CZ  TYR    69      10.212   9.728 -22.423  1.00  1.00           C
+ATOM   1052  OH  TYR    69      10.602   9.090 -23.558  1.00  1.00           O
+ATOM   1055  HB2 TYR    69       9.071  12.827 -18.974  1.00  1.00           H
+ATOM   1056  HB3 TYR    69       9.659  11.482 -18.017  1.00  1.00           H
+ATOM   1057  HD1 TYR    69       9.353   9.088 -19.203  1.00  1.00           H
+ATOM   1058  HD2 TYR    69       9.563  12.843 -21.243  1.00  1.00           H
+ATOM   1059  HE1 TYR    69      10.081   7.900 -21.330  1.00  1.00           H
+ATOM   1060  HE2 TYR    69      10.291  11.642 -23.363  1.00  1.00           H
+ATOM   1061  HH  TYR    69      11.241   8.354 -23.336  1.00  1.00           H
+ATOM   1062  N   VAL    70       5.681  11.970 -19.824  1.00  1.00           N
+ATOM   1063  CA  VAL    70       4.795  11.816 -20.964  1.00  1.00           C
+ATOM   1064  C   VAL    70       5.431  12.473 -22.192  1.00  1.00           C
+ATOM   1065  O   VAL    70       5.315  11.960 -23.305  1.00  1.00           O
+ATOM   1069  H   VAL    70       5.457  12.731 -19.215  1.00  1.00           H
+ATOM   1070  HA  VAL    70       4.687  10.748 -21.154  1.00  1.00           H
+ATOM   1066  CB  VAL    70       3.412  12.381 -20.633  1.00  1.00           C
+ATOM   1067  CG1 VAL    70       2.341  11.779 -21.545  1.00  1.00           C
+ATOM   1068  CG2 VAL    70       3.068  12.158 -19.160  1.00  1.00           C
+ATOM   1071  HB  VAL    70       3.438  13.456 -20.812  1.00  1.00           H
+ATOM   1072 HG11 VAL    70       2.806  11.420 -22.463  1.00  1.00           H
+ATOM   1073 HG12 VAL    70       1.856  10.947 -21.034  1.00  1.00           H
+ATOM   1074 HG13 VAL    70       1.600  12.540 -21.786  1.00  1.00           H
+ATOM   1075 HG21 VAL    70       3.335  11.140 -18.873  1.00  1.00           H
+ATOM   1076 HG22 VAL    70       3.623  12.867 -18.545  1.00  1.00           H
+ATOM   1077 HG23 VAL    70       1.998  12.308 -19.010  1.00  1.00           H
+ATOM   1078  N   SER    71       6.089  13.596 -21.947  1.00  1.00           N
+ATOM   1079  CA  SER    71       6.744  14.328 -23.019  1.00  1.00           C
+ATOM   1080  C   SER    71       8.257  14.121 -22.946  1.00  1.00           C
+ATOM   1081  O   SER    71       8.762  13.062 -23.312  1.00  1.00           O
+ATOM   1084  H   SER    71       6.179  14.006 -21.040  1.00  1.00           H
+ATOM   1085  HA  SER    71       6.345  13.906 -23.942  1.00  1.00           H
+ATOM   1082  CB  SER    71       6.408  15.819 -22.952  1.00  1.00           C
+ATOM   1083  OG  SER    71       7.039  16.556 -23.997  1.00  1.00           O
+ATOM   1086  HB2 SER    71       5.327  15.951 -23.019  1.00  1.00           H
+ATOM   1087  HB3 SER    71       6.719  16.219 -21.988  1.00  1.00           H
+ATOM   1088  HG  SER    71       7.159  15.973 -24.802  1.00  1.00           H
+ATOM   1089  N   SER    72       8.940  15.151 -22.468  1.00  1.00           N
+ATOM   1090  CA  SER    72      10.388  15.096 -22.341  1.00  1.00           C
+ATOM   1091  C   SER    72      10.833  15.864 -21.095  1.00  1.00           C
+ATOM   1092  O   SER    72      11.507  15.309 -20.228  1.00  1.00           O
+ATOM   1095  H   SER    72       8.523  16.010 -22.172  1.00  1.00           H
+ATOM   1096  HA  SER    72      10.628  14.038 -22.245  1.00  1.00           H
+ATOM   1093  CB  SER    72      11.071  15.662 -23.586  1.00  1.00           C
+ATOM   1094  OG  SER    72      10.820  17.056 -23.747  1.00  1.00           O
+ATOM   1097  HB2 SER    72      12.146  15.493 -23.519  1.00  1.00           H
+ATOM   1098  HB3 SER    72      10.720  15.127 -24.468  1.00  1.00           H
+ATOM   1099  HG  SER    72      11.649  17.518 -24.062  1.00  1.00           H
+ATOM   1100  N   GLU    73      10.439  17.128 -21.046  1.00  1.00           N
+ATOM   1101  CA  GLU    73      10.789  17.978 -19.920  1.00  1.00           C
+ATOM   1102  C   GLU    73       9.670  17.966 -18.878  1.00  1.00           C
+ATOM   1103  O   GLU    73       9.675  18.770 -17.947  1.00  1.00           O
+ATOM   1109  H   GLU    73       9.890  17.572 -21.756  1.00  1.00           H
+ATOM   1110  HA  GLU    73      11.694  17.541 -19.499  1.00  1.00           H
+ATOM   1104  CB  GLU    73      11.091  19.405 -20.384  1.00  1.00           C
+ATOM   1105  CG  GLU    73      10.762  19.581 -21.868  1.00  1.00           C
+ATOM   1106  CD  GLU    73      11.217  20.951 -22.372  1.00  1.00           C
+ATOM   1107  OE1 GLU    73      12.348  21.342 -22.010  1.00  1.00           O
+ATOM   1108  OE2 GLU    73      10.424  21.577 -23.109  1.00  1.00           O
+ATOM   1111  HB2 GLU    73      10.511  20.113 -19.792  1.00  1.00           H
+ATOM   1112  HB3 GLU    73      12.143  19.631 -20.213  1.00  1.00           H
+ATOM   1113  HG2 GLU    73      11.249  18.796 -22.448  1.00  1.00           H
+ATOM   1114  HG3 GLU    73       9.688  19.471 -22.022  1.00  1.00           H
+ATOM   1115  N   SER    74       8.737  17.044 -19.067  1.00  1.00           N
+ATOM   1116  CA  SER    74       7.614  16.916 -18.154  1.00  1.00           C
+ATOM   1117  C   SER    74       7.670  15.563 -17.443  1.00  1.00           C
+ATOM   1118  O   SER    74       6.667  14.854 -17.371  1.00  1.00           O
+ATOM   1121  H   SER    74       8.741  16.394 -19.826  1.00  1.00           H
+ATOM   1122  HA  SER    74       7.730  17.731 -17.439  1.00  1.00           H
+ATOM   1119  CB  SER    74       6.283  17.074 -18.893  1.00  1.00           C
+ATOM   1120  OG  SER    74       6.148  16.133 -19.955  1.00  1.00           O
+ATOM   1123  HB2 SER    74       5.461  16.947 -18.189  1.00  1.00           H
+ATOM   1124  HB3 SER    74       6.208  18.085 -19.293  1.00  1.00           H
+ATOM   1125  HG  SER    74       6.085  15.207 -19.584  1.00  1.00           H
+ATOM   1126  N   ARG    75       8.852  15.246 -16.935  1.00  1.00           N
+ATOM   1127  CA  ARG    75       9.051  13.991 -16.231  1.00  1.00           C
+ATOM   1128  C   ARG    75       8.672  14.143 -14.756  1.00  1.00           C
+ATOM   1129  O   ARG    75       8.850  15.211 -14.172  1.00  1.00           O
+ATOM   1137  H   ARG    75       9.661  15.829 -16.997  1.00  1.00           H
+ATOM   1138  HA  ARG    75       8.393  13.282 -16.733  1.00  1.00           H
+ATOM   1130  CB  ARG    75      10.506  13.528 -16.330  1.00  1.00           C
+ATOM   1131  CG  ARG    75      11.059  13.760 -17.738  1.00  1.00           C
+ATOM   1132  CD  ARG    75      12.517  14.221 -17.685  1.00  1.00           C
+ATOM   1133  NE  ARG    75      13.420  13.050 -17.719  1.00  1.00           N
+ATOM   1134  CZ  ARG    75      14.412  12.840 -16.843  1.00  1.00           C
+ATOM   1135  NH1 ARG    75      14.634  13.721 -15.860  1.00  1.00           N
+ATOM   1136  NH2 ARG    75      15.182  11.749 -16.952  1.00  1.00           N
+ATOM   1139  HB2 ARG    75      11.113  14.067 -15.603  1.00  1.00           H
+ATOM   1140  HB3 ARG    75      10.571  12.469 -16.080  1.00  1.00           H
+ATOM   1141  HG2 ARG    75      10.987  12.840 -18.318  1.00  1.00           H
+ATOM   1142  HG3 ARG    75      10.455  14.509 -18.251  1.00  1.00           H
+ATOM   1143  HD2 ARG    75      12.729  14.880 -18.526  1.00  1.00           H
+ATOM   1144  HD3 ARG    75      12.691  14.798 -16.777  1.00  1.00           H
+ATOM   1145  HE  ARG    75      13.281  12.371 -18.442  1.00  1.00           H
+ATOM   1146 HH11 ARG    75      14.060  14.536 -15.778  1.00  1.00           H
+ATOM   1147 HH12 ARG    75      15.375  13.565 -15.206  1.00  1.00           H
+ATOM   1148 HH21 ARG    75      15.015  11.091 -17.687  1.00  1.00           H
+ATOM   1149 HH22 ARG    75      15.922  11.591 -16.299  1.00  1.00           H
+ATOM   1150  N   PHE    76       8.156  13.059 -14.196  1.00  1.00           N
+ATOM   1151  CA  PHE    76       7.751  13.058 -12.800  1.00  1.00           C
+ATOM   1152  C   PHE    76       8.058  11.713 -12.139  1.00  1.00           C
+ATOM   1153  O   PHE    76       7.763  10.660 -12.702  1.00  1.00           O
+ATOM   1161  H   PHE    76       8.013  12.194 -14.677  1.00  1.00           H
+ATOM   1162  HA  PHE    76       8.314  13.845 -12.298  1.00  1.00           H
+ATOM   1154  CB  PHE    76       6.238  13.291 -12.774  1.00  1.00           C
+ATOM   1155  CG  PHE    76       5.777  14.476 -13.624  1.00  1.00           C
+ATOM   1156  CD1 PHE    76       5.821  15.737 -13.116  1.00  1.00           C
+ATOM   1157  CD2 PHE    76       5.321  14.269 -14.890  1.00  1.00           C
+ATOM   1158  CE1 PHE    76       5.392  16.837 -13.906  1.00  1.00           C
+ATOM   1159  CE2 PHE    76       4.892  15.368 -15.679  1.00  1.00           C
+ATOM   1160  CZ  PHE    76       4.936  16.629 -15.171  1.00  1.00           C
+ATOM   1163  HB2 PHE    76       5.735  12.389 -13.122  1.00  1.00           H
+ATOM   1164  HB3 PHE    76       5.923  13.453 -11.743  1.00  1.00           H
+ATOM   1165  HD1 PHE    76       6.186  15.903 -12.103  1.00  1.00           H
+ATOM   1166  HD2 PHE    76       5.285  13.259 -15.297  1.00  1.00           H
+ATOM   1167  HE1 PHE    76       5.428  17.847 -13.499  1.00  1.00           H
+ATOM   1168  HE2 PHE    76       4.528  15.202 -16.692  1.00  1.00           H
+ATOM   1169  HZ  PHE    76       4.607  17.473 -15.776  1.00  1.00           H
+ATOM   1170  N   ASN    77       8.648  11.792 -10.956  1.00  1.00           N
+ATOM   1171  CA  ASN    77       9.000  10.594 -10.213  1.00  1.00           C
+ATOM   1172  C   ASN    77       7.773  10.096  -9.447  1.00  1.00           C
+ATOM   1173  O   ASN    77       7.782   8.991  -8.906  1.00  1.00           O
+ATOM   1178  H   ASN    77       8.885  12.653 -10.506  1.00  1.00           H
+ATOM   1179  HA  ASN    77       9.340   9.881 -10.965  1.00  1.00           H
+ATOM   1174  CB  ASN    77      10.107  10.880  -9.198  1.00  1.00           C
+ATOM   1175  CG  ASN    77      11.247  11.676  -9.838  1.00  1.00           C
+ATOM   1176  OD1 ASN    77      11.064  12.407 -10.797  1.00  1.00           O
+ATOM   1177  ND2 ASN    77      12.428  11.493  -9.256  1.00  1.00           N
+ATOM   1180  HB2 ASN    77       9.698  11.439  -8.356  1.00  1.00           H
+ATOM   1181  HB3 ASN    77      10.493   9.942  -8.800  1.00  1.00           H
+ATOM   1182 HD21 ASN    77      12.509  10.878  -8.471  1.00  1.00           H
+ATOM   1183 HD22 ASN    77      13.237  11.970  -9.603  1.00  1.00           H
+ATOM   1184  N   THR    78       6.747  10.933  -9.426  1.00  1.00           N
+ATOM   1185  CA  THR    78       5.515  10.593  -8.735  1.00  1.00           C
+ATOM   1186  C   THR    78       4.317  10.751  -9.673  1.00  1.00           C
+ATOM   1187  O   THR    78       4.365  11.532 -10.621  1.00  1.00           O
+ATOM   1191  H   THR    78       6.748  11.831  -9.870  1.00  1.00           H
+ATOM   1192  HA  THR    78       5.562   9.542  -8.451  1.00  1.00           H
+ATOM   1188  CB  THR    78       5.423  11.460  -7.479  1.00  1.00           C
+ATOM   1189  OG1 THR    78       5.588  10.536  -6.407  1.00  1.00           O
+ATOM   1190  CG2 THR    78       4.020  12.032  -7.264  1.00  1.00           C
+ATOM   1193  HB  THR    78       6.169  12.254  -7.498  1.00  1.00           H
+ATOM   1194  HG1 THR    78       5.432  10.995  -5.532  1.00  1.00           H
+ATOM   1195 HG21 THR    78       3.510  12.113  -8.225  1.00  1.00           H
+ATOM   1196 HG22 THR    78       3.455  11.372  -6.606  1.00  1.00           H
+ATOM   1197 HG23 THR    78       4.095  13.019  -6.809  1.00  1.00           H
+ATOM   1198  N   LEU    79       3.269   9.996  -9.375  1.00  1.00           N
+ATOM   1199  CA  LEU    79       2.061  10.043 -10.179  1.00  1.00           C
+ATOM   1200  C   LEU    79       1.457  11.446 -10.104  1.00  1.00           C
+ATOM   1201  O   LEU    79       1.299  12.114 -11.125  1.00  1.00           O
+ATOM   1206  H   LEU    79       3.239   9.362  -8.602  1.00  1.00           H
+ATOM   1207  HA  LEU    79       2.347   9.845 -11.212  1.00  1.00           H
+ATOM   1202  CB  LEU    79       1.093   8.934  -9.759  1.00  1.00           C
+ATOM   1203  CG  LEU    79       1.297   7.575 -10.430  1.00  1.00           C
+ATOM   1204  CD1 LEU    79       2.610   6.932  -9.979  1.00  1.00           C
+ATOM   1205  CD2 LEU    79       0.097   6.658 -10.187  1.00  1.00           C
+ATOM   1208  HB2 LEU    79       1.174   8.800  -8.679  1.00  1.00           H
+ATOM   1209  HB3 LEU    79       0.077   9.269  -9.962  1.00  1.00           H
+ATOM   1210  HG  LEU    79       1.368   7.733 -11.505  1.00  1.00           H
+ATOM   1211 HD11 LEU    79       3.049   7.524  -9.175  1.00  1.00           H
+ATOM   1212 HD12 LEU    79       2.415   5.921  -9.620  1.00  1.00           H
+ATOM   1213 HD13 LEU    79       3.302   6.892 -10.819  1.00  1.00           H
+ATOM   1214 HD21 LEU    79      -0.273   6.804  -9.172  1.00  1.00           H
+ATOM   1215 HD22 LEU    79      -0.692   6.897 -10.899  1.00  1.00           H
+ATOM   1216 HD23 LEU    79       0.402   5.619 -10.317  1.00  1.00           H
+ATOM   1217  N   ALA    80       1.135  11.854  -8.884  1.00  1.00           N
+ATOM   1218  CA  ALA    80       0.552  13.167  -8.663  1.00  1.00           C
+ATOM   1219  C   ALA    80       1.319  14.204  -9.485  1.00  1.00           C
+ATOM   1220  O   ALA    80       0.772  14.790 -10.420  1.00  1.00           O
+ATOM   1222  H   ALA    80       1.266  11.304  -8.059  1.00  1.00           H
+ATOM   1223  HA  ALA    80      -0.481  13.134  -9.007  1.00  1.00           H
+ATOM   1221  CB  ALA    80       0.564  13.484  -7.166  1.00  1.00           C
+ATOM   1224  HB1 ALA    80       1.500  13.138  -6.728  1.00  1.00           H
+ATOM   1225  HB2 ALA    80       0.471  14.560  -7.022  1.00  1.00           H
+ATOM   1226  HB3 ALA    80      -0.272  12.979  -6.682  1.00  1.00           H
+ATOM   1227  N   GLU    81       2.573  14.403  -9.108  1.00  1.00           N
+ATOM   1228  CA  GLU    81       3.420  15.362  -9.799  1.00  1.00           C
+ATOM   1229  C   GLU    81       3.159  15.311 -11.306  1.00  1.00           C
+ATOM   1230  O   GLU    81       3.279  16.322 -11.993  1.00  1.00           O
+ATOM   1236  H   GLU    81       3.011  13.923  -8.347  1.00  1.00           H
+ATOM   1237  HA  GLU    81       3.134  16.336  -9.406  1.00  1.00           H
+ATOM   1231  CB  GLU    81       4.897  15.110  -9.489  1.00  1.00           C
+ATOM   1232  CG  GLU    81       5.446  16.172  -8.534  1.00  1.00           C
+ATOM   1233  CD  GLU    81       5.044  15.870  -7.088  1.00  1.00           C
+ATOM   1234  OE1 GLU    81       3.934  15.324  -6.911  1.00  1.00           O
+ATOM   1235  OE2 GLU    81       5.857  16.190  -6.195  1.00  1.00           O
+ATOM   1238  HB2 GLU    81       5.017  14.121  -9.046  1.00  1.00           H
+ATOM   1239  HB3 GLU    81       5.473  15.116 -10.415  1.00  1.00           H
+ATOM   1240  HG2 GLU    81       6.532  16.211  -8.613  1.00  1.00           H
+ATOM   1241  HG3 GLU    81       5.070  17.154  -8.822  1.00  1.00           H
+ATOM   1242  N   LEU    82       2.807  14.122 -11.774  1.00  1.00           N
+ATOM   1243  CA  LEU    82       2.527  13.926 -13.186  1.00  1.00           C
+ATOM   1244  C   LEU    82       1.215  14.624 -13.543  1.00  1.00           C
+ATOM   1245  O   LEU    82       1.211  15.615 -14.271  1.00  1.00           O
+ATOM   1250  H   LEU    82       2.712  13.304 -11.206  1.00  1.00           H
+ATOM   1251  HA  LEU    82       3.335  14.400 -13.747  1.00  1.00           H
+ATOM   1246  CB  LEU    82       2.549  12.437 -13.535  1.00  1.00           C
+ATOM   1247  CG  LEU    82       2.778  12.097 -15.008  1.00  1.00           C
+ATOM   1248  CD1 LEU    82       3.900  11.068 -15.167  1.00  1.00           C
+ATOM   1249  CD2 LEU    82       1.480  11.633 -15.672  1.00  1.00           C
+ATOM   1252  HB2 LEU    82       3.331  11.956 -12.947  1.00  1.00           H
+ATOM   1253  HB3 LEU    82       1.601  11.998 -13.224  1.00  1.00           H
+ATOM   1254  HG  LEU    82       3.097  13.003 -15.524  1.00  1.00           H
+ATOM   1255 HD11 LEU    82       4.760  11.376 -14.571  1.00  1.00           H
+ATOM   1256 HD12 LEU    82       3.551  10.094 -14.826  1.00  1.00           H
+ATOM   1257 HD13 LEU    82       4.189  11.006 -16.216  1.00  1.00           H
+ATOM   1258 HD21 LEU    82       0.954  10.950 -15.005  1.00  1.00           H
+ATOM   1259 HD22 LEU    82       0.847  12.497 -15.877  1.00  1.00           H
+ATOM   1260 HD23 LEU    82       1.710  11.123 -16.607  1.00  1.00           H
+ATOM   1261  N   VAL    83       0.128  14.079 -13.013  1.00  1.00           N
+ATOM   1262  CA  VAL    83      -1.189  14.635 -13.267  1.00  1.00           C
+ATOM   1263  C   VAL    83      -1.205  16.106 -12.847  1.00  1.00           C
+ATOM   1264  O   VAL    83      -1.843  16.934 -13.495  1.00  1.00           O
+ATOM   1268  H   VAL    83       0.140  13.272 -12.422  1.00  1.00           H
+ATOM   1269  HA  VAL    83      -1.369  14.575 -14.340  1.00  1.00           H
+ATOM   1265  CB  VAL    83      -2.256  13.799 -12.558  1.00  1.00           C
+ATOM   1266  CG1 VAL    83      -3.201  14.689 -11.749  1.00  1.00           C
+ATOM   1267  CG2 VAL    83      -3.033  12.940 -13.559  1.00  1.00           C
+ATOM   1270  HB  VAL    83      -1.750  13.129 -11.864  1.00  1.00           H
+ATOM   1271 HG11 VAL    83      -3.611  15.466 -12.394  1.00  1.00           H
+ATOM   1272 HG12 VAL    83      -4.015  14.084 -11.348  1.00  1.00           H
+ATOM   1273 HG13 VAL    83      -2.652  15.149 -10.927  1.00  1.00           H
+ATOM   1274 HG21 VAL    83      -3.442  13.576 -14.344  1.00  1.00           H
+ATOM   1275 HG22 VAL    83      -2.363  12.202 -14.001  1.00  1.00           H
+ATOM   1276 HG23 VAL    83      -3.847  12.431 -13.044  1.00  1.00           H
+ATOM   1277  N   HIS    84      -0.496  16.387 -11.763  1.00  1.00           N
+ATOM   1278  CA  HIS    84      -0.422  17.744 -11.248  1.00  1.00           C
+ATOM   1279  C   HIS    84      -0.110  18.711 -12.393  1.00  1.00           C
+ATOM   1280  O   HIS    84      -0.828  19.688 -12.598  1.00  1.00           O
+ATOM   1287  H   HIS    84       0.019  15.707 -11.241  1.00  1.00           H
+ATOM   1288  HA  HIS    84      -1.406  17.978 -10.843  1.00  1.00           H
+ATOM   1281  CB  HIS    84       0.588  17.835 -10.103  1.00  1.00           C
+ATOM   1282  CG  HIS    84      -0.031  18.148  -8.762  1.00  1.00           C
+ATOM   1283  ND1 HIS    84      -1.351  17.862  -8.461  1.00  1.00           N
+ATOM   1284  CD2 HIS    84       0.503  18.722  -7.645  1.00  1.00           C
+ATOM   1285  CE1 HIS    84      -1.591  18.253  -7.217  1.00  1.00           C
+ATOM   1286  NE2 HIS    84      -0.440  18.786  -6.714  1.00  1.00           N
+ATOM   1289  HB2 HIS    84       1.128  16.891 -10.032  1.00  1.00           H
+ATOM   1290  HB3 HIS    84       1.323  18.604 -10.341  1.00  1.00           H
+ATOM   1291  HD1 HIS    84      -2.013  17.435  -9.076  1.00  1.00           H
+ATOM   1292  HD2 HIS    84       1.531  19.071  -7.538  1.00  1.00           H
+ATOM   1293  HE1 HIS    84      -2.540  18.163  -6.688  1.00  1.00           H
+ATOM   1294  N   HIS    85       0.961  18.403 -13.110  1.00  1.00           N
+ATOM   1295  CA  HIS    85       1.377  19.231 -14.228  1.00  1.00           C
+ATOM   1296  C   HIS    85       0.412  19.034 -15.399  1.00  1.00           C
+ATOM   1297  O   HIS    85       0.046  19.995 -16.075  1.00  1.00           O
+ATOM   1304  H   HIS    85       1.539  17.606 -12.936  1.00  1.00           H
+ATOM   1305  HA  HIS    85       1.316  20.266 -13.889  1.00  1.00           H
+ATOM   1298  CB  HIS    85       2.832  18.948 -14.603  1.00  1.00           C
+ATOM   1299  CG  HIS    85       3.239  19.502 -15.947  1.00  1.00           C
+ATOM   1300  ND1 HIS    85       3.447  20.852 -16.170  1.00  1.00           N
+ATOM   1301  CD2 HIS    85       3.475  18.876 -17.135  1.00  1.00           C
+ATOM   1302  CE1 HIS    85       3.791  21.019 -17.438  1.00  1.00           C
+ATOM   1303  NE2 HIS    85       3.806  19.793 -18.035  1.00  1.00           N
+ATOM   1306  HB2 HIS    85       3.484  19.367 -13.836  1.00  1.00           H
+ATOM   1307  HB3 HIS    85       2.992  17.870 -14.603  1.00  1.00           H
+ATOM   1308  HD1 HIS    85       3.353  21.579 -15.489  1.00  1.00           H
+ATOM   1309  HD2 HIS    85       3.402  17.804 -17.316  1.00  1.00           H
+ATOM   1310  HE1 HIS    85       4.022  21.970 -17.920  1.00  1.00           H
+ATOM   1311  N   HIS    86       0.028  17.784 -15.603  1.00  1.00           N
+ATOM   1312  CA  HIS    86      -0.887  17.448 -16.681  1.00  1.00           C
+ATOM   1313  C   HIS    86      -2.313  17.832 -16.282  1.00  1.00           C
+ATOM   1314  O   HIS    86      -3.271  17.474 -16.966  1.00  1.00           O
+ATOM   1321  H   HIS    86       0.330  17.007 -15.049  1.00  1.00           H
+ATOM   1322  HA  HIS    86      -0.586  18.043 -17.543  1.00  1.00           H
+ATOM   1315  CB  HIS    86      -0.755  15.972 -17.066  1.00  1.00           C
+ATOM   1316  CG  HIS    86       0.521  15.642 -17.803  1.00  1.00           C
+ATOM   1317  ND1 HIS    86       1.268  16.594 -18.471  1.00  1.00           N
+ATOM   1318  CD2 HIS    86       1.170  14.455 -17.971  1.00  1.00           C
+ATOM   1319  CE1 HIS    86       2.320  15.997 -19.013  1.00  1.00           C
+ATOM   1320  NE2 HIS    86       2.257  14.670 -18.702  1.00  1.00           N
+ATOM   1323  HB2 HIS    86      -0.807  15.366 -16.161  1.00  1.00           H
+ATOM   1324  HB3 HIS    86      -1.605  15.692 -17.687  1.00  1.00           H
+ATOM   1325  HD1 HIS    86       1.053  17.569 -18.534  1.00  1.00           H
+ATOM   1326  HD2 HIS    86       0.852  13.491 -17.571  1.00  1.00           H
+ATOM   1327  HE1 HIS    86       3.098  16.480 -19.603  1.00  1.00           H
+ATOM   1328  N   SER    87      -2.409  18.554 -15.176  1.00  1.00           N
+ATOM   1329  CA  SER    87      -3.702  18.991 -14.677  1.00  1.00           C
+ATOM   1330  C   SER    87      -4.055  20.360 -15.265  1.00  1.00           C
+ATOM   1331  O   SER    87      -5.230  20.699 -15.393  1.00  1.00           O
+ATOM   1334  H   SER    87      -1.625  18.841 -14.625  1.00  1.00           H
+ATOM   1335  HA  SER    87      -4.412  18.236 -15.015  1.00  1.00           H
+ATOM   1332  CB  SER    87      -3.712  19.052 -13.148  1.00  1.00           C
+ATOM   1333  OG  SER    87      -4.744  18.244 -12.589  1.00  1.00           O
+ATOM   1336  HB2 SER    87      -2.746  18.721 -12.767  1.00  1.00           H
+ATOM   1337  HB3 SER    87      -3.845  20.085 -12.827  1.00  1.00           H
+ATOM   1338  HG  SER    87      -5.636  18.558 -12.913  1.00  1.00           H
+ATOM   1339  N   THR    88      -3.016  21.106 -15.606  1.00  1.00           N
+ATOM   1340  CA  THR    88      -3.201  22.430 -16.177  1.00  1.00           C
+ATOM   1341  C   THR    88      -2.441  22.552 -17.499  1.00  1.00           C
+ATOM   1342  O   THR    88      -2.947  23.135 -18.458  1.00  1.00           O
+ATOM   1346  H   THR    88      -2.062  20.822 -15.499  1.00  1.00           H
+ATOM   1347  HA  THR    88      -4.259  22.561 -16.403  1.00  1.00           H
+ATOM   1343  CB  THR    88      -2.770  23.460 -15.132  1.00  1.00           C
+ATOM   1344  OG1 THR    88      -1.417  23.114 -14.841  1.00  1.00           O
+ATOM   1345  CG2 THR    88      -3.495  23.280 -13.797  1.00  1.00           C
+ATOM   1348  HB  THR    88      -2.895  24.475 -15.510  1.00  1.00           H
+ATOM   1349  HG1 THR    88      -1.390  22.356 -14.192  1.00  1.00           H
+ATOM   1350 HG21 THR    88      -4.571  23.336 -13.958  1.00  1.00           H
+ATOM   1351 HG22 THR    88      -3.243  22.307 -13.375  1.00  1.00           H
+ATOM   1352 HG23 THR    88      -3.188  24.067 -13.108  1.00  1.00           H
+ATOM   1353  N   VAL    89      -1.241  21.990 -17.509  1.00  1.00           N
+ATOM   1354  CA  VAL    89      -0.408  22.029 -18.699  1.00  1.00           C
+ATOM   1355  C   VAL    89      -0.114  20.599 -19.158  1.00  1.00           C
+ATOM   1356  O   VAL    89       0.966  20.070 -18.898  1.00  1.00           O
+ATOM   1360  H   VAL    89      -0.838  21.518 -16.726  1.00  1.00           H
+ATOM   1361  HA  VAL    89      -0.971  22.539 -19.481  1.00  1.00           H
+ATOM   1357  CB  VAL    89       0.860  22.841 -18.424  1.00  1.00           C
+ATOM   1358  CG1 VAL    89       1.787  22.841 -19.641  1.00  1.00           C
+ATOM   1359  CG2 VAL    89       0.515  24.268 -17.996  1.00  1.00           C
+ATOM   1362  HB  VAL    89       1.391  22.363 -17.600  1.00  1.00           H
+ATOM   1363 HG11 VAL    89       1.468  22.067 -20.340  1.00  1.00           H
+ATOM   1364 HG12 VAL    89       1.741  23.814 -20.131  1.00  1.00           H
+ATOM   1365 HG13 VAL    89       2.810  22.643 -19.321  1.00  1.00           H
+ATOM   1366 HG21 VAL    89      -0.458  24.543 -18.401  1.00  1.00           H
+ATOM   1367 HG22 VAL    89       0.487  24.325 -16.908  1.00  1.00           H
+ATOM   1368 HG23 VAL    89       1.273  24.954 -18.376  1.00  1.00           H
+ATOM   1369  N   ALA    90      -1.095  20.014 -19.830  1.00  1.00           N
+ATOM   1370  CA  ALA    90      -0.955  18.657 -20.328  1.00  1.00           C
+ATOM   1371  C   ALA    90       0.010  18.649 -21.515  1.00  1.00           C
+ATOM   1372  O   ALA    90      -0.418  18.578 -22.666  1.00  1.00           O
+ATOM   1374  H   ALA    90      -1.969  20.453 -20.037  1.00  1.00           H
+ATOM   1375  HA  ALA    90      -0.535  18.051 -19.524  1.00  1.00           H
+ATOM   1373  CB  ALA    90      -2.334  18.102 -20.693  1.00  1.00           C
+ATOM   1376  HB1 ALA    90      -3.078  18.491 -19.997  1.00  1.00           H
+ATOM   1377  HB2 ALA    90      -2.591  18.408 -21.707  1.00  1.00           H
+ATOM   1378  HB3 ALA    90      -2.315  17.014 -20.634  1.00  1.00           H
+ATOM   1379  N   ASP    91       1.293  18.722 -21.194  1.00  1.00           N
+ATOM   1380  CA  ASP    91       2.323  18.725 -22.220  1.00  1.00           C
+ATOM   1381  C   ASP    91       2.487  17.307 -22.775  1.00  1.00           C
+ATOM   1382  O   ASP    91       3.313  17.074 -23.656  1.00  1.00           O
+ATOM   1387  H   ASP    91       1.633  18.779 -20.255  1.00  1.00           H
+ATOM   1388  HA  ASP    91       1.973  19.429 -22.975  1.00  1.00           H
+ATOM   1383  CB  ASP    91       3.669  19.168 -21.649  1.00  1.00           C
+ATOM   1384  CG  ASP    91       4.278  20.405 -22.312  1.00  1.00           C
+ATOM   1385  OD1 ASP    91       3.653  20.897 -23.276  1.00  1.00           O
+ATOM   1386  OD2 ASP    91       5.355  20.830 -21.840  1.00  1.00           O
+ATOM   1389  HB2 ASP    91       3.546  19.370 -20.584  1.00  1.00           H
+ATOM   1390  HB3 ASP    91       4.375  18.343 -21.736  1.00  1.00           H
+ATOM   1391  N   GLY    92       1.689  16.399 -22.234  1.00  1.00           N
+ATOM   1392  CA  GLY    92       1.737  15.011 -22.661  1.00  1.00           C
+ATOM   1393  C   GLY    92       0.328  14.464 -22.904  1.00  1.00           C
+ATOM   1394  O   GLY    92      -0.009  14.077 -24.022  1.00  1.00           O
+ATOM   1395  H   GLY    92       1.021  16.597 -21.516  1.00  1.00           H
+ATOM   1396  HA2 GLY    92       2.324  14.930 -23.576  1.00  1.00           H
+ATOM   1397  HA3 GLY    92       2.240  14.410 -21.905  1.00  1.00           H
+ATOM   1398  N   LEU    93      -0.455  14.446 -21.835  1.00  1.00           N
+ATOM   1399  CA  LEU    93      -1.820  13.952 -21.917  1.00  1.00           C
+ATOM   1400  C   LEU    93      -2.655  14.911 -22.768  1.00  1.00           C
+ATOM   1401  O   LEU    93      -2.509  16.128 -22.665  1.00  1.00           O
+ATOM   1406  H   LEU    93      -0.175  14.762 -20.929  1.00  1.00           H
+ATOM   1407  HA  LEU    93      -1.787  12.985 -22.417  1.00  1.00           H
+ATOM   1402  CB  LEU    93      -2.390  13.719 -20.518  1.00  1.00           C
+ATOM   1403  CG  LEU    93      -1.366  13.615 -19.385  1.00  1.00           C
+ATOM   1404  CD1 LEU    93      -2.051  13.306 -18.053  1.00  1.00           C
+ATOM   1405  CD2 LEU    93      -0.279  12.591 -19.721  1.00  1.00           C
+ATOM   1408  HB2 LEU    93      -3.077  14.532 -20.286  1.00  1.00           H
+ATOM   1409  HB3 LEU    93      -2.977  12.800 -20.535  1.00  1.00           H
+ATOM   1410  HG  LEU    93      -0.875  14.582 -19.277  1.00  1.00           H
+ATOM   1411 HD11 LEU    93      -2.964  13.895 -17.969  1.00  1.00           H
+ATOM   1412 HD12 LEU    93      -2.297  12.245 -18.007  1.00  1.00           H
+ATOM   1413 HD13 LEU    93      -1.380  13.559 -17.231  1.00  1.00           H
+ATOM   1414 HD21 LEU    93      -0.683  11.842 -20.400  1.00  1.00           H
+ATOM   1415 HD22 LEU    93       0.562  13.098 -20.195  1.00  1.00           H
+ATOM   1416 HD23 LEU    93       0.059  12.107 -18.805  1.00  1.00           H
+ATOM   1417  N   ILE    94      -3.512  14.326 -23.593  1.00  1.00           N
+ATOM   1418  CA  ILE    94      -4.371  15.113 -24.462  1.00  1.00           C
+ATOM   1419  C   ILE    94      -5.114  16.157 -23.626  1.00  1.00           C
+ATOM   1420  O   ILE    94      -4.678  17.302 -23.526  1.00  1.00           O
+ATOM   1425  H   ILE    94      -3.624  13.335 -23.672  1.00  1.00           H
+ATOM   1426  HA  ILE    94      -3.728  15.632 -25.172  1.00  1.00           H
+ATOM   1421  CB  ILE    94      -5.295  14.200 -25.271  1.00  1.00           C
+ATOM   1422  CG1 ILE    94      -6.431  14.999 -25.910  1.00  1.00           C
+ATOM   1423  CG2 ILE    94      -5.816  13.047 -24.411  1.00  1.00           C
+ATOM   1424  CD1 ILE    94      -7.244  14.126 -26.870  1.00  1.00           C
+ATOM   1427  HB  ILE    94      -4.714  13.760 -26.083  1.00  1.00           H
+ATOM   1428 HG12 ILE    94      -7.085  15.396 -25.132  1.00  1.00           H
+ATOM   1429 HG13 ILE    94      -6.022  15.854 -26.450  1.00  1.00           H
+ATOM   1430 HG21 ILE    94      -5.502  13.193 -23.378  1.00  1.00           H
+ATOM   1431 HG22 ILE    94      -6.906  13.023 -24.460  1.00  1.00           H
+ATOM   1432 HG23 ILE    94      -5.416  12.104 -24.784  1.00  1.00           H
+ATOM   1433 HD11 ILE    94      -7.524  13.201 -26.368  1.00  1.00           H
+ATOM   1434 HD12 ILE    94      -8.143  14.661 -27.174  1.00  1.00           H
+ATOM   1435 HD13 ILE    94      -6.642  13.896 -27.749  1.00  1.00           H
+ATOM   1436  N   THR    95      -6.225  15.723 -23.049  1.00  1.00           N
+ATOM   1437  CA  THR    95      -7.034  16.607 -22.226  1.00  1.00           C
+ATOM   1438  C   THR    95      -6.420  16.748 -20.832  1.00  1.00           C
+ATOM   1439  O   THR    95      -5.499  16.013 -20.479  1.00  1.00           O
+ATOM   1443  H   THR    95      -6.573  14.790 -23.136  1.00  1.00           H
+ATOM   1444  HA  THR    95      -7.030  17.598 -22.678  1.00  1.00           H
+ATOM   1440  CB  THR    95      -8.463  16.060 -22.208  1.00  1.00           C
+ATOM   1441  OG1 THR    95      -9.102  16.791 -21.167  1.00  1.00           O
+ATOM   1442  CG2 THR    95      -8.528  14.606 -21.737  1.00  1.00           C
+ATOM   1445  HB  THR    95      -8.935  16.175 -23.184  1.00  1.00           H
+ATOM   1446  HG1 THR    95     -10.059  16.512 -21.088  1.00  1.00           H
+ATOM   1447 HG21 THR    95      -7.557  14.310 -21.337  1.00  1.00           H
+ATOM   1448 HG22 THR    95      -9.287  14.510 -20.960  1.00  1.00           H
+ATOM   1449 HG23 THR    95      -8.785  13.963 -22.578  1.00  1.00           H
+ATOM   1450  N   THR    96      -6.956  17.694 -20.077  1.00  1.00           N
+ATOM   1451  CA  THR    96      -6.473  17.941 -18.729  1.00  1.00           C
+ATOM   1452  C   THR    96      -7.502  17.470 -17.698  1.00  1.00           C
+ATOM   1453  O   THR    96      -8.553  18.085 -17.539  1.00  1.00           O
+ATOM   1457  H   THR    96      -7.706  18.287 -20.370  1.00  1.00           H
+ATOM   1458  HA  THR    96      -5.570  17.349 -18.574  1.00  1.00           H
+ATOM   1454  CB  THR    96      -6.134  19.428 -18.612  1.00  1.00           C
+ATOM   1455  OG1 THR    96      -7.389  20.050 -18.349  1.00  1.00           O
+ATOM   1456  CG2 THR    96      -5.689  20.034 -19.945  1.00  1.00           C
+ATOM   1459  HB  THR    96      -5.385  19.596 -17.838  1.00  1.00           H
+ATOM   1460  HG1 THR    96      -8.037  19.836 -19.080  1.00  1.00           H
+ATOM   1461 HG21 THR    96      -6.326  19.655 -20.745  1.00  1.00           H
+ATOM   1462 HG22 THR    96      -5.774  21.119 -19.897  1.00  1.00           H
+ATOM   1463 HG23 THR    96      -4.654  19.758 -20.143  1.00  1.00           H
+ATOM   1464  N   LEU    97      -7.161  16.380 -17.026  1.00  1.00           N
+ATOM   1465  CA  LEU    97      -8.041  15.817 -16.016  1.00  1.00           C
+ATOM   1466  C   LEU    97      -8.829  16.947 -15.347  1.00  1.00           C
+ATOM   1467  O   LEU    97      -8.297  18.035 -15.130  1.00  1.00           O
+ATOM   1472  H   LEU    97      -6.304  15.884 -17.161  1.00  1.00           H
+ATOM   1473  HA  LEU    97      -8.745  15.160 -16.525  1.00  1.00           H
+ATOM   1468  CB  LEU    97      -7.247  14.955 -15.033  1.00  1.00           C
+ATOM   1469  CG  LEU    97      -6.077  15.644 -14.329  1.00  1.00           C
+ATOM   1470  CD1 LEU    97      -5.910  15.123 -12.900  1.00  1.00           C
+ATOM   1471  CD2 LEU    97      -4.789  15.507 -15.143  1.00  1.00           C
+ATOM   1474  HB2 LEU    97      -7.933  14.582 -14.272  1.00  1.00           H
+ATOM   1475  HB3 LEU    97      -6.863  14.088 -15.569  1.00  1.00           H
+ATOM   1476  HG  LEU    97      -6.300  16.710 -14.258  1.00  1.00           H
+ATOM   1477 HD11 LEU    97      -6.880  14.806 -12.515  1.00  1.00           H
+ATOM   1478 HD12 LEU    97      -5.226  14.275 -12.901  1.00  1.00           H
+ATOM   1479 HD13 LEU    97      -5.510  15.915 -12.269  1.00  1.00           H
+ATOM   1480 HD21 LEU    97      -4.721  14.496 -15.546  1.00  1.00           H
+ATOM   1481 HD22 LEU    97      -4.799  16.224 -15.964  1.00  1.00           H
+ATOM   1482 HD23 LEU    97      -3.931  15.702 -14.501  1.00  1.00           H
+ATOM   1483  N   HIS    98     -10.083  16.649 -15.038  1.00  1.00           N
+ATOM   1484  CA  HIS    98     -10.947  17.625 -14.399  1.00  1.00           C
+ATOM   1485  C   HIS    98     -11.561  17.017 -13.136  1.00  1.00           C
+ATOM   1486  O   HIS    98     -11.474  17.601 -12.057  1.00  1.00           O
+ATOM   1493  H   HIS    98     -10.506  15.761 -15.218  1.00  1.00           H
+ATOM   1494  HA  HIS    98     -10.314  18.467 -14.117  1.00  1.00           H
+ATOM   1487  CB  HIS    98     -12.002  18.142 -15.379  1.00  1.00           C
+ATOM   1488  CG  HIS    98     -11.752  17.745 -16.816  1.00  1.00           C
+ATOM   1489  ND1 HIS    98     -10.659  18.192 -17.537  1.00  1.00           N
+ATOM   1490  CD2 HIS    98     -12.464  16.939 -17.654  1.00  1.00           C
+ATOM   1491  CE1 HIS    98     -10.721  17.671 -18.754  1.00  1.00           C
+ATOM   1492  NE2 HIS    98     -11.840  16.895 -18.825  1.00  1.00           N
+ATOM   1495  HB2 HIS    98     -12.979  17.771 -15.076  1.00  1.00           H
+ATOM   1496  HB3 HIS    98     -12.040  19.229 -15.317  1.00  1.00           H
+ATOM   1497  HD1 HIS    98      -9.944  18.802 -17.199  1.00  1.00           H
+ATOM   1498  HD2 HIS    98     -13.387  16.417 -17.403  1.00  1.00           H
+ATOM   1499  HE1 HIS    98     -10.003  17.834 -19.559  1.00  1.00           H
+ATOM   1500  N   TYR    99     -12.169  15.853 -13.313  1.00  1.00           N
+ATOM   1501  CA  TYR    99     -12.797  15.160 -12.201  1.00  1.00           C
+ATOM   1502  C   TYR    99     -12.123  13.809 -11.947  1.00  1.00           C
+ATOM   1503  O   TYR    99     -12.199  12.907 -12.778  1.00  1.00           O
+ATOM   1512  H   TYR    99     -12.235  15.385 -14.195  1.00  1.00           H
+ATOM   1513  HA  TYR    99     -12.691  15.784 -11.313  1.00  1.00           H
+ATOM   1504  CB  TYR    99     -14.249  14.922 -12.619  1.00  1.00           C
+ATOM   1505  CG  TYR    99     -15.143  16.158 -12.494  1.00  1.00           C
+ATOM   1506  CD1 TYR    99     -15.202  17.073 -13.525  1.00  1.00           C
+ATOM   1507  CD2 TYR    99     -15.890  16.356 -11.352  1.00  1.00           C
+ATOM   1508  CE1 TYR    99     -16.043  18.235 -13.409  1.00  1.00           C
+ATOM   1509  CE2 TYR    99     -16.732  17.519 -11.235  1.00  1.00           C
+ATOM   1510  CZ  TYR    99     -16.766  18.401 -12.269  1.00  1.00           C
+ATOM   1511  OH  TYR    99     -17.561  19.499 -12.158  1.00  1.00           O
+ATOM   1514  HB2 TYR    99     -14.267  14.575 -13.652  1.00  1.00           H
+ATOM   1515  HB3 TYR    99     -14.666  14.121 -12.007  1.00  1.00           H
+ATOM   1516  HD1 TYR    99     -14.611  16.916 -14.427  1.00  1.00           H
+ATOM   1517  HD2 TYR    99     -15.844  15.631 -10.537  1.00  1.00           H
+ATOM   1518  HE1 TYR    99     -16.099  18.966 -14.215  1.00  1.00           H
+ATOM   1519  HE2 TYR    99     -17.328  17.687 -10.338  1.00  1.00           H
+ATOM   1520  HH  TYR    99     -18.338  19.300 -11.559  1.00  1.00           H
+ATOM   1521  N   PRO   100     -11.463  13.712 -10.761  1.00  1.00           N
+ATOM   1522  CA  PRO   100     -10.777  12.486 -10.386  1.00  1.00           C
+ATOM   1523  C   PRO   100     -11.774  11.408  -9.959  1.00  1.00           C
+ATOM   1524  O   PRO   100     -12.127  11.315  -8.785  1.00  1.00           O
+ATOM   1528  HA  PRO   100     -10.286  12.109 -11.171  1.00  1.00           H
+ATOM   1525  CB  PRO   100      -9.827  12.893  -9.271  1.00  1.00           C
+ATOM   1526  CG  PRO   100     -10.345  14.224  -8.747  1.00  1.00           C
+ATOM   1527  CD  PRO   100     -11.352  14.760  -9.751  1.00  1.00           C
+ATOM   1529  HB2 PRO   100      -9.809  12.142  -8.482  1.00  1.00           H
+ATOM   1530  HB3 PRO   100      -8.806  12.991  -9.642  1.00  1.00           H
+ATOM   1531  HG2 PRO   100     -10.812  14.092  -7.771  1.00  1.00           H
+ATOM   1532  HG3 PRO   100      -9.523  14.927  -8.616  1.00  1.00           H
+ATOM   1533  HD2 PRO   100     -12.314  14.959  -9.279  1.00  1.00           H
+ATOM   1534  HD3 PRO   100     -11.012  15.698 -10.190  1.00  1.00           H
+ATOM   1535  N   ALA   101     -12.200  10.621 -10.935  1.00  1.00           N
+ATOM   1536  CA  ALA   101     -13.149   9.552 -10.675  1.00  1.00           C
+ATOM   1537  C   ALA   101     -12.826   8.905  -9.327  1.00  1.00           C
+ATOM   1538  O   ALA   101     -11.939   8.057  -9.239  1.00  1.00           O
+ATOM   1540  H   ALA   101     -11.908  10.704 -11.888  1.00  1.00           H
+ATOM   1541  HA  ALA   101     -14.143   9.997 -10.626  1.00  1.00           H
+ATOM   1539  CB  ALA   101     -13.117   8.547 -11.827  1.00  1.00           C
+ATOM   1542  HB1 ALA   101     -13.344   9.059 -12.763  1.00  1.00           H
+ATOM   1543  HB2 ALA   101     -12.125   8.101 -11.891  1.00  1.00           H
+ATOM   1544  HB3 ALA   101     -13.856   7.767 -11.651  1.00  1.00           H
+ATOM   1545  N   PRO   102     -13.582   9.341  -8.284  1.00  1.00           N
+ATOM   1546  CA  PRO   102     -13.383   8.813  -6.945  1.00  1.00           C
+ATOM   1547  C   PRO   102     -13.963   7.403  -6.820  1.00  1.00           C
+ATOM   1548  O   PRO   102     -14.682   6.943  -7.705  1.00  1.00           O
+ATOM   1552  HA  PRO   102     -12.407   8.726  -6.747  1.00  1.00           H
+ATOM   1549  CB  PRO   102     -14.058   9.816  -6.023  1.00  1.00           C
+ATOM   1550  CG  PRO   102     -15.004  10.619  -6.901  1.00  1.00           C
+ATOM   1551  CD  PRO   102     -14.640  10.345  -8.351  1.00  1.00           C
+ATOM   1553  HB2 PRO   102     -14.601   9.311  -5.225  1.00  1.00           H
+ATOM   1554  HB3 PRO   102     -13.322  10.465  -5.546  1.00  1.00           H
+ATOM   1555  HG2 PRO   102     -16.037  10.335  -6.706  1.00  1.00           H
+ATOM   1556  HG3 PRO   102     -14.919  11.684  -6.681  1.00  1.00           H
+ATOM   1557  HD2 PRO   102     -15.498   9.977  -8.911  1.00  1.00           H
+ATOM   1558  HD3 PRO   102     -14.296  11.251  -8.852  1.00  1.00           H
+ATOM   1559  N   LYS   103     -13.629   6.756  -5.712  1.00  1.00           N
+ATOM   1560  CA  LYS   103     -14.108   5.408  -5.461  1.00  1.00           C
+ATOM   1561  C   LYS   103     -15.538   5.471  -4.921  1.00  1.00           C
+ATOM   1562  O   LYS   103     -15.748   5.467  -3.708  1.00  1.00           O
+ATOM   1568  H   LYS   103     -13.044   7.138  -4.997  1.00  1.00           H
+ATOM   1569  HA  LYS   103     -14.122   4.883  -6.415  1.00  1.00           H
+ATOM   1563  CB  LYS   103     -13.137   4.658  -4.546  1.00  1.00           C
+ATOM   1564  CG  LYS   103     -11.710   5.184  -4.709  1.00  1.00           C
+ATOM   1565  CD  LYS   103     -11.367   5.387  -6.186  1.00  1.00           C
+ATOM   1566  CE  LYS   103     -10.578   6.682  -6.393  1.00  1.00           C
+ATOM   1567  NZ  LYS   103     -10.310   6.902  -7.832  1.00  1.00           N
+ATOM   1570  HB2 LYS   103     -13.453   4.766  -3.508  1.00  1.00           H
+ATOM   1571  HB3 LYS   103     -13.165   3.593  -4.776  1.00  1.00           H
+ATOM   1572  HG2 LYS   103     -11.604   6.128  -4.175  1.00  1.00           H
+ATOM   1573  HG3 LYS   103     -11.007   4.483  -4.262  1.00  1.00           H
+ATOM   1574  HD2 LYS   103     -10.785   4.540  -6.547  1.00  1.00           H
+ATOM   1575  HD3 LYS   103     -12.284   5.418  -6.776  1.00  1.00           H
+ATOM   1576  HE2 LYS   103     -11.138   7.525  -5.988  1.00  1.00           H
+ATOM   1577  HE3 LYS   103      -9.637   6.633  -5.845  1.00  1.00           H
+ATOM   1578  HZ1 LYS   103      -9.855   6.096  -8.213  1.00  1.00           H
+ATOM   1579  HZ2 LYS   103     -11.173   7.056  -8.312  1.00  1.00           H
+ATOM   1580  HZ3 LYS   103      -9.719   7.701  -7.942  1.00  1.00           H
+ATOM   1581  N   ARG   104     -16.484   5.529  -5.847  1.00  1.00           N
+ATOM   1582  CA  ARG   104     -17.888   5.594  -5.479  1.00  1.00           C
+ATOM   1583  C   ARG   104     -18.396   4.206  -5.082  1.00  1.00           C
+ATOM   1584  O   ARG   104     -18.069   3.212  -5.727  1.00  1.00           O
+ATOM   1592  H   ARG   104     -16.304   5.532  -6.831  1.00  1.00           H
+ATOM   1593  HA  ARG   104     -17.924   6.282  -4.635  1.00  1.00           H
+ATOM   1585  CB  ARG   104     -18.737   6.128  -6.634  1.00  1.00           C
+ATOM   1586  CG  ARG   104     -19.352   7.483  -6.282  1.00  1.00           C
+ATOM   1587  CD  ARG   104     -18.578   8.625  -6.942  1.00  1.00           C
+ATOM   1588  NE  ARG   104     -19.483   9.771  -7.192  1.00  1.00           N
+ATOM   1589  CZ  ARG   104     -19.299  10.676  -8.163  1.00  1.00           C
+ATOM   1590  NH1 ARG   104     -18.242  10.574  -8.981  1.00  1.00           N
+ATOM   1591  NH2 ARG   104     -20.169  11.682  -8.316  1.00  1.00           N
+ATOM   1594  HB2 ARG   104     -18.119   6.226  -7.528  1.00  1.00           H
+ATOM   1595  HB3 ARG   104     -19.526   5.415  -6.870  1.00  1.00           H
+ATOM   1596  HG2 ARG   104     -20.393   7.508  -6.605  1.00  1.00           H
+ATOM   1597  HG3 ARG   104     -19.352   7.616  -5.200  1.00  1.00           H
+ATOM   1598  HD2 ARG   104     -17.754   8.936  -6.302  1.00  1.00           H
+ATOM   1599  HD3 ARG   104     -18.142   8.286  -7.882  1.00  1.00           H
+ATOM   1600  HE  ARG   104     -20.281   9.877  -6.598  1.00  1.00           H
+ATOM   1601 HH11 ARG   104     -17.593   9.823  -8.868  1.00  1.00           H
+ATOM   1602 HH12 ARG   104     -18.105  11.250  -9.707  1.00  1.00           H
+ATOM   1603 HH21 ARG   104     -20.958  11.758  -7.706  1.00  1.00           H
+ATOM   1604 HH22 ARG   104     -20.032  12.356  -9.041  1.00  1.00           H
+ATOM   1605  N   GLY   105     -19.188   4.184  -4.018  1.00  1.00           N
+ATOM   1606  CA  GLY   105     -19.746   2.936  -3.527  1.00  1.00           C
+ATOM   1607  C   GLY   105     -21.062   2.607  -4.233  1.00  1.00           C
+ATOM   1608  O   GLY   105     -21.253   2.962  -5.395  1.00  1.00           O
+ATOM   1609  H   GLY   105     -19.449   4.997  -3.499  1.00  1.00           H
+ATOM   1610  HA2 GLY   105     -19.031   2.126  -3.687  1.00  1.00           H
+ATOM   1611  HA3 GLY   105     -19.912   3.005  -2.453  1.00  1.00           H
+ATOM   1612  N   ILE   106     -21.936   1.932  -3.501  1.00  1.00           N
+ATOM   1613  CA  ILE   106     -23.230   1.551  -4.043  1.00  1.00           C
+ATOM   1614  C   ILE   106     -24.318   1.841  -3.007  1.00  1.00           C
+ATOM   1615  O   ILE   106     -25.162   2.712  -3.213  1.00  1.00           O
+ATOM   1620  H   ILE   106     -21.774   1.646  -2.557  1.00  1.00           H
+ATOM   1621  HA  ILE   106     -23.413   2.174  -4.919  1.00  1.00           H
+ATOM   1616  CB  ILE   106     -23.206   0.098  -4.518  1.00  1.00           C
+ATOM   1617  CG1 ILE   106     -24.601  -0.366  -4.940  1.00  1.00           C
+ATOM   1618  CG2 ILE   106     -22.597  -0.817  -3.453  1.00  1.00           C
+ATOM   1619  CD1 ILE   106     -24.965   0.178  -6.323  1.00  1.00           C
+ATOM   1622  HB  ILE   106     -22.566   0.036  -5.398  1.00  1.00           H
+ATOM   1623 HG12 ILE   106     -24.638  -1.455  -4.952  1.00  1.00           H
+ATOM   1624 HG13 ILE   106     -25.336  -0.030  -4.209  1.00  1.00           H
+ATOM   1625 HG21 ILE   106     -21.901  -0.246  -2.839  1.00  1.00           H
+ATOM   1626 HG22 ILE   106     -23.390  -1.221  -2.823  1.00  1.00           H
+ATOM   1627 HG23 ILE   106     -22.065  -1.636  -3.937  1.00  1.00           H
+ATOM   1628 HD11 ILE   106     -24.392   1.084  -6.518  1.00  1.00           H
+ATOM   1629 HD12 ILE   106     -24.730  -0.570  -7.081  1.00  1.00           H
+ATOM   1630 HD13 ILE   106     -26.029   0.406  -6.357  1.00  1.00           H
+ATOM   1631  N   HIS   107     -24.262   1.096  -1.913  1.00  1.00           N
+ATOM   1632  CA  HIS   107     -25.233   1.262  -0.844  1.00  1.00           C
+ATOM   1633  C   HIS   107     -25.230   0.018   0.048  1.00  1.00           C
+ATOM   1634  O   HIS   107     -25.371   0.124   1.267  1.00  1.00           O
+ATOM   1641  H   HIS   107     -23.573   0.388  -1.753  1.00  1.00           H
+ATOM   1642  HA  HIS   107     -24.907   2.120  -0.258  1.00  1.00           H
+ATOM   1635  CB  HIS   107     -26.617   1.581  -1.412  1.00  1.00           C
+ATOM   1636  CG  HIS   107     -26.991   0.756  -2.619  1.00  1.00           C
+ATOM   1637  ND1 HIS   107     -27.039  -0.627  -2.598  1.00  1.00           N
+ATOM   1638  CD2 HIS   107     -27.336   1.133  -3.885  1.00  1.00           C
+ATOM   1639  CE1 HIS   107     -27.396  -1.052  -3.800  1.00  1.00           C
+ATOM   1640  NE2 HIS   107     -27.580   0.041  -4.597  1.00  1.00           N
+ATOM   1643  HB2 HIS   107     -27.363   1.425  -0.632  1.00  1.00           H
+ATOM   1644  HB3 HIS   107     -26.653   2.637  -1.680  1.00  1.00           H
+ATOM   1645  HD1 HIS   107     -26.838  -1.206  -1.807  1.00  1.00           H
+ATOM   1646  HD2 HIS   107     -27.399   2.159  -4.248  1.00  1.00           H
+ATOM   1647  HE1 HIS   107     -27.523  -2.092  -4.101  1.00  1.00           H
+ATOM   1648  N   ARG   108     -25.070  -1.130  -0.592  1.00  1.00           N
+ATOM   1649  CA  ARG   108     -25.047  -2.392   0.129  1.00  1.00           C
+ATOM   1650  C   ARG   108     -24.295  -2.234   1.453  1.00  1.00           C
+ATOM   1651  O   ARG   108     -23.094  -1.967   1.460  1.00  1.00           O
+ATOM   1659  H   ARG   108     -24.955  -1.207  -1.582  1.00  1.00           H
+ATOM   1660  HA  ARG   108     -26.095  -2.633   0.302  1.00  1.00           H
+ATOM   1652  CB  ARG   108     -24.378  -3.488  -0.701  1.00  1.00           C
+ATOM   1653  CG  ARG   108     -25.424  -4.396  -1.354  1.00  1.00           C
+ATOM   1654  CD  ARG   108     -26.005  -3.745  -2.610  1.00  1.00           C
+ATOM   1655  NE  ARG   108     -27.484  -3.815  -2.579  1.00  1.00           N
+ATOM   1656  CZ  ARG   108     -28.220  -4.558  -3.418  1.00  1.00           C
+ATOM   1657  NH1 ARG   108     -27.619  -5.299  -4.359  1.00  1.00           N
+ATOM   1658  NH2 ARG   108     -29.555  -4.559  -3.315  1.00  1.00           N
+ATOM   1661  HB2 ARG   108     -23.753  -3.037  -1.471  1.00  1.00           H
+ATOM   1662  HB3 ARG   108     -23.722  -4.083  -0.065  1.00  1.00           H
+ATOM   1663  HG2 ARG   108     -24.971  -5.352  -1.611  1.00  1.00           H
+ATOM   1664  HG3 ARG   108     -26.225  -4.604  -0.643  1.00  1.00           H
+ATOM   1665  HD2 ARG   108     -25.683  -2.707  -2.675  1.00  1.00           H
+ATOM   1666  HD3 ARG   108     -25.629  -4.253  -3.499  1.00  1.00           H
+ATOM   1667  HE  ARG   108     -27.964  -3.274  -1.888  1.00  1.00           H
+ATOM   1668 HH11 ARG   108     -26.622  -5.298  -4.435  1.00  1.00           H
+ATOM   1669 HH12 ARG   108     -28.167  -5.853  -4.985  1.00  1.00           H
+ATOM   1670 HH21 ARG   108     -30.004  -4.007  -2.613  1.00  1.00           H
+ATOM   1671 HH22 ARG   108     -30.105  -5.114  -3.940  1.00  1.00           H
+ATOM   1672  N   ASP   109     -25.032  -2.405   2.540  1.00  1.00           N
+ATOM   1673  CA  ASP   109     -24.449  -2.284   3.866  1.00  1.00           C
+ATOM   1674  C   ASP   109     -25.535  -2.515   4.917  1.00  1.00           C
+ATOM   1675  O   ASP   109     -25.194  -3.106   5.965  1.00  1.00           O
+ATOM   1681  H   ASP   109     -26.007  -2.620   2.525  1.00  1.00           H
+ATOM   1682  HA  ASP   109     -23.664  -3.040   3.903  1.00  1.00           H
+ATOM   1676  CB  ASP   109     -23.866  -0.887   4.086  1.00  1.00           C
+ATOM   1677  CG  ASP   109     -24.880   0.178   4.508  1.00  1.00           C
+ATOM   1678  OD1 ASP   109     -25.504   0.837   3.662  1.00  1.00           O
+ATOM   1679  OD2 ASP   109     -25.022   0.322   5.784  1.00  1.00           O
+ATOM   1683  HB2 ASP   109     -23.090  -0.950   4.848  1.00  1.00           H
+ATOM   1684  HB3 ASP   109     -23.383  -0.561   3.165  1.00  1.00           H
+ATOM   1680  OXT ASP   109     -26.687  -2.128   4.722  1.00  1.00           O
+TER
+END
diff --git a/documentation.Doxyfile b/documentation.Doxyfile
new file mode 100644
index 0000000..589cb5c
--- /dev/null
+++ b/documentation.Doxyfile
@@ -0,0 +1,2303 @@
+# Doxyfile 1.8.6
+
+# This file describes the settings to be used by the documentation system
+# doxygen (www.doxygen.org) for a project.
+#
+# All text after a double hash (##) is considered a comment and is placed in
+# front of the TAG it is preceding.
+#
+# All text after a single hash (#) is considered a comment and will be ignored.
+# The format is:
+# TAG = value [value, ...]
+# For lists, items can also be appended using:
+# TAG += value [value, ...]
+# Values that contain spaces should be placed between quotes (\" \").
+
+#---------------------------------------------------------------------------
+# Project related configuration options
+#---------------------------------------------------------------------------
+
+# This tag specifies the encoding used for all characters in the config file
+# that follow. The default is UTF-8 which is also the encoding used for all text
+# before the first occurrence of this tag. Doxygen uses libiconv (or the iconv
+# built into libc) for the transcoding. See http://www.gnu.org/software/libiconv
+# for the list of possible encodings.
+# The default value is: UTF-8.
+
+DOXYFILE_ENCODING = UTF-8
+
+# The PROJECT_NAME tag is a single word (or a sequence of words surrounded by
+# double-quotes, unless you are using Doxywizard) that should identify the
+# project for which the documentation is generated. This name is used in the
+# title of most generated pages and in a few other places.
+# The default value is: My Project.
+
+PROJECT_NAME = documentation Mobi
+
+# The PROJECT_NUMBER tag can be used to enter a project or revision number. This
+# could be handy for archiving the generated documentation or if some version
+# control system is used.
+
+PROJECT_NUMBER = 
+
+# Using the PROJECT_BRIEF tag one can provide an optional one line description
+# for a project that appears at the top of each page and should give viewer a
+# quick idea about the purpose of the project. Keep the description short.
+
+PROJECT_BRIEF = 
+
+# With the PROJECT_LOGO tag one can specify an logo or icon that is included in
+# the documentation. The maximum height of the logo should not exceed 55 pixels
+# and the maximum width should not exceed 200 pixels. Doxygen will copy the logo
+# to the output directory.
+
+PROJECT_LOGO = 
+
+# The OUTPUT_DIRECTORY tag is used to specify the (relative or absolute) path
+# into which the generated documentation will be written. If a relative path is
+# entered, it will be relative to the location where doxygen was started. If
+# left blank the current directory will be used.
+
+OUTPUT_DIRECTORY = 
+
+# If the CREATE_SUBDIRS tag is set to YES, then doxygen will create 4096 sub-
+# directories (in 2 levels) under the output directory of each output format and
+# will distribute the generated files over these directories. Enabling this
+# option can be useful when feeding doxygen a huge amount of source files, where
+# putting all generated files in the same directory would otherwise causes
+# performance problems for the file system.
+# The default value is: NO.
+
+CREATE_SUBDIRS = NO
+
+# The OUTPUT_LANGUAGE tag is used to specify the language in which all
+# documentation generated by doxygen is written. Doxygen will use this
+# information to generate all constant output in the proper language.
+# Possible values are: Afrikaans, Arabic, Armenian, Brazilian, Catalan, Chinese,
+# Chinese-Traditional, Croatian, Czech, Danish, Dutch, English (United States),
+# Esperanto, Farsi (Persian), Finnish, French, German, Greek, Hungarian,
+# Indonesian, Italian, Japanese, Japanese-en (Japanese with English messages),
+# Korean, Korean-en (Korean with English messages), Latvian, Lithuanian,
+# Macedonian, Norwegian, Persian (Farsi), Polish, Portuguese, Romanian, Russian,
+# Serbian, Serbian-Cyrillic, Slovak, Slovene, Spanish, Swedish, Turkish,
+# Ukrainian and Vietnamese.
+# The default value is: English.
+
+OUTPUT_LANGUAGE = English
+
+# If the BRIEF_MEMBER_DESC tag is set to YES doxygen will include brief member
+# descriptions after the members that are listed in the file and class
+# documentation (similar to Javadoc). Set to NO to disable this.
+# The default value is: YES.
+
+BRIEF_MEMBER_DESC = YES
+
+# If the REPEAT_BRIEF tag is set to YES doxygen will prepend the brief
+# description of a member or function before the detailed description
+#
+# Note: If both HIDE_UNDOC_MEMBERS and BRIEF_MEMBER_DESC are set to NO, the
+# brief descriptions will be completely suppressed.
+# The default value is: YES.
+
+REPEAT_BRIEF = YES
+
+# This tag implements a quasi-intelligent brief description abbreviator that is
+# used to form the text in various listings. Each string in this list, if found
+# as the leading text of the brief description, will be stripped from the text
+# and the result, after processing the whole list, is used as the annotated
+# text. Otherwise, the brief description is used as-is. If left blank, the
+# following values are used ($name is automatically replaced with the name of
+# the entity):The $name class, The $name widget, The $name file, is, provides,
+# specifies, contains, represents, a, an and the.
+
+ABBREVIATE_BRIEF = 
+
+# If the ALWAYS_DETAILED_SEC and REPEAT_BRIEF tags are both set to YES then
+# doxygen will generate a detailed section even if there is only a brief
+# description.
+# The default value is: NO.
+
+ALWAYS_DETAILED_SEC = NO
+
+# If the INLINE_INHERITED_MEMB tag is set to YES, doxygen will show all
+# inherited members of a class in the documentation of that class as if those
+# members were ordinary class members. Constructors, destructors and assignment
+# operators of the base classes will not be shown.
+# The default value is: NO.
+
+INLINE_INHERITED_MEMB = NO
+
+# If the FULL_PATH_NAMES tag is set to YES doxygen will prepend the full path
+# before files name in the file list and in the header files. If set to NO the
+# shortest path that makes the file name unique will be used
+# The default value is: YES.
+
+FULL_PATH_NAMES = YES
+
+# The STRIP_FROM_PATH tag can be used to strip a user-defined part of the path.
+# Stripping is only done if one of the specified strings matches the left-hand
+# part of the path. The tag can be used to show relative paths in the file list.
+# If left blank the directory from which doxygen is run is used as the path to
+# strip.
+#
+# Note that you can specify absolute paths here, but also relative paths, which
+# will be relative from the directory where doxygen is started.
+# This tag requires that the tag FULL_PATH_NAMES is set to YES.
+
+STRIP_FROM_PATH = 
+
+# The STRIP_FROM_INC_PATH tag can be used to strip a user-defined part of the
+# path mentioned in the documentation of a class, which tells the reader which
+# header file to include in order to use a class. If left blank only the name of
+# the header file containing the class definition is used. Otherwise one should
+# specify the list of include paths that are normally passed to the compiler
+# using the -I flag.
+
+STRIP_FROM_INC_PATH = 
+
+# If the SHORT_NAMES tag is set to YES, doxygen will generate much shorter (but
+# less readable) file names. This can be useful is your file systems doesn't
+# support long names like on DOS, Mac, or CD-ROM.
+# The default value is: NO.
+
+SHORT_NAMES = NO
+
+# If the JAVADOC_AUTOBRIEF tag is set to YES then doxygen will interpret the
+# first line (until the first dot) of a Javadoc-style comment as the brief
+# description. If set to NO, the Javadoc-style will behave just like regular Qt-
+# style comments (thus requiring an explicit @brief command for a brief
+# description.)
+# The default value is: NO.
+
+JAVADOC_AUTOBRIEF = NO
+
+# If the QT_AUTOBRIEF tag is set to YES then doxygen will interpret the first
+# line (until the first dot) of a Qt-style comment as the brief description. If
+# set to NO, the Qt-style will behave just like regular Qt-style comments (thus
+# requiring an explicit \brief command for a brief description.)
+# The default value is: NO.
+
+QT_AUTOBRIEF = NO
+
+# The MULTILINE_CPP_IS_BRIEF tag can be set to YES to make doxygen treat a
+# multi-line C++ special comment block (i.e. a block of //! or /// comments) as
+# a brief description. This used to be the default behavior. The new default is
+# to treat a multi-line C++ comment block as a detailed description. Set this
+# tag to YES if you prefer the old behavior instead.
+#
+# Note that setting this tag to YES also means that rational rose comments are
+# not recognized any more.
+# The default value is: NO.
+
+MULTILINE_CPP_IS_BRIEF = NO
+
+# If the INHERIT_DOCS tag is set to YES then an undocumented member inherits the
+# documentation from any documented member that it re-implements.
+# The default value is: YES.
+
+INHERIT_DOCS = YES
+
+# If the SEPARATE_MEMBER_PAGES tag is set to YES, then doxygen will produce a
+# new page for each member. If set to NO, the documentation of a member will be
+# part of the file/class/namespace that contains it.
+# The default value is: NO.
+
+SEPARATE_MEMBER_PAGES = NO
+
+# The TAB_SIZE tag can be used to set the number of spaces in a tab. Doxygen
+# uses this value to replace tabs by spaces in code fragments.
+# Minimum value: 1, maximum value: 16, default value: 4.
+
+TAB_SIZE = 4
+
+# This tag can be used to specify a number of aliases that act as commands in
+# the documentation. An alias has the form:
+# name=value
+# For example adding
+# "sideeffect=@par Side Effects:\n"
+# will allow you to put the command \sideeffect (or @sideeffect) in the
+# documentation, which will result in a user-defined paragraph with heading
+# "Side Effects:". You can put \n's in the value part of an alias to insert
+# newlines.
+
+ALIASES = 
+
+# This tag can be used to specify a number of word-keyword mappings (TCL only).
+# A mapping has the form "name=value". For example adding "class=itcl::class"
+# will allow you to use the command class in the itcl::class meaning.
+
+TCL_SUBST = 
+
+# Set the OPTIMIZE_OUTPUT_FOR_C tag to YES if your project consists of C sources
+# only. Doxygen will then generate output that is more tailored for C. For
+# instance, some of the names that are used will be different. The list of all
+# members will be omitted, etc.
+# The default value is: NO.
+
+OPTIMIZE_OUTPUT_FOR_C = NO
+
+# Set the OPTIMIZE_OUTPUT_JAVA tag to YES if your project consists of Java or
+# Python sources only. Doxygen will then generate output that is more tailored
+# for that language. For instance, namespaces will be presented as packages,
+# qualified scopes will look different, etc.
+# The default value is: NO.
+
+OPTIMIZE_OUTPUT_JAVA = NO
+
+# Set the OPTIMIZE_FOR_FORTRAN tag to YES if your project consists of Fortran
+# sources. Doxygen will then generate output that is tailored for Fortran.
+# The default value is: NO.
+
+OPTIMIZE_FOR_FORTRAN = NO
+
+# Set the OPTIMIZE_OUTPUT_VHDL tag to YES if your project consists of VHDL
+# sources. Doxygen will then generate output that is tailored for VHDL.
+# The default value is: NO.
+
+OPTIMIZE_OUTPUT_VHDL = NO
+
+# Doxygen selects the parser to use depending on the extension of the files it
+# parses. With this tag you can assign which parser to use for a given
+# extension. Doxygen has a built-in mapping, but you can override or extend it
+# using this tag. The format is ext=language, where ext is a file extension, and
+# language is one of the parsers supported by doxygen: IDL, Java, Javascript,
+# C#, C, C++, D, PHP, Objective-C, Python, Fortran, VHDL. For instance to make
+# doxygen treat .inc files as Fortran files (default is PHP), and .f files as C
+# (default is Fortran), use: inc=Fortran f=C.
+#
+# Note For files without extension you can use no_extension as a placeholder.
+#
+# Note that for custom extensions you also need to set FILE_PATTERNS otherwise
+# the files are not read by doxygen.
+
+EXTENSION_MAPPING = 
+
+# If the MARKDOWN_SUPPORT tag is enabled then doxygen pre-processes all comments
+# according to the Markdown format, which allows for more readable
+# documentation. See http://daringfireball.net/projects/markdown/ for details.
+# The output of markdown processing is further processed by doxygen, so you can
+# mix doxygen, HTML, and XML commands with Markdown formatting. Disable only in
+# case of backward compatibilities issues.
+# The default value is: YES.
+
+MARKDOWN_SUPPORT = YES
+
+# When enabled doxygen tries to link words that correspond to documented
+# classes, or namespaces to their corresponding documentation. Such a link can
+# be prevented in individual cases by by putting a % sign in front of the word
+# or globally by setting AUTOLINK_SUPPORT to NO.
+# The default value is: YES.
+
+AUTOLINK_SUPPORT = YES
+
+# If you use STL classes (i.e. std::string, std::vector, etc.) but do not want
+# to include (a tag file for) the STL sources as input, then you should set this
+# tag to YES in order to let doxygen match functions declarations and
+# definitions whose arguments contain STL classes (e.g. func(std::string);
+# versus func(std::string) {}). This also make the inheritance and collaboration
+# diagrams that involve STL classes more complete and accurate.
+# The default value is: NO.
+
+BUILTIN_STL_SUPPORT = NO
+
+# If you use Microsoft's C++/CLI language, you should set this option to YES to
+# enable parsing support.
+# The default value is: NO.
+
+CPP_CLI_SUPPORT = NO
+
+# Set the SIP_SUPPORT tag to YES if your project consists of sip (see:
+# http://www.riverbankcomputing.co.uk/software/sip/intro) sources only. Doxygen
+# will parse them like normal C++ but will assume all classes use public instead
+# of private inheritance when no explicit protection keyword is present.
+# The default value is: NO.
+
+SIP_SUPPORT = NO
+
+# For Microsoft's IDL there are propget and propput attributes to indicate
+# getter and setter methods for a property. Setting this option to YES will make
+# doxygen to replace the get and set methods by a property in the documentation.
+# This will only work if the methods are indeed getting or setting a simple
+# type. If this is not the case, or you want to show the methods anyway, you
+# should set this option to NO.
+# The default value is: YES.
+
+IDL_PROPERTY_SUPPORT = YES
+
+# If member grouping is used in the documentation and the DISTRIBUTE_GROUP_DOC
+# tag is set to YES, then doxygen will reuse the documentation of the first
+# member in the group (if any) for the other members of the group. By default
+# all members of a group must be documented explicitly.
+# The default value is: NO.
+
+DISTRIBUTE_GROUP_DOC = NO
+
+# Set the SUBGROUPING tag to YES to allow class member groups of the same type
+# (for instance a group of public functions) to be put as a subgroup of that
+# type (e.g. under the Public Functions section). Set it to NO to prevent
+# subgrouping. Alternatively, this can be done per class using the
+# \nosubgrouping command.
+# The default value is: YES.
+
+SUBGROUPING = YES
+
+# When the INLINE_GROUPED_CLASSES tag is set to YES, classes, structs and unions
+# are shown inside the group in which they are included (e.g. using \ingroup)
+# instead of on a separate page (for HTML and Man pages) or section (for LaTeX
+# and RTF).
+#
+# Note that this feature does not work in combination with
+# SEPARATE_MEMBER_PAGES.
+# The default value is: NO.
+
+INLINE_GROUPED_CLASSES = NO
+
+# When the INLINE_SIMPLE_STRUCTS tag is set to YES, structs, classes, and unions
+# with only public data fields or simple typedef fields will be shown inline in
+# the documentation of the scope in which they are defined (i.e. file,
+# namespace, or group documentation), provided this scope is documented. If set
+# to NO, structs, classes, and unions are shown on a separate page (for HTML and
+# Man pages) or section (for LaTeX and RTF).
+# The default value is: NO.
+
+INLINE_SIMPLE_STRUCTS = NO
+
+# When TYPEDEF_HIDES_STRUCT tag is enabled, a typedef of a struct, union, or
+# enum is documented as struct, union, or enum with the name of the typedef. So
+# typedef struct TypeS {} TypeT, will appear in the documentation as a struct
+# with name TypeT. When disabled the typedef will appear as a member of a file,
+# namespace, or class. And the struct will be named TypeS. This can typically be
+# useful for C code in case the coding convention dictates that all compound
+# types are typedef'ed and only the typedef is referenced, never the tag name.
+# The default value is: NO.
+
+TYPEDEF_HIDES_STRUCT = NO
+
+# The size of the symbol lookup cache can be set using LOOKUP_CACHE_SIZE. This
+# cache is used to resolve symbols given their name and scope. Since this can be
+# an expensive process and often the same symbol appears multiple times in the
+# code, doxygen keeps a cache of pre-resolved symbols. If the cache is too small
+# doxygen will become slower. If the cache is too large, memory is wasted. The
+# cache size is given by this formula: 2^(16+LOOKUP_CACHE_SIZE). The valid range
+# is 0..9, the default is 0, corresponding to a cache size of 2^16=65536
+# symbols. At the end of a run doxygen will report the cache usage and suggest
+# the optimal cache size from a speed point of view.
+# Minimum value: 0, maximum value: 9, default value: 0.
+
+LOOKUP_CACHE_SIZE = 0
+
+#---------------------------------------------------------------------------
+# Build related configuration options
+#---------------------------------------------------------------------------
+
+# If the EXTRACT_ALL tag is set to YES doxygen will assume all entities in
+# documentation are documented, even if no documentation was available. Private
+# class members and static file members will be hidden unless the
+# EXTRACT_PRIVATE respectively EXTRACT_STATIC tags are set to YES.
+# Note: This will also disable the warnings about undocumented members that are
+# normally produced when WARNINGS is set to YES.
+# The default value is: NO.
+
+EXTRACT_ALL = NO
+
+# If the EXTRACT_PRIVATE tag is set to YES all private members of a class will
+# be included in the documentation.
+# The default value is: NO.
+
+EXTRACT_PRIVATE = NO
+
+# If the EXTRACT_PACKAGE tag is set to YES all members with package or internal
+# scope will be included in the documentation.
+# The default value is: NO.
+
+EXTRACT_PACKAGE = NO
+
+# If the EXTRACT_STATIC tag is set to YES all static members of a file will be
+# included in the documentation.
+# The default value is: NO.
+
+EXTRACT_STATIC = NO
+
+# If the EXTRACT_LOCAL_CLASSES tag is set to YES classes (and structs) defined
+# locally in source files will be included in the documentation. If set to NO
+# only classes defined in header files are included. Does not have any effect
+# for Java sources.
+# The default value is: YES.
+
+EXTRACT_LOCAL_CLASSES = YES
+
+# This flag is only useful for Objective-C code. When set to YES local methods,
+# which are defined in the implementation section but not in the interface are
+# included in the documentation. If set to NO only methods in the interface are
+# included.
+# The default value is: NO.
+
+EXTRACT_LOCAL_METHODS = NO
+
+# If this flag is set to YES, the members of anonymous namespaces will be
+# extracted and appear in the documentation as a namespace called
+# 'anonymous_namespace{file}', where file will be replaced with the base name of
+# the file that contains the anonymous namespace. By default anonymous namespace
+# are hidden.
+# The default value is: NO.
+
+EXTRACT_ANON_NSPACES = NO
+
+# If the HIDE_UNDOC_MEMBERS tag is set to YES, doxygen will hide all
+# undocumented members inside documented classes or files. If set to NO these
+# members will be included in the various overviews, but no documentation
+# section is generated. This option has no effect if EXTRACT_ALL is enabled.
+# The default value is: NO.
+
+HIDE_UNDOC_MEMBERS = NO
+
+# If the HIDE_UNDOC_CLASSES tag is set to YES, doxygen will hide all
+# undocumented classes that are normally visible in the class hierarchy. If set
+# to NO these classes will be included in the various overviews. This option has
+# no effect if EXTRACT_ALL is enabled.
+# The default value is: NO.
+
+HIDE_UNDOC_CLASSES = NO
+
+# If the HIDE_FRIEND_COMPOUNDS tag is set to YES, doxygen will hide all friend
+# (class|struct|union) declarations. If set to NO these declarations will be
+# included in the documentation.
+# The default value is: NO.
+
+HIDE_FRIEND_COMPOUNDS = NO
+
+# If the HIDE_IN_BODY_DOCS tag is set to YES, doxygen will hide any
+# documentation blocks found inside the body of a function. If set to NO these
+# blocks will be appended to the function's detailed documentation block.
+# The default value is: NO.
+
+HIDE_IN_BODY_DOCS = NO
+
+# The INTERNAL_DOCS tag determines if documentation that is typed after a
+# \internal command is included. If the tag is set to NO then the documentation
+# will be excluded. Set it to YES to include the internal documentation.
+# The default value is: NO.
+
+INTERNAL_DOCS = NO
+
+# If the CASE_SENSE_NAMES tag is set to NO then doxygen will only generate file
+# names in lower-case letters. If set to YES upper-case letters are also
+# allowed. This is useful if you have classes or files whose names only differ
+# in case and if your file system supports case sensitive file names. Windows
+# and Mac users are advised to set this option to NO.
+# The default value is: system dependent.
+
+CASE_SENSE_NAMES = YES
+
+# If the HIDE_SCOPE_NAMES tag is set to NO then doxygen will show members with
+# their full class and namespace scopes in the documentation. If set to YES the
+# scope will be hidden.
+# The default value is: NO.
+
+HIDE_SCOPE_NAMES = NO
+
+# If the SHOW_INCLUDE_FILES tag is set to YES then doxygen will put a list of
+# the files that are included by a file in the documentation of that file.
+# The default value is: YES.
+
+SHOW_INCLUDE_FILES = YES
+
+# If the SHOW_GROUPED_MEMB_INC tag is set to YES then Doxygen will add for each
+# grouped member an include statement to the documentation, telling the reader
+# which file to include in order to use the member.
+# The default value is: NO.
+
+SHOW_GROUPED_MEMB_INC = NO
+
+# If the FORCE_LOCAL_INCLUDES tag is set to YES then doxygen will list include
+# files with double quotes in the documentation rather than with sharp brackets.
+# The default value is: NO.
+
+FORCE_LOCAL_INCLUDES = NO
+
+# If the INLINE_INFO tag is set to YES then a tag [inline] is inserted in the
+# documentation for inline members.
+# The default value is: YES.
+
+INLINE_INFO = YES
+
+# If the SORT_MEMBER_DOCS tag is set to YES then doxygen will sort the
+# (detailed) documentation of file and class members alphabetically by member
+# name. If set to NO the members will appear in declaration order.
+# The default value is: YES.
+
+SORT_MEMBER_DOCS = YES
+
+# If the SORT_BRIEF_DOCS tag is set to YES then doxygen will sort the brief
+# descriptions of file, namespace and class members alphabetically by member
+# name. If set to NO the members will appear in declaration order. Note that
+# this will also influence the order of the classes in the class list.
+# The default value is: NO.
+
+SORT_BRIEF_DOCS = NO
+
+# If the SORT_MEMBERS_CTORS_1ST tag is set to YES then doxygen will sort the
+# (brief and detailed) documentation of class members so that constructors and
+# destructors are listed first. If set to NO the constructors will appear in the
+# respective orders defined by SORT_BRIEF_DOCS and SORT_MEMBER_DOCS.
+# Note: If SORT_BRIEF_DOCS is set to NO this option is ignored for sorting brief
+# member documentation.
+# Note: If SORT_MEMBER_DOCS is set to NO this option is ignored for sorting
+# detailed member documentation.
+# The default value is: NO.
+
+SORT_MEMBERS_CTORS_1ST = NO
+
+# If the SORT_GROUP_NAMES tag is set to YES then doxygen will sort the hierarchy
+# of group names into alphabetical order. If set to NO the group names will
+# appear in their defined order.
+# The default value is: NO.
+
+SORT_GROUP_NAMES = NO
+
+# If the SORT_BY_SCOPE_NAME tag is set to YES, the class list will be sorted by
+# fully-qualified names, including namespaces. If set to NO, the class list will
+# be sorted only by class name, not including the namespace part.
+# Note: This option is not very useful if HIDE_SCOPE_NAMES is set to YES.
+# Note: This option applies only to the class list, not to the alphabetical
+# list.
+# The default value is: NO.
+
+SORT_BY_SCOPE_NAME = NO
+
+# If the STRICT_PROTO_MATCHING option is enabled and doxygen fails to do proper
+# type resolution of all parameters of a function it will reject a match between
+# the prototype and the implementation of a member function even if there is
+# only one candidate or it is obvious which candidate to choose by doing a
+# simple string match. By disabling STRICT_PROTO_MATCHING doxygen will still
+# accept a match between prototype and implementation in such cases.
+# The default value is: NO.
+
+STRICT_PROTO_MATCHING = NO
+
+# The GENERATE_TODOLIST tag can be used to enable ( YES) or disable ( NO) the
+# todo list. This list is created by putting \todo commands in the
+# documentation.
+# The default value is: YES.
+
+GENERATE_TODOLIST = YES
+
+# The GENERATE_TESTLIST tag can be used to enable ( YES) or disable ( NO) the
+# test list. This list is created by putting \test commands in the
+# documentation.
+# The default value is: YES.
+
+GENERATE_TESTLIST = YES
+
+# The GENERATE_BUGLIST tag can be used to enable ( YES) or disable ( NO) the bug
+# list. This list is created by putting \bug commands in the documentation.
+# The default value is: YES.
+
+GENERATE_BUGLIST = YES
+
+# The GENERATE_DEPRECATEDLIST tag can be used to enable ( YES) or disable ( NO)
+# the deprecated list. This list is created by putting \deprecated commands in
+# the documentation.
+# The default value is: YES.
+
+GENERATE_DEPRECATEDLIST = YES
+
+# The ENABLED_SECTIONS tag can be used to enable conditional documentation
+# sections, marked by \if <section_label> ... \endif and \cond <section_label>
+# ... \endcond blocks.
+
+ENABLED_SECTIONS = 
+
+# The MAX_INITIALIZER_LINES tag determines the maximum number of lines that the
+# initial value of a variable or macro / define can have for it to appear in the
+# documentation. If the initializer consists of more lines than specified here
+# it will be hidden. Use a value of 0 to hide initializers completely. The
+# appearance of the value of individual variables and macros / defines can be
+# controlled using \showinitializer or \hideinitializer command in the
+# documentation regardless of this setting.
+# Minimum value: 0, maximum value: 10000, default value: 30.
+
+MAX_INITIALIZER_LINES = 30
+
+# Set the SHOW_USED_FILES tag to NO to disable the list of files generated at
+# the bottom of the documentation of classes and structs. If set to YES the list
+# will mention the files that were used to generate the documentation.
+# The default value is: YES.
+
+SHOW_USED_FILES = YES
+
+# Set the SHOW_FILES tag to NO to disable the generation of the Files page. This
+# will remove the Files entry from the Quick Index and from the Folder Tree View
+# (if specified).
+# The default value is: YES.
+
+SHOW_FILES = YES
+
+# Set the SHOW_NAMESPACES tag to NO to disable the generation of the Namespaces
+# page. This will remove the Namespaces entry from the Quick Index and from the
+# Folder Tree View (if specified).
+# The default value is: YES.
+
+SHOW_NAMESPACES = YES
+
+# The FILE_VERSION_FILTER tag can be used to specify a program or script that
+# doxygen should invoke to get the current version for each file (typically from
+# the version control system). Doxygen will invoke the program by executing (via
+# popen()) the command command input-file, where command is the value of the
+# FILE_VERSION_FILTER tag, and input-file is the name of an input file provided
+# by doxygen. Whatever the program writes to standard output is used as the file
+# version. For an example see the documentation.
+
+FILE_VERSION_FILTER = 
+
+# The LAYOUT_FILE tag can be used to specify a layout file which will be parsed
+# by doxygen. The layout file controls the global structure of the generated
+# output files in an output format independent way. To create the layout file
+# that represents doxygen's defaults, run doxygen with the -l option. You can
+# optionally specify a file name after the option, if omitted DoxygenLayout.xml
+# will be used as the name of the layout file.
+#
+# Note that if you run doxygen from a directory containing a file called
+# DoxygenLayout.xml, doxygen will parse it automatically even if the LAYOUT_FILE
+# tag is left empty.
+
+LAYOUT_FILE = 
+
+# The CITE_BIB_FILES tag can be used to specify one or more bib files containing
+# the reference definitions. This must be a list of .bib files. The .bib
+# extension is automatically appended if omitted. This requires the bibtex tool
+# to be installed. See also http://en.wikipedia.org/wiki/BibTeX for more info.
+# For LaTeX the style of the bibliography can be controlled using
+# LATEX_BIB_STYLE. To use this feature you need bibtex and perl available in the
+# search path. Do not use file names with spaces, bibtex cannot handle them. See
+# also \cite for info how to create references.
+
+CITE_BIB_FILES = 
+
+#---------------------------------------------------------------------------
+# Configuration options related to warning and progress messages
+#---------------------------------------------------------------------------
+
+# The QUIET tag can be used to turn on/off the messages that are generated to
+# standard output by doxygen. If QUIET is set to YES this implies that the
+# messages are off.
+# The default value is: NO.
+
+QUIET = NO
+
+# The WARNINGS tag can be used to turn on/off the warning messages that are
+# generated to standard error ( stderr) by doxygen. If WARNINGS is set to YES
+# this implies that the warnings are on.
+#
+# Tip: Turn warnings on while writing the documentation.
+# The default value is: YES.
+
+WARNINGS = YES
+
+# If the WARN_IF_UNDOCUMENTED tag is set to YES, then doxygen will generate
+# warnings for undocumented members. If EXTRACT_ALL is set to YES then this flag
+# will automatically be disabled.
+# The default value is: YES.
+
+WARN_IF_UNDOCUMENTED = YES
+
+# If the WARN_IF_DOC_ERROR tag is set to YES, doxygen will generate warnings for
+# potential errors in the documentation, such as not documenting some parameters
+# in a documented function, or documenting parameters that don't exist or using
+# markup commands wrongly.
+# The default value is: YES.
+
+WARN_IF_DOC_ERROR = YES
+
+# This WARN_NO_PARAMDOC option can be enabled to get warnings for functions that
+# are documented, but have no documentation for their parameters or return
+# value. If set to NO doxygen will only warn about wrong or incomplete parameter
+# documentation, but not about the absence of documentation.
+# The default value is: NO.
+
+WARN_NO_PARAMDOC = NO
+
+# The WARN_FORMAT tag determines the format of the warning messages that doxygen
+# can produce. The string should contain the $file, $line, and $text tags, which
+# will be replaced by the file and line number from which the warning originated
+# and the warning text. Optionally the format may contain $version, which will
+# be replaced by the version of the file (if it could be obtained via
+# FILE_VERSION_FILTER)
+# The default value is: $file:$line: $text.
+
+WARN_FORMAT = "$file:$line: $text"
+
+# The WARN_LOGFILE tag can be used to specify a file to which warning and error
+# messages should be written. If left blank the output is written to standard
+# error (stderr).
+
+WARN_LOGFILE = 
+
+#---------------------------------------------------------------------------
+# Configuration options related to the input files
+#---------------------------------------------------------------------------
+
+# The INPUT tag is used to specify the files and/or directories that contain
+# documented source files. You may enter file names like myfile.cpp or
+# directories like /usr/src/myproject. Separate the files or directories with
+# spaces.
+# Note: If this tag is empty the current directory is searched.
+
+INPUT = . 
+
+# This tag can be used to specify the character encoding of the source files
+# that doxygen parses. Internally doxygen uses the UTF-8 encoding. Doxygen uses
+# libiconv (or the iconv built into libc) for the transcoding. See the libiconv
+# documentation (see: http://www.gnu.org/software/libiconv) for the list of
+# possible encodings.
+# The default value is: UTF-8.
+
+INPUT_ENCODING = UTF-8
+
+# If the value of the INPUT tag contains directories, you can use the
+# FILE_PATTERNS tag to specify one or more wildcard patterns (like *.cpp and
+# *.h) to filter out the source-files in the directories. If left blank the
+# following patterns are tested:*.c, *.cc, *.cxx, *.cpp, *.c++, *.java, *.ii,
+# *.ixx, *.ipp, *.i++, *.inl, *.idl, *.ddl, *.odl, *.h, *.hh, *.hxx, *.hpp,
+# *.h++, *.cs, *.d, *.php, *.php4, *.php5, *.phtml, *.inc, *.m, *.markdown,
+# *.md, *.mm, *.dox, *.py, *.f90, *.f, *.for, *.tcl, *.vhd, *.vhdl, *.ucf,
+# *.qsf, *.as and *.js.
+
+FILE_PATTERNS = 
+
+# The RECURSIVE tag can be used to specify whether or not subdirectories should
+# be searched for input files as well.
+# The default value is: NO.
+
+RECURSIVE = YES
+
+# The EXCLUDE tag can be used to specify files and/or directories that should be
+# excluded from the INPUT source files. This way you can easily exclude a
+# subdirectory from a directory tree whose root is specified with the INPUT tag.
+#
+# Note that relative paths are relative to the directory from which doxygen is
+# run.
+
+EXCLUDE = 
+
+# The EXCLUDE_SYMLINKS tag can be used to select whether or not files or
+# directories that are symbolic links (a Unix file system feature) are excluded
+# from the input.
+# The default value is: NO.
+
+EXCLUDE_SYMLINKS = NO
+
+# If the value of the INPUT tag contains directories, you can use the
+# EXCLUDE_PATTERNS tag to specify one or more wildcard patterns to exclude
+# certain files from those directories.
+#
+# Note that the wildcards are matched against the file with absolute path, so to
+# exclude all test directories for example use the pattern */test/*
+
+EXCLUDE_PATTERNS = 
+
+# The EXCLUDE_SYMBOLS tag can be used to specify one or more symbol names
+# (namespaces, classes, functions, etc.) that should be excluded from the
+# output. The symbol name can be a fully qualified name, a word, or if the
+# wildcard * is used, a substring. Examples: ANamespace, AClass,
+# AClass::ANamespace, ANamespace::*Test
+#
+# Note that the wildcards are matched against the file with absolute path, so to
+# exclude all test directories use the pattern */test/*
+
+EXCLUDE_SYMBOLS = 
+
+# The EXAMPLE_PATH tag can be used to specify one or more files or directories
+# that contain example code fragments that are included (see the \include
+# command).
+
+EXAMPLE_PATH = 
+
+# If the value of the EXAMPLE_PATH tag contains directories, you can use the
+# EXAMPLE_PATTERNS tag to specify one or more wildcard pattern (like *.cpp and
+# *.h) to filter out the source-files in the directories. If left blank all
+# files are included.
+
+EXAMPLE_PATTERNS = 
+
+# If the EXAMPLE_RECURSIVE tag is set to YES then subdirectories will be
+# searched for input files to be used with the \include or \dontinclude commands
+# irrespective of the value of the RECURSIVE tag.
+# The default value is: NO.
+
+EXAMPLE_RECURSIVE = NO
+
+# The IMAGE_PATH tag can be used to specify one or more files or directories
+# that contain images that are to be included in the documentation (see the
+# \image command).
+
+IMAGE_PATH = 
+
+# The INPUT_FILTER tag can be used to specify a program that doxygen should
+# invoke to filter for each input file. Doxygen will invoke the filter program
+# by executing (via popen()) the command:
+#
+# <filter> <input-file>
+#
+# where <filter> is the value of the INPUT_FILTER tag, and <input-file> is the
+# name of an input file. Doxygen will then use the output that the filter
+# program writes to standard output. If FILTER_PATTERNS is specified, this tag
+# will be ignored.
+#
+# Note that the filter must not add or remove lines; it is applied before the
+# code is scanned, but not when the output code is generated. If lines are added
+# or removed, the anchors will not be placed correctly.
+
+INPUT_FILTER = 
+
+# The FILTER_PATTERNS tag can be used to specify filters on a per file pattern
+# basis. Doxygen will compare the file name with each pattern and apply the
+# filter if there is a match. The filters are a list of the form: pattern=filter
+# (like *.cpp=my_cpp_filter). See INPUT_FILTER for further information on how
+# filters are used. If the FILTER_PATTERNS tag is empty or if none of the
+# patterns match the file name, INPUT_FILTER is applied.
+
+FILTER_PATTERNS = 
+
+# If the FILTER_SOURCE_FILES tag is set to YES, the input filter (if set using
+# INPUT_FILTER ) will also be used to filter the input files that are used for
+# producing the source files to browse (i.e. when SOURCE_BROWSER is set to YES).
+# The default value is: NO.
+
+FILTER_SOURCE_FILES = NO
+
+# The FILTER_SOURCE_PATTERNS tag can be used to specify source filters per file
+# pattern. A pattern will override the setting for FILTER_PATTERN (if any) and
+# it is also possible to disable source filtering for a specific pattern using
+# *.ext= (so without naming a filter).
+# This tag requires that the tag FILTER_SOURCE_FILES is set to YES.
+
+FILTER_SOURCE_PATTERNS = 
+
+# If the USE_MDFILE_AS_MAINPAGE tag refers to the name of a markdown file that
+# is part of the input, its contents will be placed on the main page
+# (index.html). This can be useful if you have a project on for instance GitHub
+# and want to reuse the introduction page also for the doxygen output.
+
+USE_MDFILE_AS_MAINPAGE = 
+
+#---------------------------------------------------------------------------
+# Configuration options related to source browsing
+#---------------------------------------------------------------------------
+
+# If the SOURCE_BROWSER tag is set to YES then a list of source files will be
+# generated. Documented entities will be cross-referenced with these sources.
+#
+# Note: To get rid of all source code in the generated output, make sure that
+# also VERBATIM_HEADERS is set to NO.
+# The default value is: NO.
+
+SOURCE_BROWSER = NO
+
+# Setting the INLINE_SOURCES tag to YES will include the body of functions,
+# classes and enums directly into the documentation.
+# The default value is: NO.
+
+INLINE_SOURCES = NO
+
+# Setting the STRIP_CODE_COMMENTS tag to YES will instruct doxygen to hide any
+# special comment blocks from generated source code fragments. Normal C, C++ and
+# Fortran comments will always remain visible.
+# The default value is: YES.
+
+STRIP_CODE_COMMENTS = YES
+
+# If the REFERENCED_BY_RELATION tag is set to YES then for each documented
+# function all documented functions referencing it will be listed.
+# The default value is: NO.
+
+REFERENCED_BY_RELATION = NO
+
+# If the REFERENCES_RELATION tag is set to YES then for each documented function
+# all documented entities called/used by that function will be listed.
+# The default value is: NO.
+
+REFERENCES_RELATION = NO
+
+# If the REFERENCES_LINK_SOURCE tag is set to YES and SOURCE_BROWSER tag is set
+# to YES, then the hyperlinks from functions in REFERENCES_RELATION and
+# REFERENCED_BY_RELATION lists will link to the source code. Otherwise they will
+# link to the documentation.
+# The default value is: YES.
+
+REFERENCES_LINK_SOURCE = YES
+
+# If SOURCE_TOOLTIPS is enabled (the default) then hovering a hyperlink in the
+# source code will show a tooltip with additional information such as prototype,
+# brief description and links to the definition and documentation. Since this
+# will make the HTML file larger and loading of large files a bit slower, you
+# can opt to disable this feature.
+# The default value is: YES.
+# This tag requires that the tag SOURCE_BROWSER is set to YES.
+
+SOURCE_TOOLTIPS = YES
+
+# If the USE_HTAGS tag is set to YES then the references to source code will
+# point to the HTML generated by the htags(1) tool instead of doxygen built-in
+# source browser. The htags tool is part of GNU's global source tagging system
+# (see http://www.gnu.org/software/global/global.html). You will need version
+# 4.8.6 or higher.
+#
+# To use it do the following:
+# - Install the latest version of global
+# - Enable SOURCE_BROWSER and USE_HTAGS in the config file
+# - Make sure the INPUT points to the root of the source tree
+# - Run doxygen as normal
+#
+# Doxygen will invoke htags (and that will in turn invoke gtags), so these
+# tools must be available from the command line (i.e. in the search path).
+#
+# The result: instead of the source browser generated by doxygen, the links to
+# source code will now point to the output of htags.
+# The default value is: NO.
+# This tag requires that the tag SOURCE_BROWSER is set to YES.
+
+USE_HTAGS = NO
+
+# If the VERBATIM_HEADERS tag is set the YES then doxygen will generate a
+# verbatim copy of the header file for each class for which an include is
+# specified. Set to NO to disable this.
+# See also: Section \class.
+# The default value is: YES.
+
+VERBATIM_HEADERS = YES
+
+#---------------------------------------------------------------------------
+# Configuration options related to the alphabetical class index
+#---------------------------------------------------------------------------
+
+# If the ALPHABETICAL_INDEX tag is set to YES, an alphabetical index of all
+# compounds will be generated. Enable this if the project contains a lot of
+# classes, structs, unions or interfaces.
+# The default value is: YES.
+
+ALPHABETICAL_INDEX = YES
+
+# The COLS_IN_ALPHA_INDEX tag can be used to specify the number of columns in
+# which the alphabetical index list will be split.
+# Minimum value: 1, maximum value: 20, default value: 5.
+# This tag requires that the tag ALPHABETICAL_INDEX is set to YES.
+
+COLS_IN_ALPHA_INDEX = 5
+
+# In case all classes in a project start with a common prefix, all classes will
+# be put under the same header in the alphabetical index. The IGNORE_PREFIX tag
+# can be used to specify a prefix (or a list of prefixes) that should be ignored
+# while generating the index headers.
+# This tag requires that the tag ALPHABETICAL_INDEX is set to YES.
+
+IGNORE_PREFIX = 
+
+#---------------------------------------------------------------------------
+# Configuration options related to the HTML output
+#---------------------------------------------------------------------------
+
+# If the GENERATE_HTML tag is set to YES doxygen will generate HTML output
+# The default value is: YES.
+
+GENERATE_HTML = YES
+
+# The HTML_OUTPUT tag is used to specify where the HTML docs will be put. If a
+# relative path is entered the value of OUTPUT_DIRECTORY will be put in front of
+# it.
+# The default directory is: html.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+HTML_OUTPUT = html
+
+# The HTML_FILE_EXTENSION tag can be used to specify the file extension for each
+# generated HTML page (for example: .htm, .php, .asp).
+# The default value is: .html.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+HTML_FILE_EXTENSION = .html
+
+# The HTML_HEADER tag can be used to specify a user-defined HTML header file for
+# each generated HTML page. If the tag is left blank doxygen will generate a
+# standard header.
+#
+# To get valid HTML the header file that includes any scripts and style sheets
+# that doxygen needs, which is dependent on the configuration options used (e.g.
+# the setting GENERATE_TREEVIEW). It is highly recommended to start with a
+# default header using
+# doxygen -w html new_header.html new_footer.html new_stylesheet.css
+# YourConfigFile
+# and then modify the file new_header.html. See also section "Doxygen usage"
+# for information on how to generate the default header that doxygen normally
+# uses.
+# Note: The header is subject to change so you typically have to regenerate the
+# default header when upgrading to a newer version of doxygen. For a description
+# of the possible markers and block names see the documentation.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+HTML_HEADER = 
+
+# The HTML_FOOTER tag can be used to specify a user-defined HTML footer for each
+# generated HTML page. If the tag is left blank doxygen will generate a standard
+# footer. See HTML_HEADER for more information on how to generate a default
+# footer and what special commands can be used inside the footer. See also
+# section "Doxygen usage" for information on how to generate the default footer
+# that doxygen normally uses.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+HTML_FOOTER = 
+
+# The HTML_STYLESHEET tag can be used to specify a user-defined cascading style
+# sheet that is used by each HTML page. It can be used to fine-tune the look of
+# the HTML output. If left blank doxygen will generate a default style sheet.
+# See also section "Doxygen usage" for information on how to generate the style
+# sheet that doxygen normally uses.
+# Note: It is recommended to use HTML_EXTRA_STYLESHEET instead of this tag, as
+# it is more robust and this tag (HTML_STYLESHEET) will in the future become
+# obsolete.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+HTML_STYLESHEET = 
+
+# The HTML_EXTRA_STYLESHEET tag can be used to specify an additional user-
+# defined cascading style sheet that is included after the standard style sheets
+# created by doxygen. Using this option one can overrule certain style aspects.
+# This is preferred over using HTML_STYLESHEET since it does not replace the
+# standard style sheet and is therefor more robust against future updates.
+# Doxygen will copy the style sheet file to the output directory. For an example
+# see the documentation.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+HTML_EXTRA_STYLESHEET = 
+
+# The HTML_EXTRA_FILES tag can be used to specify one or more extra images or
+# other source files which should be copied to the HTML output directory. Note
+# that these files will be copied to the base HTML output directory. Use the
+# $relpath^ marker in the HTML_HEADER and/or HTML_FOOTER files to load these
+# files. In the HTML_STYLESHEET file, use the file name only. Also note that the
+# files will be copied as-is; there are no commands or markers available.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+HTML_EXTRA_FILES = 
+
+# The HTML_COLORSTYLE_HUE tag controls the color of the HTML output. Doxygen
+# will adjust the colors in the stylesheet and background images according to
+# this color. Hue is specified as an angle on a colorwheel, see
+# http://en.wikipedia.org/wiki/Hue for more information. For instance the value
+# 0 represents red, 60 is yellow, 120 is green, 180 is cyan, 240 is blue, 300
+# purple, and 360 is red again.
+# Minimum value: 0, maximum value: 359, default value: 220.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+HTML_COLORSTYLE_HUE = 220
+
+# The HTML_COLORSTYLE_SAT tag controls the purity (or saturation) of the colors
+# in the HTML output. For a value of 0 the output will use grayscales only. A
+# value of 255 will produce the most vivid colors.
+# Minimum value: 0, maximum value: 255, default value: 100.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+HTML_COLORSTYLE_SAT = 100
+
+# The HTML_COLORSTYLE_GAMMA tag controls the gamma correction applied to the
+# luminance component of the colors in the HTML output. Values below 100
+# gradually make the output lighter, whereas values above 100 make the output
+# darker. The value divided by 100 is the actual gamma applied, so 80 represents
+# a gamma of 0.8, The value 220 represents a gamma of 2.2, and 100 does not
+# change the gamma.
+# Minimum value: 40, maximum value: 240, default value: 80.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+HTML_COLORSTYLE_GAMMA = 80
+
+# If the HTML_TIMESTAMP tag is set to YES then the footer of each generated HTML
+# page will contain the date and time when the page was generated. Setting this
+# to NO can help when comparing the output of multiple runs.
+# The default value is: YES.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+HTML_TIMESTAMP = NO
+
+# If the HTML_DYNAMIC_SECTIONS tag is set to YES then the generated HTML
+# documentation will contain sections that can be hidden and shown after the
+# page has loaded.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+HTML_DYNAMIC_SECTIONS = NO
+
+# With HTML_INDEX_NUM_ENTRIES one can control the preferred number of entries
+# shown in the various tree structured indices initially; the user can expand
+# and collapse entries dynamically later on. Doxygen will expand the tree to
+# such a level that at most the specified number of entries are visible (unless
+# a fully collapsed tree already exceeds this amount). So setting the number of
+# entries 1 will produce a full collapsed tree by default. 0 is a special value
+# representing an infinite number of entries and will result in a full expanded
+# tree by default.
+# Minimum value: 0, maximum value: 9999, default value: 100.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+HTML_INDEX_NUM_ENTRIES = 100
+
+# If the GENERATE_DOCSET tag is set to YES, additional index files will be
+# generated that can be used as input for Apple's Xcode 3 integrated development
+# environment (see: http://developer.apple.com/tools/xcode/), introduced with
+# OSX 10.5 (Leopard). To create a documentation set, doxygen will generate a
+# Makefile in the HTML output directory. Running make will produce the docset in
+# that directory and running make install will install the docset in
+# ~/Library/Developer/Shared/Documentation/DocSets so that Xcode will find it at
+# startup. See http://developer.apple.com/tools/creatingdocsetswithdoxygen.html
+# for more information.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+GENERATE_DOCSET = NO
+
+# This tag determines the name of the docset feed. A documentation feed provides
+# an umbrella under which multiple documentation sets from a single provider
+# (such as a company or product suite) can be grouped.
+# The default value is: Doxygen generated docs.
+# This tag requires that the tag GENERATE_DOCSET is set to YES.
+
+DOCSET_FEEDNAME = "Doxygen generated docs"
+
+# This tag specifies a string that should uniquely identify the documentation
+# set bundle. This should be a reverse domain-name style string, e.g.
+# com.mycompany.MyDocSet. Doxygen will append .docset to the name.
+# The default value is: org.doxygen.Project.
+# This tag requires that the tag GENERATE_DOCSET is set to YES.
+
+DOCSET_BUNDLE_ID = org.doxygen.Project
+
+# The DOCSET_PUBLISHER_ID tag specifies a string that should uniquely identify
+# the documentation publisher. This should be a reverse domain-name style
+# string, e.g. com.mycompany.MyDocSet.documentation.
+# The default value is: org.doxygen.Publisher.
+# This tag requires that the tag GENERATE_DOCSET is set to YES.
+
+DOCSET_PUBLISHER_ID = org.doxygen.Publisher
+
+# The DOCSET_PUBLISHER_NAME tag identifies the documentation publisher.
+# The default value is: Publisher.
+# This tag requires that the tag GENERATE_DOCSET is set to YES.
+
+DOCSET_PUBLISHER_NAME = Publisher
+
+# If the GENERATE_HTMLHELP tag is set to YES then doxygen generates three
+# additional HTML index files: index.hhp, index.hhc, and index.hhk. The
+# index.hhp is a project file that can be read by Microsoft's HTML Help Workshop
+# (see: http://www.microsoft.com/en-us/download/details.aspx?id=21138) on
+# Windows.
+#
+# The HTML Help Workshop contains a compiler that can convert all HTML output
+# generated by doxygen into a single compiled HTML file (.chm). Compiled HTML
+# files are now used as the Windows 98 help format, and will replace the old
+# Windows help format (.hlp) on all Windows platforms in the future. Compressed
+# HTML files also contain an index, a table of contents, and you can search for
+# words in the documentation. The HTML workshop also contains a viewer for
+# compressed HTML files.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+GENERATE_HTMLHELP = NO
+
+# The CHM_FILE tag can be used to specify the file name of the resulting .chm
+# file. You can add a path in front of the file if the result should not be
+# written to the html output directory.
+# This tag requires that the tag GENERATE_HTMLHELP is set to YES.
+
+CHM_FILE = 
+
+# The HHC_LOCATION tag can be used to specify the location (absolute path
+# including file name) of the HTML help compiler ( hhc.exe). If non-empty
+# doxygen will try to run the HTML help compiler on the generated index.hhp.
+# The file has to be specified with full path.
+# This tag requires that the tag GENERATE_HTMLHELP is set to YES.
+
+HHC_LOCATION = 
+
+# The GENERATE_CHI flag controls if a separate .chi index file is generated (
+# YES) or that it should be included in the master .chm file ( NO).
+# The default value is: NO.
+# This tag requires that the tag GENERATE_HTMLHELP is set to YES.
+
+GENERATE_CHI = NO
+
+# The CHM_INDEX_ENCODING is used to encode HtmlHelp index ( hhk), content ( hhc)
+# and project file content.
+# This tag requires that the tag GENERATE_HTMLHELP is set to YES.
+
+CHM_INDEX_ENCODING = 
+
+# The BINARY_TOC flag controls whether a binary table of contents is generated (
+# YES) or a normal table of contents ( NO) in the .chm file.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_HTMLHELP is set to YES.
+
+BINARY_TOC = NO
+
+# The TOC_EXPAND flag can be set to YES to add extra items for group members to
+# the table of contents of the HTML help documentation and to the tree view.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_HTMLHELP is set to YES.
+
+TOC_EXPAND = NO
+
+# If the GENERATE_QHP tag is set to YES and both QHP_NAMESPACE and
+# QHP_VIRTUAL_FOLDER are set, an additional index file will be generated that
+# can be used as input for Qt's qhelpgenerator to generate a Qt Compressed Help
+# (.qch) of the generated HTML documentation.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+GENERATE_QHP = NO
+
+# If the QHG_LOCATION tag is specified, the QCH_FILE tag can be used to specify
+# the file name of the resulting .qch file. The path specified is relative to
+# the HTML output folder.
+# This tag requires that the tag GENERATE_QHP is set to YES.
+
+QCH_FILE = 
+
+# The QHP_NAMESPACE tag specifies the namespace to use when generating Qt Help
+# Project output. For more information please see Qt Help Project / Namespace
+# (see: http://qt-project.org/doc/qt-4.8/qthelpproject.html#namespace).
+# The default value is: org.doxygen.Project.
+# This tag requires that the tag GENERATE_QHP is set to YES.
+
+QHP_NAMESPACE = org.doxygen.Project
+
+# The QHP_VIRTUAL_FOLDER tag specifies the namespace to use when generating Qt
+# Help Project output. For more information please see Qt Help Project / Virtual
+# Folders (see: http://qt-project.org/doc/qt-4.8/qthelpproject.html#virtual-
+# folders).
+# The default value is: doc.
+# This tag requires that the tag GENERATE_QHP is set to YES.
+
+QHP_VIRTUAL_FOLDER = doc
+
+# If the QHP_CUST_FILTER_NAME tag is set, it specifies the name of a custom
+# filter to add. For more information please see Qt Help Project / Custom
+# Filters (see: http://qt-project.org/doc/qt-4.8/qthelpproject.html#custom-
+# filters).
+# This tag requires that the tag GENERATE_QHP is set to YES.
+
+QHP_CUST_FILTER_NAME = 
+
+# The QHP_CUST_FILTER_ATTRS tag specifies the list of the attributes of the
+# custom filter to add. For more information please see Qt Help Project / Custom
+# Filters (see: http://qt-project.org/doc/qt-4.8/qthelpproject.html#custom-
+# filters).
+# This tag requires that the tag GENERATE_QHP is set to YES.
+
+QHP_CUST_FILTER_ATTRS = 
+
+# The QHP_SECT_FILTER_ATTRS tag specifies the list of the attributes this
+# project's filter section matches. Qt Help Project / Filter Attributes (see:
+# http://qt-project.org/doc/qt-4.8/qthelpproject.html#filter-attributes).
+# This tag requires that the tag GENERATE_QHP is set to YES.
+
+QHP_SECT_FILTER_ATTRS = 
+
+# The QHG_LOCATION tag can be used to specify the location of Qt's
+# qhelpgenerator. If non-empty doxygen will try to run qhelpgenerator on the
+# generated .qhp file.
+# This tag requires that the tag GENERATE_QHP is set to YES.
+
+QHG_LOCATION = 
+
+# If the GENERATE_ECLIPSEHELP tag is set to YES, additional index files will be
+# generated, together with the HTML files, they form an Eclipse help plugin. To
+# install this plugin and make it available under the help contents menu in
+# Eclipse, the contents of the directory containing the HTML and XML files needs
+# to be copied into the plugins directory of eclipse. The name of the directory
+# within the plugins directory should be the same as the ECLIPSE_DOC_ID value.
+# After copying Eclipse needs to be restarted before the help appears.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+GENERATE_ECLIPSEHELP = NO
+
+# A unique identifier for the Eclipse help plugin. When installing the plugin
+# the directory name containing the HTML and XML files should also have this
+# name. Each documentation set should have its own identifier.
+# The default value is: org.doxygen.Project.
+# This tag requires that the tag GENERATE_ECLIPSEHELP is set to YES.
+
+ECLIPSE_DOC_ID = org.doxygen.Project
+
+# If you want full control over the layout of the generated HTML pages it might
+# be necessary to disable the index and replace it with your own. The
+# DISABLE_INDEX tag can be used to turn on/off the condensed index (tabs) at top
+# of each HTML page. A value of NO enables the index and the value YES disables
+# it. Since the tabs in the index contain the same information as the navigation
+# tree, you can set this option to YES if you also set GENERATE_TREEVIEW to YES.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+DISABLE_INDEX = NO
+
+# The GENERATE_TREEVIEW tag is used to specify whether a tree-like index
+# structure should be generated to display hierarchical information. If the tag
+# value is set to YES, a side panel will be generated containing a tree-like
+# index structure (just like the one that is generated for HTML Help). For this
+# to work a browser that supports JavaScript, DHTML, CSS and frames is required
+# (i.e. any modern browser). Windows users are probably better off using the
+# HTML help feature. Via custom stylesheets (see HTML_EXTRA_STYLESHEET) one can
+# further fine-tune the look of the index. As an example, the default style
+# sheet generated by doxygen has an example that shows how to put an image at
+# the root of the tree instead of the PROJECT_NAME. Since the tree basically has
+# the same information as the tab index, you could consider setting
+# DISABLE_INDEX to YES when enabling this option.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+GENERATE_TREEVIEW = YES
+
+# The ENUM_VALUES_PER_LINE tag can be used to set the number of enum values that
+# doxygen will group on one line in the generated HTML documentation.
+#
+# Note that a value of 0 will completely suppress the enum values from appearing
+# in the overview section.
+# Minimum value: 0, maximum value: 20, default value: 4.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+ENUM_VALUES_PER_LINE = 4
+
+# If the treeview is enabled (see GENERATE_TREEVIEW) then this tag can be used
+# to set the initial width (in pixels) of the frame in which the tree is shown.
+# Minimum value: 0, maximum value: 1500, default value: 250.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+TREEVIEW_WIDTH = 250
+
+# When the EXT_LINKS_IN_WINDOW option is set to YES doxygen will open links to
+# external symbols imported via tag files in a separate window.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+EXT_LINKS_IN_WINDOW = NO
+
+# Use this tag to change the font size of LaTeX formulas included as images in
+# the HTML documentation. When you change the font size after a successful
+# doxygen run you need to manually remove any form_*.png images from the HTML
+# output directory to force them to be regenerated.
+# Minimum value: 8, maximum value: 50, default value: 10.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+FORMULA_FONTSIZE = 10
+
+# Use the FORMULA_TRANPARENT tag to determine whether or not the images
+# generated for formulas are transparent PNGs. Transparent PNGs are not
+# supported properly for IE 6.0, but are supported on all modern browsers.
+#
+# Note that when changing this option you need to delete any form_*.png files in
+# the HTML output directory before the changes have effect.
+# The default value is: YES.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+FORMULA_TRANSPARENT = YES
+
+# Enable the USE_MATHJAX option to render LaTeX formulas using MathJax (see
+# http://www.mathjax.org) which uses client side Javascript for the rendering
+# instead of using prerendered bitmaps. Use this if you do not have LaTeX
+# installed or if you want to formulas look prettier in the HTML output. When
+# enabled you may also need to install MathJax separately and configure the path
+# to it using the MATHJAX_RELPATH option.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+USE_MATHJAX = NO
+
+# When MathJax is enabled you can set the default output format to be used for
+# the MathJax output. See the MathJax site (see:
+# http://docs.mathjax.org/en/latest/output.html) for more details.
+# Possible values are: HTML-CSS (which is slower, but has the best
+# compatibility), NativeMML (i.e. MathML) and SVG.
+# The default value is: HTML-CSS.
+# This tag requires that the tag USE_MATHJAX is set to YES.
+
+MATHJAX_FORMAT = HTML-CSS
+
+# When MathJax is enabled you need to specify the location relative to the HTML
+# output directory using the MATHJAX_RELPATH option. The destination directory
+# should contain the MathJax.js script. For instance, if the mathjax directory
+# is located at the same level as the HTML output directory, then
+# MATHJAX_RELPATH should be ../mathjax. The default value points to the MathJax
+# Content Delivery Network so you can quickly see the result without installing
+# MathJax. However, it is strongly recommended to install a local copy of
+# MathJax from http://www.mathjax.org before deployment.
+# The default value is: http://cdn.mathjax.org/mathjax/latest.
+# This tag requires that the tag USE_MATHJAX is set to YES.
+
+MATHJAX_RELPATH = http://cdn.mathjax.org/mathjax/latest
+
+# The MATHJAX_EXTENSIONS tag can be used to specify one or more MathJax
+# extension names that should be enabled during MathJax rendering. For example
+# MATHJAX_EXTENSIONS = TeX/AMSmath TeX/AMSsymbols
+# This tag requires that the tag USE_MATHJAX is set to YES.
+
+MATHJAX_EXTENSIONS = 
+
+# The MATHJAX_CODEFILE tag can be used to specify a file with javascript pieces
+# of code that will be used on startup of the MathJax code. See the MathJax site
+# (see: http://docs.mathjax.org/en/latest/output.html) for more details. For an
+# example see the documentation.
+# This tag requires that the tag USE_MATHJAX is set to YES.
+
+MATHJAX_CODEFILE = 
+
+# When the SEARCHENGINE tag is enabled doxygen will generate a search box for
+# the HTML output. The underlying search engine uses javascript and DHTML and
+# should work on any modern browser. Note that when using HTML help
+# (GENERATE_HTMLHELP), Qt help (GENERATE_QHP), or docsets (GENERATE_DOCSET)
+# there is already a search function so this one should typically be disabled.
+# For large projects the javascript based search engine can be slow, then
+# enabling SERVER_BASED_SEARCH may provide a better solution. It is possible to
+# search using the keyboard; to jump to the search box use <access key> + S
+# (what the <access key> is depends on the OS and browser, but it is typically
+# <CTRL>, <ALT>/<option>, or both). Inside the search box use the <cursor down
+# key> to jump into the search results window, the results can be navigated
+# using the <cursor keys>. Press <Enter> to select an item or <escape> to cancel
+# the search. The filter options can be selected when the cursor is inside the
+# search box by pressing <Shift>+<cursor down>. Also here use the <cursor keys>
+# to select a filter and <Enter> or <escape> to activate or cancel the filter
+# option.
+# The default value is: YES.
+# This tag requires that the tag GENERATE_HTML is set to YES.
+
+SEARCHENGINE = YES
+
+# When the SERVER_BASED_SEARCH tag is enabled the search engine will be
+# implemented using a web server instead of a web client using Javascript. There
+# are two flavours of web server based searching depending on the
+# EXTERNAL_SEARCH setting. When disabled, doxygen will generate a PHP script for
+# searching and an index file used by the script. When EXTERNAL_SEARCH is
+# enabled the indexing and searching needs to be provided by external tools. See
+# the section "External Indexing and Searching" for details.
+# The default value is: NO.
+# This tag requires that the tag SEARCHENGINE is set to YES.
+
+SERVER_BASED_SEARCH = NO
+
+# When EXTERNAL_SEARCH tag is enabled doxygen will no longer generate the PHP
+# script for searching. Instead the search results are written to an XML file
+# which needs to be processed by an external indexer. Doxygen will invoke an
+# external search engine pointed to by the SEARCHENGINE_URL option to obtain the
+# search results.
+#
+# Doxygen ships with an example indexer ( doxyindexer) and search engine
+# (doxysearch.cgi) which are based on the open source search engine library
+# Xapian (see: http://xapian.org/).
+#
+# See the section "External Indexing and Searching" for details.
+# The default value is: NO.
+# This tag requires that the tag SEARCHENGINE is set to YES.
+
+EXTERNAL_SEARCH = NO
+
+# The SEARCHENGINE_URL should point to a search engine hosted by a web server
+# which will return the search results when EXTERNAL_SEARCH is enabled.
+#
+# Doxygen ships with an example indexer ( doxyindexer) and search engine
+# (doxysearch.cgi) which are based on the open source search engine library
+# Xapian (see: http://xapian.org/). See the section "External Indexing and
+# Searching" for details.
+# This tag requires that the tag SEARCHENGINE is set to YES.
+
+SEARCHENGINE_URL = 
+
+# When SERVER_BASED_SEARCH and EXTERNAL_SEARCH are both enabled the unindexed
+# search data is written to a file for indexing by an external tool. With the
+# SEARCHDATA_FILE tag the name of this file can be specified.
+# The default file is: searchdata.xml.
+# This tag requires that the tag SEARCHENGINE is set to YES.
+
+SEARCHDATA_FILE = searchdata.xml
+
+# When SERVER_BASED_SEARCH and EXTERNAL_SEARCH are both enabled the
+# EXTERNAL_SEARCH_ID tag can be used as an identifier for the project. This is
+# useful in combination with EXTRA_SEARCH_MAPPINGS to search through multiple
+# projects and redirect the results back to the right project.
+# This tag requires that the tag SEARCHENGINE is set to YES.
+
+EXTERNAL_SEARCH_ID = 
+
+# The EXTRA_SEARCH_MAPPINGS tag can be used to enable searching through doxygen
+# projects other than the one defined by this configuration file, but that are
+# all added to the same external search index. Each project needs to have a
+# unique id set via EXTERNAL_SEARCH_ID. The search mapping then maps the id of
+# to a relative location where the documentation can be found. The format is:
+# EXTRA_SEARCH_MAPPINGS = tagname1=loc1 tagname2=loc2 ...
+# This tag requires that the tag SEARCHENGINE is set to YES.
+
+EXTRA_SEARCH_MAPPINGS = 
+
+#---------------------------------------------------------------------------
+# Configuration options related to the LaTeX output
+#---------------------------------------------------------------------------
+
+# If the GENERATE_LATEX tag is set to YES doxygen will generate LaTeX output.
+# The default value is: YES.
+
+GENERATE_LATEX = YES
+
+# The LATEX_OUTPUT tag is used to specify where the LaTeX docs will be put. If a
+# relative path is entered the value of OUTPUT_DIRECTORY will be put in front of
+# it.
+# The default directory is: latex.
+# This tag requires that the tag GENERATE_LATEX is set to YES.
+
+LATEX_OUTPUT = latex
+
+# The LATEX_CMD_NAME tag can be used to specify the LaTeX command name to be
+# invoked.
+#
+# Note that when enabling USE_PDFLATEX this option is only used for generating
+# bitmaps for formulas in the HTML output, but not in the Makefile that is
+# written to the output directory.
+# The default file is: latex.
+# This tag requires that the tag GENERATE_LATEX is set to YES.
+
+LATEX_CMD_NAME = latex
+
+# The MAKEINDEX_CMD_NAME tag can be used to specify the command name to generate
+# index for LaTeX.
+# The default file is: makeindex.
+# This tag requires that the tag GENERATE_LATEX is set to YES.
+
+MAKEINDEX_CMD_NAME = makeindex
+
+# If the COMPACT_LATEX tag is set to YES doxygen generates more compact LaTeX
+# documents. This may be useful for small projects and may help to save some
+# trees in general.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_LATEX is set to YES.
+
+COMPACT_LATEX = NO
+
+# The PAPER_TYPE tag can be used to set the paper type that is used by the
+# printer.
+# Possible values are: a4 (210 x 297 mm), letter (8.5 x 11 inches), legal (8.5 x
+# 14 inches) and executive (7.25 x 10.5 inches).
+# The default value is: a4.
+# This tag requires that the tag GENERATE_LATEX is set to YES.
+
+PAPER_TYPE = a4
+
+# The EXTRA_PACKAGES tag can be used to specify one or more LaTeX package names
+# that should be included in the LaTeX output. To get the times font for
+# instance you can specify
+# EXTRA_PACKAGES=times
+# If left blank no extra packages will be included.
+# This tag requires that the tag GENERATE_LATEX is set to YES.
+
+EXTRA_PACKAGES = 
+
+# The LATEX_HEADER tag can be used to specify a personal LaTeX header for the
+# generated LaTeX document. The header should contain everything until the first
+# chapter. If it is left blank doxygen will generate a standard header. See
+# section "Doxygen usage" for information on how to let doxygen write the
+# default header to a separate file.
+#
+# Note: Only use a user-defined header if you know what you are doing! The
+# following commands have a special meaning inside the header: $title,
+# $datetime, $date, $doxygenversion, $projectname, $projectnumber. Doxygen will
+# replace them by respectively the title of the page, the current date and time,
+# only the current date, the version number of doxygen, the project name (see
+# PROJECT_NAME), or the project number (see PROJECT_NUMBER).
+# This tag requires that the tag GENERATE_LATEX is set to YES.
+
+LATEX_HEADER = 
+
+# The LATEX_FOOTER tag can be used to specify a personal LaTeX footer for the
+# generated LaTeX document. The footer should contain everything after the last
+# chapter. If it is left blank doxygen will generate a standard footer.
+#
+# Note: Only use a user-defined footer if you know what you are doing!
+# This tag requires that the tag GENERATE_LATEX is set to YES.
+
+LATEX_FOOTER = 
+
+# The LATEX_EXTRA_FILES tag can be used to specify one or more extra images or
+# other source files which should be copied to the LATEX_OUTPUT output
+# directory. Note that the files will be copied as-is; there are no commands or
+# markers available.
+# This tag requires that the tag GENERATE_LATEX is set to YES.
+
+LATEX_EXTRA_FILES = 
+
+# If the PDF_HYPERLINKS tag is set to YES, the LaTeX that is generated is
+# prepared for conversion to PDF (using ps2pdf or pdflatex). The PDF file will
+# contain links (just like the HTML output) instead of page references. This
+# makes the output suitable for online browsing using a PDF viewer.
+# The default value is: YES.
+# This tag requires that the tag GENERATE_LATEX is set to YES.
+
+PDF_HYPERLINKS = YES
+
+# If the LATEX_PDFLATEX tag is set to YES, doxygen will use pdflatex to generate
+# the PDF file directly from the LaTeX files. Set this option to YES to get a
+# higher quality PDF documentation.
+# The default value is: YES.
+# This tag requires that the tag GENERATE_LATEX is set to YES.
+
+USE_PDFLATEX = YES
+
+# If the LATEX_BATCHMODE tag is set to YES, doxygen will add the \batchmode
+# command to the generated LaTeX files. This will instruct LaTeX to keep running
+# if errors occur, instead of asking the user for help. This option is also used
+# when generating formulas in HTML.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_LATEX is set to YES.
+
+LATEX_BATCHMODE = NO
+
+# If the LATEX_HIDE_INDICES tag is set to YES then doxygen will not include the
+# index chapters (such as File Index, Compound Index, etc.) in the output.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_LATEX is set to YES.
+
+LATEX_HIDE_INDICES = NO
+
+# If the LATEX_SOURCE_CODE tag is set to YES then doxygen will include source
+# code with syntax highlighting in the LaTeX output.
+#
+# Note that which sources are shown also depends on other settings such as
+# SOURCE_BROWSER.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_LATEX is set to YES.
+
+LATEX_SOURCE_CODE = NO
+
+# The LATEX_BIB_STYLE tag can be used to specify the style to use for the
+# bibliography, e.g. plainnat, or ieeetr. See
+# http://en.wikipedia.org/wiki/BibTeX and \cite for more info.
+# The default value is: plain.
+# This tag requires that the tag GENERATE_LATEX is set to YES.
+
+LATEX_BIB_STYLE = plain
+
+#---------------------------------------------------------------------------
+# Configuration options related to the RTF output
+#---------------------------------------------------------------------------
+
+# If the GENERATE_RTF tag is set to YES doxygen will generate RTF output. The
+# RTF output is optimized for Word 97 and may not look too pretty with other RTF
+# readers/editors.
+# The default value is: NO.
+
+GENERATE_RTF = NO
+
+# The RTF_OUTPUT tag is used to specify where the RTF docs will be put. If a
+# relative path is entered the value of OUTPUT_DIRECTORY will be put in front of
+# it.
+# The default directory is: rtf.
+# This tag requires that the tag GENERATE_RTF is set to YES.
+
+RTF_OUTPUT = rtf
+
+# If the COMPACT_RTF tag is set to YES doxygen generates more compact RTF
+# documents. This may be useful for small projects and may help to save some
+# trees in general.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_RTF is set to YES.
+
+COMPACT_RTF = NO
+
+# If the RTF_HYPERLINKS tag is set to YES, the RTF that is generated will
+# contain hyperlink fields. The RTF file will contain links (just like the HTML
+# output) instead of page references. This makes the output suitable for online
+# browsing using Word or some other Word compatible readers that support those
+# fields.
+#
+# Note: WordPad (write) and others do not support links.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_RTF is set to YES.
+
+RTF_HYPERLINKS = NO
+
+# Load stylesheet definitions from file. Syntax is similar to doxygen's config
+# file, i.e. a series of assignments. You only have to provide replacements,
+# missing definitions are set to their default value.
+#
+# See also section "Doxygen usage" for information on how to generate the
+# default style sheet that doxygen normally uses.
+# This tag requires that the tag GENERATE_RTF is set to YES.
+
+RTF_STYLESHEET_FILE = 
+
+# Set optional variables used in the generation of an RTF document. Syntax is
+# similar to doxygen's config file. A template extensions file can be generated
+# using doxygen -e rtf extensionFile.
+# This tag requires that the tag GENERATE_RTF is set to YES.
+
+RTF_EXTENSIONS_FILE = 
+
+#---------------------------------------------------------------------------
+# Configuration options related to the man page output
+#---------------------------------------------------------------------------
+
+# If the GENERATE_MAN tag is set to YES doxygen will generate man pages for
+# classes and files.
+# The default value is: NO.
+
+GENERATE_MAN = NO
+
+# The MAN_OUTPUT tag is used to specify where the man pages will be put. If a
+# relative path is entered the value of OUTPUT_DIRECTORY will be put in front of
+# it. A directory man3 will be created inside the directory specified by
+# MAN_OUTPUT.
+# The default directory is: man.
+# This tag requires that the tag GENERATE_MAN is set to YES.
+
+MAN_OUTPUT = man
+
+# The MAN_EXTENSION tag determines the extension that is added to the generated
+# man pages. In case the manual section does not start with a number, the number
+# 3 is prepended. The dot (.) at the beginning of the MAN_EXTENSION tag is
+# optional.
+# The default value is: .3.
+# This tag requires that the tag GENERATE_MAN is set to YES.
+
+MAN_EXTENSION = .3
+
+# If the MAN_LINKS tag is set to YES and doxygen generates man output, then it
+# will generate one additional man file for each entity documented in the real
+# man page(s). These additional files only source the real man page, but without
+# them the man command would be unable to find the correct page.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_MAN is set to YES.
+
+MAN_LINKS = NO
+
+#---------------------------------------------------------------------------
+# Configuration options related to the XML output
+#---------------------------------------------------------------------------
+
+# If the GENERATE_XML tag is set to YES doxygen will generate an XML file that
+# captures the structure of the code including all documentation.
+# The default value is: NO.
+
+GENERATE_XML = NO
+
+# The XML_OUTPUT tag is used to specify where the XML pages will be put. If a
+# relative path is entered the value of OUTPUT_DIRECTORY will be put in front of
+# it.
+# The default directory is: xml.
+# This tag requires that the tag GENERATE_XML is set to YES.
+
+XML_OUTPUT = xml
+
+# The XML_SCHEMA tag can be used to specify a XML schema, which can be used by a
+# validating XML parser to check the syntax of the XML files.
+# This tag requires that the tag GENERATE_XML is set to YES.
+
+XML_SCHEMA = 
+
+# The XML_DTD tag can be used to specify a XML DTD, which can be used by a
+# validating XML parser to check the syntax of the XML files.
+# This tag requires that the tag GENERATE_XML is set to YES.
+
+XML_DTD = 
+
+# If the XML_PROGRAMLISTING tag is set to YES doxygen will dump the program
+# listings (including syntax highlighting and cross-referencing information) to
+# the XML output. Note that enabling this will significantly increase the size
+# of the XML output.
+# The default value is: YES.
+# This tag requires that the tag GENERATE_XML is set to YES.
+
+XML_PROGRAMLISTING = YES
+
+#---------------------------------------------------------------------------
+# Configuration options related to the DOCBOOK output
+#---------------------------------------------------------------------------
+
+# If the GENERATE_DOCBOOK tag is set to YES doxygen will generate Docbook files
+# that can be used to generate PDF.
+# The default value is: NO.
+
+GENERATE_DOCBOOK = NO
+
+# The DOCBOOK_OUTPUT tag is used to specify where the Docbook pages will be put.
+# If a relative path is entered the value of OUTPUT_DIRECTORY will be put in
+# front of it.
+# The default directory is: docbook.
+# This tag requires that the tag GENERATE_DOCBOOK is set to YES.
+
+DOCBOOK_OUTPUT = docbook
+
+#---------------------------------------------------------------------------
+# Configuration options for the AutoGen Definitions output
+#---------------------------------------------------------------------------
+
+# If the GENERATE_AUTOGEN_DEF tag is set to YES doxygen will generate an AutoGen
+# Definitions (see http://autogen.sf.net) file that captures the structure of
+# the code including all documentation. Note that this feature is still
+# experimental and incomplete at the moment.
+# The default value is: NO.
+
+GENERATE_AUTOGEN_DEF = NO
+
+#---------------------------------------------------------------------------
+# Configuration options related to the Perl module output
+#---------------------------------------------------------------------------
+
+# If the GENERATE_PERLMOD tag is set to YES doxygen will generate a Perl module
+# file that captures the structure of the code including all documentation.
+#
+# Note that this feature is still experimental and incomplete at the moment.
+# The default value is: NO.
+
+GENERATE_PERLMOD = NO
+
+# If the PERLMOD_LATEX tag is set to YES doxygen will generate the necessary
+# Makefile rules, Perl scripts and LaTeX code to be able to generate PDF and DVI
+# output from the Perl module output.
+# The default value is: NO.
+# This tag requires that the tag GENERATE_PERLMOD is set to YES.
+
+PERLMOD_LATEX = NO
+
+# If the PERLMOD_PRETTY tag is set to YES the Perl module output will be nicely
+# formatted so it can be parsed by a human reader. This is useful if you want to
+# understand what is going on. On the other hand, if this tag is set to NO the
+# size of the Perl module output will be much smaller and Perl will parse it
+# just the same.
+# The default value is: YES.
+# This tag requires that the tag GENERATE_PERLMOD is set to YES.
+
+PERLMOD_PRETTY = YES
+
+# The names of the make variables in the generated doxyrules.make file are
+# prefixed with the string contained in PERLMOD_MAKEVAR_PREFIX. This is useful
+# so different doxyrules.make files included by the same Makefile don't
+# overwrite each other's variables.
+# This tag requires that the tag GENERATE_PERLMOD is set to YES.
+
+PERLMOD_MAKEVAR_PREFIX = 
+
+#---------------------------------------------------------------------------
+# Configuration options related to the preprocessor
+#---------------------------------------------------------------------------
+
+# If the ENABLE_PREPROCESSING tag is set to YES doxygen will evaluate all
+# C-preprocessor directives found in the sources and include files.
+# The default value is: YES.
+
+ENABLE_PREPROCESSING = YES
+
+# If the MACRO_EXPANSION tag is set to YES doxygen will expand all macro names
+# in the source code. If set to NO only conditional compilation will be
+# performed. Macro expansion can be done in a controlled way by setting
+# EXPAND_ONLY_PREDEF to YES.
+# The default value is: NO.
+# This tag requires that the tag ENABLE_PREPROCESSING is set to YES.
+
+MACRO_EXPANSION = NO
+
+# If the EXPAND_ONLY_PREDEF and MACRO_EXPANSION tags are both set to YES then
+# the macro expansion is limited to the macros specified with the PREDEFINED and
+# EXPAND_AS_DEFINED tags.
+# The default value is: NO.
+# This tag requires that the tag ENABLE_PREPROCESSING is set to YES.
+
+EXPAND_ONLY_PREDEF = NO
+
+# If the SEARCH_INCLUDES tag is set to YES the includes files in the
+# INCLUDE_PATH will be searched if a #include is found.
+# The default value is: YES.
+# This tag requires that the tag ENABLE_PREPROCESSING is set to YES.
+
+SEARCH_INCLUDES = YES
+
+# The INCLUDE_PATH tag can be used to specify one or more directories that
+# contain include files that are not input files but should be processed by the
+# preprocessor.
+# This tag requires that the tag SEARCH_INCLUDES is set to YES.
+
+INCLUDE_PATH = 
+
+# You can use the INCLUDE_FILE_PATTERNS tag to specify one or more wildcard
+# patterns (like *.h and *.hpp) to filter out the header-files in the
+# directories. If left blank, the patterns specified with FILE_PATTERNS will be
+# used.
+# This tag requires that the tag ENABLE_PREPROCESSING is set to YES.
+
+INCLUDE_FILE_PATTERNS = 
+
+# The PREDEFINED tag can be used to specify one or more macro names that are
+# defined before the preprocessor is started (similar to the -D option of e.g.
+# gcc). The argument of the tag is a list of macros of the form: name or
+# name=definition (no spaces). If the definition and the "=" are omitted, "=1"
+# is assumed. To prevent a macro definition from being undefined via #undef or
+# recursively expanded use the := operator instead of the = operator.
+# This tag requires that the tag ENABLE_PREPROCESSING is set to YES.
+
+PREDEFINED = 
+
+# If the MACRO_EXPANSION and EXPAND_ONLY_PREDEF tags are set to YES then this
+# tag can be used to specify a list of macro names that should be expanded. The
+# macro definition that is found in the sources will be used. Use the PREDEFINED
+# tag if you want to use a different macro definition that overrules the
+# definition found in the source code.
+# This tag requires that the tag ENABLE_PREPROCESSING is set to YES.
+
+EXPAND_AS_DEFINED = 
+
+# If the SKIP_FUNCTION_MACROS tag is set to YES then doxygen's preprocessor will
+# remove all refrences to function-like macros that are alone on a line, have an
+# all uppercase name, and do not end with a semicolon. Such function macros are
+# typically used for boiler-plate code, and will confuse the parser if not
+# removed.
+# The default value is: YES.
+# This tag requires that the tag ENABLE_PREPROCESSING is set to YES.
+
+SKIP_FUNCTION_MACROS = YES
+
+#---------------------------------------------------------------------------
+# Configuration options related to external references
+#---------------------------------------------------------------------------
+
+# The TAGFILES tag can be used to specify one or more tag files. For each tag
+# file the location of the external documentation should be added. The format of
+# a tag file without this location is as follows:
+# TAGFILES = file1 file2 ...
+# Adding location for the tag files is done as follows:
+# TAGFILES = file1=loc1 "file2 = loc2" ...
+# where loc1 and loc2 can be relative or absolute paths or URLs. See the
+# section "Linking to external documentation" for more information about the use
+# of tag files.
+# Note: Each tag file must have an unique name (where the name does NOT include
+# the path). If a tag file is not located in the directory in which doxygen is
+# run, you must also specify the path to the tagfile here.
+
+TAGFILES = 
+
+# When a file name is specified after GENERATE_TAGFILE, doxygen will create a
+# tag file that is based on the input files it reads. See section "Linking to
+# external documentation" for more information about the usage of tag files.
+
+GENERATE_TAGFILE = 
+
+# If the ALLEXTERNALS tag is set to YES all external class will be listed in the
+# class index. If set to NO only the inherited external classes will be listed.
+# The default value is: NO.
+
+ALLEXTERNALS = NO
+
+# If the EXTERNAL_GROUPS tag is set to YES all external groups will be listed in
+# the modules index. If set to NO, only the current project's groups will be
+# listed.
+# The default value is: YES.
+
+EXTERNAL_GROUPS = YES
+
+# If the EXTERNAL_PAGES tag is set to YES all external pages will be listed in
+# the related pages index. If set to NO, only the current project's pages will
+# be listed.
+# The default value is: YES.
+
+EXTERNAL_PAGES = YES
+
+# The PERL_PATH should be the absolute path and name of the perl script
+# interpreter (i.e. the result of 'which perl').
+# The default file (with absolute path) is: /usr/bin/perl.
+
+PERL_PATH = /usr/bin/perl
+
+#---------------------------------------------------------------------------
+# Configuration options related to the dot tool
+#---------------------------------------------------------------------------
+
+# If the CLASS_DIAGRAMS tag is set to YES doxygen will generate a class diagram
+# (in HTML and LaTeX) for classes with base or super classes. Setting the tag to
+# NO turns the diagrams off. Note that this option also works with HAVE_DOT
+# disabled, but it is recommended to install and use dot, since it yields more
+# powerful graphs.
+# The default value is: YES.
+
+CLASS_DIAGRAMS = YES
+
+# You can define message sequence charts within doxygen comments using the \msc
+# command. Doxygen will then run the mscgen tool (see:
+# http://www.mcternan.me.uk/mscgen/)) to produce the chart and insert it in the
+# documentation. The MSCGEN_PATH tag allows you to specify the directory where
+# the mscgen tool resides. If left empty the tool is assumed to be found in the
+# default search path.
+
+MSCGEN_PATH = 
+
+# You can include diagrams made with dia in doxygen documentation. Doxygen will
+# then run dia to produce the diagram and insert it in the documentation. The
+# DIA_PATH tag allows you to specify the directory where the dia binary resides.
+# If left empty dia is assumed to be found in the default search path.
+
+DIA_PATH = 
+
+# If set to YES, the inheritance and collaboration graphs will hide inheritance
+# and usage relations if the target is undocumented or is not a class.
+# The default value is: YES.
+
+HIDE_UNDOC_RELATIONS = YES
+
+# If you set the HAVE_DOT tag to YES then doxygen will assume the dot tool is
+# available from the path. This tool is part of Graphviz (see:
+# http://www.graphviz.org/), a graph visualization toolkit from AT&T and Lucent
+# Bell Labs. The other options in this section have no effect if this option is
+# set to NO
+# The default value is: NO.
+
+HAVE_DOT = NO
+
+# The DOT_NUM_THREADS specifies the number of dot invocations doxygen is allowed
+# to run in parallel. When set to 0 doxygen will base this on the number of
+# processors available in the system. You can set it explicitly to a value
+# larger than 0 to get control over the balance between CPU load and processing
+# speed.
+# Minimum value: 0, maximum value: 32, default value: 0.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+DOT_NUM_THREADS = 0
+
+# When you want a differently looking font n the dot files that doxygen
+# generates you can specify the font name using DOT_FONTNAME. You need to make
+# sure dot is able to find the font, which can be done by putting it in a
+# standard location or by setting the DOTFONTPATH environment variable or by
+# setting DOT_FONTPATH to the directory containing the font.
+# The default value is: Helvetica.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+DOT_FONTNAME = Helvetica
+
+# The DOT_FONTSIZE tag can be used to set the size (in points) of the font of
+# dot graphs.
+# Minimum value: 4, maximum value: 24, default value: 10.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+DOT_FONTSIZE = 10
+
+# By default doxygen will tell dot to use the default font as specified with
+# DOT_FONTNAME. If you specify a different font using DOT_FONTNAME you can set
+# the path where dot can find it using this tag.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+DOT_FONTPATH = 
+
+# If the CLASS_GRAPH tag is set to YES then doxygen will generate a graph for
+# each documented class showing the direct and indirect inheritance relations.
+# Setting this tag to YES will force the CLASS_DIAGRAMS tag to NO.
+# The default value is: YES.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+CLASS_GRAPH = YES
+
+# If the COLLABORATION_GRAPH tag is set to YES then doxygen will generate a
+# graph for each documented class showing the direct and indirect implementation
+# dependencies (inheritance, containment, and class references variables) of the
+# class with other documented classes.
+# The default value is: YES.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+COLLABORATION_GRAPH = YES
+
+# If the GROUP_GRAPHS tag is set to YES then doxygen will generate a graph for
+# groups, showing the direct groups dependencies.
+# The default value is: YES.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+GROUP_GRAPHS = YES
+
+# If the UML_LOOK tag is set to YES doxygen will generate inheritance and
+# collaboration diagrams in a style similar to the OMG's Unified Modeling
+# Language.
+# The default value is: NO.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+UML_LOOK = NO
+
+# If the UML_LOOK tag is enabled, the fields and methods are shown inside the
+# class node. If there are many fields or methods and many nodes the graph may
+# become too big to be useful. The UML_LIMIT_NUM_FIELDS threshold limits the
+# number of items for each type to make the size more manageable. Set this to 0
+# for no limit. Note that the threshold may be exceeded by 50% before the limit
+# is enforced. So when you set the threshold to 10, up to 15 fields may appear,
+# but if the number exceeds 15, the total amount of fields shown is limited to
+# 10.
+# Minimum value: 0, maximum value: 100, default value: 10.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+UML_LIMIT_NUM_FIELDS = 10
+
+# If the TEMPLATE_RELATIONS tag is set to YES then the inheritance and
+# collaboration graphs will show the relations between templates and their
+# instances.
+# The default value is: NO.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+TEMPLATE_RELATIONS = NO
+
+# If the INCLUDE_GRAPH, ENABLE_PREPROCESSING and SEARCH_INCLUDES tags are set to
+# YES then doxygen will generate a graph for each documented file showing the
+# direct and indirect include dependencies of the file with other documented
+# files.
+# The default value is: YES.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+INCLUDE_GRAPH = YES
+
+# If the INCLUDED_BY_GRAPH, ENABLE_PREPROCESSING and SEARCH_INCLUDES tags are
+# set to YES then doxygen will generate a graph for each documented file showing
+# the direct and indirect include dependencies of the file with other documented
+# files.
+# The default value is: YES.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+INCLUDED_BY_GRAPH = YES
+
+# If the CALL_GRAPH tag is set to YES then doxygen will generate a call
+# dependency graph for every global function or class method.
+#
+# Note that enabling this option will significantly increase the time of a run.
+# So in most cases it will be better to enable call graphs for selected
+# functions only using the \callgraph command.
+# The default value is: NO.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+CALL_GRAPH = NO
+
+# If the CALLER_GRAPH tag is set to YES then doxygen will generate a caller
+# dependency graph for every global function or class method.
+#
+# Note that enabling this option will significantly increase the time of a run.
+# So in most cases it will be better to enable caller graphs for selected
+# functions only using the \callergraph command.
+# The default value is: NO.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+CALLER_GRAPH = NO
+
+# If the GRAPHICAL_HIERARCHY tag is set to YES then doxygen will graphical
+# hierarchy of all classes instead of a textual one.
+# The default value is: YES.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+GRAPHICAL_HIERARCHY = YES
+
+# If the DIRECTORY_GRAPH tag is set to YES then doxygen will show the
+# dependencies a directory has on other directories in a graphical way. The
+# dependency relations are determined by the #include relations between the
+# files in the directories.
+# The default value is: YES.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+DIRECTORY_GRAPH = YES
+
+# The DOT_IMAGE_FORMAT tag can be used to set the image format of the images
+# generated by dot.
+# Note: If you choose svg you need to set HTML_FILE_EXTENSION to xhtml in order
+# to make the SVG files visible in IE 9+ (other browsers do not have this
+# requirement).
+# Possible values are: png, jpg, gif and svg.
+# The default value is: png.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+DOT_IMAGE_FORMAT = png
+
+# If DOT_IMAGE_FORMAT is set to svg, then this option can be set to YES to
+# enable generation of interactive SVG images that allow zooming and panning.
+#
+# Note that this requires a modern browser other than Internet Explorer. Tested
+# and working are Firefox, Chrome, Safari, and Opera.
+# Note: For IE 9+ you need to set HTML_FILE_EXTENSION to xhtml in order to make
+# the SVG files visible. Older versions of IE do not have SVG support.
+# The default value is: NO.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+INTERACTIVE_SVG = NO
+
+# The DOT_PATH tag can be used to specify the path where the dot tool can be
+# found. If left blank, it is assumed the dot tool can be found in the path.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+DOT_PATH = 
+
+# The DOTFILE_DIRS tag can be used to specify one or more directories that
+# contain dot files that are included in the documentation (see the \dotfile
+# command).
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+DOTFILE_DIRS = 
+
+# The MSCFILE_DIRS tag can be used to specify one or more directories that
+# contain msc files that are included in the documentation (see the \mscfile
+# command).
+
+MSCFILE_DIRS = 
+
+# The DIAFILE_DIRS tag can be used to specify one or more directories that
+# contain dia files that are included in the documentation (see the \diafile
+# command).
+
+DIAFILE_DIRS = 
+
+# The DOT_GRAPH_MAX_NODES tag can be used to set the maximum number of nodes
+# that will be shown in the graph. If the number of nodes in a graph becomes
+# larger than this value, doxygen will truncate the graph, which is visualized
+# by representing a node as a red box. Note that doxygen if the number of direct
+# children of the root node in a graph is already larger than
+# DOT_GRAPH_MAX_NODES then the graph will not be shown at all. Also note that
+# the size of a graph can be further restricted by MAX_DOT_GRAPH_DEPTH.
+# Minimum value: 0, maximum value: 10000, default value: 50.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+DOT_GRAPH_MAX_NODES = 50
+
+# The MAX_DOT_GRAPH_DEPTH tag can be used to set the maximum depth of the graphs
+# generated by dot. A depth value of 3 means that only nodes reachable from the
+# root by following a path via at most 3 edges will be shown. Nodes that lay
+# further from the root node will be omitted. Note that setting this option to 1
+# or 2 may greatly reduce the computation time needed for large code bases. Also
+# note that the size of a graph can be further restricted by
+# DOT_GRAPH_MAX_NODES. Using a depth of 0 means no depth restriction.
+# Minimum value: 0, maximum value: 1000, default value: 0.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+MAX_DOT_GRAPH_DEPTH = 0
+
+# Set the DOT_TRANSPARENT tag to YES to generate images with a transparent
+# background. This is disabled by default, because dot on Windows does not seem
+# to support this out of the box.
+#
+# Warning: Depending on the platform used, enabling this option may lead to
+# badly anti-aliased labels on the edges of a graph (i.e. they become hard to
+# read).
+# The default value is: NO.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+DOT_TRANSPARENT = NO
+
+# Set the DOT_MULTI_TARGETS tag to YES allow dot to generate multiple output
+# files in one run (i.e. multiple -o and -T options on the command line). This
+# makes dot run faster, but since only newer versions of dot (>1.8.10) support
+# this, this feature is disabled by default.
+# The default value is: NO.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+DOT_MULTI_TARGETS = NO
+
+# If the GENERATE_LEGEND tag is set to YES doxygen will generate a legend page
+# explaining the meaning of the various boxes and arrows in the dot generated
+# graphs.
+# The default value is: YES.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+GENERATE_LEGEND = YES
+
+# If the DOT_CLEANUP tag is set to YES doxygen will remove the intermediate dot
+# files that are used to generate the various graphs.
+# The default value is: YES.
+# This tag requires that the tag HAVE_DOT is set to YES.
+
+DOT_CLEANUP = YES
diff --git a/doxyconf.doxyfile b/doxyconf.doxyfile
new file mode 100644
index 0000000..b100b53
--- /dev/null
+++ b/doxyconf.doxyfile
@@ -0,0 +1,1432 @@
+# Doxyfile 1.6.3
+
+# This file describes the settings to be used by the documentation system
+# doxygen (www.doxygen.org) for a project
+#
+# All text after a hash (#) is considered a comment and will be ignored
+# The format is:
+# TAG = value [value, ...]
+# For lists items can also be appended using:
+# TAG += value [value, ...]
+# Values that contain spaces should be placed between quotes (" ")
+
+#---------------------------------------------------------------------------
+# Project related configuration options
+#---------------------------------------------------------------------------
+
+# This tag specifies the encoding used for all characters in the config file
+# that follow. The default is UTF-8 which is also the encoding used for all
+# text before the first occurrence of this tag. Doxygen uses libiconv (or the
+# iconv built into libc) for the transcoding. See
+# http://www.gnu.org/software/libiconv for the list of possible encodings.
+
+DOXYFILE_ENCODING = UTF-8
+
+# The PROJECT_NAME tag is a single word (or a sequence of words surrounded
+# by quotes) that should identify the project.
+
+PROJECT_NAME = Victor
+
+# The PROJECT_NUMBER tag can be used to enter a project or revision number.
+# This could be handy for archiving the generated documentation or
+# if some version control system is used.
+
+PROJECT_NUMBER =  
+
+# The OUTPUT_DIRECTORY tag is used to specify the (relative or absolute)
+# base path where the generated documentation will be put.
+# If a relative path is entered, it will be relative to the location
+# where doxygen was started. If left blank the current directory will be used.
+
+OUTPUT_DIRECTORY = . 
+
+# If the CREATE_SUBDIRS tag is set to YES, then doxygen will create
+# 4096 sub-directories (in 2 levels) under the output directory of each output
+# format and will distribute the generated files over these directories.
+# Enabling this option can be useful when feeding doxygen a huge amount of
+# source files, where putting all generated files in the same directory would
+# otherwise cause performance problems for the file system.
+
+CREATE_SUBDIRS = NO
+
+# The OUTPUT_LANGUAGE tag is used to specify the language in which all
+# documentation generated by doxygen is written. Doxygen will use this
+# information to generate all constant output in the proper language.
+# The default language is English, other supported languages are:
+# Afrikaans, Arabic, Brazilian, Catalan, Chinese, Chinese-Traditional,
+# Croatian, Czech, Danish, Dutch, Esperanto, Farsi, Finnish, French, German,
+# Greek, Hungarian, Italian, Japanese, Japanese-en (Japanese with English
+# messages), Korean, Korean-en, Lithuanian, Norwegian, Macedonian, Persian,
+# Polish, Portuguese, Romanian, Russian, Serbian, Serbian-Cyrilic, Slovak,
+# Slovene, Spanish, Swedish, Ukrainian, and Vietnamese.
+
+OUTPUT_LANGUAGE = English
+
+# If the BRIEF_MEMBER_DESC tag is set to YES (the default) Doxygen will
+# include brief member descriptions after the members that are listed in
+# the file and class documentation (similar to JavaDoc).
+# Set to NO to disable this.
+
+BRIEF_MEMBER_DESC = YES
+
+# If the REPEAT_BRIEF tag is set to YES (the default) Doxygen will prepend
+# the brief description of a member or function before the detailed description.
+# Note: if both HIDE_UNDOC_MEMBERS and BRIEF_MEMBER_DESC are set to NO, the
+# brief descriptions will be completely suppressed.
+
+REPEAT_BRIEF = YES
+
+# This tag implements a quasi-intelligent brief description abbreviator
+# that is used to form the text in various listings. Each string
+# in this list, if found as the leading text of the brief description, will be
+# stripped from the text and the result after processing the whole list, is
+# used as the annotated text. Otherwise, the brief description is used as-is.
+# If left blank, the following values are used ("$name" is automatically
+# replaced with the name of the entity): "The $name class" "The $name widget"
+# "The $name file" "is" "provides" "specifies" "contains"
+# "represents" "a" "an" "the"
+
+ABBREVIATE_BRIEF =
+
+# If the ALWAYS_DETAILED_SEC and REPEAT_BRIEF tags are both set to YES then
+# Doxygen will generate a detailed section even if there is only a brief
+# description.
+
+ALWAYS_DETAILED_SEC = NO
+
+# If the INLINE_INHERITED_MEMB tag is set to YES, doxygen will show all
+# inherited members of a class in the documentation of that class as if those
+# members were ordinary class members. Constructors, destructors and assignment
+# operators of the base classes will not be shown.
+
+INLINE_INHERITED_MEMB = YES
+
+# If the FULL_PATH_NAMES tag is set to YES then Doxygen will prepend the full
+# path before files name in the file list and in the header files. If set
+# to NO the shortest path that makes the file name unique will be used.
+
+FULL_PATH_NAMES = YES
+
+# If the FULL_PATH_NAMES tag is set to YES then the STRIP_FROM_PATH tag
+# can be used to strip a user-defined part of the path. Stripping is
+# only done if one of the specified strings matches the left-hand part of
+# the path. The tag can be used to show relative paths in the file list.
+# If left blank the directory from which doxygen is run is used as the
+# path to strip.
+
+STRIP_FROM_PATH =
+
+# The STRIP_FROM_INC_PATH tag can be used to strip a user-defined part of
+# the path mentioned in the documentation of a class, which tells
+# the reader which header file to include in order to use a class.
+# If left blank only the name of the header file containing the class
+# definition is used. Otherwise one should specify the include paths that
+# are normally passed to the compiler using the -I flag.
+
+STRIP_FROM_INC_PATH =
+
+# If the SHORT_NAMES tag is set to YES, doxygen will generate much shorter
+# (but less readable) file names. This can be useful is your file systems
+# doesn't support long names like on DOS, Mac, or CD-ROM.
+
+SHORT_NAMES = NO
+
+# If the JAVADOC_AUTOBRIEF tag is set to YES then Doxygen
+# will interpret the first line (until the first dot) of a JavaDoc-style
+# comment as the brief description. If set to NO, the JavaDoc
+# comments will behave just like regular Qt-style comments
+# (thus requiring an explicit @brief command for a brief description.)
+
+JAVADOC_AUTOBRIEF = NO
+
+# If the QT_AUTOBRIEF tag is set to YES then Doxygen will
+# interpret the first line (until the first dot) of a Qt-style
+# comment as the brief description. If set to NO, the comments
+# will behave just like regular Qt-style comments (thus requiring
+# an explicit \brief command for a brief description.)
+
+QT_AUTOBRIEF = NO
+
+# The MULTILINE_CPP_IS_BRIEF tag can be set to YES to make Doxygen
+# treat a multi-line C++ special comment block (i.e. a block of //! or ///
+# comments) as a brief description. This used to be the default behaviour.
+# The new default is to treat a multi-line C++ comment block as a detailed
+# description. Set this tag to YES if you prefer the old behaviour instead.
+
+MULTILINE_CPP_IS_BRIEF = NO
+
+# If the INHERIT_DOCS tag is set to YES (the default) then an undocumented
+# member inherits the documentation from any documented member that it
+# re-implements.
+
+INHERIT_DOCS = YES
+
+# If the SEPARATE_MEMBER_PAGES tag is set to YES, then doxygen will produce
+# a new page for each member. If set to NO, the documentation of a member will
+# be part of the file/class/namespace that contains it.
+
+SEPARATE_MEMBER_PAGES = NO
+
+# The TAB_SIZE tag can be used to set the number of spaces in a tab.
+# Doxygen uses this value to replace tabs by spaces in code fragments.
+
+TAB_SIZE = 8
+
+# This tag can be used to specify a number of aliases that acts
+# as commands in the documentation. An alias has the form "name=value".
+# For example adding "sideeffect=\par Side Effects:\n" will allow you to
+# put the command \sideeffect (or @sideeffect) in the documentation, which
+# will result in a user-defined paragraph with heading "Side Effects:".
+# You can put \n's in the value part of an alias to insert newlines.
+
+ALIASES =
+
+# Set the OPTIMIZE_OUTPUT_FOR_C tag to YES if your project consists of C
+# sources only. Doxygen will then generate output that is more tailored for C.
+# For instance, some of the names that are used will be different. The list
+# of all members will be omitted, etc.
+
+OPTIMIZE_OUTPUT_FOR_C = YES
+
+# Set the OPTIMIZE_OUTPUT_JAVA tag to YES if your project consists of Java
+# sources only. Doxygen will then generate output that is more tailored for
+# Java. For instance, namespaces will be presented as packages, qualified
+# scopes will look different, etc.
+
+OPTIMIZE_OUTPUT_JAVA = NO
+
+# Set the OPTIMIZE_FOR_FORTRAN tag to YES if your project consists of Fortran
+# sources only. Doxygen will then generate output that is more tailored for
+# Fortran.
+
+OPTIMIZE_FOR_FORTRAN = NO
+
+# Set the OPTIMIZE_OUTPUT_VHDL tag to YES if your project consists of VHDL
+# sources. Doxygen will then generate output that is tailored for
+# VHDL.
+
+OPTIMIZE_OUTPUT_VHDL = NO
+
+# Doxygen selects the parser to use depending on the extension of the files it parses.
+# With this tag you can assign which parser to use for a given extension.
+# Doxygen has a built-in mapping, but you can override or extend it using this tag.
+# The format is ext=language, where ext is a file extension, and language is one of
+# the parsers supported by doxygen: IDL, Java, Javascript, C#, C, C++, D, PHP,
+# Objective-C, Python, Fortran, VHDL, C, C++. For instance to make doxygen treat
+# .inc files as Fortran files (default is PHP), and .f files as C (default is Fortran),
+# use: inc=Fortran f=C. Note that for custom extensions you also need to set FILE_PATTERNS otherwise the files are not read by doxygen.
+
+EXTENSION_MAPPING =
+
+# If you use STL classes (i.e. std::string, std::vector, etc.) but do not want
+# to include (a tag file for) the STL sources as input, then you should
+# set this tag to YES in order to let doxygen match functions declarations and
+# definitions whose arguments contain STL classes (e.g. func(std::string); v.s.
+# func(std::string) {}). This also make the inheritance and collaboration
+# diagrams that involve STL classes more complete and accurate.
+
+BUILTIN_STL_SUPPORT = NO
+
+# If you use Microsoft's C++/CLI language, you should set this option to YES to
+# enable parsing support.
+
+CPP_CLI_SUPPORT = NO
+
+# Set the SIP_SUPPORT tag to YES if your project consists of sip sources only.
+# Doxygen will parse them like normal C++ but will assume all classes use public
+# instead of private inheritance when no explicit protection keyword is present.
+
+SIP_SUPPORT = NO
+
+# For Microsoft's IDL there are propget and propput attributes to indicate getter
+# and setter methods for a property. Setting this option to YES (the default)
+# will make doxygen to replace the get and set methods by a property in the
+# documentation. This will only work if the methods are indeed getting or
+# setting a simple type. If this is not the case, or you want to show the
+# methods anyway, you should set this option to NO.
+
+IDL_PROPERTY_SUPPORT = YES
+
+# If member grouping is used in the documentation and the DISTRIBUTE_GROUP_DOC
+# tag is set to YES, then doxygen will reuse the documentation of the first
+# member in the group (if any) for the other members of the group. By default
+# all members of a group must be documented explicitly.
+
+DISTRIBUTE_GROUP_DOC = NO
+
+# Set the SUBGROUPING tag to YES (the default) to allow class member groups of
+# the same type (for instance a group of public functions) to be put as a
+# subgroup of that type (e.g. under the Public Functions section). Set it to
+# NO to prevent subgrouping. Alternatively, this can be done per class using
+# the \nosubgrouping command.
+
+SUBGROUPING = YES
+
+# When TYPEDEF_HIDES_STRUCT is enabled, a typedef of a struct, union, or enum
+# is documented as struct, union, or enum with the name of the typedef. So
+# typedef struct TypeS {} TypeT, will appear in the documentation as a struct
+# with name TypeT. When disabled the typedef will appear as a member of a file,
+# namespace, or class. And the struct will be named TypeS. This can typically
+# be useful for C code in case the coding convention dictates that all compound
+# types are typedef'ed and only the typedef is referenced, never the tag name.
+
+TYPEDEF_HIDES_STRUCT = YES
+
+# The SYMBOL_CACHE_SIZE determines the size of the internal cache use to
+# determine which symbols to keep in memory and which to flush to disk.
+# When the cache is full, less often used symbols will be written to disk.
+# For small to medium size projects (<1000 input files) the default value is
+# probably good enough. For larger projects a too small cache size can cause
+# doxygen to be busy swapping symbols to and from disk most of the time
+# causing a significant performance penality.
+# If the system has enough physical memory increasing the cache will improve the
+# performance by keeping more symbols in memory. Note that the value works on
+# a logarithmic scale so increasing the size by one will rougly double the
+# memory usage. The cache size is given by this formula:
+# 2^(16+SYMBOL_CACHE_SIZE). The valid range is 0..9, the default is 0,
+# corresponding to a cache size of 2^16 = 65536 symbols
+
+SYMBOL_CACHE_SIZE = 0
+
+#---------------------------------------------------------------------------
+# Build related configuration options
+#---------------------------------------------------------------------------
+
+# If the EXTRACT_ALL tag is set to YES doxygen will assume all entities in
+# documentation are documented, even if no documentation was available.
+# Private class members and static file members will be hidden unless
+# the EXTRACT_PRIVATE and EXTRACT_STATIC tags are set to YES
+
+EXTRACT_ALL = NO
+
+# If the EXTRACT_PRIVATE tag is set to YES all private members of a class
+# will be included in the documentation.
+
+EXTRACT_PRIVATE = NO
+
+# If the EXTRACT_STATIC tag is set to YES all static members of a file
+# will be included in the documentation.
+
+EXTRACT_STATIC = NO
+
+# If the EXTRACT_LOCAL_CLASSES tag is set to YES classes (and structs)
+# defined locally in source files will be included in the documentation.
+# If set to NO only classes defined in header files are included.
+
+EXTRACT_LOCAL_CLASSES = YES
+
+# This flag is only useful for Objective-C code. When set to YES local
+# methods, which are defined in the implementation section but not in
+# the interface are included in the documentation.
+# If set to NO (the default) only methods in the interface are included.
+
+EXTRACT_LOCAL_METHODS = NO
+
+# If this flag is set to YES, the members of anonymous namespaces will be
+# extracted and appear in the documentation as a namespace called
+# 'anonymous_namespace{file}', where file will be replaced with the base
+# name of the file that contains the anonymous namespace. By default
+# anonymous namespace are hidden.
+
+EXTRACT_ANON_NSPACES = NO
+
+# If the HIDE_UNDOC_MEMBERS tag is set to YES, Doxygen will hide all
+# undocumented members of documented classes, files or namespaces.
+# If set to NO (the default) these members will be included in the
+# various overviews, but no documentation section is generated.
+# This option has no effect if EXTRACT_ALL is enabled.
+
+HIDE_UNDOC_MEMBERS = YES
+
+# If the HIDE_UNDOC_CLASSES tag is set to YES, Doxygen will hide all
+# undocumented classes that are normally visible in the class hierarchy.
+# If set to NO (the default) these classes will be included in the various
+# overviews. This option has no effect if EXTRACT_ALL is enabled.
+
+HIDE_UNDOC_CLASSES = YES
+
+# If the HIDE_FRIEND_COMPOUNDS tag is set to YES, Doxygen will hide all
+# friend (class|struct|union) declarations.
+# If set to NO (the default) these declarations will be included in the
+# documentation.
+
+HIDE_FRIEND_COMPOUNDS = NO
+
+# If the HIDE_IN_BODY_DOCS tag is set to YES, Doxygen will hide any
+# documentation blocks found inside the body of a function.
+# If set to NO (the default) these blocks will be appended to the
+# function's detailed documentation block.
+
+HIDE_IN_BODY_DOCS = NO
+
+# The INTERNAL_DOCS tag determines if documentation
+# that is typed after a \internal command is included. If the tag is set
+# to NO (the default) then the documentation will be excluded.
+# Set it to YES to include the internal documentation.
+
+INTERNAL_DOCS = NO
+
+# If the CASE_SENSE_NAMES tag is set to NO then Doxygen will only generate
+# file names in lower-case letters. If set to YES upper-case letters are also
+# allowed. This is useful if you have classes or files whose names only differ
+# in case and if your file system supports case sensitive file names. Windows
+# and Mac users are advised to set this option to NO.
+
+CASE_SENSE_NAMES = YES
+
+# If the HIDE_SCOPE_NAMES tag is set to NO (the default) then Doxygen
+# will show members with their full class and namespace scopes in the
+# documentation. If set to YES the scope will be hidden.
+
+HIDE_SCOPE_NAMES = YES
+
+# If the SHOW_INCLUDE_FILES tag is set to YES (the default) then Doxygen
+# will put a list of the files that are included by a file in the documentation
+# of that file.
+
+SHOW_INCLUDE_FILES = NO
+
+# If the FORCE_LOCAL_INCLUDES tag is set to YES then Doxygen
+# will list include files with double quotes in the documentation
+# rather than with sharp brackets.
+
+FORCE_LOCAL_INCLUDES = NO
+
+# If the INLINE_INFO tag is set to YES (the default) then a tag [inline]
+# is inserted in the documentation for inline members.
+
+INLINE_INFO = NO
+
+# If the SORT_MEMBER_DOCS tag is set to YES (the default) then doxygen
+# will sort the (detailed) documentation of file and class members
+# alphabetically by member name. If set to NO the members will appear in
+# declaration order.
+
+SORT_MEMBER_DOCS = YES
+
+# If the SORT_BRIEF_DOCS tag is set to YES then doxygen will sort the
+# brief documentation of file, namespace and class members alphabetically
+# by member name. If set to NO (the default) the members will appear in
+# declaration order.
+
+SORT_BRIEF_DOCS = YES
+
+# If the SORT_MEMBERS_CTORS_1ST tag is set to YES then doxygen will sort the (brief and detailed) documentation of class members so that constructors and destructors are listed first. If set to NO (the default) the constructors will appear in the respective orders defined by SORT_MEMBER_DOCS and SORT_BRIEF_DOCS. This tag will be ignored for brief docs if SORT_BRIEF_DOCS is set to NO and ignored for detailed docs if SORT_MEMBER_DOCS is set to NO.
+
+SORT_MEMBERS_CTORS_1ST = YES
+
+# If the SORT_GROUP_NAMES tag is set to YES then doxygen will sort the
+# hierarchy of group names into alphabetical order. If set to NO (the default)
+# the group names will appear in their defined order.
+
+SORT_GROUP_NAMES = NO
+
+# If the SORT_BY_SCOPE_NAME tag is set to YES, the class list will be
+# sorted by fully-qualified names, including namespaces. If set to
+# NO (the default), the class list will be sorted only by class name,
+# not including the namespace part.
+# Note: This option is not very useful if HIDE_SCOPE_NAMES is set to YES.
+# Note: This option applies only to the class list, not to the
+# alphabetical list.
+
+SORT_BY_SCOPE_NAME = NO
+
+# The GENERATE_TODOLIST tag can be used to enable (YES) or
+# disable (NO) the todo list. This list is created by putting \todo
+# commands in the documentation.
+
+GENERATE_TODOLIST = NO
+
+# The GENERATE_TESTLIST tag can be used to enable (YES) or
+# disable (NO) the test list. This list is created by putting \test
+# commands in the documentation.
+
+GENERATE_TESTLIST = NO
+
+# The GENERATE_BUGLIST tag can be used to enable (YES) or
+# disable (NO) the bug list. This list is created by putting \bug
+# commands in the documentation.
+
+GENERATE_BUGLIST = NO
+
+# The GENERATE_DEPRECATEDLIST tag can be used to enable (YES) or
+# disable (NO) the deprecated list. This list is created by putting
+# \deprecated commands in the documentation.
+
+GENERATE_DEPRECATEDLIST= NO
+
+# The ENABLED_SECTIONS tag can be used to enable conditional
+# documentation sections, marked by \if sectionname ... \endif.
+
+ENABLED_SECTIONS =
+
+# The MAX_INITIALIZER_LINES tag determines the maximum number of lines
+# the initial value of a variable or define consists of for it to appear in
+# the documentation. If the initializer consists of more lines than specified
+# here it will be hidden. Use a value of 0 to hide initializers completely.
+# The appearance of the initializer of individual variables and defines in the
+# documentation can be controlled using \showinitializer or \hideinitializer
+# command in the documentation regardless of this setting.
+
+MAX_INITIALIZER_LINES = 30
+
+# Set the SHOW_USED_FILES tag to NO to disable the list of files generated
+# at the bottom of the documentation of classes and structs. If set to YES the
+# list will mention the files that were used to generate the documentation.
+
+SHOW_USED_FILES = YES
+
+# If the sources in your project are distributed over multiple directories
+# then setting the SHOW_DIRECTORIES tag to YES will show the directory hierarchy
+# in the documentation. The default is NO.
+
+SHOW_DIRECTORIES = YES
+
+# Set the SHOW_FILES tag to NO to disable the generation of the Files page.
+# This will remove the Files entry from the Quick Index and from the
+# Folder Tree View (if specified). The default is YES.
+
+SHOW_FILES = YES
+
+# Set the SHOW_NAMESPACES tag to NO to disable the generation of the
+# Namespaces page.
+# This will remove the Namespaces entry from the Quick Index
+# and from the Folder Tree View (if specified). The default is YES.
+
+SHOW_NAMESPACES = YES
+
+# The FILE_VERSION_FILTER tag can be used to specify a program or script that
+# doxygen should invoke to get the current version for each file (typically from
+# the version control system). Doxygen will invoke the program by executing (via
+# popen()) the command <command> <input-file>, where <command> is the value of
+# the FILE_VERSION_FILTER tag, and <input-file> is the name of an input file
+# provided by doxygen. Whatever the program writes to standard output
+# is used as the file version. See the manual for examples.
+
+FILE_VERSION_FILTER =
+
+# The LAYOUT_FILE tag can be used to specify a layout file which will be parsed by
+# doxygen. The layout file controls the global structure of the generated output files
+# in an output format independent way. The create the layout file that represents
+# doxygen's defaults, run doxygen with the -l option. You can optionally specify a
+# file name after the option, if omitted DoxygenLayout.xml will be used as the name
+# of the layout file.
+
+LAYOUT_FILE =
+
+#---------------------------------------------------------------------------
+# configuration options related to warning and progress messages
+#---------------------------------------------------------------------------
+
+# The QUIET tag can be used to turn on/off the messages that are generated
+# by doxygen. Possible values are YES and NO. If left blank NO is used.
+
+QUIET = NO
+
+# The WARNINGS tag can be used to turn on/off the warning messages that are
+# generated by doxygen. Possible values are YES and NO. If left blank
+# NO is used.
+
+WARNINGS = YES
+
+# If WARN_IF_UNDOCUMENTED is set to YES, then doxygen will generate warnings
+# for undocumented members. If EXTRACT_ALL is set to YES then this flag will
+# automatically be disabled.
+
+WARN_IF_UNDOCUMENTED = YES
+
+# If WARN_IF_DOC_ERROR is set to YES, doxygen will generate warnings for
+# potential errors in the documentation, such as not documenting some
+# parameters in a documented function, or documenting parameters that
+# don't exist or using markup commands wrongly.
+
+WARN_IF_DOC_ERROR = YES
+
+# This WARN_NO_PARAMDOC option can be abled to get warnings for
+# functions that are documented, but have no documentation for their parameters
+# or return value. If set to NO (the default) doxygen will only warn about
+# wrong or incomplete parameter documentation, but not about the absence of
+# documentation.
+
+WARN_NO_PARAMDOC = NO
+
+# The WARN_FORMAT tag determines the format of the warning messages that
+# doxygen can produce. The string should contain the $file, $line, and $text
+# tags, which will be replaced by the file and line number from which the
+# warning originated and the warning text. Optionally the format may contain
+# $version, which will be replaced by the version of the file (if it could
+# be obtained via FILE_VERSION_FILTER)
+
+WARN_FORMAT = "$file:$line: $text"
+
+# The WARN_LOGFILE tag can be used to specify a file to which warning
+# and error messages should be written. If left blank the output is written
+# to stderr.
+
+WARN_LOGFILE =
+
+#---------------------------------------------------------------------------
+# configuration options related to the input files
+#---------------------------------------------------------------------------
+
+# The INPUT tag can be used to specify the files and/or directories that contain
+# documented source files. You may enter file names like "myfile.cpp" or
+# directories like "/usr/src/myproject". Separate the files or directories
+# with spaces.
+
+INPUT = .
+
+# This tag can be used to specify the character encoding of the source files
+# that doxygen parses. Internally doxygen uses the UTF-8 encoding, which is
+# also the default input encoding. Doxygen uses libiconv (or the iconv built
+# into libc) for the transcoding. See http://www.gnu.org/software/libiconv for
+# the list of possible encodings.
+
+INPUT_ENCODING = UTF-8
+
+# If the value of the INPUT tag contains directories, you can use the
+# FILE_PATTERNS tag to specify one or more wildcard pattern (like *.cpp
+# and *.h) to filter out the source-files in the directories. If left
+# blank the following patterns are tested:
+# *.c *.cc *.cxx *.cpp *.c++ *.java *.ii *.ixx *.ipp *.i++ *.inl *.h *.hh *.hxx
+# *.hpp *.h++ *.idl *.odl *.cs *.php *.php3 *.inc *.m *.mm *.py *.f90
+
+FILE_PATTERNS =*.h *.cc
+
+# The RECURSIVE tag can be used to turn specify whether or not subdirectories
+# should be searched for input files as well. Possible values are YES and NO.
+# If left blank NO is used.
+
+RECURSIVE = YES
+
+# The EXCLUDE tag can be used to specify files and/or directories that should
+# excluded from the INPUT source files. This way you can easily exclude a
+# subdirectory from a directory tree whose root is specified with the INPUT tag.
+
+EXCLUDE = Biopool/Tests/ Energy/Tests/ Lobo/Tests/ Align2/Tests/ tools/
+
+# The EXCLUDE_SYMLINKS tag can be used select whether or not files or
+# directories that are symbolic links (a Unix filesystem feature) are excluded
+# from the input.
+
+EXCLUDE_SYMLINKS = NO
+
+# If the value of the INPUT tag contains directories, you can use the
+# EXCLUDE_PATTERNS tag to specify one or more wildcard patterns to exclude
+# certain files from those directories. Note that the wildcards are matched
+# against the file with absolute path, so to exclude all test directories
+# for example use the pattern */test/*
+
+EXCLUDE_PATTERNS =
+
+# The EXCLUDE_SYMBOLS tag can be used to specify one or more symbol names
+# (namespaces, classes, functions, etc.) that should be excluded from the
+# output. The symbol name can be a fully qualified name, a word, or if the
+# wildcard * is used, a substring. Examples: ANamespace, AClass,
+# AClass::ANamespace, ANamespace::*Test
+
+EXCLUDE_SYMBOLS =
+
+# The EXAMPLE_PATH tag can be used to specify one or more files or
+# directories that contain example code fragments that are included (see
+# the \include command).
+
+EXAMPLE_PATH =
+
+# If the value of the EXAMPLE_PATH tag contains directories, you can use the
+# EXAMPLE_PATTERNS tag to specify one or more wildcard pattern (like *.cpp
+# and *.h) to filter out the source-files in the directories. If left
+# blank all files are included.
+
+EXAMPLE_PATTERNS =
+
+# If the EXAMPLE_RECURSIVE tag is set to YES then subdirectories will be
+# searched for input files to be used with the \include or \dontinclude
+# commands irrespective of the value of the RECURSIVE tag.
+# Possible values are YES and NO. If left blank NO is used.
+
+EXAMPLE_RECURSIVE = NO
+
+# The IMAGE_PATH tag can be used to specify one or more files or
+# directories that contain image that are included in the documentation (see
+# the \image command).
+
+IMAGE_PATH =
+
+# The INPUT_FILTER tag can be used to specify a program that doxygen should
+# invoke to filter for each input file. Doxygen will invoke the filter program
+# by executing (via popen()) the command <filter> <input-file>, where <filter>
+# is the value of the INPUT_FILTER tag, and <input-file> is the name of an
+# input file. Doxygen will then use the output that the filter program writes
+# to standard output.
+# If FILTER_PATTERNS is specified, this tag will be
+# ignored.
+
+INPUT_FILTER =
+
+# The FILTER_PATTERNS tag can be used to specify filters on a per file pattern
+# basis.
+# Doxygen will compare the file name with each pattern and apply the
+# filter if there is a match.
+# The filters are a list of the form:
+# pattern=filter (like *.cpp=my_cpp_filter). See INPUT_FILTER for further
+# info on how filters are used. If FILTER_PATTERNS is empty, INPUT_FILTER
+# is applied to all files.
+
+FILTER_PATTERNS =
+
+# If the FILTER_SOURCE_FILES tag is set to YES, the input filter (if set using
+# INPUT_FILTER) will be used to filter the input files when producing source
+# files to browse (i.e. when SOURCE_BROWSER is set to YES).
+
+FILTER_SOURCE_FILES = NO
+
+#---------------------------------------------------------------------------
+# configuration options related to source browsing
+#---------------------------------------------------------------------------
+
+# If the SOURCE_BROWSER tag is set to YES then a list of source files will
+# be generated. Documented entities will be cross-referenced with these sources.
+# Note: To get rid of all source code in the generated output, make sure also
+# VERBATIM_HEADERS is set to NO.
+
+SOURCE_BROWSER = NO
+
+# Setting the INLINE_SOURCES tag to YES will include the body
+# of functions and classes directly in the documentation.
+
+INLINE_SOURCES = NO
+
+# Setting the STRIP_CODE_COMMENTS tag to YES (the default) will instruct
+# doxygen to hide any special comment blocks from generated source code
+# fragments. Normal C and C++ comments will always remain visible.
+
+STRIP_CODE_COMMENTS = YES
+
+# If the REFERENCED_BY_RELATION tag is set to YES
+# then for each documented function all documented
+# functions referencing it will be listed.
+
+REFERENCED_BY_RELATION = NO
+
+# If the REFERENCES_RELATION tag is set to YES
+# then for each documented function all documented entities
+# called/used by that function will be listed.
+
+REFERENCES_RELATION = NO
+
+# If the REFERENCES_LINK_SOURCE tag is set to YES (the default)
+# and SOURCE_BROWSER tag is set to YES, then the hyperlinks from
+# functions in REFERENCES_RELATION and REFERENCED_BY_RELATION lists will
+# link to the source code.
+# Otherwise they will link to the documentation.
+
+REFERENCES_LINK_SOURCE = YES
+
+# If the USE_HTAGS tag is set to YES then the references to source code
+# will point to the HTML generated by the htags(1) tool instead of doxygen
+# built-in source browser. The htags tool is part of GNU's global source
+# tagging system (see http://www.gnu.org/software/global/global.html). You
+# will need version 4.8.6 or higher.
+
+USE_HTAGS = NO
+
+# If the VERBATIM_HEADERS tag is set to YES (the default) then Doxygen
+# will generate a verbatim copy of the header file for each class for
+# which an include is specified. Set to NO to disable this.
+
+VERBATIM_HEADERS = YES
+
+#---------------------------------------------------------------------------
+# configuration options related to the alphabetical class index
+#---------------------------------------------------------------------------
+
+# If the ALPHABETICAL_INDEX tag is set to YES, an alphabetical index
+# of all compounds will be generated. Enable this if the project
+# contains a lot of classes, structs, unions or interfaces.
+
+ALPHABETICAL_INDEX = YES
+
+# If the alphabetical index is enabled (see ALPHABETICAL_INDEX) then
+# the COLS_IN_ALPHA_INDEX tag can be used to specify the number of columns
+# in which this list will be split (can be a number in the range [1..20])
+
+COLS_IN_ALPHA_INDEX = 20
+
+# In case all classes in a project start with a common prefix, all
+# classes will be put under the same header in the alphabetical index.
+# The IGNORE_PREFIX tag can be used to specify one or more prefixes that
+# should be ignored while generating the index headers.
+
+IGNORE_PREFIX =
+
+#---------------------------------------------------------------------------
+# configuration options related to the HTML output
+#---------------------------------------------------------------------------
+
+# If the GENERATE_HTML tag is set to YES (the default) Doxygen will
+# generate HTML output.
+
+GENERATE_HTML = YES
+
+# The HTML_OUTPUT tag is used to specify where the HTML docs will be put.
+# If a relative path is entered the value of OUTPUT_DIRECTORY will be
+# put in front of it. If left blank `html' will be used as the default path.
+
+HTML_OUTPUT = html
+
+# The HTML_FILE_EXTENSION tag can be used to specify the file extension for
+# each generated HTML page (for example: .htm,.php,.asp). If it is left blank
+# doxygen will generate files with .html extension.
+
+HTML_FILE_EXTENSION = .html
+
+# The HTML_HEADER tag can be used to specify a personal HTML header for
+# each generated HTML page. If it is left blank doxygen will generate a
+# standard header.
+
+HTML_HEADER =
+
+# The HTML_FOOTER tag can be used to specify a personal HTML footer for
+# each generated HTML page. If it is left blank doxygen will generate a
+# standard footer.
+
+HTML_FOOTER =
+
+# The HTML_STYLESHEET tag can be used to specify a user-defined cascading
+# style sheet that is used by each HTML page. It can be used to
+# fine-tune the look of the HTML output. If the tag is left blank doxygen
+# will generate a default style sheet. Note that doxygen will try to copy
+# the style sheet file to the HTML output directory, so don't put your own
+# stylesheet in the HTML output directory as well, or it will be erased!
+
+HTML_STYLESHEET =
+
+# If the HTML_TIMESTAMP tag is set to YES then the footer of each generated HTML
+# page will contain the date and time when the page was generated. Setting
+# this to NO can help when comparing the output of multiple runs.
+
+HTML_TIMESTAMP = YES
+
+# If the HTML_ALIGN_MEMBERS tag is set to YES, the members of classes,
+# files or namespaces will be aligned in HTML using tables. If set to
+# NO a bullet list will be used.
+
+HTML_ALIGN_MEMBERS = YES
+
+# If the HTML_DYNAMIC_SECTIONS tag is set to YES then the generated HTML
+# documentation will contain sections that can be hidden and shown after the
+# page has loaded. For this to work a browser that supports
+# JavaScript and DHTML is required (for instance Mozilla 1.0+, Firefox
+# Netscape 6.0+, Internet explorer 5.0+, Konqueror, or Safari).
+
+HTML_DYNAMIC_SECTIONS = YES
+
+# If the GENERATE_DOCSET tag is set to YES, additional index files
+# will be generated that can be used as input for Apple's Xcode 3
+# integrated development environment, introduced with OSX 10.5 (Leopard).
+# To create a documentation set, doxygen will generate a Makefile in the
+# HTML output directory. Running make will produce the docset in that
+# directory and running "make install" will install the docset in
+# ~/Library/Developer/Shared/Documentation/DocSets so that Xcode will find
+# it at startup.
+# See http://developer.apple.com/tools/creatingdocsetswithdoxygen.html for more information.
+
+GENERATE_DOCSET = NO
+
+# When GENERATE_DOCSET tag is set to YES, this tag determines the name of the
+# feed. A documentation feed provides an umbrella under which multiple
+# documentation sets from a single provider (such as a company or product suite)
+# can be grouped.
+
+DOCSET_FEEDNAME = "Doxygen generated docs"
+
+# When GENERATE_DOCSET tag is set to YES, this tag specifies a string that
+# should uniquely identify the documentation set bundle. This should be a
+# reverse domain-name style string, e.g. com.mycompany.MyDocSet. Doxygen
+# will append .docset to the name.
+
+DOCSET_BUNDLE_ID = org.doxygen.Project
+
+# If the GENERATE_HTMLHELP tag is set to YES, additional index files
+# will be generated that can be used as input for tools like the
+# Microsoft HTML help workshop to generate a compiled HTML help file (.chm)
+# of the generated HTML documentation.
+
+GENERATE_HTMLHELP = NO
+
+# If the GENERATE_HTMLHELP tag is set to YES, the CHM_FILE tag can
+# be used to specify the file name of the resulting .chm file. You
+# can add a path in front of the file if the result should not be
+# written to the html output directory.
+
+CHM_FILE =
+
+# If the GENERATE_HTMLHELP tag is set to YES, the HHC_LOCATION tag can
+# be used to specify the location (absolute path including file name) of
+# the HTML help compiler (hhc.exe). If non-empty doxygen will try to run
+# the HTML help compiler on the generated index.hhp.
+
+HHC_LOCATION =
+
+# If the GENERATE_HTMLHELP tag is set to YES, the GENERATE_CHI flag
+# controls if a separate .chi index file is generated (YES) or that
+# it should be included in the master .chm file (NO).
+
+GENERATE_CHI = NO
+
+# If the GENERATE_HTMLHELP tag is set to YES, the CHM_INDEX_ENCODING
+# is used to encode HtmlHelp index (hhk), content (hhc) and project file
+# content.
+
+CHM_INDEX_ENCODING =
+
+# If the GENERATE_HTMLHELP tag is set to YES, the BINARY_TOC flag
+# controls whether a binary table of contents is generated (YES) or a
+# normal table of contents (NO) in the .chm file.
+
+BINARY_TOC = NO
+
+# The TOC_EXPAND flag can be set to YES to add extra items for group members
+# to the contents of the HTML help documentation and to the tree view.
+
+TOC_EXPAND = NO
+
+# If the GENERATE_QHP tag is set to YES and both QHP_NAMESPACE and QHP_VIRTUAL_FOLDER
+# are set, an additional index file will be generated that can be used as input for
+# Qt's qhelpgenerator to generate a Qt Compressed Help (.qch) of the generated
+# HTML documentation.
+
+GENERATE_QHP = NO
+
+# If the QHG_LOCATION tag is specified, the QCH_FILE tag can
+# be used to specify the file name of the resulting .qch file.
+# The path specified is relative to the HTML output folder.
+
+QCH_FILE =
+
+# The QHP_NAMESPACE tag specifies the namespace to use when generating
+# Qt Help Project output. For more information please see
+# http://doc.trolltech.com/qthelpproject.html#namespace
+
+QHP_NAMESPACE = org.doxygen.Project
+
+# The QHP_VIRTUAL_FOLDER tag specifies the namespace to use when generating
+# Qt Help Project output. For more information please see
+# http://doc.trolltech.com/qthelpproject.html#virtual-folders
+
+QHP_VIRTUAL_FOLDER = doc
+
+# If QHP_CUST_FILTER_NAME is set, it specifies the name of a custom filter to add.
+# For more information please see
+# http://doc.trolltech.com/qthelpproject.html#custom-filters
+
+QHP_CUST_FILTER_NAME =
+
+# The QHP_CUST_FILT_ATTRS tag specifies the list of the attributes of the custom filter to add.For more information please see
+# <a href="http://doc.trolltech.com/qthelpproject.html#custom-filters">Qt Help Project / Custom Filters</a>.
+
+QHP_CUST_FILTER_ATTRS =
+
+# The QHP_SECT_FILTER_ATTRS tag specifies the list of the attributes this project's
+# filter section matches.
+# <a href="http://doc.trolltech.com/qthelpproject.html#filter-attributes">Qt Help Project / Filter Attributes</a>.
+
+QHP_SECT_FILTER_ATTRS =
+
+# If the GENERATE_QHP tag is set to YES, the QHG_LOCATION tag can
+# be used to specify the location of Qt's qhelpgenerator.
+# If non-empty doxygen will try to run qhelpgenerator on the generated
+# .qhp file.
+
+QHG_LOCATION =
+
+# If the GENERATE_ECLIPSEHELP tag is set to YES, additional index files
+# will be generated, which together with the HTML files, form an Eclipse help
+# plugin. To install this plugin and make it available under the help contents
+# menu in Eclipse, the contents of the directory containing the HTML and XML
+# files needs to be copied into the plugins directory of eclipse. The name of
+# the directory within the plugins directory should be the same as
+# the ECLIPSE_DOC_ID value. After copying Eclipse needs to be restarted before the help appears.
+
+GENERATE_ECLIPSEHELP = NO
+
+# A unique identifier for the eclipse help plugin. When installing the plugin
+# the directory name containing the HTML and XML files should also have
+# this name.
+
+ECLIPSE_DOC_ID = org.doxygen.Project
+
+# The DISABLE_INDEX tag can be used to turn on/off the condensed index at
+# top of each HTML page. The value NO (the default) enables the index and
+# the value YES disables it.
+
+DISABLE_INDEX = NO
+
+# This tag can be used to set the number of enum values (range [1..20])
+# that doxygen will group on one line in the generated HTML documentation.
+
+ENUM_VALUES_PER_LINE = 4
+
+# The GENERATE_TREEVIEW tag is used to specify whether a tree-like index
+# structure should be generated to display hierarchical information.
+# If the tag value is set to YES, a side panel will be generated
+# containing a tree-like index structure (just like the one that
+# is generated for HTML Help). For this to work a browser that supports
+# JavaScript, DHTML, CSS and frames is required (i.e. any modern browser).
+# Windows users are probably better off using the HTML help feature.
+
+GENERATE_TREEVIEW = YES
+
+# By enabling USE_INLINE_TREES, doxygen will generate the Groups, Directories,
+# and Class Hierarchy pages using a tree view instead of an ordered list.
+
+USE_INLINE_TREES = YES
+
+# If the treeview is enabled (see GENERATE_TREEVIEW) then this tag can be
+# used to set the initial width (in pixels) of the frame in which the tree
+# is shown.
+
+TREEVIEW_WIDTH = 250
+
+# Use this tag to change the font size of Latex formulas included
+# as images in the HTML documentation. The default is 10. Note that
+# when you change the font size after a successful doxygen run you need
+# to manually remove any form_*.png images from the HTML output directory
+# to force them to be regenerated.
+
+FORMULA_FONTSIZE = 10
+
+# When the SEARCHENGINE tag is enabled doxygen will generate a search box for the HTML output. The underlying search engine uses javascript
+# and DHTML and should work on any modern browser. Note that when using HTML help (GENERATE_HTMLHELP), Qt help (GENERATE_QHP), or docsets (GENERATE_DOCSET) there is already a search function so this one should
+# typically be disabled. For large projects the javascript based search engine
+# can be slow, then enabling SERVER_BASED_SEARCH may provide a better solution.
+
+SEARCHENGINE = YES
+
+# When the SERVER_BASED_SEARCH tag is enabled the search engine will be implemented using a PHP enabled web server instead of at the web client using Javascript. Doxygen will generate the search PHP script and index
+# file to put on the web server. The advantage of the server based approach is that it scales better to large projects and allows full text search. The disadvances is that it is more difficult to setup
+# and does not have live searching capabilities.
+
+SERVER_BASED_SEARCH = NO
+
+#---------------------------------------------------------------------------
+# configuration options related to the RTF output
+#---------------------------------------------------------------------------
+
+# If the GENERATE_RTF tag is set to YES Doxygen will generate RTF output
+# The RTF output is optimized for Word 97 and may not look very pretty with
+# other RTF readers or editors.
+
+GENERATE_RTF = NO
+
+# The RTF_OUTPUT tag is used to specify where the RTF docs will be put.
+# If a relative path is entered the value of OUTPUT_DIRECTORY will be
+# put in front of it. If left blank `rtf' will be used as the default path.
+
+RTF_OUTPUT = rtf
+
+# If the COMPACT_RTF tag is set to YES Doxygen generates more compact
+# RTF documents. This may be useful for small projects and may help to
+# save some trees in general.
+
+COMPACT_RTF = NO
+
+# If the RTF_HYPERLINKS tag is set to YES, the RTF that is generated
+# will contain hyperlink fields. The RTF file will
+# contain links (just like the HTML output) instead of page references.
+# This makes the output suitable for online browsing using WORD or other
+# programs which support those fields.
+# Note: wordpad (write) and others do not support links.
+
+RTF_HYPERLINKS = NO
+
+# Load stylesheet definitions from file. Syntax is similar to doxygen's
+# config file, i.e. a series of assignments. You only have to provide
+# replacements, missing definitions are set to their default value.
+
+RTF_STYLESHEET_FILE =
+
+# Set optional variables used in the generation of an rtf document.
+# Syntax is similar to doxygen's config file.
+
+RTF_EXTENSIONS_FILE =
+
+#---------------------------------------------------------------------------
+# configuration options related to the man page output
+#---------------------------------------------------------------------------
+
+# If the GENERATE_MAN tag is set to YES (the default) Doxygen will
+# generate man pages
+
+GENERATE_MAN = NO
+
+# The MAN_OUTPUT tag is used to specify where the man pages will be put.
+# If a relative path is entered the value of OUTPUT_DIRECTORY will be
+# put in front of it. If left blank `man' will be used as the default path.
+
+MAN_OUTPUT = man
+
+# The MAN_EXTENSION tag determines the extension that is added to
+# the generated man pages (default is the subroutine's section .3)
+
+MAN_EXTENSION = .3
+
+# If the MAN_LINKS tag is set to YES and Doxygen generates man output,
+# then it will generate one additional man file for each entity
+# documented in the real man page(s). These additional files
+# only source the real man page, but without them the man command
+# would be unable to find the correct page. The default is NO.
+
+MAN_LINKS = NO
+#---------------------------------------------------------------------------
+# configuration options for the AutoGen Definitions output
+#---------------------------------------------------------------------------
+
+# If the GENERATE_AUTOGEN_DEF tag is set to YES Doxygen will
+# generate an AutoGen Definitions (see autogen.sf.net) file
+# that captures the structure of the code including all
+# documentation. Note that this feature is still experimental
+# and incomplete at the moment.
+
+GENERATE_AUTOGEN_DEF = NO
+
+#---------------------------------------------------------------------------
+# configuration options related to the Perl module output
+#---------------------------------------------------------------------------
+
+# If the GENERATE_PERLMOD tag is set to YES Doxygen will
+# generate a Perl module file that captures the structure of
+# the code including all documentation. Note that this
+# feature is still experimental and incomplete at the
+# moment.
+
+GENERATE_PERLMOD = NO
+
+# If the PERLMOD_LATEX tag is set to YES Doxygen will generate
+# the necessary Makefile rules, Perl scripts and LaTeX code to be able
+# to generate PDF and DVI output from the Perl module output.
+
+PERLMOD_LATEX = NO
+
+# If the PERLMOD_PRETTY tag is set to YES the Perl module output will be
+# nicely formatted so it can be parsed by a human reader.
+# This is useful
+# if you want to understand what is going on.
+# On the other hand, if this
+# tag is set to NO the size of the Perl module output will be much smaller
+# and Perl will parse it just the same.
+
+PERLMOD_PRETTY = YES
+
+# The names of the make variables in the generated doxyrules.make file
+# are prefixed with the string contained in PERLMOD_MAKEVAR_PREFIX.
+# This is useful so different doxyrules.make files included by the same
+# Makefile don't overwrite each other's variables.
+
+PERLMOD_MAKEVAR_PREFIX =
+
+#---------------------------------------------------------------------------
+# Configuration options related to the preprocessor
+#---------------------------------------------------------------------------
+
+# If the ENABLE_PREPROCESSING tag is set to YES (the default) Doxygen will
+# evaluate all C-preprocessor directives found in the sources and include
+# files.
+
+ENABLE_PREPROCESSING = YES
+
+# If the MACRO_EXPANSION tag is set to YES Doxygen will expand all macro
+# names in the source code. If set to NO (the default) only conditional
+# compilation will be performed. Macro expansion can be done in a controlled
+# way by setting EXPAND_ONLY_PREDEF to YES.
+
+MACRO_EXPANSION = NO
+
+# If the EXPAND_ONLY_PREDEF and MACRO_EXPANSION tags are both set to YES
+# then the macro expansion is limited to the macros specified with the
+# PREDEFINED and EXPAND_AS_DEFINED tags.
+
+EXPAND_ONLY_PREDEF = NO
+
+# If the SEARCH_INCLUDES tag is set to YES (the default) the includes files
+# in the INCLUDE_PATH (see below) will be search if a #include is found.
+
+SEARCH_INCLUDES = YES
+
+# The INCLUDE_PATH tag can be used to specify one or more directories that
+# contain include files that are not input files but should be processed by
+# the preprocessor.
+
+INCLUDE_PATH =
+
+# You can use the INCLUDE_FILE_PATTERNS tag to specify one or more wildcard
+# patterns (like *.h and *.hpp) to filter out the header-files in the
+# directories. If left blank, the patterns specified with FILE_PATTERNS will
+# be used.
+
+INCLUDE_FILE_PATTERNS =
+
+# The PREDEFINED tag can be used to specify one or more macro names that
+# are defined before the preprocessor is started (similar to the -D option of
+# gcc). The argument of the tag is a list of macros of the form: name
+# or name=definition (no spaces). If the definition and the = are
+# omitted =1 is assumed. To prevent a macro definition from being
+# undefined via #undef or recursively expanded use the := operator
+# instead of the = operator.
+
+PREDEFINED =
+
+# If the MACRO_EXPANSION and EXPAND_ONLY_PREDEF tags are set to YES then
+# this tag can be used to specify a list of macro names that should be expanded.
+# The macro definition that is found in the sources will be used.
+# Use the PREDEFINED tag if you want to use a different macro definition.
+
+EXPAND_AS_DEFINED =
+
+# If the SKIP_FUNCTION_MACROS tag is set to YES (the default) then
+# doxygen's preprocessor will remove all function-like macros that are alone
+# on a line, have an all uppercase name, and do not end with a semicolon. Such
+# function macros are typically used for boiler-plate code, and will confuse
+# the parser if not removed.
+
+SKIP_FUNCTION_MACROS = YES
+
+#---------------------------------------------------------------------------
+# Configuration::additions related to external references
+#---------------------------------------------------------------------------
+
+# The TAGFILES option can be used to specify one or more tagfiles.
+# Optionally an initial location of the external documentation
+# can be added for each tagfile. The format of a tag file without
+# this location is as follows:
+#
+# TAGFILES = file1 file2 ...
+# Adding location for the tag files is done as follows:
+#
+# TAGFILES = file1=loc1 "file2 = loc2" ...
+# where "loc1" and "loc2" can be relative or absolute paths or
+# URLs. If a location is present for each tag, the installdox tool
+# does not have to be run to correct the links.
+# Note that each tag file must have a unique name
+# (where the name does NOT include the path)
+# If a tag file is not located in the directory in which doxygen
+# is run, you must also specify the path to the tagfile here.
+
+TAGFILES =
+
+# When a file name is specified after GENERATE_TAGFILE, doxygen will create
+# a tag file that is based on the input files it reads.
+
+GENERATE_TAGFILE =
+
+# If the ALLEXTERNALS tag is set to YES all external classes will be listed
+# in the class index. If set to NO only the inherited external classes
+# will be listed.
+
+ALLEXTERNALS = NO
+
+# If the EXTERNAL_GROUPS tag is set to YES all external groups will be listed
+# in the modules index. If set to NO, only the current project's groups will
+# be listed.
+
+EXTERNAL_GROUPS = YES
+
+# The PERL_PATH should be the absolute path and name of the perl script
+# interpreter (i.e. the result of `which perl').
+
+PERL_PATH = /usr/bin/perl
+
+#---------------------------------------------------------------------------
+# Configuration options related to the dot tool
+#---------------------------------------------------------------------------
+
+# If the CLASS_DIAGRAMS tag is set to YES (the default) Doxygen will
+# generate a inheritance diagram (in HTML, RTF and LaTeX) for classes with base
+# or super classes. Setting the tag to NO turns the diagrams off. Note that
+# this option is superseded by the HAVE_DOT option below. This is only a
+# fallback. It is recommended to install and use dot, since it yields more
+# powerful graphs.
+
+CLASS_DIAGRAMS = YES
+
+# You can define message sequence charts within doxygen comments using the \msc
+# command. Doxygen will then run the mscgen tool (see
+# http://www.mcternan.me.uk/mscgen/) to produce the chart and insert it in the
+# documentation. The MSCGEN_PATH tag allows you to specify the directory where
+# the mscgen tool resides. If left empty the tool is assumed to be found in the
+# default search path.
+
+MSCGEN_PATH =
+
+# If set to YES, the inheritance and collaboration graphs will hide
+# inheritance and usage relations if the target is undocumented
+# or is not a class.
+
+HIDE_UNDOC_RELATIONS = YES
+
+# If you set the HAVE_DOT tag to YES then doxygen will assume the dot tool is
+# available from the path. This tool is part of Graphviz, a graph visualization
+# toolkit from AT&T and Lucent Bell Labs. The other options in this section
+# have no effect if this option is set to NO (the default)
+
+HAVE_DOT = YES
+
+# By default doxygen will write a font called FreeSans.ttf to the output
+# directory and reference it in all dot files that doxygen generates. This
+# font does not include all possible unicode characters however, so when you need
+# these (or just want a differently looking font) you can specify the font name
+# using DOT_FONTNAME. You need need to make sure dot is able to find the font,
+# which can be done by putting it in a standard location or by setting the
+# DOTFONTPATH environment variable or by setting DOT_FONTPATH to the directory
+# containing the font.
+
+DOT_FONTNAME = FreeSans
+
+# The DOT_FONTSIZE tag can be used to set the size of the font of dot graphs.
+# The default size is 10pt.
+
+DOT_FONTSIZE = 10
+
+# By default doxygen will tell dot to use the output directory to look for the
+# FreeSans.ttf font (which doxygen will put there itself). If you specify a
+# different font using DOT_FONTNAME you can set the path where dot
+# can find it using this tag.
+
+DOT_FONTPATH =
+
+# If the CLASS_GRAPH and HAVE_DOT tags are set to YES then doxygen
+# will generate a graph for each documented class showing the direct and
+# indirect inheritance relations. Setting this tag to YES will force the
+# the CLASS_DIAGRAMS tag to NO.
+
+CLASS_GRAPH = YES
+
+# If the COLLABORATION_GRAPH and HAVE_DOT tags are set to YES then doxygen
+# will generate a graph for each documented class showing the direct and
+# indirect implementation dependencies (inheritance, containment, and
+# class references variables) of the class with other documented classes.
+
+COLLABORATION_GRAPH = YES
+
+# If the GROUP_GRAPHS and HAVE_DOT tags are set to YES then doxygen
+# will generate a graph for groups, showing the direct groups dependencies
+
+GROUP_GRAPHS = YES
+
+# If the UML_LOOK tag is set to YES doxygen will generate inheritance and
+# collaboration diagrams in a style similar to the OMG's Unified Modeling
+# Language.
+
+UML_LOOK = NO
+
+# If set to YES, the inheritance and collaboration graphs will show the
+# relations between templates and their instances.
+
+TEMPLATE_RELATIONS = NO
+
+# If the ENABLE_PREPROCESSING, SEARCH_INCLUDES, INCLUDE_GRAPH, and HAVE_DOT
+# tags are set to YES then doxygen will generate a graph for each documented
+# file showing the direct and indirect include dependencies of the file with
+# other documented files.
+
+INCLUDE_GRAPH = YES
+
+# If the ENABLE_PREPROCESSING, SEARCH_INCLUDES, INCLUDED_BY_GRAPH, and
+# HAVE_DOT tags are set to YES then doxygen will generate a graph for each
+# documented header file showing the documented files that directly or
+# indirectly include this file.
+
+INCLUDED_BY_GRAPH = YES
+
+# If the CALL_GRAPH and HAVE_DOT options are set to YES then
+# doxygen will generate a call dependency graph for every global function
+# or class method. Note that enabling this option will significantly increase
+# the time of a run. So in most cases it will be better to enable call graphs
+# for selected functions only using the \callgraph command.
+
+CALL_GRAPH = NO
+
+# If the CALLER_GRAPH and HAVE_DOT tags are set to YES then
+# doxygen will generate a caller dependency graph for every global function
+# or class method. Note that enabling this option will significantly increase
+# the time of a run. So in most cases it will be better to enable caller
+# graphs for selected functions only using the \callergraph command.
+
+CALLER_GRAPH = NO
+
+# If the GRAPHICAL_HIERARCHY and HAVE_DOT tags are set to YES then doxygen
+# will graphical hierarchy of all classes instead of a textual one.
+
+GRAPHICAL_HIERARCHY = YES
+
+# If the DIRECTORY_GRAPH, SHOW_DIRECTORIES and HAVE_DOT tags are set to YES
+# then doxygen will show the dependencies a directory has on other directories
+# in a graphical way. The dependency relations are determined by the #include
+# relations between the files in the directories.
+
+DIRECTORY_GRAPH = YES
+
+# The DOT_IMAGE_FORMAT tag can be used to set the image format of the images
+# generated by dot. Possible values are png, jpg, or gif
+# If left blank png will be used.
+
+DOT_IMAGE_FORMAT = png
+
+# The tag DOT_PATH can be used to specify the path where the dot tool can be
+# found. If left blank, it is assumed the dot tool can be found in the path.
+
+DOT_PATH =
+
+# The DOTFILE_DIRS tag can be used to specify one or more directories that
+# contain dot files that are included in the documentation (see the
+# \dotfile command).
+
+DOTFILE_DIRS =
+
+# The DOT_GRAPH_MAX_NODES tag can be used to set the maximum number of
+# nodes that will be shown in the graph. If the number of nodes in a graph
+# becomes larger than this value, doxygen will truncate the graph, which is
+# visualized by representing a node as a red box. Note that doxygen if the
+# number of direct children of the root node in a graph is already larger than
+# DOT_GRAPH_MAX_NODES then the graph will not be shown at all. Also note
+# that the size of a graph can be further restricted by MAX_DOT_GRAPH_DEPTH.
+
+DOT_GRAPH_MAX_NODES = 50
+
+# The MAX_DOT_GRAPH_DEPTH tag can be used to set the maximum depth of the
+# graphs generated by dot. A depth value of 3 means that only nodes reachable
+# from the root by following a path via at most 3 edges will be shown. Nodes
+# that lay further from the root node will be omitted. Note that setting this
+# option to 1 or 2 may greatly reduce the computation time needed for large
+# code bases. Also note that the size of a graph can be further restricted by
+# DOT_GRAPH_MAX_NODES. Using a depth of 0 means no depth restriction.
+
+MAX_DOT_GRAPH_DEPTH = 0
+
+# Set the DOT_TRANSPARENT tag to YES to generate images with a transparent
+# background. This is disabled by default, because dot on Windows does not
+# seem to support this out of the box. Warning: Depending on the platform used,
+# enabling this option may lead to badly anti-aliased labels on the edges of
+# a graph (i.e. they become hard to read).
+
+DOT_TRANSPARENT = NO
+
+# Set the DOT_MULTI_TARGETS tag to YES allow dot to generate multiple output
+# files in one run (i.e. multiple -o and -T options on the command line). This
+# makes dot run faster, but since only newer versions of dot (>1.8.10)
+# support this, this feature is disabled by default.
+
+DOT_MULTI_TARGETS = YES
+
+# If the GENERATE_LEGEND tag is set to YES (the default) Doxygen will
+# generate a legend page explaining the meaning of the various boxes and
+# arrows in the dot generated graphs.
+
+GENERATE_LEGEND = YES
+
+# If the DOT_CLEANUP tag is set to YES (the default) Doxygen will
+# remove the intermediate dot files that are used to generate
+# the various graphs.
+
+DOT_CLEANUP = YES

From b555d512c470a9eab1bc388aa15176637bb7ce86 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Fri, 10 Jul 2015 11:21:48 +0200
Subject: [PATCH 07/61] Creazione del vettore di Spacer in ProteinModels Creata
 TmScore per le imposizioni

---
 Biopool/Sources/Protein.h     |    2 +-
 Biopool/Sources/Spacer.cc     |   41 +-
 Mobi/APPS/mobi.cc             |   33 +-
 Mobi/APPS/mobi.o              |  Bin 20176 -> 20704 bytes
 Mobi/Sources/Makefile         |    4 +-
 Mobi/Sources/ProteinModels.cc |   48 +-
 Mobi/Sources/ProteinModels.h  |   11 +-
 Mobi/Sources/ProteinModels.o  |  Bin 45136 -> 49616 bytes
 Mobi/data/stdout0             | 1695 ---------------------------------
 Mobi/data/stdout1             | 1695 ---------------------------------
 Mobi/data/stdout2             | 1695 ---------------------------------
 Mobi/data/stdout3             | 1695 ---------------------------------
 12 files changed, 99 insertions(+), 6820 deletions(-)
 delete mode 100644 Mobi/data/stdout0
 delete mode 100644 Mobi/data/stdout1
 delete mode 100644 Mobi/data/stdout2
 delete mode 100644 Mobi/data/stdout3

diff --git a/Biopool/Sources/Protein.h b/Biopool/Sources/Protein.h
index 79bcb74..0cbe782 100644
--- a/Biopool/Sources/Protein.h
+++ b/Biopool/Sources/Protein.h
@@ -68,7 +68,7 @@ namespace Victor { namespace Biopool {
         void deleteComponent(Component* c);
 
         void copy(const Protein& orig);
-        void load(Loader& l); // data loader                 
+        virtual void load(Loader& l); // data loader
 
         virtual Protein* clone();
 
diff --git a/Biopool/Sources/Spacer.cc b/Biopool/Sources/Spacer.cc
index 6c43431..b77fdc5 100644
--- a/Biopool/Sources/Spacer.cc
+++ b/Biopool/Sources/Spacer.cc
@@ -1664,25 +1664,28 @@ void Spacer::setDSSP(bool verbose) {
                 set<char> ::iterator it = ss[i].find(turns[l]);
                 if (it != ss[i].end()) { // found a n-turn
                     char pos_s = *it;
-                    int pos = atoi(&(pos_s));
-                    set<char> ::iterator it1 = ss[i + pos - 1].find(turns[l]);
-                    if (it1 != ss[i + pos - 1].end()) { // found the same n-turn after n-1 positions
-                        bool helixBreak = false;
-                        for (unsigned int m = i; m < (i + pos); m++) {
-                            set<char> ::iterator it2 = ss[m].find(turns[l]);
-                            if (it2 == ss[m].end()) {
-                                helixBreak = true;
-                            }
-                        }
-                        if (!helixBreak) {
-                            for (unsigned int m = i; m < (i + pos); m++) {
-                                ss[m].insert(helices[l]);
-                            }
-                        }
-                        break;
-                    }
-                }
-            }
+					int pos = atoi(&(pos_s));
+					if (!ss[i + pos - 1].empty()) {
+						set<char>::iterator it1 = ss[i + pos - 1].find(
+								turns[l]);
+						if (it1 != ss[i + pos - 1].end()) { // found the same n-turn after n-1 positions
+							bool helixBreak = false;
+							for (unsigned int m = i; m < (i + pos); m++) {
+								set<char>::iterator it2 = ss[m].find(turns[l]);
+								if (it2 == ss[m].end()) {
+									helixBreak = true;
+								}
+							}
+							if (!helixBreak) {
+								for (unsigned int m = i; m < (i + pos); m++) {
+									ss[m].insert(helices[l]);
+								}
+							}
+							break;
+						}
+					}
+				}
+			}
             // Set sheets (E)
             set<char> ::iterator it = ss[i].find('B');
             if (it != ss[i].end()) {
diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index f1e9922..205bbf8 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -28,10 +28,9 @@
 
 
  #include <ProteinModels.h>
- #include <PdbSaver.h>
+ #include <TmScore.h>
  #include <string>
  #include <GetArg.h>
- #include <Debug.h>
  
 
   using namespace Victor;
@@ -86,7 +85,7 @@
 	 }
 
 
-	 cout << "Welcome to Mobi!" << endl;
+	cout << "Welcome to Mobi!" << endl;
 
 	 //loan pdb file from input
 	 inputFile = argv[1];
@@ -104,7 +103,7 @@
      PdbLoader pl(inFile);    // creates the PdbLoader object
 
      ProteinModels prot;
-//     Protein prot;
+    // Protein prot;
 
      if (v){
     	 pl.setVerbose();
@@ -138,17 +137,31 @@
 //    	 cout << "22" << endl;
      }
 
+     if (outputFile != "!"){
+    	outputFile="./Mobi/data/" + outputFile;
+  	  }	else outputFile="./Mobi/data/stdout";
 
-     /////////////////////////////////////////////////////////////////////
 
-     if (outputFile != "!"){
-    	outputFile="/home/riccardo/Victor/Mobi/data/" + outputFile;
-  	  }	else outputFile="/home/riccardo/Victor/Mobi/data/stdout";
+     // Mi salvo i vari modelli
+       prot.save(prot, outputFile);
 
 
-     // Open the proper output stream (file or stdout)
 
-       prot.save(prot, outputFile);
+       /////////////////////////////////////////////////////////////////////
+
+       TmScore tm("./Mobi/data/TMscore", outputFile, v);
+//
+//       Spacer sp;
+//       //for (unsigned int i=0; i<prot.size(); i++)
+//    	 //  for (unsigned int j=0; j<prot.size(); j++)
+//    		//   if (i!=j){
+//    			//   cout << outputFile + (itosDEF(i)) << outputFile + (itosDEF(j)) << endl;
+//    			//   tm.TmImpose(outputFile + (itosDEF(i)), outputFile + (itosDEF(j)));
+//       	   	   	   tm.TmImpose(outputFile + (itosDEF(0)), outputFile + (itosDEF(1)));
+//    			   sp=*(tm.spacerFromTMOutput(tm.outputTmScore + "_atm"));
+//    			   prot.models.push_back(sp);
+//    			   cout << prot.models.size()<< endl;
+//    		//}
 
        return 0;
   }
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index a72c3a9aa6f57e5a7cb3c5d3ae5e544da1cb37fa..004d4d058088815f205b39d8009958e4b42b7290 100644
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diff --git a/Mobi/Sources/Makefile b/Mobi/Sources/Makefile
index 7b72f41..1cd054b 100644
--- a/Mobi/Sources/Makefile
+++ b/Mobi/Sources/Makefile
@@ -27,10 +27,10 @@ INC_PATH = -I. -I../../tools -I../../Biopool/Sources
 #
  
 
-SOURCES = 	 ProteinModels.cc
+SOURCES = 	 ProteinModels.cc	TmScore.cc
 
 
-OBJECTS = 	 ProteinModels.o
+OBJECTS = 	 ProteinModels.o	TmScore.o
 
 
 TARGETS =   
diff --git a/Mobi/Sources/ProteinModels.cc b/Mobi/Sources/ProteinModels.cc
index 605cf3f..2b44f24 100644
--- a/Mobi/Sources/ProteinModels.cc
+++ b/Mobi/Sources/ProteinModels.cc
@@ -7,7 +7,7 @@ using namespace Victor;
 using namespace Victor::Mobi;
 using namespace Victor::Biopool;
 
-
+const string PDB = ".pdb";
 
 ProteinModels::ProteinModels() : Protein(), verbose(false) {}
 
@@ -32,6 +32,7 @@ void ProteinModels::load(PdbLoader& pl) {
 		pl.setModel(i);
 		pl.checkModel();
 		this->Protein::load(pl);
+		models.push_back(*(this->getSpacer(i-1)));
 	}
 }
 
@@ -85,12 +86,45 @@ void ProteinModels::loadSameModels(PdbLoader& pl){
  		    	 pl.setModel(i);		  //dal pdb loader scelgo il modello da caricare nella proteina
  		    	 pl.checkModel();
  		    	 this->Protein::load(pl);          // creates the Protein object
+ 		    	 models.push_back(*(this->getSpacer(i-1)));
  		     }
- 		     cout << "modelli caricati nella proteina" << endl;
+ 		 cout << "\n" << "Modelli caricati nella proteina" << endl;
 
  }
 
-
+/*procedura che stampa su file il vettore di spacer*/
+//void ProteinModels::save(ProteinModels& prot, string outputFile){
+//
+//	ofstream fout;			//stream in output
+//	string outputFile_1;
+//	PdbSaver ps(fout);
+//
+//	unsigned int i = 0;
+//
+//	vector<Spacer>::iterator walk = models.begin();
+//	while (walk != models.end()) {
+//
+//		outputFile_1 = outputFile + (itosDEF(i)) + PDB;
+//		if (verbose)
+//			cout << outputFile_1 << endl;
+//
+//		fout.open(outputFile_1.c_str());
+//		if (!fout) {
+//			ERROR("Could not open file for writing.", exception);
+//		} else {
+//
+//			ps.saveSpacer(*walk);
+//			walk++;
+//			i++;
+//			ps.endFile();
+//			fout.close();
+//
+//			if (verbose)
+//				cout << "file chiuso" << endl;
+//		}
+//	}
+//
+//}
 
 void ProteinModels::save(ProteinModels& prot, string outputFile){
 
@@ -102,7 +136,7 @@ void ProteinModels::save(ProteinModels& prot, string outputFile){
 	for (unsigned int i = 0; i < prot.size(); i++) {
 
 
-		outputFile_1 = outputFile + (itosDEF(i)) + ".pdb";
+		outputFile_1 = outputFile + (itosDEF(i)) + PDB;
 
 		if (verbose)
 			cout << outputFile_1 << endl;
@@ -122,3 +156,9 @@ void ProteinModels::save(ProteinModels& prot, string outputFile){
 	}
 
 }
+
+
+
+vector<Spacer> ProteinModels::getModels() {
+	return this->models;
+}
diff --git a/Mobi/Sources/ProteinModels.h b/Mobi/Sources/ProteinModels.h
index 77ab85d..61f7023 100644
--- a/Mobi/Sources/ProteinModels.h
+++ b/Mobi/Sources/ProteinModels.h
@@ -41,7 +41,7 @@ class ProteinModels : public Protein{
 
 	ProteinModels(const Protein& _orig);
 
-	~ProteinModels();
+	virtual ~ProteinModels();
 
 
 
@@ -49,7 +49,7 @@ class ProteinModels : public Protein{
 
 	//void load(PdbLoader& pl, char chain, vector<unsigned int> models);
 
-	void load(PdbLoader& pl);
+	virtual void load(PdbLoader& pl);
 
 	unsigned int selectModels(PdbLoader& pl);
 
@@ -64,10 +64,13 @@ class ProteinModels : public Protein{
 	}
 
 	void save(ProteinModels& prot, string outputFile);
-// MODIFIERS:
+
+	vector <Spacer> getModels();
+
+	// MODIFIERS:
 private:
 	bool verbose;
-
+	vector <Spacer> models;
 
 };
 }
diff --git a/Mobi/Sources/ProteinModels.o b/Mobi/Sources/ProteinModels.o
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diff --git a/Mobi/data/stdout0 b/Mobi/data/stdout0
deleted file mode 100644
index d855585..0000000
--- a/Mobi/data/stdout0
+++ /dev/null
@@ -1,1695 +0,0 @@
-SEQRES   0   109   GLY SER GLY ASN SER LEU GLU LYS HIS SER TRP TYR HIS 
-SEQRES   1   109   GLY PRO VAL SER ARG ASN ALA ALA GLU TYR LEU LEU SER 
-SEQRES   2   109   SER GLY ILE ASN GLY SER PHE LEU VAL ARG GLU SER GLU 
-SEQRES   3   109   SER SER PRO GLY GLN ARG SER ILE SER LEU ARG TYR GLU 
-SEQRES   4   109   GLY ARG VAL TYR HIS TYR ARG ILE ASN THR ALA SER ASP 
-SEQRES   5   109   GLY LYS LEU TYR VAL SER SER GLU SER ARG PHE ASN THR 
-SEQRES   6   109   LEU ALA GLU LEU VAL HIS HIS HIS SER THR VAL ALA ASP 
-SEQRES   7   109   GLY LEU ILE THR THR LEU HIS TYR PRO ALA PRO LYS ARG 
-SEQRES   9   109   GLY ILE HIS ARG ASP 
-ATOM      1  N   GLY     1       0.469  -0.694  -0.363  1.00  1.00           N
-ATOM      2  CA  GLY     1       1.265  -0.654  -1.578  1.00  1.00           C
-ATOM      3  C   GLY     1       0.476  -1.203  -2.769  1.00  1.00           C
-ATOM      4  O   GLY     1      -0.702  -0.891  -2.934  1.00  1.00           O
-ATOM      5  H1  GLY     1      -0.124  -1.516  -0.374  1.00  1.00           H
-ATOM      6  H2  GLY     1       1.083  -0.731   0.442  1.00  1.00           H
-ATOM      7  H3  GLY     1      -0.108   0.139  -0.310  1.00  1.00           H
-ATOM      8  HA2 GLY     1       1.572   0.371  -1.783  1.00  1.00           H
-ATOM      9  HA3 GLY     1       2.175  -1.238  -1.439  1.00  1.00           H
-ATOM     10  N   SER     2       1.158  -2.012  -3.568  1.00  1.00           N
-ATOM     11  CA  SER     2       0.535  -2.607  -4.737  1.00  1.00           C
-ATOM     12  C   SER     2      -0.508  -3.640  -4.306  1.00  1.00           C
-ATOM     13  O   SER     2      -0.162  -4.769  -3.962  1.00  1.00           O
-ATOM     16  H   SER     2       2.116  -2.260  -3.426  1.00  1.00           H
-ATOM     17  HA  SER     2       0.060  -1.779  -5.264  1.00  1.00           H
-ATOM     14  CB  SER     2       1.580  -3.255  -5.648  1.00  1.00           C
-ATOM     15  OG  SER     2       2.228  -4.357  -5.017  1.00  1.00           O
-ATOM     18  HB2 SER     2       1.102  -3.593  -6.567  1.00  1.00           H
-ATOM     19  HB3 SER     2       2.325  -2.511  -5.931  1.00  1.00           H
-ATOM     20  HG  SER     2       2.509  -5.026  -5.703  1.00  1.00           H
-ATOM     21  N   GLY     3      -1.763  -3.217  -4.341  1.00  1.00           N
-ATOM     22  CA  GLY     3      -2.858  -4.091  -3.959  1.00  1.00           C
-ATOM     23  C   GLY     3      -3.879  -3.347  -3.095  1.00  1.00           C
-ATOM     24  O   GLY     3      -5.078  -3.401  -3.360  1.00  1.00           O
-ATOM     25  H   GLY     3      -2.035  -2.297  -4.623  1.00  1.00           H
-ATOM     26  HA2 GLY     3      -3.347  -4.480  -4.853  1.00  1.00           H
-ATOM     27  HA3 GLY     3      -2.469  -4.949  -3.410  1.00  1.00           H
-ATOM     28  N   ASN     4      -3.364  -2.670  -2.080  1.00  1.00           N
-ATOM     29  CA  ASN     4      -4.215  -1.915  -1.175  1.00  1.00           C
-ATOM     30  C   ASN     4      -4.006  -0.419  -1.415  1.00  1.00           C
-ATOM     31  O   ASN     4      -4.969   0.343  -1.477  1.00  1.00           O
-ATOM     36  H   ASN     4      -2.387  -2.632  -1.870  1.00  1.00           H
-ATOM     37  HA  ASN     4      -5.232  -2.237  -1.404  1.00  1.00           H
-ATOM     32  CB  ASN     4      -3.869  -2.214   0.284  1.00  1.00           C
-ATOM     33  CG  ASN     4      -4.627  -1.280   1.230  1.00  1.00           C
-ATOM     34  OD1 ASN     4      -4.163  -0.209   1.590  1.00  1.00           O
-ATOM     35  ND2 ASN     4      -5.813  -1.741   1.611  1.00  1.00           N
-ATOM     38  HB2 ASN     4      -4.116  -3.250   0.517  1.00  1.00           H
-ATOM     39  HB3 ASN     4      -2.796  -2.100   0.439  1.00  1.00           H
-ATOM     40 HD21 ASN     4      -6.135  -2.628   1.279  1.00  1.00           H
-ATOM     41 HD22 ASN     4      -6.386  -1.202   2.229  1.00  1.00           H
-ATOM     42  N   SER     5      -2.742  -0.044  -1.541  1.00  1.00           N
-ATOM     43  CA  SER     5      -2.394   1.349  -1.771  1.00  1.00           C
-ATOM     44  C   SER     5      -3.005   2.228  -0.679  1.00  1.00           C
-ATOM     45  O   SER     5      -3.798   1.755   0.134  1.00  1.00           O
-ATOM     48  H   SER     5      -1.964  -0.670  -1.488  1.00  1.00           H
-ATOM     49  HA  SER     5      -1.306   1.385  -1.729  1.00  1.00           H
-ATOM     46  CB  SER     5      -2.865   1.812  -3.152  1.00  1.00           C
-ATOM     47  OG  SER     5      -4.286   1.794  -3.265  1.00  1.00           O
-ATOM     50  HB2 SER     5      -2.500   2.822  -3.338  1.00  1.00           H
-ATOM     51  HB3 SER     5      -2.432   1.169  -3.918  1.00  1.00           H
-ATOM     52  HG  SER     5      -4.702   1.826  -2.356  1.00  1.00           H
-ATOM     53  N   LEU     6      -2.611   3.494  -0.694  1.00  1.00           N
-ATOM     54  CA  LEU     6      -3.111   4.444   0.285  1.00  1.00           C
-ATOM     55  C   LEU     6      -3.925   5.525  -0.428  1.00  1.00           C
-ATOM     56  O   LEU     6      -3.757   5.744  -1.627  1.00  1.00           O
-ATOM     61  H   LEU     6      -1.966   3.871  -1.359  1.00  1.00           H
-ATOM     62  HA  LEU     6      -3.772   3.901   0.960  1.00  1.00           H
-ATOM     57  CB  LEU     6      -1.960   4.998   1.128  1.00  1.00           C
-ATOM     58  CG  LEU     6      -1.104   3.960   1.859  1.00  1.00           C
-ATOM     59  CD1 LEU     6      -0.007   3.413   0.944  1.00  1.00           C
-ATOM     60  CD2 LEU     6      -0.534   4.536   3.157  1.00  1.00           C
-ATOM     63  HB2 LEU     6      -1.309   5.584   0.480  1.00  1.00           H
-ATOM     64  HB3 LEU     6      -2.375   5.683   1.867  1.00  1.00           H
-ATOM     65  HG  LEU     6      -1.743   3.121   2.132  1.00  1.00           H
-ATOM     66 HD11 LEU     6       0.095   4.059   0.072  1.00  1.00           H
-ATOM     67 HD12 LEU     6       0.938   3.384   1.487  1.00  1.00           H
-ATOM     68 HD13 LEU     6      -0.272   2.406   0.621  1.00  1.00           H
-ATOM     69 HD21 LEU     6      -0.950   5.529   3.327  1.00  1.00           H
-ATOM     70 HD22 LEU     6      -0.797   3.885   3.990  1.00  1.00           H
-ATOM     71 HD23 LEU     6       0.551   4.605   3.078  1.00  1.00           H
-ATOM     72  N   GLU     7      -4.791   6.171   0.339  1.00  1.00           N
-ATOM     73  CA  GLU     7      -5.632   7.223  -0.204  1.00  1.00           C
-ATOM     74  C   GLU     7      -4.814   8.496  -0.427  1.00  1.00           C
-ATOM     75  O   GLU     7      -5.037   9.507   0.237  1.00  1.00           O
-ATOM     81  H   GLU     7      -4.921   5.987   1.313  1.00  1.00           H
-ATOM     82  HA  GLU     7      -5.992   6.842  -1.161  1.00  1.00           H
-ATOM     76  CB  GLU     7      -6.830   7.495   0.708  1.00  1.00           C
-ATOM     77  CG  GLU     7      -8.142   7.127   0.014  1.00  1.00           C
-ATOM     78  CD  GLU     7      -8.921   8.382  -0.388  1.00  1.00           C
-ATOM     79  OE1 GLU     7      -8.634   8.850  -1.554  1.00  1.00           O
-ATOM     80  OE2 GLU     7      -9.752   8.872   0.391  1.00  1.00           O
-ATOM     83  HB2 GLU     7      -6.728   6.920   1.628  1.00  1.00           H
-ATOM     84  HB3 GLU     7      -6.845   8.548   0.991  1.00  1.00           H
-ATOM     85  HG2 GLU     7      -7.935   6.525  -0.870  1.00  1.00           H
-ATOM     86  HG3 GLU     7      -8.751   6.515   0.680  1.00  1.00           H
-ATOM     87  N   LYS     8      -3.881   8.405  -1.364  1.00  1.00           N
-ATOM     88  CA  LYS     8      -3.026   9.537  -1.682  1.00  1.00           C
-ATOM     89  C   LYS     8      -3.897  10.727  -2.094  1.00  1.00           C
-ATOM     90  O   LYS     8      -4.509  11.375  -1.246  1.00  1.00           O
-ATOM     96  H   LYS     8      -3.704   7.579  -1.899  1.00  1.00           H
-ATOM     97  HA  LYS     8      -2.485   9.803  -0.774  1.00  1.00           H
-ATOM     91  CB  LYS     8      -1.986   9.144  -2.732  1.00  1.00           C
-ATOM     92  CG  LYS     8      -0.846  10.165  -2.784  1.00  1.00           C
-ATOM     93  CD  LYS     8      -0.879  10.958  -4.092  1.00  1.00           C
-ATOM     94  CE  LYS     8       0.257  11.981  -4.141  1.00  1.00           C
-ATOM     95  NZ  LYS     8       1.545  11.313  -4.430  1.00  1.00           N
-ATOM     98  HB2 LYS     8      -1.585   8.158  -2.502  1.00  1.00           H
-ATOM     99  HB3 LYS     8      -2.460   9.074  -3.712  1.00  1.00           H
-ATOM    100  HG2 LYS     8      -0.927  10.848  -1.938  1.00  1.00           H
-ATOM    101  HG3 LYS     8       0.110   9.652  -2.689  1.00  1.00           H
-ATOM    102  HD2 LYS     8      -0.795  10.275  -4.938  1.00  1.00           H
-ATOM    103  HD3 LYS     8      -1.838  11.468  -4.189  1.00  1.00           H
-ATOM    104  HE2 LYS     8       0.048  12.727  -4.907  1.00  1.00           H
-ATOM    105  HE3 LYS     8       0.319  12.509  -3.190  1.00  1.00           H
-ATOM    106  HZ1 LYS     8       1.449  10.737  -5.254  1.00  1.00           H
-ATOM    107  HZ2 LYS     8       2.291  11.979  -4.595  1.00  1.00           H
-ATOM    108  HZ3 LYS     8       1.807  10.733  -3.644  1.00  1.00           H
-ATOM    109  N   HIS     9      -3.923  10.978  -3.394  1.00  1.00           N
-ATOM    110  CA  HIS     9      -4.708  12.078  -3.928  1.00  1.00           C
-ATOM    111  C   HIS     9      -6.157  11.626  -4.126  1.00  1.00           C
-ATOM    112  O   HIS     9      -6.508  10.494  -3.797  1.00  1.00           O
-ATOM    119  H   HIS     9      -3.423  10.445  -4.077  1.00  1.00           H
-ATOM    120  HA  HIS     9      -4.683  12.871  -3.182  1.00  1.00           H
-ATOM    113  CB  HIS     9      -4.077  12.623  -5.211  1.00  1.00           C
-ATOM    114  CG  HIS     9      -2.959  13.610  -4.972  1.00  1.00           C
-ATOM    115  ND1 HIS     9      -2.255  13.673  -3.783  1.00  1.00           N
-ATOM    116  CD2 HIS     9      -2.430  14.570  -5.784  1.00  1.00           C
-ATOM    117  CE1 HIS     9      -1.347  14.632  -3.884  1.00  1.00           C
-ATOM    118  NE2 HIS     9      -1.456  15.186  -5.125  1.00  1.00           N
-ATOM    121  HB2 HIS     9      -3.693  11.789  -5.798  1.00  1.00           H
-ATOM    122  HB3 HIS     9      -4.851  13.105  -5.808  1.00  1.00           H
-ATOM    123  HD1 HIS     9      -2.407  13.093  -2.982  1.00  1.00           H
-ATOM    124  HD2 HIS     9      -2.751  14.792  -6.802  1.00  1.00           H
-ATOM    125  HE1 HIS     9      -0.636  14.925  -3.111  1.00  1.00           H
-ATOM    126  N   SER    10      -6.958  12.535  -4.662  1.00  1.00           N
-ATOM    127  CA  SER    10      -8.361  12.245  -4.908  1.00  1.00           C
-ATOM    128  C   SER    10      -8.509  11.435  -6.198  1.00  1.00           C
-ATOM    129  O   SER    10      -9.623  11.198  -6.661  1.00  1.00           O
-ATOM    132  H   SER    10      -6.664  13.453  -4.927  1.00  1.00           H
-ATOM    133  HA  SER    10      -8.689  11.660  -4.049  1.00  1.00           H
-ATOM    130  CB  SER    10      -9.183  13.532  -4.992  1.00  1.00           C
-ATOM    131  OG  SER    10     -10.584  13.274  -4.951  1.00  1.00           O
-ATOM    134  HB2 SER    10      -8.911  14.190  -4.167  1.00  1.00           H
-ATOM    135  HB3 SER    10      -8.938  14.059  -5.915  1.00  1.00           H
-ATOM    136  HG  SER    10     -11.047  13.786  -5.675  1.00  1.00           H
-ATOM    137  N   TRP    11      -7.369  11.032  -6.741  1.00  1.00           N
-ATOM    138  CA  TRP    11      -7.359  10.254  -7.968  1.00  1.00           C
-ATOM    139  C   TRP    11      -6.537   8.988  -7.718  1.00  1.00           C
-ATOM    140  O   TRP    11      -6.228   8.250  -8.652  1.00  1.00           O
-ATOM    151  H   TRP    11      -6.467  11.230  -6.358  1.00  1.00           H
-ATOM    152  HA  TRP    11      -8.389   9.989  -8.202  1.00  1.00           H
-ATOM    141  CB  TRP    11      -6.834  11.086  -9.140  1.00  1.00           C
-ATOM    142  CG  TRP    11      -5.645  11.980  -8.786  1.00  1.00           C
-ATOM    143  CD1 TRP    11      -5.622  13.315  -8.670  1.00  1.00           C
-ATOM    144  CD2 TRP    11      -4.297  11.547  -8.504  1.00  1.00           C
-ATOM    145  NE1 TRP    11      -4.364  13.772  -8.335  1.00  1.00           N
-ATOM    146  CE2 TRP    11      -3.533  12.663  -8.231  1.00  1.00           C
-ATOM    147  CE3 TRP    11      -3.743  10.256  -8.480  1.00  1.00           C
-ATOM    148  CZ2 TRP    11      -2.170  12.601  -7.916  1.00  1.00           C
-ATOM    149  CZ3 TRP    11      -2.380  10.210  -8.164  1.00  1.00           C
-ATOM    150  CH2 TRP    11      -1.596  11.324  -7.886  1.00  1.00           C
-ATOM    153  HB2 TRP    11      -6.542  10.414  -9.947  1.00  1.00           H
-ATOM    154  HB3 TRP    11      -7.644  11.709  -9.521  1.00  1.00           H
-ATOM    155  HD1 TRP    11      -6.489  13.958  -8.820  1.00  1.00           H
-ATOM    156  HE1 TRP    11      -4.075  14.812  -8.181  1.00  1.00           H
-ATOM    157  HE3 TRP    11      -4.325   9.359  -8.692  1.00  1.00           H
-ATOM    158  HZ2 TRP    11      -1.587  13.497  -7.704  1.00  1.00           H
-ATOM    159  HZ3 TRP    11      -1.899   9.232  -8.131  1.00  1.00           H
-ATOM    160  HH2 TRP    11      -0.539  11.204  -7.647  1.00  1.00           H
-ATOM    161  N   TYR    12      -6.205   8.776  -6.452  1.00  1.00           N
-ATOM    162  CA  TYR    12      -5.425   7.613  -6.067  1.00  1.00           C
-ATOM    163  C   TYR    12      -6.255   6.656  -5.209  1.00  1.00           C
-ATOM    164  O   TYR    12      -6.340   6.821  -3.994  1.00  1.00           O
-ATOM    173  H   TYR    12      -6.461   9.382  -5.698  1.00  1.00           H
-ATOM    174  HA  TYR    12      -5.117   7.099  -6.978  1.00  1.00           H
-ATOM    165  CB  TYR    12      -4.258   8.145  -5.233  1.00  1.00           C
-ATOM    166  CG  TYR    12      -2.942   7.395  -5.454  1.00  1.00           C
-ATOM    167  CD1 TYR    12      -2.417   7.283  -6.726  1.00  1.00           C
-ATOM    168  CD2 TYR    12      -2.281   6.831  -4.382  1.00  1.00           C
-ATOM    169  CE1 TYR    12      -1.179   6.578  -6.934  1.00  1.00           C
-ATOM    170  CE2 TYR    12      -1.043   6.126  -4.591  1.00  1.00           C
-ATOM    171  CZ  TYR    12      -0.553   6.034  -5.856  1.00  1.00           C
-ATOM    172  OH  TYR    12       0.616   5.367  -6.052  1.00  1.00           O
-ATOM    175  HB2 TYR    12      -4.108   9.198  -5.468  1.00  1.00           H
-ATOM    176  HB3 TYR    12      -4.523   8.089  -4.178  1.00  1.00           H
-ATOM    177  HD1 TYR    12      -2.939   7.729  -7.572  1.00  1.00           H
-ATOM    178  HD2 TYR    12      -2.696   6.919  -3.379  1.00  1.00           H
-ATOM    179  HE1 TYR    12      -0.754   6.481  -7.933  1.00  1.00           H
-ATOM    180  HE2 TYR    12      -0.511   5.675  -3.753  1.00  1.00           H
-ATOM    181  HH  TYR    12       1.294   5.661  -5.379  1.00  1.00           H
-ATOM    182  N   HIS    13      -6.845   5.676  -5.876  1.00  1.00           N
-ATOM    183  CA  HIS    13      -7.665   4.691  -5.190  1.00  1.00           C
-ATOM    184  C   HIS    13      -6.904   3.368  -5.090  1.00  1.00           C
-ATOM    185  O   HIS    13      -6.654   2.873  -3.993  1.00  1.00           O
-ATOM    192  H   HIS    13      -6.772   5.548  -6.865  1.00  1.00           H
-ATOM    193  HA  HIS    13      -7.841   5.076  -4.186  1.00  1.00           H
-ATOM    186  CB  HIS    13      -9.025   4.543  -5.877  1.00  1.00           C
-ATOM    187  CG  HIS    13      -8.937   4.230  -7.351  1.00  1.00           C
-ATOM    188  ND1 HIS    13      -9.395   3.042  -7.894  1.00  1.00           N
-ATOM    189  CD2 HIS    13      -8.441   4.961  -8.390  1.00  1.00           C
-ATOM    190  CE1 HIS    13      -9.178   3.068  -9.201  1.00  1.00           C
-ATOM    191  NE2 HIS    13      -8.586   4.258  -9.506  1.00  1.00           N
-ATOM    194  HB2 HIS    13      -9.586   3.751  -5.380  1.00  1.00           H
-ATOM    195  HB3 HIS    13      -9.590   5.466  -5.744  1.00  1.00           H
-ATOM    196  HD1 HIS    13      -9.818   2.292  -7.386  1.00  1.00           H
-ATOM    197  HD2 HIS    13      -7.999   5.955  -8.314  1.00  1.00           H
-ATOM    198  HE1 HIS    13      -9.430   2.278  -9.908  1.00  1.00           H
-ATOM    199  N   GLY    14      -6.556   2.833  -6.252  1.00  1.00           N
-ATOM    200  CA  GLY    14      -5.828   1.577  -6.310  1.00  1.00           C
-ATOM    201  C   GLY    14      -5.666   1.103  -7.755  1.00  1.00           C
-ATOM    202  O   GLY    14      -5.883   1.870  -8.692  1.00  1.00           O
-ATOM    203  H   GLY    14      -6.764   3.243  -7.140  1.00  1.00           H
-ATOM    204  HA2 GLY    14      -4.847   1.700  -5.851  1.00  1.00           H
-ATOM    205  HA3 GLY    14      -6.357   0.819  -5.731  1.00  1.00           H
-ATOM    206  N   PRO    15      -5.278  -0.192  -7.895  1.00  1.00           N
-ATOM    207  CA  PRO    15      -5.084  -0.778  -9.211  1.00  1.00           C
-ATOM    208  C   PRO    15      -6.426  -1.073  -9.882  1.00  1.00           C
-ATOM    209  O   PRO    15      -7.303  -1.693  -9.281  1.00  1.00           O
-ATOM    213  HA  PRO    15      -4.613  -0.133  -9.812  1.00  1.00           H
-ATOM    210  CB  PRO    15      -4.255  -2.028  -8.966  1.00  1.00           C
-ATOM    211  CG  PRO    15      -4.408  -2.348  -7.488  1.00  1.00           C
-ATOM    212  CD  PRO    15      -5.012  -1.130  -6.808  1.00  1.00           C
-ATOM    214  HB2 PRO    15      -4.605  -2.856  -9.583  1.00  1.00           H
-ATOM    215  HB3 PRO    15      -3.209  -1.860  -9.224  1.00  1.00           H
-ATOM    216  HG2 PRO    15      -5.048  -3.220  -7.351  1.00  1.00           H
-ATOM    217  HG3 PRO    15      -3.440  -2.591  -7.048  1.00  1.00           H
-ATOM    218  HD2 PRO    15      -5.928  -1.388  -6.275  1.00  1.00           H
-ATOM    219  HD3 PRO    15      -4.325  -0.705  -6.076  1.00  1.00           H
-ATOM    220  N   VAL    16      -6.547  -0.614 -11.119  1.00  1.00           N
-ATOM    221  CA  VAL    16      -7.768  -0.821 -11.880  1.00  1.00           C
-ATOM    222  C   VAL    16      -7.418  -1.011 -13.357  1.00  1.00           C
-ATOM    223  O   VAL    16      -6.931  -0.088 -14.007  1.00  1.00           O
-ATOM    227  H   VAL    16      -5.829  -0.111 -11.601  1.00  1.00           H
-ATOM    228  HA  VAL    16      -8.235  -1.732 -11.509  1.00  1.00           H
-ATOM    224  CB  VAL    16      -8.736   0.340 -11.640  1.00  1.00           C
-ATOM    225  CG1 VAL    16      -8.043   1.686 -11.862  1.00  1.00           C
-ATOM    226  CG2 VAL    16      -9.977   0.209 -12.524  1.00  1.00           C
-ATOM    229  HB  VAL    16      -9.058   0.297 -10.599  1.00  1.00           H
-ATOM    230 HG11 VAL    16      -7.370   1.612 -12.716  1.00  1.00           H
-ATOM    231 HG12 VAL    16      -8.793   2.452 -12.056  1.00  1.00           H
-ATOM    232 HG13 VAL    16      -7.473   1.952 -10.972  1.00  1.00           H
-ATOM    233 HG21 VAL    16      -9.835  -0.607 -13.232  1.00  1.00           H
-ATOM    234 HG22 VAL    16     -10.847   0.001 -11.901  1.00  1.00           H
-ATOM    235 HG23 VAL    16     -10.135   1.140 -13.068  1.00  1.00           H
-ATOM    236  N   SER    17      -7.679  -2.216 -13.842  1.00  1.00           N
-ATOM    237  CA  SER    17      -7.398  -2.540 -15.231  1.00  1.00           C
-ATOM    238  C   SER    17      -8.250  -1.669 -16.154  1.00  1.00           C
-ATOM    239  O   SER    17      -9.404  -1.372 -15.845  1.00  1.00           O
-ATOM    242  H   SER    17      -8.075  -2.962 -13.306  1.00  1.00           H
-ATOM    243  HA  SER    17      -6.338  -2.323 -15.369  1.00  1.00           H
-ATOM    240  CB  SER    17      -7.654  -4.022 -15.513  1.00  1.00           C
-ATOM    241  OG  SER    17      -6.444  -4.772 -15.572  1.00  1.00           O
-ATOM    244  HB2 SER    17      -8.298  -4.433 -14.735  1.00  1.00           H
-ATOM    245  HB3 SER    17      -8.190  -4.124 -16.457  1.00  1.00           H
-ATOM    246  HG  SER    17      -5.659  -4.165 -15.441  1.00  1.00           H
-ATOM    247  N   ARG    18      -7.651  -1.282 -17.271  1.00  1.00           N
-ATOM    248  CA  ARG    18      -8.341  -0.450 -18.242  1.00  1.00           C
-ATOM    249  C   ARG    18      -9.645  -1.117 -18.680  1.00  1.00           C
-ATOM    250  O   ARG    18     -10.698  -0.480 -18.693  1.00  1.00           O
-ATOM    258  H   ARG    18      -6.712  -1.527 -17.515  1.00  1.00           H
-ATOM    259  HA  ARG    18      -8.535   0.486 -17.718  1.00  1.00           H
-ATOM    251  CB  ARG    18      -7.466  -0.199 -19.472  1.00  1.00           C
-ATOM    252  CG  ARG    18      -6.500  -1.362 -19.705  1.00  1.00           C
-ATOM    253  CD  ARG    18      -6.187  -1.526 -21.194  1.00  1.00           C
-ATOM    254  NE  ARG    18      -5.608  -2.865 -21.445  1.00  1.00           N
-ATOM    255  CZ  ARG    18      -6.336  -3.968 -21.662  1.00  1.00           C
-ATOM    256  NH1 ARG    18      -7.674  -3.901 -21.659  1.00  1.00           N
-ATOM    257  NH2 ARG    18      -5.725  -5.141 -21.881  1.00  1.00           N
-ATOM    260  HB2 ARG    18      -8.097  -0.065 -20.350  1.00  1.00           H
-ATOM    261  HB3 ARG    18      -6.903   0.725 -19.340  1.00  1.00           H
-ATOM    262  HG2 ARG    18      -5.577  -1.189 -19.153  1.00  1.00           H
-ATOM    263  HG3 ARG    18      -6.935  -2.284 -19.318  1.00  1.00           H
-ATOM    264  HD2 ARG    18      -7.096  -1.397 -21.781  1.00  1.00           H
-ATOM    265  HD3 ARG    18      -5.489  -0.753 -21.514  1.00  1.00           H
-ATOM    266  HE  ARG    18      -4.612  -2.950 -21.454  1.00  1.00           H
-ATOM    267 HH11 ARG    18      -8.130  -3.026 -21.495  1.00  1.00           H
-ATOM    268 HH12 ARG    18      -8.217  -4.725 -21.821  1.00  1.00           H
-ATOM    269 HH21 ARG    18      -4.727  -5.192 -21.884  1.00  1.00           H
-ATOM    270 HH22 ARG    18      -6.268  -5.965 -22.043  1.00  1.00           H
-ATOM    271  N   ASN    19      -9.535  -2.391 -19.026  1.00  1.00           N
-ATOM    272  CA  ASN    19     -10.694  -3.151 -19.463  1.00  1.00           C
-ATOM    273  C   ASN    19     -11.872  -2.857 -18.533  1.00  1.00           C
-ATOM    274  O   ASN    19     -12.913  -2.378 -18.977  1.00  1.00           O
-ATOM    279  H   ASN    19      -8.676  -2.901 -19.012  1.00  1.00           H
-ATOM    280  HA  ASN    19     -10.880  -2.826 -20.487  1.00  1.00           H
-ATOM    275  CB  ASN    19     -10.416  -4.655 -19.414  1.00  1.00           C
-ATOM    276  CG  ASN    19      -9.465  -5.000 -18.266  1.00  1.00           C
-ATOM    277  OD1 ASN    19      -9.874  -5.324 -17.163  1.00  1.00           O
-ATOM    278  ND2 ASN    19      -8.178  -4.912 -18.586  1.00  1.00           N
-ATOM    281  HB2 ASN    19     -11.354  -5.198 -19.290  1.00  1.00           H
-ATOM    282  HB3 ASN    19      -9.983  -4.979 -20.360  1.00  1.00           H
-ATOM    283 HD21 ASN    19      -7.909  -4.640 -19.509  1.00  1.00           H
-ATOM    284 HD22 ASN    19      -7.478  -5.119 -17.902  1.00  1.00           H
-ATOM    285  N   ALA    20     -11.667  -3.158 -17.258  1.00  1.00           N
-ATOM    286  CA  ALA    20     -12.700  -2.931 -16.261  1.00  1.00           C
-ATOM    287  C   ALA    20     -13.033  -1.439 -16.207  1.00  1.00           C
-ATOM    288  O   ALA    20     -14.150  -1.060 -15.862  1.00  1.00           O
-ATOM    290  H   ALA    20     -10.817  -3.547 -16.906  1.00  1.00           H
-ATOM    291  HA  ALA    20     -13.588  -3.482 -16.572  1.00  1.00           H
-ATOM    289  CB  ALA    20     -12.231  -3.473 -14.910  1.00  1.00           C
-ATOM    292  HB1 ALA    20     -11.712  -4.420 -15.058  1.00  1.00           H
-ATOM    293  HB2 ALA    20     -11.556  -2.756 -14.445  1.00  1.00           H
-ATOM    294  HB3 ALA    20     -13.095  -3.631 -14.262  1.00  1.00           H
-ATOM    295  N   ALA    21     -12.040  -0.631 -16.554  1.00  1.00           N
-ATOM    296  CA  ALA    21     -12.214   0.811 -16.549  1.00  1.00           C
-ATOM    297  C   ALA    21     -13.233   1.202 -17.621  1.00  1.00           C
-ATOM    298  O   ALA    21     -14.326   1.670 -17.303  1.00  1.00           O
-ATOM    300  H   ALA    21     -11.134  -0.946 -16.833  1.00  1.00           H
-ATOM    301  HA  ALA    21     -12.601   1.097 -15.570  1.00  1.00           H
-ATOM    299  CB  ALA    21     -10.858   1.489 -16.760  1.00  1.00           C
-ATOM    302  HB1 ALA    21     -10.060   0.795 -16.496  1.00  1.00           H
-ATOM    303  HB2 ALA    21     -10.757   1.781 -17.804  1.00  1.00           H
-ATOM    304  HB3 ALA    21     -10.793   2.375 -16.126  1.00  1.00           H
-ATOM    305  N   GLU    22     -12.840   0.996 -18.869  1.00  1.00           N
-ATOM    306  CA  GLU    22     -13.706   1.321 -19.990  1.00  1.00           C
-ATOM    307  C   GLU    22     -14.987   0.485 -19.931  1.00  1.00           C
-ATOM    308  O   GLU    22     -16.048   0.940 -20.352  1.00  1.00           O
-ATOM    314  H   GLU    22     -11.950   0.616 -19.120  1.00  1.00           H
-ATOM    315  HA  GLU    22     -13.947   2.378 -19.873  1.00  1.00           H
-ATOM    309  CB  GLU    22     -12.980   1.117 -21.321  1.00  1.00           C
-ATOM    310  CG  GLU    22     -11.898   0.042 -21.197  1.00  1.00           C
-ATOM    311  CD  GLU    22     -11.637  -0.632 -22.545  1.00  1.00           C
-ATOM    312  OE1 GLU    22     -11.797   0.067 -23.569  1.00  1.00           O
-ATOM    313  OE2 GLU    22     -11.284  -1.831 -22.521  1.00  1.00           O
-ATOM    316  HB2 GLU    22     -13.697   0.830 -22.090  1.00  1.00           H
-ATOM    317  HB3 GLU    22     -12.529   2.056 -21.641  1.00  1.00           H
-ATOM    318  HG2 GLU    22     -10.976   0.490 -20.825  1.00  1.00           H
-ATOM    319  HG3 GLU    22     -12.206  -0.706 -20.466  1.00  1.00           H
-ATOM    320  N   TYR    23     -14.844  -0.721 -19.404  1.00  1.00           N
-ATOM    321  CA  TYR    23     -15.976  -1.625 -19.284  1.00  1.00           C
-ATOM    322  C   TYR    23     -16.867  -1.232 -18.104  1.00  1.00           C
-ATOM    323  O   TYR    23     -18.006  -0.810 -18.295  1.00  1.00           O
-ATOM    332  H   TYR    23     -13.977  -1.084 -19.063  1.00  1.00           H
-ATOM    333  HA  TYR    23     -16.556  -1.561 -20.204  1.00  1.00           H
-ATOM    324  CB  TYR    23     -15.384  -3.011 -19.022  1.00  1.00           C
-ATOM    325  CG  TYR    23     -16.428  -4.123 -18.917  1.00  1.00           C
-ATOM    326  CD1 TYR    23     -17.198  -4.243 -17.778  1.00  1.00           C
-ATOM    327  CD2 TYR    23     -16.601  -5.009 -19.962  1.00  1.00           C
-ATOM    328  CE1 TYR    23     -18.181  -5.290 -17.679  1.00  1.00           C
-ATOM    329  CE2 TYR    23     -17.584  -6.056 -19.863  1.00  1.00           C
-ATOM    330  CZ  TYR    23     -18.325  -6.146 -18.727  1.00  1.00           C
-ATOM    331  OH  TYR    23     -19.254  -7.136 -18.634  1.00  1.00           O
-ATOM    334  HB2 TYR    23     -14.687  -3.255 -19.825  1.00  1.00           H
-ATOM    335  HB3 TYR    23     -14.806  -2.980 -18.097  1.00  1.00           H
-ATOM    336  HD1 TYR    23     -17.062  -3.544 -16.953  1.00  1.00           H
-ATOM    337  HD2 TYR    23     -15.993  -4.915 -20.862  1.00  1.00           H
-ATOM    338  HE1 TYR    23     -18.796  -5.396 -16.786  1.00  1.00           H
-ATOM    339  HE2 TYR    23     -17.731  -6.763 -20.681  1.00  1.00           H
-ATOM    340  HH  TYR    23     -19.463  -7.319 -17.673  1.00  1.00           H
-ATOM    341  N   LEU    24     -16.315  -1.387 -16.909  1.00  1.00           N
-ATOM    342  CA  LEU    24     -17.045  -1.054 -15.698  1.00  1.00           C
-ATOM    343  C   LEU    24     -17.514   0.400 -15.774  1.00  1.00           C
-ATOM    344  O   LEU    24     -18.706   0.665 -15.924  1.00  1.00           O
-ATOM    349  H   LEU    24     -15.387  -1.732 -16.762  1.00  1.00           H
-ATOM    350  HA  LEU    24     -17.923  -1.699 -15.659  1.00  1.00           H
-ATOM    345  CB  LEU    24     -16.200  -1.365 -14.460  1.00  1.00           C
-ATOM    346  CG  LEU    24     -16.977  -1.645 -13.172  1.00  1.00           C
-ATOM    347  CD1 LEU    24     -16.048  -2.172 -12.076  1.00  1.00           C
-ATOM    348  CD2 LEU    24     -17.753  -0.407 -12.720  1.00  1.00           C
-ATOM    351  HB2 LEU    24     -15.574  -2.230 -14.680  1.00  1.00           H
-ATOM    352  HB3 LEU    24     -15.530  -0.523 -14.282  1.00  1.00           H
-ATOM    353  HG  LEU    24     -17.708  -2.427 -13.377  1.00  1.00           H
-ATOM    354 HD11 LEU    24     -15.181  -1.515 -11.988  1.00  1.00           H
-ATOM    355 HD12 LEU    24     -16.583  -2.197 -11.127  1.00  1.00           H
-ATOM    356 HD13 LEU    24     -15.716  -3.178 -12.333  1.00  1.00           H
-ATOM    357 HD21 LEU    24     -17.493   0.438 -13.356  1.00  1.00           H
-ATOM    358 HD22 LEU    24     -18.823  -0.602 -12.794  1.00  1.00           H
-ATOM    359 HD23 LEU    24     -17.498  -0.176 -11.685  1.00  1.00           H
-ATOM    360  N   LEU    25     -16.553   1.304 -15.665  1.00  1.00           N
-ATOM    361  CA  LEU    25     -16.852   2.726 -15.719  1.00  1.00           C
-ATOM    362  C   LEU    25     -17.575   3.040 -17.030  1.00  1.00           C
-ATOM    363  O   LEU    25     -16.959   3.054 -18.094  1.00  1.00           O
-ATOM    368  H   LEU    25     -15.585   1.081 -15.542  1.00  1.00           H
-ATOM    369  HA  LEU    25     -17.525   2.949 -14.891  1.00  1.00           H
-ATOM    364  CB  LEU    25     -15.581   3.550 -15.504  1.00  1.00           C
-ATOM    365  CG  LEU    25     -15.496   4.865 -16.281  1.00  1.00           C
-ATOM    366  CD1 LEU    25     -15.736   6.063 -15.359  1.00  1.00           C
-ATOM    367  CD2 LEU    25     -14.166   4.975 -17.029  1.00  1.00           C
-ATOM    370  HB2 LEU    25     -15.492   3.772 -14.441  1.00  1.00           H
-ATOM    371  HB3 LEU    25     -14.723   2.934 -15.775  1.00  1.00           H
-ATOM    372  HG  LEU    25     -16.287   4.871 -17.030  1.00  1.00           H
-ATOM    373 HD11 LEU    25     -16.113   5.712 -14.399  1.00  1.00           H
-ATOM    374 HD12 LEU    25     -14.798   6.598 -15.208  1.00  1.00           H
-ATOM    375 HD13 LEU    25     -16.466   6.732 -15.815  1.00  1.00           H
-ATOM    376 HD21 LEU    25     -13.691   3.994 -17.072  1.00  1.00           H
-ATOM    377 HD22 LEU    25     -14.346   5.336 -18.042  1.00  1.00           H
-ATOM    378 HD23 LEU    25     -13.512   5.672 -16.506  1.00  1.00           H
-ATOM    379  N   SER    26     -18.872   3.285 -16.910  1.00  1.00           N
-ATOM    380  CA  SER    26     -19.685   3.599 -18.072  1.00  1.00           C
-ATOM    381  C   SER    26     -19.346   5.000 -18.584  1.00  1.00           C
-ATOM    382  O   SER    26     -19.748   5.377 -19.685  1.00  1.00           O
-ATOM    385  H   SER    26     -19.365   3.272 -16.039  1.00  1.00           H
-ATOM    386  HA  SER    26     -19.427   2.847 -18.816  1.00  1.00           H
-ATOM    383  CB  SER    26     -21.176   3.501 -17.743  1.00  1.00           C
-ATOM    384  OG  SER    26     -21.992   3.784 -18.877  1.00  1.00           O
-ATOM    387  HB2 SER    26     -21.401   2.499 -17.376  1.00  1.00           H
-ATOM    388  HB3 SER    26     -21.418   4.197 -16.940  1.00  1.00           H
-ATOM    389  HG  SER    26     -22.774   3.160 -18.900  1.00  1.00           H
-ATOM    390  N   SER    27     -18.611   5.735 -17.764  1.00  1.00           N
-ATOM    391  CA  SER    27     -18.213   7.086 -18.120  1.00  1.00           C
-ATOM    392  C   SER    27     -19.452   7.965 -18.302  1.00  1.00           C
-ATOM    393  O   SER    27     -20.324   7.656 -19.113  1.00  1.00           O
-ATOM    396  H   SER    27     -18.287   5.421 -16.871  1.00  1.00           H
-ATOM    397  HA  SER    27     -17.611   7.440 -17.284  1.00  1.00           H
-ATOM    394  CB  SER    27     -17.366   7.093 -19.395  1.00  1.00           C
-ATOM    395  OG  SER    27     -16.047   6.607 -19.162  1.00  1.00           O
-ATOM    398  HB2 SER    27     -17.850   6.478 -20.154  1.00  1.00           H
-ATOM    399  HB3 SER    27     -17.314   8.106 -19.791  1.00  1.00           H
-ATOM    400  HG  SER    27     -16.081   5.653 -18.864  1.00  1.00           H
-ATOM    401  N   GLY    28     -19.490   9.044 -17.534  1.00  1.00           N
-ATOM    402  CA  GLY    28     -20.608   9.970 -17.599  1.00  1.00           C
-ATOM    403  C   GLY    28     -20.471  11.070 -16.544  1.00  1.00           C
-ATOM    404  O   GLY    28     -21.185  11.067 -15.542  1.00  1.00           O
-ATOM    405  H   GLY    28     -18.776   9.288 -16.877  1.00  1.00           H
-ATOM    406  HA2 GLY    28     -20.656  10.417 -18.592  1.00  1.00           H
-ATOM    407  HA3 GLY    28     -21.542   9.430 -17.447  1.00  1.00           H
-ATOM    408  N   ILE    29     -19.549  11.985 -16.807  1.00  1.00           N
-ATOM    409  CA  ILE    29     -19.309  13.089 -15.892  1.00  1.00           C
-ATOM    410  C   ILE    29     -18.761  14.284 -16.675  1.00  1.00           C
-ATOM    411  O   ILE    29     -18.679  14.241 -17.901  1.00  1.00           O
-ATOM    416  H   ILE    29     -18.973  11.981 -17.624  1.00  1.00           H
-ATOM    417  HA  ILE    29     -20.271  13.371 -15.461  1.00  1.00           H
-ATOM    412  CB  ILE    29     -18.409  12.643 -14.738  1.00  1.00           C
-ATOM    413  CG1 ILE    29     -17.430  11.560 -15.194  1.00  1.00           C
-ATOM    414  CG2 ILE    29     -19.241  12.195 -13.535  1.00  1.00           C
-ATOM    415  CD1 ILE    29     -16.201  11.514 -14.284  1.00  1.00           C
-ATOM    418  HB  ILE    29     -17.815  13.500 -14.418  1.00  1.00           H
-ATOM    419 HG12 ILE    29     -17.927  10.590 -15.190  1.00  1.00           H
-ATOM    420 HG13 ILE    29     -17.119  11.754 -16.220  1.00  1.00           H
-ATOM    421 HG21 ILE    29     -19.900  13.006 -13.227  1.00  1.00           H
-ATOM    422 HG22 ILE    29     -19.838  11.325 -13.811  1.00  1.00           H
-ATOM    423 HG23 ILE    29     -18.577  11.933 -12.712  1.00  1.00           H
-ATOM    424 HD11 ILE    29     -16.342  12.200 -13.449  1.00  1.00           H
-ATOM    425 HD12 ILE    29     -16.069  10.501 -13.903  1.00  1.00           H
-ATOM    426 HD13 ILE    29     -15.317  11.806 -14.851  1.00  1.00           H
-ATOM    427  N   ASN    30     -18.398  15.320 -15.933  1.00  1.00           N
-ATOM    428  CA  ASN    30     -17.859  16.524 -16.542  1.00  1.00           C
-ATOM    429  C   ASN    30     -16.400  16.283 -16.935  1.00  1.00           C
-ATOM    430  O   ASN    30     -15.810  17.076 -17.666  1.00  1.00           O
-ATOM    435  H   ASN    30     -18.467  15.346 -14.937  1.00  1.00           H
-ATOM    436  HA  ASN    30     -18.496  16.719 -17.406  1.00  1.00           H
-ATOM    431  CB  ASN    30     -17.898  17.700 -15.565  1.00  1.00           C
-ATOM    432  CG  ASN    30     -18.550  18.927 -16.209  1.00  1.00           C
-ATOM    433  OD1 ASN    30     -19.698  18.907 -16.619  1.00  1.00           O
-ATOM    434  ND2 ASN    30     -17.754  19.990 -16.274  1.00  1.00           N
-ATOM    437  HB2 ASN    30     -18.453  17.417 -14.671  1.00  1.00           H
-ATOM    438  HB3 ASN    30     -16.885  17.948 -15.247  1.00  1.00           H
-ATOM    439 HD21 ASN    30     -16.820  19.939 -15.919  1.00  1.00           H
-ATOM    440 HD22 ASN    30     -18.089  20.841 -16.679  1.00  1.00           H
-ATOM    441  N   GLY    31     -15.859  15.183 -16.429  1.00  1.00           N
-ATOM    442  CA  GLY    31     -14.480  14.828 -16.717  1.00  1.00           C
-ATOM    443  C   GLY    31     -13.726  14.472 -15.434  1.00  1.00           C
-ATOM    444  O   GLY    31     -13.402  15.351 -14.636  1.00  1.00           O
-ATOM    445  H   GLY    31     -16.345  14.543 -15.834  1.00  1.00           H
-ATOM    446  HA2 GLY    31     -14.455  13.982 -17.405  1.00  1.00           H
-ATOM    447  HA3 GLY    31     -13.983  15.660 -17.216  1.00  1.00           H
-ATOM    448  N   SER    32     -13.469  13.182 -15.276  1.00  1.00           N
-ATOM    449  CA  SER    32     -12.760  12.699 -14.103  1.00  1.00           C
-ATOM    450  C   SER    32     -11.733  11.641 -14.511  1.00  1.00           C
-ATOM    451  O   SER    32     -12.068  10.681 -15.205  1.00  1.00           O
-ATOM    454  H   SER    32     -13.737  12.473 -15.929  1.00  1.00           H
-ATOM    455  HA  SER    32     -12.262  13.573 -13.686  1.00  1.00           H
-ATOM    452  CB  SER    32     -13.731  12.125 -13.069  1.00  1.00           C
-ATOM    453  OG  SER    32     -13.987  10.740 -13.288  1.00  1.00           O
-ATOM    456  HB2 SER    32     -13.321  12.263 -12.069  1.00  1.00           H
-ATOM    457  HB3 SER    32     -14.670  12.678 -13.108  1.00  1.00           H
-ATOM    458  HG  SER    32     -13.911  10.528 -14.263  1.00  1.00           H
-ATOM    459  N   PHE    33     -10.504  11.851 -14.064  1.00  1.00           N
-ATOM    460  CA  PHE    33      -9.427  10.927 -14.375  1.00  1.00           C
-ATOM    461  C   PHE    33      -9.076  10.066 -13.159  1.00  1.00           C
-ATOM    462  O   PHE    33      -9.419  10.411 -12.030  1.00  1.00           O
-ATOM    470  H   PHE    33     -10.241  12.633 -13.501  1.00  1.00           H
-ATOM    471  HA  PHE    33      -9.774  10.285 -15.184  1.00  1.00           H
-ATOM    463  CB  PHE    33      -8.210  11.771 -14.756  1.00  1.00           C
-ATOM    464  CG  PHE    33      -8.534  12.950 -15.676  1.00  1.00           C
-ATOM    465  CD1 PHE    33      -9.756  13.541 -15.619  1.00  1.00           C
-ATOM    466  CD2 PHE    33      -7.597  13.407 -16.551  1.00  1.00           C
-ATOM    467  CE1 PHE    33     -10.058  14.636 -16.473  1.00  1.00           C
-ATOM    468  CE2 PHE    33      -7.899  14.501 -17.404  1.00  1.00           C
-ATOM    469  CZ  PHE    33      -9.121  15.093 -17.347  1.00  1.00           C
-ATOM    472  HB2 PHE    33      -7.744  12.150 -13.846  1.00  1.00           H
-ATOM    473  HB3 PHE    33      -7.475  11.132 -15.247  1.00  1.00           H
-ATOM    474  HD1 PHE    33     -10.507  13.175 -14.918  1.00  1.00           H
-ATOM    475  HD2 PHE    33      -6.617  12.933 -16.596  1.00  1.00           H
-ATOM    476  HE1 PHE    33     -11.038  15.110 -16.427  1.00  1.00           H
-ATOM    477  HE2 PHE    33      -7.148  14.867 -18.105  1.00  1.00           H
-ATOM    478  HZ  PHE    33      -9.352  15.932 -18.002  1.00  1.00           H
-ATOM    479  N   LEU    34      -8.395   8.963 -13.433  1.00  1.00           N
-ATOM    480  CA  LEU    34      -7.993   8.049 -12.376  1.00  1.00           C
-ATOM    481  C   LEU    34      -6.722   7.312 -12.802  1.00  1.00           C
-ATOM    482  O   LEU    34      -6.614   6.859 -13.941  1.00  1.00           O
-ATOM    487  H   LEU    34      -8.119   8.690 -14.355  1.00  1.00           H
-ATOM    488  HA  LEU    34      -7.765   8.650 -11.495  1.00  1.00           H
-ATOM    483  CB  LEU    34      -9.149   7.119 -12.004  1.00  1.00           C
-ATOM    484  CG  LEU    34      -9.545   6.085 -13.059  1.00  1.00           C
-ATOM    485  CD1 LEU    34      -9.545   6.704 -14.459  1.00  1.00           C
-ATOM    486  CD2 LEU    34      -8.648   4.849 -12.979  1.00  1.00           C
-ATOM    489  HB2 LEU    34      -8.883   6.591 -11.089  1.00  1.00           H
-ATOM    490  HB3 LEU    34     -10.023   7.731 -11.776  1.00  1.00           H
-ATOM    491  HG  LEU    34     -10.564   5.759 -12.852  1.00  1.00           H
-ATOM    492 HD11 LEU    34      -9.987   7.699 -14.417  1.00  1.00           H
-ATOM    493 HD12 LEU    34      -8.520   6.777 -14.824  1.00  1.00           H
-ATOM    494 HD13 LEU    34     -10.126   6.076 -15.134  1.00  1.00           H
-ATOM    495 HD21 LEU    34      -8.735   4.400 -11.990  1.00  1.00           H
-ATOM    496 HD22 LEU    34      -8.959   4.125 -13.734  1.00  1.00           H
-ATOM    497 HD23 LEU    34      -7.612   5.138 -13.157  1.00  1.00           H
-ATOM    498  N   VAL    35      -5.790   7.214 -11.864  1.00  1.00           N
-ATOM    499  CA  VAL    35      -4.532   6.538 -12.128  1.00  1.00           C
-ATOM    500  C   VAL    35      -4.715   5.032 -11.933  1.00  1.00           C
-ATOM    501  O   VAL    35      -5.496   4.603 -11.085  1.00  1.00           O
-ATOM    505  H   VAL    35      -5.886   7.585 -10.941  1.00  1.00           H
-ATOM    506  HA  VAL    35      -4.269   6.728 -13.168  1.00  1.00           H
-ATOM    502  CB  VAL    35      -3.428   7.125 -11.245  1.00  1.00           C
-ATOM    503  CG1 VAL    35      -2.105   6.387 -11.457  1.00  1.00           C
-ATOM    504  CG2 VAL    35      -3.265   8.626 -11.496  1.00  1.00           C
-ATOM    507  HB  VAL    35      -3.724   6.991 -10.205  1.00  1.00           H
-ATOM    508 HG11 VAL    35      -2.287   5.312 -11.466  1.00  1.00           H
-ATOM    509 HG12 VAL    35      -1.669   6.689 -12.409  1.00  1.00           H
-ATOM    510 HG13 VAL    35      -1.418   6.633 -10.648  1.00  1.00           H
-ATOM    511 HG21 VAL    35      -4.036   8.964 -12.188  1.00  1.00           H
-ATOM    512 HG22 VAL    35      -3.361   9.164 -10.554  1.00  1.00           H
-ATOM    513 HG23 VAL    35      -2.282   8.818 -11.926  1.00  1.00           H
-ATOM    514  N   ARG    36      -3.982   4.271 -12.732  1.00  1.00           N
-ATOM    515  CA  ARG    36      -4.054   2.821 -12.658  1.00  1.00           C
-ATOM    516  C   ARG    36      -2.708   2.245 -12.219  1.00  1.00           C
-ATOM    517  O   ARG    36      -1.712   2.965 -12.150  1.00  1.00           O
-ATOM    525  H   ARG    36      -3.350   4.627 -13.419  1.00  1.00           H
-ATOM    526  HA  ARG    36      -4.828   2.618 -11.917  1.00  1.00           H
-ATOM    518  CB  ARG    36      -4.443   2.220 -14.010  1.00  1.00           C
-ATOM    519  CG  ARG    36      -4.689   3.316 -15.048  1.00  1.00           C
-ATOM    520  CD  ARG    36      -5.500   2.781 -16.229  1.00  1.00           C
-ATOM    521  NE  ARG    36      -5.089   3.465 -17.476  1.00  1.00           N
-ATOM    522  CZ  ARG    36      -4.263   2.933 -18.388  1.00  1.00           C
-ATOM    523  NH1 ARG    36      -3.756   1.708 -18.198  1.00  1.00           N
-ATOM    524  NH2 ARG    36      -3.947   3.627 -19.490  1.00  1.00           N
-ATOM    527  HB2 ARG    36      -3.652   1.555 -14.357  1.00  1.00           H
-ATOM    528  HB3 ARG    36      -5.342   1.613 -13.897  1.00  1.00           H
-ATOM    529  HG2 ARG    36      -5.220   4.148 -14.585  1.00  1.00           H
-ATOM    530  HG3 ARG    36      -3.735   3.705 -15.403  1.00  1.00           H
-ATOM    531  HD2 ARG    36      -5.349   1.706 -16.328  1.00  1.00           H
-ATOM    532  HD3 ARG    36      -6.564   2.938 -16.053  1.00  1.00           H
-ATOM    533  HE  ARG    36      -5.451   4.381 -17.650  1.00  1.00           H
-ATOM    534 HH11 ARG    36      -3.992   1.191 -17.375  1.00  1.00           H
-ATOM    535 HH12 ARG    36      -3.139   1.312 -18.878  1.00  1.00           H
-ATOM    536 HH21 ARG    36      -4.326   4.541 -19.632  1.00  1.00           H
-ATOM    537 HH22 ARG    36      -3.331   3.230 -20.170  1.00  1.00           H
-ATOM    538  N   GLU    37      -2.718   0.951 -11.934  1.00  1.00           N
-ATOM    539  CA  GLU    37      -1.509   0.269 -11.504  1.00  1.00           C
-ATOM    540  C   GLU    37      -1.214  -0.918 -12.423  1.00  1.00           C
-ATOM    541  O   GLU    37      -1.790  -1.030 -13.503  1.00  1.00           O
-ATOM    547  H   GLU    37      -3.532   0.372 -11.993  1.00  1.00           H
-ATOM    548  HA  GLU    37      -0.714   1.009 -11.588  1.00  1.00           H
-ATOM    542  CB  GLU    37      -1.623  -0.181 -10.046  1.00  1.00           C
-ATOM    543  CG  GLU    37      -0.638   0.582  -9.157  1.00  1.00           C
-ATOM    544  CD  GLU    37       0.543  -0.306  -8.761  1.00  1.00           C
-ATOM    545  OE1 GLU    37       0.321  -1.531  -8.651  1.00  1.00           O
-ATOM    546  OE2 GLU    37       1.642   0.262  -8.576  1.00  1.00           O
-ATOM    549  HB2 GLU    37      -2.641  -0.019  -9.690  1.00  1.00           H
-ATOM    550  HB3 GLU    37      -1.427  -1.252  -9.975  1.00  1.00           H
-ATOM    551  HG2 GLU    37      -0.275   1.463  -9.685  1.00  1.00           H
-ATOM    552  HG3 GLU    37      -1.149   0.935  -8.262  1.00  1.00           H
-ATOM    553  N   SER    38      -0.315  -1.774 -11.960  1.00  1.00           N
-ATOM    554  CA  SER    38       0.065  -2.948 -12.726  1.00  1.00           C
-ATOM    555  C   SER    38      -1.172  -3.570 -13.379  1.00  1.00           C
-ATOM    556  O   SER    38      -2.187  -3.782 -12.718  1.00  1.00           O
-ATOM    559  H   SER    38       0.149  -1.677 -11.080  1.00  1.00           H
-ATOM    560  HA  SER    38       0.756  -2.586 -13.487  1.00  1.00           H
-ATOM    557  CB  SER    38       0.772  -3.979 -11.844  1.00  1.00           C
-ATOM    558  OG  SER    38       0.308  -5.303 -12.092  1.00  1.00           O
-ATOM    561  HB2 SER    38       1.847  -3.931 -12.022  1.00  1.00           H
-ATOM    562  HB3 SER    38       0.611  -3.729 -10.795  1.00  1.00           H
-ATOM    563  HG  SER    38       0.564  -5.902 -11.333  1.00  1.00           H
-ATOM    564  N   GLU    39      -1.047  -3.843 -14.670  1.00  1.00           N
-ATOM    565  CA  GLU    39      -2.141  -4.435 -15.419  1.00  1.00           C
-ATOM    566  C   GLU    39      -1.666  -5.694 -16.148  1.00  1.00           C
-ATOM    567  O   GLU    39      -2.309  -6.739 -16.073  1.00  1.00           O
-ATOM    573  H   GLU    39      -0.218  -3.668 -15.200  1.00  1.00           H
-ATOM    574  HA  GLU    39      -2.893  -4.701 -14.674  1.00  1.00           H
-ATOM    568  CB  GLU    39      -2.744  -3.427 -16.399  1.00  1.00           C
-ATOM    569  CG  GLU    39      -3.753  -4.103 -17.330  1.00  1.00           C
-ATOM    570  CD  GLU    39      -3.361  -3.908 -18.797  1.00  1.00           C
-ATOM    571  OE1 GLU    39      -2.566  -4.738 -19.287  1.00  1.00           O
-ATOM    572  OE2 GLU    39      -3.865  -2.933 -19.394  1.00  1.00           O
-ATOM    575  HB2 GLU    39      -3.234  -2.626 -15.847  1.00  1.00           H
-ATOM    576  HB3 GLU    39      -1.950  -2.968 -16.989  1.00  1.00           H
-ATOM    577  HG2 GLU    39      -3.806  -5.168 -17.103  1.00  1.00           H
-ATOM    578  HG3 GLU    39      -4.745  -3.689 -17.158  1.00  1.00           H
-ATOM    579  N   SER    40      -0.544  -5.551 -16.838  1.00  1.00           N
-ATOM    580  CA  SER    40       0.025  -6.662 -17.581  1.00  1.00           C
-ATOM    581  C   SER    40       1.517  -6.791 -17.270  1.00  1.00           C
-ATOM    582  O   SER    40       2.218  -7.588 -17.890  1.00  1.00           O
-ATOM    585  H   SER    40      -0.027  -4.696 -16.894  1.00  1.00           H
-ATOM    586  HA  SER    40      -0.516  -7.544 -17.238  1.00  1.00           H
-ATOM    583  CB  SER    40      -0.190  -6.486 -19.086  1.00  1.00           C
-ATOM    584  OG  SER    40       0.503  -7.475 -19.843  1.00  1.00           O
-ATOM    587  HB2 SER    40      -1.256  -6.539 -19.309  1.00  1.00           H
-ATOM    588  HB3 SER    40       0.150  -5.495 -19.387  1.00  1.00           H
-ATOM    589  HG  SER    40       0.022  -8.350 -19.785  1.00  1.00           H
-ATOM    590  N   SER    41       1.959  -5.994 -16.308  1.00  1.00           N
-ATOM    591  CA  SER    41       3.355  -6.008 -15.906  1.00  1.00           C
-ATOM    592  C   SER    41       3.462  -6.187 -14.390  1.00  1.00           C
-ATOM    593  O   SER    41       2.590  -5.740 -13.646  1.00  1.00           O
-ATOM    596  H   SER    41       1.382  -5.348 -15.807  1.00  1.00           H
-ATOM    597  HA  SER    41       3.795  -6.860 -16.424  1.00  1.00           H
-ATOM    594  CB  SER    41       4.067  -4.726 -16.340  1.00  1.00           C
-ATOM    595  OG  SER    41       5.052  -4.974 -17.339  1.00  1.00           O
-ATOM    598  HB2 SER    41       3.334  -4.015 -16.722  1.00  1.00           H
-ATOM    599  HB3 SER    41       4.538  -4.261 -15.474  1.00  1.00           H
-ATOM    600  HG  SER    41       5.652  -4.179 -17.433  1.00  1.00           H
-ATOM    601  N   PRO    42       4.566  -6.859 -13.967  1.00  1.00           N
-ATOM    602  CA  PRO    42       4.798  -7.103 -12.553  1.00  1.00           C
-ATOM    603  C   PRO    42       5.260  -5.826 -11.845  1.00  1.00           C
-ATOM    604  O   PRO    42       6.326  -5.804 -11.232  1.00  1.00           O
-ATOM    608  HA  PRO    42       3.947  -7.371 -12.103  1.00  1.00           H
-ATOM    605  CB  PRO    42       5.833  -8.214 -12.510  1.00  1.00           C
-ATOM    606  CG  PRO    42       6.484  -8.230 -13.884  1.00  1.00           C
-ATOM    607  CD  PRO    42       5.619  -7.402 -14.819  1.00  1.00           C
-ATOM    609  HB2 PRO    42       6.572  -8.029 -11.731  1.00  1.00           H
-ATOM    610  HB3 PRO    42       5.368  -9.174 -12.287  1.00  1.00           H
-ATOM    611  HG2 PRO    42       7.493  -7.821 -13.833  1.00  1.00           H
-ATOM    612  HG3 PRO    42       6.573  -9.253 -14.252  1.00  1.00           H
-ATOM    613  HD2 PRO    42       6.196  -6.607 -15.292  1.00  1.00           H
-ATOM    614  HD3 PRO    42       5.205  -8.013 -15.621  1.00  1.00           H
-ATOM    615  N   GLY    43       4.434  -4.796 -11.954  1.00  1.00           N
-ATOM    616  CA  GLY    43       4.744  -3.520 -11.332  1.00  1.00           C
-ATOM    617  C   GLY    43       4.787  -2.399 -12.373  1.00  1.00           C
-ATOM    618  O   GLY    43       5.863  -1.943 -12.755  1.00  1.00           O
-ATOM    619  H   GLY    43       3.569  -4.823 -12.455  1.00  1.00           H
-ATOM    620  HA2 GLY    43       3.996  -3.289 -10.574  1.00  1.00           H
-ATOM    621  HA3 GLY    43       5.706  -3.584 -10.822  1.00  1.00           H
-ATOM    622  N   GLN    44       3.603  -1.987 -12.800  1.00  1.00           N
-ATOM    623  CA  GLN    44       3.490  -0.928 -13.789  1.00  1.00           C
-ATOM    624  C   GLN    44       2.388   0.055 -13.390  1.00  1.00           C
-ATOM    625  O   GLN    44       1.444  -0.314 -12.694  1.00  1.00           O
-ATOM    631  H   GLN    44       2.732  -2.363 -12.483  1.00  1.00           H
-ATOM    632  HA  GLN    44       4.457  -0.423 -13.783  1.00  1.00           H
-ATOM    626  CB  GLN    44       3.234  -1.504 -15.183  1.00  1.00           C
-ATOM    627  CG  GLN    44       4.379  -1.159 -16.138  1.00  1.00           C
-ATOM    628  CD  GLN    44       3.841  -0.633 -17.470  1.00  1.00           C
-ATOM    629  OE1 GLN    44       3.130  -1.310 -18.193  1.00  1.00           O
-ATOM    630  NE2 GLN    44       4.220   0.610 -17.754  1.00  1.00           N
-ATOM    633  HB2 GLN    44       3.124  -2.586 -15.118  1.00  1.00           H
-ATOM    634  HB3 GLN    44       2.297  -1.110 -15.576  1.00  1.00           H
-ATOM    635  HG2 GLN    44       5.025  -0.409 -15.680  1.00  1.00           H
-ATOM    636  HG3 GLN    44       4.991  -2.043 -16.312  1.00  1.00           H
-ATOM    637 HE21 GLN    44       4.806   1.112 -17.117  1.00  1.00           H
-ATOM    638 HE22 GLN    44       3.920   1.043 -18.604  1.00  1.00           H
-ATOM    639  N   ARG    45       2.546   1.289 -13.849  1.00  1.00           N
-ATOM    640  CA  ARG    45       1.576   2.328 -13.549  1.00  1.00           C
-ATOM    641  C   ARG    45       1.145   3.039 -14.834  1.00  1.00           C
-ATOM    642  O   ARG    45       1.985   3.414 -15.651  1.00  1.00           O
-ATOM    650  H   ARG    45       3.317   1.581 -14.415  1.00  1.00           H
-ATOM    651  HA  ARG    45       0.737   1.803 -13.091  1.00  1.00           H
-ATOM    643  CB  ARG    45       2.153   3.357 -12.574  1.00  1.00           C
-ATOM    644  CG  ARG    45       2.649   2.680 -11.295  1.00  1.00           C
-ATOM    645  CD  ARG    45       4.105   2.232 -11.439  1.00  1.00           C
-ATOM    646  NE  ARG    45       4.689   1.975 -10.104  1.00  1.00           N
-ATOM    647  CZ  ARG    45       4.496   0.849  -9.404  1.00  1.00           C
-ATOM    648  NH1 ARG    45       3.731  -0.130  -9.907  1.00  1.00           N
-ATOM    649  NH2 ARG    45       5.066   0.702  -8.200  1.00  1.00           N
-ATOM    652  HB2 ARG    45       2.976   3.891 -13.050  1.00  1.00           H
-ATOM    653  HB3 ARG    45       1.392   4.097 -12.328  1.00  1.00           H
-ATOM    654  HG2 ARG    45       2.558   3.371 -10.456  1.00  1.00           H
-ATOM    655  HG3 ARG    45       2.020   1.820 -11.067  1.00  1.00           H
-ATOM    656  HD2 ARG    45       4.157   1.331 -12.049  1.00  1.00           H
-ATOM    657  HD3 ARG    45       4.681   3.000 -11.956  1.00  1.00           H
-ATOM    658  HE  ARG    45       5.265   2.685  -9.700  1.00  1.00           H
-ATOM    659 HH11 ARG    45       3.306  -0.020 -10.805  1.00  1.00           H
-ATOM    660 HH12 ARG    45       3.587  -0.971  -9.384  1.00  1.00           H
-ATOM    661 HH21 ARG    45       5.637   1.432  -7.825  1.00  1.00           H
-ATOM    662 HH22 ARG    45       4.922  -0.139  -7.678  1.00  1.00           H
-ATOM    663  N   SER    46      -0.162   3.203 -14.972  1.00  1.00           N
-ATOM    664  CA  SER    46      -0.714   3.862 -16.143  1.00  1.00           C
-ATOM    665  C   SER    46      -1.677   4.970 -15.715  1.00  1.00           C
-ATOM    666  O   SER    46      -1.937   5.147 -14.525  1.00  1.00           O
-ATOM    669  H   SER    46      -0.838   2.894 -14.302  1.00  1.00           H
-ATOM    670  HA  SER    46       0.143   4.282 -16.669  1.00  1.00           H
-ATOM    667  CB  SER    46      -1.429   2.860 -17.054  1.00  1.00           C
-ATOM    668  OG  SER    46      -0.510   2.020 -17.748  1.00  1.00           O
-ATOM    671  HB2 SER    46      -2.102   2.245 -16.458  1.00  1.00           H
-ATOM    672  HB3 SER    46      -2.043   3.400 -17.774  1.00  1.00           H
-ATOM    673  HG  SER    46      -1.009   1.351 -18.299  1.00  1.00           H
-ATOM    674  N   ILE    47      -2.182   5.689 -16.707  1.00  1.00           N
-ATOM    675  CA  ILE    47      -3.110   6.776 -16.448  1.00  1.00           C
-ATOM    676  C   ILE    47      -4.387   6.554 -17.262  1.00  1.00           C
-ATOM    677  O   ILE    47      -4.330   6.366 -18.475  1.00  1.00           O
-ATOM    682  H   ILE    47      -1.965   5.539 -17.672  1.00  1.00           H
-ATOM    683  HA  ILE    47      -3.364   6.742 -15.389  1.00  1.00           H
-ATOM    678  CB  ILE    47      -2.441   8.126 -16.710  1.00  1.00           C
-ATOM    679  CG1 ILE    47      -1.848   8.704 -15.422  1.00  1.00           C
-ATOM    680  CG2 ILE    47      -3.413   9.099 -17.380  1.00  1.00           C
-ATOM    681  CD1 ILE    47      -2.877   8.686 -14.290  1.00  1.00           C
-ATOM    684  HB  ILE    47      -1.614   7.969 -17.403  1.00  1.00           H
-ATOM    685 HG12 ILE    47      -0.971   8.125 -15.131  1.00  1.00           H
-ATOM    686 HG13 ILE    47      -1.513   9.726 -15.599  1.00  1.00           H
-ATOM    687 HG21 ILE    47      -4.381   9.046 -16.883  1.00  1.00           H
-ATOM    688 HG22 ILE    47      -3.022  10.114 -17.304  1.00  1.00           H
-ATOM    689 HG23 ILE    47      -3.529   8.833 -18.430  1.00  1.00           H
-ATOM    690 HD11 ILE    47      -3.882   8.666 -14.712  1.00  1.00           H
-ATOM    691 HD12 ILE    47      -2.723   7.800 -13.673  1.00  1.00           H
-ATOM    692 HD13 ILE    47      -2.757   9.580 -13.678  1.00  1.00           H
-ATOM    693  N   SER    48      -5.510   6.584 -16.559  1.00  1.00           N
-ATOM    694  CA  SER    48      -6.800   6.389 -17.201  1.00  1.00           C
-ATOM    695  C   SER    48      -7.630   7.670 -17.107  1.00  1.00           C
-ATOM    696  O   SER    48      -7.698   8.294 -16.049  1.00  1.00           O
-ATOM    699  H   SER    48      -5.548   6.737 -15.572  1.00  1.00           H
-ATOM    700  HA  SER    48      -6.572   6.156 -18.241  1.00  1.00           H
-ATOM    697  CB  SER    48      -7.556   5.218 -16.571  1.00  1.00           C
-ATOM    698  OG  SER    48      -7.105   4.940 -15.248  1.00  1.00           O
-ATOM    701  HB2 SER    48      -8.622   5.446 -16.549  1.00  1.00           H
-ATOM    702  HB3 SER    48      -7.432   4.330 -17.191  1.00  1.00           H
-ATOM    703  HG  SER    48      -6.867   5.792 -14.781  1.00  1.00           H
-ATOM    704  N   LEU    49      -8.240   8.026 -18.227  1.00  1.00           N
-ATOM    705  CA  LEU    49      -9.063   9.222 -18.285  1.00  1.00           C
-ATOM    706  C   LEU    49     -10.491   8.835 -18.680  1.00  1.00           C
-ATOM    707  O   LEU    49     -10.689   8.020 -19.580  1.00  1.00           O
-ATOM    712  H   LEU    49      -8.180   7.513 -19.084  1.00  1.00           H
-ATOM    713  HA  LEU    49      -9.087   9.650 -17.283  1.00  1.00           H
-ATOM    708  CB  LEU    49      -8.431  10.264 -19.208  1.00  1.00           C
-ATOM    709  CG  LEU    49      -6.913  10.171 -19.384  1.00  1.00           C
-ATOM    710  CD1 LEU    49      -6.193  10.413 -18.056  1.00  1.00           C
-ATOM    711  CD2 LEU    49      -6.515   8.837 -20.017  1.00  1.00           C
-ATOM    714  HB2 LEU    49      -8.895  10.182 -20.190  1.00  1.00           H
-ATOM    715  HB3 LEU    49      -8.672  11.255 -18.824  1.00  1.00           H
-ATOM    716  HG  LEU    49      -6.600  10.959 -20.068  1.00  1.00           H
-ATOM    717 HD11 LEU    49      -6.609  11.297 -17.572  1.00  1.00           H
-ATOM    718 HD12 LEU    49      -6.324   9.548 -17.408  1.00  1.00           H
-ATOM    719 HD13 LEU    49      -5.130  10.568 -18.243  1.00  1.00           H
-ATOM    720 HD21 LEU    49      -7.368   8.422 -20.555  1.00  1.00           H
-ATOM    721 HD22 LEU    49      -5.690   8.996 -20.711  1.00  1.00           H
-ATOM    722 HD23 LEU    49      -6.204   8.142 -19.236  1.00  1.00           H
-ATOM    723  N   ARG    50     -11.446   9.440 -17.990  1.00  1.00           N
-ATOM    724  CA  ARG    50     -12.848   9.168 -18.259  1.00  1.00           C
-ATOM    725  C   ARG    50     -13.558  10.446 -18.712  1.00  1.00           C
-ATOM    726  O   ARG    50     -13.614  11.425 -17.971  1.00  1.00           O
-ATOM    734  H   ARG    50     -11.276  10.101 -17.260  1.00  1.00           H
-ATOM    735  HA  ARG    50     -12.841   8.421 -19.052  1.00  1.00           H
-ATOM    727  CB  ARG    50     -13.550   8.617 -17.016  1.00  1.00           C
-ATOM    728  CG  ARG    50     -15.039   8.387 -17.284  1.00  1.00           C
-ATOM    729  CD  ARG    50     -15.901   9.118 -16.253  1.00  1.00           C
-ATOM    730  NE  ARG    50     -15.562   8.653 -14.890  1.00  1.00           N
-ATOM    731  CZ  ARG    50     -16.470   8.296 -13.970  1.00  1.00           C
-ATOM    732  NH1 ARG    50     -17.776   8.349 -14.263  1.00  1.00           N
-ATOM    733  NH2 ARG    50     -16.071   7.886 -12.758  1.00  1.00           N
-ATOM    736  HB2 ARG    50     -13.082   7.679 -16.715  1.00  1.00           H
-ATOM    737  HB3 ARG    50     -13.429   9.313 -16.187  1.00  1.00           H
-ATOM    738  HG2 ARG    50     -15.290   8.735 -18.286  1.00  1.00           H
-ATOM    739  HG3 ARG    50     -15.257   7.319 -17.254  1.00  1.00           H
-ATOM    740  HD2 ARG    50     -15.741  10.193 -16.329  1.00  1.00           H
-ATOM    741  HD3 ARG    50     -16.957   8.938 -16.455  1.00  1.00           H
-ATOM    742  HE  ARG    50     -14.596   8.602 -14.638  1.00  1.00           H
-ATOM    743 HH11 ARG    50     -18.074   8.655 -15.167  1.00  1.00           H
-ATOM    744 HH12 ARG    50     -18.454   8.082 -13.578  1.00  1.00           H
-ATOM    745 HH21 ARG    50     -15.096   7.847 -12.540  1.00  1.00           H
-ATOM    746 HH22 ARG    50     -16.748   7.620 -12.073  1.00  1.00           H
-ATOM    747  N   TYR    51     -14.083  10.393 -19.927  1.00  1.00           N
-ATOM    748  CA  TYR    51     -14.787  11.534 -20.489  1.00  1.00           C
-ATOM    749  C   TYR    51     -16.290  11.435 -20.222  1.00  1.00           C
-ATOM    750  O   TYR    51     -16.716  10.766 -19.282  1.00  1.00           O
-ATOM    759  H   TYR    51     -14.033   9.592 -20.524  1.00  1.00           H
-ATOM    760  HA  TYR    51     -14.400  12.435 -20.013  1.00  1.00           H
-ATOM    751  CB  TYR    51     -14.543  11.480 -21.998  1.00  1.00           C
-ATOM    752  CG  TYR    51     -13.771  12.680 -22.548  1.00  1.00           C
-ATOM    753  CD1 TYR    51     -14.409  13.894 -22.711  1.00  1.00           C
-ATOM    754  CD2 TYR    51     -12.438  12.551 -22.878  1.00  1.00           C
-ATOM    755  CE1 TYR    51     -13.682  15.025 -23.228  1.00  1.00           C
-ATOM    756  CE2 TYR    51     -11.711  13.682 -23.395  1.00  1.00           C
-ATOM    757  CZ  TYR    51     -12.369  14.863 -23.545  1.00  1.00           C
-ATOM    758  OH  TYR    51     -11.682  15.930 -24.034  1.00  1.00           O
-ATOM    761  HB2 TYR    51     -13.993  10.569 -22.234  1.00  1.00           H
-ATOM    762  HB3 TYR    51     -15.503  11.414 -22.508  1.00  1.00           H
-ATOM    763  HD1 TYR    51     -15.461  13.996 -22.451  1.00  1.00           H
-ATOM    764  HD2 TYR    51     -11.934  11.594 -22.748  1.00  1.00           H
-ATOM    765  HE1 TYR    51     -14.173  15.988 -23.364  1.00  1.00           H
-ATOM    766  HE2 TYR    51     -10.658  13.593 -23.661  1.00  1.00           H
-ATOM    767  HH  TYR    51     -11.039  16.267 -23.346  1.00  1.00           H
-ATOM    768  N   GLU    52     -17.054  12.110 -21.069  1.00  1.00           N
-ATOM    769  CA  GLU    52     -18.501  12.107 -20.938  1.00  1.00           C
-ATOM    770  C   GLU    52     -19.071  10.759 -21.384  1.00  1.00           C
-ATOM    771  O   GLU    52     -20.245  10.665 -21.740  1.00  1.00           O
-ATOM    777  H   GLU    52     -16.700  12.652 -21.832  1.00  1.00           H
-ATOM    778  HA  GLU    52     -18.696  12.258 -19.876  1.00  1.00           H
-ATOM    772  CB  GLU    52     -19.126  13.256 -21.731  1.00  1.00           C
-ATOM    773  CG  GLU    52     -18.988  14.581 -20.978  1.00  1.00           C
-ATOM    774  CD  GLU    52     -18.317  15.642 -21.853  1.00  1.00           C
-ATOM    775  OE1 GLU    52     -17.069  15.698 -21.820  1.00  1.00           O
-ATOM    776  OE2 GLU    52     -19.069  16.373 -22.535  1.00  1.00           O
-ATOM    779  HB2 GLU    52     -18.644  13.336 -22.705  1.00  1.00           H
-ATOM    780  HB3 GLU    52     -20.180  13.046 -21.913  1.00  1.00           H
-ATOM    781  HG2 GLU    52     -19.972  14.930 -20.666  1.00  1.00           H
-ATOM    782  HG3 GLU    52     -18.402  14.429 -20.071  1.00  1.00           H
-ATOM    783  N   GLY    53     -18.214   9.750 -21.351  1.00  1.00           N
-ATOM    784  CA  GLY    53     -18.618   8.412 -21.748  1.00  1.00           C
-ATOM    785  C   GLY    53     -17.442   7.641 -22.353  1.00  1.00           C
-ATOM    786  O   GLY    53     -17.471   6.413 -22.425  1.00  1.00           O
-ATOM    787  H   GLY    53     -17.260   9.835 -21.060  1.00  1.00           H
-ATOM    788  HA2 GLY    53     -19.002   7.873 -20.882  1.00  1.00           H
-ATOM    789  HA3 GLY    53     -19.429   8.473 -22.472  1.00  1.00           H
-ATOM    790  N   ARG    54     -16.437   8.394 -22.774  1.00  1.00           N
-ATOM    791  CA  ARG    54     -15.254   7.798 -23.371  1.00  1.00           C
-ATOM    792  C   ARG    54     -14.211   7.495 -22.294  1.00  1.00           C
-ATOM    793  O   ARG    54     -14.222   8.103 -21.225  1.00  1.00           O
-ATOM    801  H   ARG    54     -16.421   9.392 -22.712  1.00  1.00           H
-ATOM    802  HA  ARG    54     -15.611   6.880 -23.840  1.00  1.00           H
-ATOM    794  CB  ARG    54     -14.640   8.726 -24.421  1.00  1.00           C
-ATOM    795  CG  ARG    54     -15.065   8.315 -25.832  1.00  1.00           C
-ATOM    796  CD  ARG    54     -13.855   8.209 -26.762  1.00  1.00           C
-ATOM    797  NE  ARG    54     -14.304   8.046 -28.162  1.00  1.00           N
-ATOM    798  CZ  ARG    54     -14.862   9.021 -28.891  1.00  1.00           C
-ATOM    799  NH1 ARG    54     -15.043  10.237 -28.357  1.00  1.00           N
-ATOM    800  NH2 ARG    54     -15.239   8.781 -30.155  1.00  1.00           N
-ATOM    803  HB2 ARG    54     -14.948   9.753 -24.229  1.00  1.00           H
-ATOM    804  HB3 ARG    54     -13.553   8.699 -24.343  1.00  1.00           H
-ATOM    805  HG2 ARG    54     -15.585   7.358 -25.795  1.00  1.00           H
-ATOM    806  HG3 ARG    54     -15.771   9.045 -26.229  1.00  1.00           H
-ATOM    807  HD2 ARG    54     -13.238   9.104 -26.672  1.00  1.00           H
-ATOM    808  HD3 ARG    54     -13.234   7.363 -26.469  1.00  1.00           H
-ATOM    809  HE  ARG    54     -14.184   7.150 -28.591  1.00  1.00           H
-ATOM    810 HH11 ARG    54     -14.761  10.416 -27.415  1.00  1.00           H
-ATOM    811 HH12 ARG    54     -15.459  10.965 -28.902  1.00  1.00           H
-ATOM    812 HH21 ARG    54     -15.105   7.874 -30.553  1.00  1.00           H
-ATOM    813 HH22 ARG    54     -15.656   9.510 -30.699  1.00  1.00           H
-ATOM    814  N   VAL    55     -13.332   6.556 -22.614  1.00  1.00           N
-ATOM    815  CA  VAL    55     -12.284   6.166 -21.686  1.00  1.00           C
-ATOM    816  C   VAL    55     -10.960   6.040 -22.444  1.00  1.00           C
-ATOM    817  O   VAL    55     -10.806   5.162 -23.291  1.00  1.00           O
-ATOM    821  H   VAL    55     -13.329   6.066 -23.486  1.00  1.00           H
-ATOM    822  HA  VAL    55     -12.189   6.958 -20.943  1.00  1.00           H
-ATOM    818  CB  VAL    55     -12.681   4.879 -20.959  1.00  1.00           C
-ATOM    819  CG1 VAL    55     -11.885   4.715 -19.662  1.00  1.00           C
-ATOM    820  CG2 VAL    55     -14.186   4.845 -20.687  1.00  1.00           C
-ATOM    823  HB  VAL    55     -12.439   4.039 -21.610  1.00  1.00           H
-ATOM    824 HG11 VAL    55     -11.040   5.404 -19.664  1.00  1.00           H
-ATOM    825 HG12 VAL    55     -12.529   4.932 -18.811  1.00  1.00           H
-ATOM    826 HG13 VAL    55     -11.518   3.690 -19.589  1.00  1.00           H
-ATOM    827 HG21 VAL    55     -14.566   5.865 -20.622  1.00  1.00           H
-ATOM    828 HG22 VAL    55     -14.690   4.320 -21.498  1.00  1.00           H
-ATOM    829 HG23 VAL    55     -14.374   4.327 -19.747  1.00  1.00           H
-ATOM    830  N   TYR    56     -10.038   6.931 -22.111  1.00  1.00           N
-ATOM    831  CA  TYR    56      -8.732   6.931 -22.749  1.00  1.00           C
-ATOM    832  C   TYR    56      -7.694   6.227 -21.872  1.00  1.00           C
-ATOM    833  O   TYR    56      -7.857   6.142 -20.656  1.00  1.00           O
-ATOM    842  H   TYR    56     -10.170   7.642 -21.421  1.00  1.00           H
-ATOM    843  HA  TYR    56      -8.821   6.397 -23.695  1.00  1.00           H
-ATOM    834  CB  TYR    56      -8.338   8.401 -22.904  1.00  1.00           C
-ATOM    835  CG  TYR    56      -8.987   9.096 -24.103  1.00  1.00           C
-ATOM    836  CD1 TYR    56     -10.241   9.661 -23.978  1.00  1.00           C
-ATOM    837  CD2 TYR    56      -8.320   9.157 -25.310  1.00  1.00           C
-ATOM    838  CE1 TYR    56     -10.851  10.314 -25.107  1.00  1.00           C
-ATOM    839  CE2 TYR    56      -8.931   9.811 -26.438  1.00  1.00           C
-ATOM    840  CZ  TYR    56     -10.165  10.357 -26.281  1.00  1.00           C
-ATOM    841  OH  TYR    56     -10.742  10.974 -27.347  1.00  1.00           O
-ATOM    844  HB2 TYR    56      -8.612   8.938 -21.996  1.00  1.00           H
-ATOM    845  HB3 TYR    56      -7.255   8.469 -23.001  1.00  1.00           H
-ATOM    846  HD1 TYR    56     -10.767   9.613 -23.026  1.00  1.00           H
-ATOM    847  HD2 TYR    56      -7.330   8.710 -25.408  1.00  1.00           H
-ATOM    848  HE1 TYR    56     -11.840  10.765 -25.022  1.00  1.00           H
-ATOM    849  HE2 TYR    56      -8.414   9.866 -27.396  1.00  1.00           H
-ATOM    850  HH  TYR    56     -10.174  10.854 -28.161  1.00  1.00           H
-ATOM    851  N   HIS    57      -6.648   5.741 -22.525  1.00  1.00           N
-ATOM    852  CA  HIS    57      -5.583   5.047 -21.820  1.00  1.00           C
-ATOM    853  C   HIS    57      -4.240   5.704 -22.146  1.00  1.00           C
-ATOM    854  O   HIS    57      -3.771   5.639 -23.281  1.00  1.00           O
-ATOM    861  H   HIS    57      -6.523   5.814 -23.514  1.00  1.00           H
-ATOM    862  HA  HIS    57      -5.786   5.162 -20.756  1.00  1.00           H
-ATOM    855  CB  HIS    57      -5.604   3.551 -22.142  1.00  1.00           C
-ATOM    856  CG  HIS    57      -6.963   2.910 -21.990  1.00  1.00           C
-ATOM    857  ND1 HIS    57      -7.452   2.468 -20.773  1.00  1.00           N
-ATOM    858  CD2 HIS    57      -7.930   2.640 -22.914  1.00  1.00           C
-ATOM    859  CE1 HIS    57      -8.660   1.958 -20.969  1.00  1.00           C
-ATOM    860  NE2 HIS    57      -8.953   2.065 -22.296  1.00  1.00           N
-ATOM    863  HB2 HIS    57      -5.256   3.404 -23.164  1.00  1.00           H
-ATOM    864  HB3 HIS    57      -4.898   3.040 -21.488  1.00  1.00           H
-ATOM    865  HD1 HIS    57      -6.976   2.525 -19.896  1.00  1.00           H
-ATOM    866  HD2 HIS    57      -7.871   2.861 -23.980  1.00  1.00           H
-ATOM    867  HE1 HIS    57      -9.304   1.528 -20.202  1.00  1.00           H
-ATOM    868  N   TYR    58      -3.659   6.322 -21.128  1.00  1.00           N
-ATOM    869  CA  TYR    58      -2.379   6.992 -21.291  1.00  1.00           C
-ATOM    870  C   TYR    58      -1.389   6.549 -20.212  1.00  1.00           C
-ATOM    871  O   TYR    58      -1.273   7.192 -19.170  1.00  1.00           O
-ATOM    880  H   TYR    58      -4.048   6.372 -20.208  1.00  1.00           H
-ATOM    881  HA  TYR    58      -1.982   6.724 -22.270  1.00  1.00           H
-ATOM    872  CB  TYR    58      -2.661   8.486 -21.126  1.00  1.00           C
-ATOM    873  CG  TYR    58      -2.385   9.314 -22.383  1.00  1.00           C
-ATOM    874  CD1 TYR    58      -1.103   9.746 -22.656  1.00  1.00           C
-ATOM    875  CD2 TYR    58      -3.417   9.627 -23.243  1.00  1.00           C
-ATOM    876  CE1 TYR    58      -0.843  10.525 -23.839  1.00  1.00           C
-ATOM    877  CE2 TYR    58      -3.158  10.406 -24.426  1.00  1.00           C
-ATOM    878  CZ  TYR    58      -1.883  10.816 -24.666  1.00  1.00           C
-ATOM    879  OH  TYR    58      -1.638  11.552 -25.783  1.00  1.00           O
-ATOM    882  HB2 TYR    58      -3.704   8.619 -20.838  1.00  1.00           H
-ATOM    883  HB3 TYR    58      -2.052   8.872 -20.308  1.00  1.00           H
-ATOM    884  HD1 TYR    58      -0.287   9.498 -21.977  1.00  1.00           H
-ATOM    885  HD2 TYR    58      -4.430   9.285 -23.028  1.00  1.00           H
-ATOM    886  HE1 TYR    58       0.164  10.874 -24.067  1.00  1.00           H
-ATOM    887  HE2 TYR    58      -3.963  10.661 -25.114  1.00  1.00           H
-ATOM    888  HH  TYR    58      -1.781  10.992 -26.599  1.00  1.00           H
-ATOM    889  N   ARG    59      -0.700   5.454 -20.499  1.00  1.00           N
-ATOM    890  CA  ARG    59       0.277   4.918 -19.568  1.00  1.00           C
-ATOM    891  C   ARG    59       1.103   6.051 -18.954  1.00  1.00           C
-ATOM    892  O   ARG    59       1.104   7.170 -19.466  1.00  1.00           O
-ATOM    900  H   ARG    59      -0.800   4.937 -21.350  1.00  1.00           H
-ATOM    901  HA  ARG    59      -0.314   4.408 -18.807  1.00  1.00           H
-ATOM    893  CB  ARG    59       1.216   3.930 -20.261  1.00  1.00           C
-ATOM    894  CG  ARG    59       1.321   4.231 -21.758  1.00  1.00           C
-ATOM    895  CD  ARG    59       2.674   3.784 -22.313  1.00  1.00           C
-ATOM    896  NE  ARG    59       2.480   2.732 -23.335  1.00  1.00           N
-ATOM    897  CZ  ARG    59       2.053   2.966 -24.584  1.00  1.00           C
-ATOM    898  NH1 ARG    59       1.774   4.218 -24.972  1.00  1.00           N
-ATOM    899  NH2 ARG    59       1.906   1.949 -25.444  1.00  1.00           N
-ATOM    902  HB2 ARG    59       2.205   3.981 -19.806  1.00  1.00           H
-ATOM    903  HB3 ARG    59       0.851   2.913 -20.117  1.00  1.00           H
-ATOM    904  HG2 ARG    59       0.519   3.723 -22.292  1.00  1.00           H
-ATOM    905  HG3 ARG    59       1.189   5.300 -21.927  1.00  1.00           H
-ATOM    906  HD2 ARG    59       3.197   4.636 -22.751  1.00  1.00           H
-ATOM    907  HD3 ARG    59       3.302   3.407 -21.506  1.00  1.00           H
-ATOM    908  HE  ARG    59       2.680   1.786 -23.078  1.00  1.00           H
-ATOM    909 HH11 ARG    59       1.885   4.977 -24.330  1.00  1.00           H
-ATOM    910 HH12 ARG    59       1.455   4.393 -25.903  1.00  1.00           H
-ATOM    911 HH21 ARG    59       2.113   1.015 -25.154  1.00  1.00           H
-ATOM    912 HH22 ARG    59       1.586   2.124 -26.375  1.00  1.00           H
-ATOM    913  N   ILE    60       1.786   5.722 -17.868  1.00  1.00           N
-ATOM    914  CA  ILE    60       2.614   6.698 -17.179  1.00  1.00           C
-ATOM    915  C   ILE    60       3.788   7.088 -18.078  1.00  1.00           C
-ATOM    916  O   ILE    60       4.088   8.270 -18.238  1.00  1.00           O
-ATOM    921  H   ILE    60       1.779   4.810 -17.458  1.00  1.00           H
-ATOM    922  HA  ILE    60       2.001   7.583 -17.009  1.00  1.00           H
-ATOM    917  CB  ILE    60       3.037   6.169 -15.808  1.00  1.00           C
-ATOM    918  CG1 ILE    60       1.830   6.023 -14.879  1.00  1.00           C
-ATOM    919  CG2 ILE    60       4.130   7.048 -15.195  1.00  1.00           C
-ATOM    920  CD1 ILE    60       1.393   7.382 -14.330  1.00  1.00           C
-ATOM    923  HB  ILE    60       3.463   5.175 -15.942  1.00  1.00           H
-ATOM    924 HG12 ILE    60       1.004   5.563 -15.422  1.00  1.00           H
-ATOM    925 HG13 ILE    60       2.080   5.356 -14.055  1.00  1.00           H
-ATOM    926 HG21 ILE    60       3.833   8.095 -15.263  1.00  1.00           H
-ATOM    927 HG22 ILE    60       4.269   6.777 -14.149  1.00  1.00           H
-ATOM    928 HG23 ILE    60       5.062   6.899 -15.737  1.00  1.00           H
-ATOM    929 HD11 ILE    60       1.428   8.124 -15.128  1.00  1.00           H
-ATOM    930 HD12 ILE    60       0.375   7.309 -13.947  1.00  1.00           H
-ATOM    931 HD13 ILE    60       2.064   7.682 -13.526  1.00  1.00           H
-ATOM    932  N   ASN    61       4.422   6.071 -18.643  1.00  1.00           N
-ATOM    933  CA  ASN    61       5.558   6.291 -19.523  1.00  1.00           C
-ATOM    934  C   ASN    61       6.760   6.748 -18.692  1.00  1.00           C
-ATOM    935  O   ASN    61       6.676   7.737 -17.966  1.00  1.00           O
-ATOM    940  H   ASN    61       4.172   5.111 -18.510  1.00  1.00           H
-ATOM    941  HA  ASN    61       5.731   5.333 -20.014  1.00  1.00           H
-ATOM    936  CB  ASN    61       5.254   7.381 -20.553  1.00  1.00           C
-ATOM    937  CG  ASN    61       6.393   7.513 -21.565  1.00  1.00           C
-ATOM    938  OD1 ASN    61       7.500   7.042 -21.357  1.00  1.00           O
-ATOM    939  ND2 ASN    61       6.063   8.177 -22.669  1.00  1.00           N
-ATOM    942  HB2 ASN    61       4.325   7.145 -21.073  1.00  1.00           H
-ATOM    943  HB3 ASN    61       5.102   8.334 -20.045  1.00  1.00           H
-ATOM    944 HD21 ASN    61       5.136   8.537 -22.777  1.00  1.00           H
-ATOM    945 HD22 ASN    61       6.740   8.315 -23.391  1.00  1.00           H
-ATOM    946  N   THR    62       7.848   6.006 -18.827  1.00  1.00           N
-ATOM    947  CA  THR    62       9.065   6.322 -18.098  1.00  1.00           C
-ATOM    948  C   THR    62      10.137   6.848 -19.054  1.00  1.00           C
-ATOM    949  O   THR    62      10.081   6.596 -20.256  1.00  1.00           O
-ATOM    953  H   THR    62       7.907   5.202 -19.420  1.00  1.00           H
-ATOM    954  HA  THR    62       8.844   7.123 -17.393  1.00  1.00           H
-ATOM    950  CB  THR    62       9.495   5.070 -17.331  1.00  1.00           C
-ATOM    951  OG1 THR    62       8.275   4.532 -16.830  1.00  1.00           O
-ATOM    952  CG2 THR    62      10.300   5.402 -16.073  1.00  1.00           C
-ATOM    955  HB  THR    62      10.048   4.388 -17.977  1.00  1.00           H
-ATOM    956  HG1 THR    62       7.801   5.217 -16.277  1.00  1.00           H
-ATOM    957 HG21 THR    62      10.664   6.428 -16.134  1.00  1.00           H
-ATOM    958 HG22 THR    62       9.662   5.295 -15.195  1.00  1.00           H
-ATOM    959 HG23 THR    62      11.147   4.720 -15.992  1.00  1.00           H
-ATOM    960  N   ALA    63      11.090   7.570 -18.482  1.00  1.00           N
-ATOM    961  CA  ALA    63      12.174   8.135 -19.268  1.00  1.00           C
-ATOM    962  C   ALA    63      13.329   7.132 -19.330  1.00  1.00           C
-ATOM    963  O   ALA    63      13.177   5.980 -18.926  1.00  1.00           O
-ATOM    965  H   ALA    63      11.129   7.771 -17.504  1.00  1.00           H
-ATOM    966  HA  ALA    63      11.799   8.306 -20.276  1.00  1.00           H
-ATOM    964  CB  ALA    63      12.598   9.474 -18.664  1.00  1.00           C
-ATOM    967  HB1 ALA    63      11.750   9.927 -18.151  1.00  1.00           H
-ATOM    968  HB2 ALA    63      13.409   9.313 -17.954  1.00  1.00           H
-ATOM    969  HB3 ALA    63      12.940  10.139 -19.459  1.00  1.00           H
-ATOM    970  N   SER    64      14.455   7.606 -19.842  1.00  1.00           N
-ATOM    971  CA  SER    64      15.634   6.765 -19.963  1.00  1.00           C
-ATOM    972  C   SER    64      16.500   6.894 -18.707  1.00  1.00           C
-ATOM    973  O   SER    64      17.725   6.833 -18.785  1.00  1.00           O
-ATOM    976  H   SER    64      14.569   8.544 -20.169  1.00  1.00           H
-ATOM    977  HA  SER    64      15.255   5.749 -20.064  1.00  1.00           H
-ATOM    974  CB  SER    64      16.446   7.132 -21.207  1.00  1.00           C
-ATOM    975  OG  SER    64      16.642   8.538 -21.321  1.00  1.00           O
-ATOM    978  HB2 SER    64      17.414   6.632 -21.168  1.00  1.00           H
-ATOM    979  HB3 SER    64      15.934   6.764 -22.095  1.00  1.00           H
-ATOM    980  HG  SER    64      16.593   8.965 -20.418  1.00  1.00           H
-ATOM    981  N   ASP    65      15.827   7.070 -17.579  1.00  1.00           N
-ATOM    982  CA  ASP    65      16.519   7.207 -16.309  1.00  1.00           C
-ATOM    983  C   ASP    65      15.633   6.659 -15.189  1.00  1.00           C
-ATOM    984  O   ASP    65      16.053   5.787 -14.431  1.00  1.00           O
-ATOM    989  H   ASP    65      14.829   7.118 -17.525  1.00  1.00           H
-ATOM    990  HA  ASP    65      17.443   6.641 -16.424  1.00  1.00           H
-ATOM    985  CB  ASP    65      16.818   8.675 -16.001  1.00  1.00           C
-ATOM    986  CG  ASP    65      17.076   8.986 -14.525  1.00  1.00           C
-ATOM    987  OD1 ASP    65      18.159   8.590 -14.042  1.00  1.00           O
-ATOM    988  OD2 ASP    65      16.184   9.614 -13.914  1.00  1.00           O
-ATOM    991  HB2 ASP    65      17.689   8.983 -16.579  1.00  1.00           H
-ATOM    992  HB3 ASP    65      15.979   9.281 -16.343  1.00  1.00           H
-ATOM    993  N   GLY    66      14.422   7.193 -15.120  1.00  1.00           N
-ATOM    994  CA  GLY    66      13.473   6.769 -14.105  1.00  1.00           C
-ATOM    995  C   GLY    66      12.241   7.675 -14.095  1.00  1.00           C
-ATOM    996  O   GLY    66      11.117   7.198 -13.936  1.00  1.00           O
-ATOM    997  H   GLY    66      14.088   7.903 -15.741  1.00  1.00           H
-ATOM    998  HA2 GLY    66      13.171   5.739 -14.293  1.00  1.00           H
-ATOM    999  HA3 GLY    66      13.951   6.788 -13.125  1.00  1.00           H
-ATOM   1000  N   LYS    67      12.491   8.964 -14.266  1.00  1.00           N
-ATOM   1001  CA  LYS    67      11.415   9.941 -14.279  1.00  1.00           C
-ATOM   1002  C   LYS    67      10.252   9.402 -15.116  1.00  1.00           C
-ATOM   1003  O   LYS    67      10.458   8.602 -16.028  1.00  1.00           O
-ATOM   1009  H   LYS    67      13.408   9.344 -14.394  1.00  1.00           H
-ATOM   1010  HA  LYS    67      11.073  10.064 -13.251  1.00  1.00           H
-ATOM   1004  CB  LYS    67      11.932  11.302 -14.748  1.00  1.00           C
-ATOM   1005  CG  LYS    67      12.988  11.139 -15.844  1.00  1.00           C
-ATOM   1006  CD  LYS    67      14.362  11.600 -15.355  1.00  1.00           C
-ATOM   1007  CE  LYS    67      14.862  12.794 -16.170  1.00  1.00           C
-ATOM   1008  NZ  LYS    67      15.516  12.334 -17.416  1.00  1.00           N
-ATOM   1011  HB2 LYS    67      11.102  11.901 -15.124  1.00  1.00           H
-ATOM   1012  HB3 LYS    67      12.359  11.844 -13.905  1.00  1.00           H
-ATOM   1013  HG2 LYS    67      13.039  10.095 -16.152  1.00  1.00           H
-ATOM   1014  HG3 LYS    67      12.698  11.716 -16.723  1.00  1.00           H
-ATOM   1015  HD2 LYS    67      14.304  11.873 -14.301  1.00  1.00           H
-ATOM   1016  HD3 LYS    67      15.074  10.779 -15.432  1.00  1.00           H
-ATOM   1017  HE2 LYS    67      14.027  13.453 -16.411  1.00  1.00           H
-ATOM   1018  HE3 LYS    67      15.567  13.378 -15.577  1.00  1.00           H
-ATOM   1019  HZ1 LYS    67      15.207  11.408 -17.632  1.00  1.00           H
-ATOM   1020  HZ2 LYS    67      15.272  12.949 -18.166  1.00  1.00           H
-ATOM   1021  HZ3 LYS    67      16.508  12.335 -17.292  1.00  1.00           H
-ATOM   1022  N   LEU    68       9.058   9.862 -14.775  1.00  1.00           N
-ATOM   1023  CA  LEU    68       7.862   9.436 -15.483  1.00  1.00           C
-ATOM   1024  C   LEU    68       7.406  10.554 -16.423  1.00  1.00           C
-ATOM   1025  O   LEU    68       6.817  11.539 -15.981  1.00  1.00           O
-ATOM   1030  H   LEU    68       8.899  10.512 -14.031  1.00  1.00           H
-ATOM   1031  HA  LEU    68       8.131   8.567 -16.084  1.00  1.00           H
-ATOM   1026  CB  LEU    68       6.785   8.986 -14.494  1.00  1.00           C
-ATOM   1027  CG  LEU    68       7.242   8.019 -13.400  1.00  1.00           C
-ATOM   1028  CD1 LEU    68       6.335   8.115 -12.171  1.00  1.00           C
-ATOM   1029  CD2 LEU    68       7.334   6.589 -13.934  1.00  1.00           C
-ATOM   1032  HB2 LEU    68       6.365   9.871 -14.018  1.00  1.00           H
-ATOM   1033  HB3 LEU    68       5.980   8.513 -15.055  1.00  1.00           H
-ATOM   1034  HG  LEU    68       8.244   8.310 -13.083  1.00  1.00           H
-ATOM   1035 HD11 LEU    68       5.903   9.115 -12.115  1.00  1.00           H
-ATOM   1036 HD12 LEU    68       5.535   7.378 -12.251  1.00  1.00           H
-ATOM   1037 HD13 LEU    68       6.919   7.920 -11.272  1.00  1.00           H
-ATOM   1038 HD21 LEU    68       6.877   6.541 -14.923  1.00  1.00           H
-ATOM   1039 HD22 LEU    68       8.380   6.292 -14.003  1.00  1.00           H
-ATOM   1040 HD23 LEU    68       6.808   5.915 -13.258  1.00  1.00           H
-ATOM   1041  N   TYR    69       7.696  10.364 -17.701  1.00  1.00           N
-ATOM   1042  CA  TYR    69       7.324  11.344 -18.707  1.00  1.00           C
-ATOM   1043  C   TYR    69       6.294  10.766 -19.681  1.00  1.00           C
-ATOM   1044  O   TYR    69       6.551   9.756 -20.335  1.00  1.00           O
-ATOM   1053  H   TYR    69       8.176   9.560 -18.053  1.00  1.00           H
-ATOM   1054  HA  TYR    69       6.887  12.201 -18.196  1.00  1.00           H
-ATOM   1045  CB  TYR    69       8.606  11.671 -19.474  1.00  1.00           C
-ATOM   1046  CG  TYR    69       8.828  10.802 -20.714  1.00  1.00           C
-ATOM   1047  CD1 TYR    69       8.048  10.992 -21.837  1.00  1.00           C
-ATOM   1048  CD2 TYR    69       9.807   9.829 -20.709  1.00  1.00           C
-ATOM   1049  CE1 TYR    69       8.257  10.174 -23.005  1.00  1.00           C
-ATOM   1050  CE2 TYR    69      10.015   9.012 -21.877  1.00  1.00           C
-ATOM   1051  CZ  TYR    69       9.230   9.225 -22.967  1.00  1.00           C
-ATOM   1052  OH  TYR    69       9.427   8.453 -24.069  1.00  1.00           O
-ATOM   1055  HB2 TYR    69       8.580  12.718 -19.777  1.00  1.00           H
-ATOM   1056  HB3 TYR    69       9.457  11.553 -18.805  1.00  1.00           H
-ATOM   1057  HD1 TYR    69       7.276  11.760 -21.841  1.00  1.00           H
-ATOM   1058  HD2 TYR    69      10.421   9.679 -19.823  1.00  1.00           H
-ATOM   1059  HE1 TYR    69       7.649  10.314 -23.899  1.00  1.00           H
-ATOM   1060  HE2 TYR    69      10.784   8.239 -21.887  1.00  1.00           H
-ATOM   1061  HH  TYR    69       8.930   7.590 -23.975  1.00  1.00           H
-ATOM   1062  N   VAL    70       5.150  11.431 -19.746  1.00  1.00           N
-ATOM   1063  CA  VAL    70       4.081  10.997 -20.629  1.00  1.00           C
-ATOM   1064  C   VAL    70       4.419  11.397 -22.067  1.00  1.00           C
-ATOM   1065  O   VAL    70       4.293  10.588 -22.985  1.00  1.00           O
-ATOM   1069  H   VAL    70       4.949  12.252 -19.211  1.00  1.00           H
-ATOM   1070  HA  VAL    70       4.028   9.910 -20.570  1.00  1.00           H
-ATOM   1066  CB  VAL    70       2.743  11.563 -20.149  1.00  1.00           C
-ATOM   1067  CG1 VAL    70       1.630  11.268 -21.156  1.00  1.00           C
-ATOM   1068  CG2 VAL    70       2.385  11.025 -18.762  1.00  1.00           C
-ATOM   1071  HB  VAL    70       2.847  12.646 -20.071  1.00  1.00           H
-ATOM   1072 HG11 VAL    70       1.668  10.217 -21.442  1.00  1.00           H
-ATOM   1073 HG12 VAL    70       0.663  11.487 -20.703  1.00  1.00           H
-ATOM   1074 HG13 VAL    70       1.766  11.891 -22.041  1.00  1.00           H
-ATOM   1075 HG21 VAL    70       2.831  10.038 -18.630  1.00  1.00           H
-ATOM   1076 HG22 VAL    70       2.769  11.702 -17.999  1.00  1.00           H
-ATOM   1077 HG23 VAL    70       1.302  10.950 -18.670  1.00  1.00           H
-ATOM   1078  N   SER    71       4.840  12.644 -22.217  1.00  1.00           N
-ATOM   1079  CA  SER    71       5.196  13.160 -23.528  1.00  1.00           C
-ATOM   1080  C   SER    71       6.702  13.011 -23.757  1.00  1.00           C
-ATOM   1081  O   SER    71       7.128  12.217 -24.595  1.00  1.00           O
-ATOM   1084  H   SER    71       4.939  13.295 -21.465  1.00  1.00           H
-ATOM   1085  HA  SER    71       4.637  12.553 -24.239  1.00  1.00           H
-ATOM   1082  CB  SER    71       4.781  14.626 -23.673  1.00  1.00           C
-ATOM   1083  OG  SER    71       5.261  15.199 -24.886  1.00  1.00           O
-ATOM   1086  HB2 SER    71       3.694  14.699 -23.643  1.00  1.00           H
-ATOM   1087  HB3 SER    71       5.161  15.197 -22.826  1.00  1.00           H
-ATOM   1088  HG  SER    71       5.114  16.188 -24.879  1.00  1.00           H
-ATOM   1089  N   SER    72       7.464  13.785 -23.000  1.00  1.00           N
-ATOM   1090  CA  SER    72       8.912  13.747 -23.111  1.00  1.00           C
-ATOM   1091  C   SER    72       9.506  15.082 -22.657  1.00  1.00           C
-ATOM   1092  O   SER    72      10.648  15.135 -22.202  1.00  1.00           O
-ATOM   1095  H   SER    72       7.108  14.427 -22.320  1.00  1.00           H
-ATOM   1096  HA  SER    72       9.232  12.942 -22.450  1.00  1.00           H
-ATOM   1093  CB  SER    72       9.347  13.433 -24.544  1.00  1.00           C
-ATOM   1094  OG  SER    72       9.635  12.049 -24.723  1.00  1.00           O
-ATOM   1097  HB2 SER    72       8.559  13.731 -25.235  1.00  1.00           H
-ATOM   1098  HB3 SER    72      10.229  14.022 -24.792  1.00  1.00           H
-ATOM   1099  HG  SER    72      10.622  11.896 -24.674  1.00  1.00           H
-ATOM   1100  N   GLU    73       8.705  16.128 -22.796  1.00  1.00           N
-ATOM   1101  CA  GLU    73       9.137  17.459 -22.406  1.00  1.00           C
-ATOM   1102  C   GLU    73       8.636  17.788 -20.998  1.00  1.00           C
-ATOM   1103  O   GLU    73       8.965  18.839 -20.448  1.00  1.00           O
-ATOM   1109  H   GLU    73       7.777  16.077 -23.167  1.00  1.00           H
-ATOM   1110  HA  GLU    73      10.226  17.424 -22.413  1.00  1.00           H
-ATOM   1104  CB  GLU    73       8.663  18.507 -23.415  1.00  1.00           C
-ATOM   1105  CG  GLU    73       7.487  17.982 -24.240  1.00  1.00           C
-ATOM   1106  CD  GLU    73       6.938  19.068 -25.168  1.00  1.00           C
-ATOM   1107  OE1 GLU    73       7.774  19.808 -25.731  1.00  1.00           O
-ATOM   1108  OE2 GLU    73       5.697  19.134 -25.292  1.00  1.00           O
-ATOM   1111  HB2 GLU    73       8.367  19.415 -22.890  1.00  1.00           H
-ATOM   1112  HB3 GLU    73       9.485  18.777 -24.078  1.00  1.00           H
-ATOM   1113  HG2 GLU    73       7.806  17.123 -24.830  1.00  1.00           H
-ATOM   1114  HG3 GLU    73       6.697  17.634 -23.574  1.00  1.00           H
-ATOM   1115  N   SER    74       7.850  16.871 -20.454  1.00  1.00           N
-ATOM   1116  CA  SER    74       7.302  17.051 -19.121  1.00  1.00           C
-ATOM   1117  C   SER    74       7.530  15.789 -18.287  1.00  1.00           C
-ATOM   1118  O   SER    74       6.579  15.092 -17.936  1.00  1.00           O
-ATOM   1121  H   SER    74       7.588  16.019 -20.908  1.00  1.00           H
-ATOM   1122  HA  SER    74       7.846  17.894 -18.696  1.00  1.00           H
-ATOM   1119  CB  SER    74       5.810  17.385 -19.179  1.00  1.00           C
-ATOM   1120  OG  SER    74       5.508  18.600 -18.499  1.00  1.00           O
-ATOM   1123  HB2 SER    74       5.497  17.465 -20.221  1.00  1.00           H
-ATOM   1124  HB3 SER    74       5.238  16.570 -18.737  1.00  1.00           H
-ATOM   1125  HG  SER    74       6.026  18.653 -17.646  1.00  1.00           H
-ATOM   1126  N   ARG    75       8.797  15.533 -17.993  1.00  1.00           N
-ATOM   1127  CA  ARG    75       9.162  14.368 -17.206  1.00  1.00           C
-ATOM   1128  C   ARG    75       8.964  14.650 -15.716  1.00  1.00           C
-ATOM   1129  O   ARG    75       9.178  15.771 -15.258  1.00  1.00           O
-ATOM   1137  H   ARG    75       9.564  16.105 -18.282  1.00  1.00           H
-ATOM   1138  HA  ARG    75       8.492  13.579 -17.549  1.00  1.00           H
-ATOM   1130  CB  ARG    75      10.619  13.970 -17.454  1.00  1.00           C
-ATOM   1131  CG  ARG    75      11.188  14.703 -18.670  1.00  1.00           C
-ATOM   1132  CD  ARG    75      12.363  13.933 -19.275  1.00  1.00           C
-ATOM   1133  NE  ARG    75      13.096  14.794 -20.229  1.00  1.00           N
-ATOM   1134  CZ  ARG    75      14.216  14.426 -20.866  1.00  1.00           C
-ATOM   1135  NH1 ARG    75      14.738  13.210 -20.655  1.00  1.00           N
-ATOM   1136  NH2 ARG    75      14.814  15.273 -21.715  1.00  1.00           N
-ATOM   1139  HB2 ARG    75      11.218  14.203 -16.573  1.00  1.00           H
-ATOM   1140  HB3 ARG    75      10.685  12.894 -17.610  1.00  1.00           H
-ATOM   1141  HG2 ARG    75      10.407  14.831 -19.421  1.00  1.00           H
-ATOM   1142  HG3 ARG    75      11.515  15.702 -18.379  1.00  1.00           H
-ATOM   1143  HD2 ARG    75      13.035  13.599 -18.484  1.00  1.00           H
-ATOM   1144  HD3 ARG    75      12.000  13.040 -19.784  1.00  1.00           H
-ATOM   1145  HE  ARG    75      12.734  15.709 -20.409  1.00  1.00           H
-ATOM   1146 HH11 ARG    75      14.291  12.577 -20.023  1.00  1.00           H
-ATOM   1147 HH12 ARG    75      15.573  12.935 -21.131  1.00  1.00           H
-ATOM   1148 HH21 ARG    75      14.425  16.181 -21.872  1.00  1.00           H
-ATOM   1149 HH22 ARG    75      15.650  14.999 -22.190  1.00  1.00           H
-ATOM   1150  N   PHE    76       8.557  13.612 -14.998  1.00  1.00           N
-ATOM   1151  CA  PHE    76       8.328  13.734 -13.570  1.00  1.00           C
-ATOM   1152  C   PHE    76       8.907  12.535 -12.817  1.00  1.00           C
-ATOM   1153  O   PHE    76       9.703  11.777 -13.369  1.00  1.00           O
-ATOM   1161  H   PHE    76       8.385  12.703 -15.378  1.00  1.00           H
-ATOM   1162  HA  PHE    76       8.827  14.644 -13.238  1.00  1.00           H
-ATOM   1154  CB  PHE    76       6.812  13.769 -13.361  1.00  1.00           C
-ATOM   1155  CG  PHE    76       6.088  14.801 -14.228  1.00  1.00           C
-ATOM   1156  CD1 PHE    76       6.123  16.118 -13.889  1.00  1.00           C
-ATOM   1157  CD2 PHE    76       5.411  14.402 -15.337  1.00  1.00           C
-ATOM   1158  CE1 PHE    76       5.451  17.076 -14.692  1.00  1.00           C
-ATOM   1159  CE2 PHE    76       4.739  15.360 -16.141  1.00  1.00           C
-ATOM   1160  CZ  PHE    76       4.772  16.677 -15.802  1.00  1.00           C
-ATOM   1163  HB2 PHE    76       6.404  12.780 -13.574  1.00  1.00           H
-ATOM   1164  HB3 PHE    76       6.605  13.980 -12.312  1.00  1.00           H
-ATOM   1165  HD1 PHE    76       6.665  16.437 -12.999  1.00  1.00           H
-ATOM   1166  HD2 PHE    76       5.383  13.347 -15.609  1.00  1.00           H
-ATOM   1167  HE1 PHE    76       5.478  18.131 -14.420  1.00  1.00           H
-ATOM   1168  HE2 PHE    76       4.195  15.041 -17.031  1.00  1.00           H
-ATOM   1169  HZ  PHE    76       4.257  17.412 -16.419  1.00  1.00           H
-ATOM   1170  N   ASN    77       8.484  12.400 -11.568  1.00  1.00           N
-ATOM   1171  CA  ASN    77       8.951  11.306 -10.734  1.00  1.00           C
-ATOM   1172  C   ASN    77       7.760  10.686  -9.999  1.00  1.00           C
-ATOM   1173  O   ASN    77       7.654   9.465  -9.902  1.00  1.00           O
-ATOM   1178  H   ASN    77       7.837  13.021 -11.127  1.00  1.00           H
-ATOM   1179  HA  ASN    77       9.427  10.606 -11.420  1.00  1.00           H
-ATOM   1174  CB  ASN    77       9.949  11.800  -9.685  1.00  1.00           C
-ATOM   1175  CG  ASN    77      11.386  11.684 -10.197  1.00  1.00           C
-ATOM   1176  OD1 ASN    77      12.072  12.667 -10.426  1.00  1.00           O
-ATOM   1177  ND2 ASN    77      11.802  10.431 -10.364  1.00  1.00           N
-ATOM   1180  HB2 ASN    77       9.732  12.837  -9.431  1.00  1.00           H
-ATOM   1181  HB3 ASN    77       9.838  11.218  -8.769  1.00  1.00           H
-ATOM   1182 HD21 ASN    77      11.188   9.670 -10.157  1.00  1.00           H
-ATOM   1183 HD22 ASN    77      12.728  10.252 -10.696  1.00  1.00           H
-ATOM   1184  N   THR    78       6.896  11.557  -9.500  1.00  1.00           N
-ATOM   1185  CA  THR    78       5.717  11.111  -8.777  1.00  1.00           C
-ATOM   1186  C   THR    78       4.454  11.384  -9.596  1.00  1.00           C
-ATOM   1187  O   THR    78       4.356  12.409 -10.269  1.00  1.00           O
-ATOM   1191  H   THR    78       6.990  12.549  -9.584  1.00  1.00           H
-ATOM   1192  HA  THR    78       5.784  10.031  -8.643  1.00  1.00           H
-ATOM   1188  CB  THR    78       5.714  11.796  -7.409  1.00  1.00           C
-ATOM   1189  OG1 THR    78       5.089  10.848  -6.548  1.00  1.00           O
-ATOM   1190  CG2 THR    78       4.784  13.010  -7.363  1.00  1.00           C
-ATOM   1193  HB  THR    78       6.726  12.069  -7.109  1.00  1.00           H
-ATOM   1194  HG1 THR    78       5.441  10.949  -5.617  1.00  1.00           H
-ATOM   1195 HG21 THR    78       3.833  12.757  -7.831  1.00  1.00           H
-ATOM   1196 HG22 THR    78       4.615  13.300  -6.326  1.00  1.00           H
-ATOM   1197 HG23 THR    78       5.244  13.839  -7.902  1.00  1.00           H
-ATOM   1198  N   LEU    79       3.518  10.450  -9.511  1.00  1.00           N
-ATOM   1199  CA  LEU    79       2.266  10.577 -10.235  1.00  1.00           C
-ATOM   1200  C   LEU    79       1.726  11.999 -10.066  1.00  1.00           C
-ATOM   1201  O   LEU    79       1.387  12.660 -11.047  1.00  1.00           O
-ATOM   1206  H   LEU    79       3.606   9.619  -8.961  1.00  1.00           H
-ATOM   1207  HA  LEU    79       2.481  10.413 -11.292  1.00  1.00           H
-ATOM   1202  CB  LEU    79       1.281   9.490  -9.800  1.00  1.00           C
-ATOM   1203  CG  LEU    79       0.046   9.310 -10.684  1.00  1.00           C
-ATOM   1204  CD1 LEU    79      -0.733  10.620 -10.812  1.00  1.00           C
-ATOM   1205  CD2 LEU    79       0.427   8.734 -12.049  1.00  1.00           C
-ATOM   1208  HB2 LEU    79       1.815   8.540  -9.758  1.00  1.00           H
-ATOM   1209  HB3 LEU    79       0.949   9.713  -8.786  1.00  1.00           H
-ATOM   1210  HG  LEU    79      -0.616   8.588 -10.204  1.00  1.00           H
-ATOM   1211 HD11 LEU    79      -0.526  11.251  -9.948  1.00  1.00           H
-ATOM   1212 HD12 LEU    79      -0.426  11.138 -11.721  1.00  1.00           H
-ATOM   1213 HD13 LEU    79      -1.801  10.406 -10.858  1.00  1.00           H
-ATOM   1214 HD21 LEU    79       1.164   9.383 -12.524  1.00  1.00           H
-ATOM   1215 HD22 LEU    79       0.852   7.739 -11.918  1.00  1.00           H
-ATOM   1216 HD23 LEU    79      -0.460   8.671 -12.679  1.00  1.00           H
-ATOM   1217  N   ALA    80       1.661  12.428  -8.814  1.00  1.00           N
-ATOM   1218  CA  ALA    80       1.169  13.759  -8.504  1.00  1.00           C
-ATOM   1219  C   ALA    80       1.757  14.761  -9.498  1.00  1.00           C
-ATOM   1220  O   ALA    80       1.031  15.342 -10.302  1.00  1.00           O
-ATOM   1222  H   ALA    80       1.938  11.884  -8.022  1.00  1.00           H
-ATOM   1223  HA  ALA    80       0.084  13.745  -8.614  1.00  1.00           H
-ATOM   1221  CB  ALA    80       1.512  14.105  -7.054  1.00  1.00           C
-ATOM   1224  HB1 ALA    80       2.402  13.555  -6.750  1.00  1.00           H
-ATOM   1225  HB2 ALA    80       1.701  15.175  -6.971  1.00  1.00           H
-ATOM   1226  HB3 ALA    80       0.678  13.833  -6.408  1.00  1.00           H
-ATOM   1227  N   GLU    81       3.068  14.933  -9.411  1.00  1.00           N
-ATOM   1228  CA  GLU    81       3.764  15.855 -10.293  1.00  1.00           C
-ATOM   1229  C   GLU    81       3.254  15.702 -11.727  1.00  1.00           C
-ATOM   1230  O   GLU    81       3.303  16.650 -12.511  1.00  1.00           O
-ATOM   1236  H   GLU    81       3.652  14.456  -8.753  1.00  1.00           H
-ATOM   1237  HA  GLU    81       3.523  16.850  -9.918  1.00  1.00           H
-ATOM   1231  CB  GLU    81       5.277  15.645 -10.223  1.00  1.00           C
-ATOM   1232  CG  GLU    81       5.958  16.800  -9.486  1.00  1.00           C
-ATOM   1233  CD  GLU    81       6.219  16.439  -8.023  1.00  1.00           C
-ATOM   1234  OE1 GLU    81       6.822  15.367  -7.801  1.00  1.00           O
-ATOM   1235  OE2 GLU    81       5.809  17.245  -7.159  1.00  1.00           O
-ATOM   1238  HB2 GLU    81       5.494  14.705  -9.714  1.00  1.00           H
-ATOM   1239  HB3 GLU    81       5.683  15.561 -11.231  1.00  1.00           H
-ATOM   1240  HG2 GLU    81       6.900  17.044  -9.978  1.00  1.00           H
-ATOM   1241  HG3 GLU    81       5.330  17.689  -9.540  1.00  1.00           H
-ATOM   1242  N   LEU    82       2.776  14.504 -12.027  1.00  1.00           N
-ATOM   1243  CA  LEU    82       2.258  14.216 -13.354  1.00  1.00           C
-ATOM   1244  C   LEU    82       0.938  14.963 -13.554  1.00  1.00           C
-ATOM   1245  O   LEU    82       0.770  15.683 -14.537  1.00  1.00           O
-ATOM   1250  H   LEU    82       2.739  13.739 -11.384  1.00  1.00           H
-ATOM   1251  HA  LEU    82       2.981  14.594 -14.077  1.00  1.00           H
-ATOM   1246  CB  LEU    82       2.149  12.705 -13.571  1.00  1.00           C
-ATOM   1247  CG  LEU    82       2.446  12.207 -14.986  1.00  1.00           C
-ATOM   1248  CD1 LEU    82       3.747  11.402 -15.022  1.00  1.00           C
-ATOM   1249  CD2 LEU    82       1.265  11.414 -15.547  1.00  1.00           C
-ATOM   1252  HB2 LEU    82       2.833  12.209 -12.881  1.00  1.00           H
-ATOM   1253  HB3 LEU    82       1.141  12.391 -13.300  1.00  1.00           H
-ATOM   1254  HG  LEU    82       2.588  13.074 -15.631  1.00  1.00           H
-ATOM   1255 HD11 LEU    82       4.333  11.619 -14.129  1.00  1.00           H
-ATOM   1256 HD12 LEU    82       3.515  10.337 -15.054  1.00  1.00           H
-ATOM   1257 HD13 LEU    82       4.319  11.675 -15.908  1.00  1.00           H
-ATOM   1258 HD21 LEU    82       0.335  11.922 -15.297  1.00  1.00           H
-ATOM   1259 HD22 LEU    82       1.360  11.339 -16.631  1.00  1.00           H
-ATOM   1260 HD23 LEU    82       1.261  10.413 -15.114  1.00  1.00           H
-ATOM   1261  N   VAL    83       0.032  14.764 -12.607  1.00  1.00           N
-ATOM   1262  CA  VAL    83      -1.268  15.409 -12.668  1.00  1.00           C
-ATOM   1263  C   VAL    83      -1.090  16.920 -12.509  1.00  1.00           C
-ATOM   1264  O   VAL    83      -1.732  17.701 -13.210  1.00  1.00           O
-ATOM   1268  H   VAL    83       0.177  14.176 -11.811  1.00  1.00           H
-ATOM   1269  HA  VAL    83      -1.690  15.207 -13.651  1.00  1.00           H
-ATOM   1265  CB  VAL    83      -2.202  14.804 -11.617  1.00  1.00           C
-ATOM   1266  CG1 VAL    83      -3.561  15.505 -11.623  1.00  1.00           C
-ATOM   1267  CG2 VAL    83      -2.362  13.296 -11.829  1.00  1.00           C
-ATOM   1270  HB  VAL    83      -1.749  14.958 -10.637  1.00  1.00           H
-ATOM   1271 HG11 VAL    83      -3.847  15.735 -12.650  1.00  1.00           H
-ATOM   1272 HG12 VAL    83      -4.309  14.851 -11.176  1.00  1.00           H
-ATOM   1273 HG13 VAL    83      -3.496  16.429 -11.049  1.00  1.00           H
-ATOM   1274 HG21 VAL    83      -2.128  13.049 -12.865  1.00  1.00           H
-ATOM   1275 HG22 VAL    83      -1.680  12.762 -11.167  1.00  1.00           H
-ATOM   1276 HG23 VAL    83      -3.388  13.005 -11.608  1.00  1.00           H
-ATOM   1277  N   HIS    84      -0.216  17.287 -11.583  1.00  1.00           N
-ATOM   1278  CA  HIS    84       0.054  18.691 -11.323  1.00  1.00           C
-ATOM   1279  C   HIS    84       0.209  19.438 -12.649  1.00  1.00           C
-ATOM   1280  O   HIS    84      -0.499  20.411 -12.905  1.00  1.00           O
-ATOM   1287  H   HIS    84       0.302  16.646 -11.017  1.00  1.00           H
-ATOM   1288  HA  HIS    84      -0.815  19.084 -10.795  1.00  1.00           H
-ATOM   1281  CB  HIS    84       1.269  18.851 -10.407  1.00  1.00           C
-ATOM   1282  CG  HIS    84       0.972  19.567  -9.111  1.00  1.00           C
-ATOM   1283  ND1 HIS    84       1.935  19.798  -8.145  1.00  1.00           N
-ATOM   1284  CD2 HIS    84      -0.189  20.102  -8.634  1.00  1.00           C
-ATOM   1285  CE1 HIS    84       1.368  20.442  -7.136  1.00  1.00           C
-ATOM   1286  NE2 HIS    84       0.052  20.628  -7.440  1.00  1.00           N
-ATOM   1289  HB2 HIS    84       1.672  17.864 -10.181  1.00  1.00           H
-ATOM   1290  HB3 HIS    84       2.046  19.397 -10.943  1.00  1.00           H
-ATOM   1291  HD1 HIS    84       2.895  19.525  -8.199  1.00  1.00           H
-ATOM   1292  HD2 HIS    84      -1.150  20.096  -9.148  1.00  1.00           H
-ATOM   1293  HE1 HIS    84       1.866  20.766  -6.222  1.00  1.00           H
-ATOM   1294  N   HIS    85       1.141  18.954 -13.459  1.00  1.00           N
-ATOM   1295  CA  HIS    85       1.398  19.563 -14.752  1.00  1.00           C
-ATOM   1296  C   HIS    85       0.232  19.271 -15.699  1.00  1.00           C
-ATOM   1297  O   HIS    85      -0.223  20.156 -16.421  1.00  1.00           O
-ATOM   1304  H   HIS    85       1.712  18.163 -13.244  1.00  1.00           H
-ATOM   1305  HA  HIS    85       1.458  20.639 -14.585  1.00  1.00           H
-ATOM   1298  CB  HIS    85       2.746  19.103 -15.312  1.00  1.00           C
-ATOM   1299  CG  HIS    85       2.969  19.471 -16.759  1.00  1.00           C
-ATOM   1300  ND1 HIS    85       3.143  20.777 -17.182  1.00  1.00           N
-ATOM   1301  CD2 HIS    85       3.044  18.691 -17.875  1.00  1.00           C
-ATOM   1302  CE1 HIS    85       3.315  20.772 -18.495  1.00  1.00           C
-ATOM   1303  NE2 HIS    85       3.252  19.478 -18.923  1.00  1.00           N
-ATOM   1306  HB2 HIS    85       3.544  19.538 -14.709  1.00  1.00           H
-ATOM   1307  HB3 HIS    85       2.821  18.021 -15.206  1.00  1.00           H
-ATOM   1308  HD1 HIS    85       3.141  21.587 -16.595  1.00  1.00           H
-ATOM   1309  HD2 HIS    85       2.949  17.606 -17.902  1.00  1.00           H
-ATOM   1310  HE1 HIS    85       3.477  21.648 -19.125  1.00  1.00           H
-ATOM   1311  N   HIS    86      -0.217  18.025 -15.664  1.00  1.00           N
-ATOM   1312  CA  HIS    86      -1.320  17.603 -16.510  1.00  1.00           C
-ATOM   1313  C   HIS    86      -2.632  18.166 -15.960  1.00  1.00           C
-ATOM   1314  O   HIS    86      -3.713  17.759 -16.384  1.00  1.00           O
-ATOM   1321  H   HIS    86       0.160  17.311 -15.073  1.00  1.00           H
-ATOM   1322  HA  HIS    86      -1.138  18.027 -17.497  1.00  1.00           H
-ATOM   1315  CB  HIS    86      -1.344  16.080 -16.654  1.00  1.00           C
-ATOM   1316  CG  HIS    86      -0.139  15.511 -17.364  1.00  1.00           C
-ATOM   1317  ND1 HIS    86       0.547  16.202 -18.348  1.00  1.00           N
-ATOM   1318  CD2 HIS    86       0.497  14.313 -17.222  1.00  1.00           C
-ATOM   1319  CE1 HIS    86       1.547  15.445 -18.772  1.00  1.00           C
-ATOM   1320  NE2 HIS    86       1.514  14.273 -18.073  1.00  1.00           N
-ATOM   1323  HB2 HIS    86      -1.414  15.632 -15.663  1.00  1.00           H
-ATOM   1324  HB3 HIS    86      -2.243  15.791 -17.198  1.00  1.00           H
-ATOM   1325  HD1 HIS    86       0.325  17.119 -18.681  1.00  1.00           H
-ATOM   1326  HD2 HIS    86       0.216  13.522 -16.526  1.00  1.00           H
-ATOM   1327  HE1 HIS    86       2.270  15.710 -19.544  1.00  1.00           H
-ATOM   1328  N   SER    87      -2.495  19.095 -15.025  1.00  1.00           N
-ATOM   1329  CA  SER    87      -3.655  19.719 -14.413  1.00  1.00           C
-ATOM   1330  C   SER    87      -4.047  20.976 -15.194  1.00  1.00           C
-ATOM   1331  O   SER    87      -5.231  21.273 -15.345  1.00  1.00           O
-ATOM   1334  H   SER    87      -1.612  19.420 -14.687  1.00  1.00           H
-ATOM   1335  HA  SER    87      -4.447  18.972 -14.468  1.00  1.00           H
-ATOM   1332  CB  SER    87      -3.385  20.067 -12.948  1.00  1.00           C
-ATOM   1333  OG  SER    87      -4.565  20.502 -12.276  1.00  1.00           O
-ATOM   1336  HB2 SER    87      -2.978  19.194 -12.438  1.00  1.00           H
-ATOM   1337  HB3 SER    87      -2.629  20.850 -12.895  1.00  1.00           H
-ATOM   1338  HG  SER    87      -5.330  20.542 -12.919  1.00  1.00           H
-ATOM   1339  N   THR    88      -3.030  21.679 -15.670  1.00  1.00           N
-ATOM   1340  CA  THR    88      -3.253  22.896 -16.431  1.00  1.00           C
-ATOM   1341  C   THR    88      -2.665  22.761 -17.836  1.00  1.00           C
-ATOM   1342  O   THR    88      -3.101  23.442 -18.764  1.00  1.00           O
-ATOM   1346  H   THR    88      -2.070  21.429 -15.542  1.00  1.00           H
-ATOM   1347  HA  THR    88      -4.328  23.038 -16.545  1.00  1.00           H
-ATOM   1343  CB  THR    88      -2.665  24.065 -15.636  1.00  1.00           C
-ATOM   1344  OG1 THR    88      -3.755  24.528 -14.845  1.00  1.00           O
-ATOM   1345  CG2 THR    88      -2.315  25.260 -16.525  1.00  1.00           C
-ATOM   1348  HB  THR    88      -1.800  23.745 -15.056  1.00  1.00           H
-ATOM   1349  HG1 THR    88      -3.810  24.002 -13.996  1.00  1.00           H
-ATOM   1350 HG21 THR    88      -2.970  25.269 -17.397  1.00  1.00           H
-ATOM   1351 HG22 THR    88      -2.448  26.183 -15.962  1.00  1.00           H
-ATOM   1352 HG23 THR    88      -1.279  25.178 -16.852  1.00  1.00           H
-ATOM   1353  N   VAL    89      -1.685  21.877 -17.951  1.00  1.00           N
-ATOM   1354  CA  VAL    89      -1.034  21.644 -19.229  1.00  1.00           C
-ATOM   1355  C   VAL    89      -0.848  20.139 -19.435  1.00  1.00           C
-ATOM   1356  O   VAL    89       0.212  19.594 -19.133  1.00  1.00           O
-ATOM   1360  H   VAL    89      -1.337  21.327 -17.193  1.00  1.00           H
-ATOM   1361  HA  VAL    89      -1.692  22.026 -20.009  1.00  1.00           H
-ATOM   1357  CB  VAL    89       0.282  22.422 -19.295  1.00  1.00           C
-ATOM   1358  CG1 VAL    89       1.166  21.910 -20.434  1.00  1.00           C
-ATOM   1359  CG2 VAL    89       0.023  23.924 -19.436  1.00  1.00           C
-ATOM   1362  HB  VAL    89       0.815  22.261 -18.358  1.00  1.00           H
-ATOM   1363 HG11 VAL    89       0.556  21.746 -21.322  1.00  1.00           H
-ATOM   1364 HG12 VAL    89       1.938  22.646 -20.653  1.00  1.00           H
-ATOM   1365 HG13 VAL    89       1.633  20.971 -20.137  1.00  1.00           H
-ATOM   1366 HG21 VAL    89      -0.937  24.172 -18.984  1.00  1.00           H
-ATOM   1367 HG22 VAL    89       0.816  24.478 -18.932  1.00  1.00           H
-ATOM   1368 HG23 VAL    89       0.008  24.193 -20.492  1.00  1.00           H
-ATOM   1369  N   ALA    90      -1.896  19.510 -19.948  1.00  1.00           N
-ATOM   1370  CA  ALA    90      -1.862  18.079 -20.198  1.00  1.00           C
-ATOM   1371  C   ALA    90      -1.008  17.803 -21.436  1.00  1.00           C
-ATOM   1372  O   ALA    90      -1.512  17.319 -22.448  1.00  1.00           O
-ATOM   1374  H   ALA    90      -2.755  19.962 -20.190  1.00  1.00           H
-ATOM   1375  HA  ALA    90      -1.400  17.602 -19.333  1.00  1.00           H
-ATOM   1373  CB  ALA    90      -3.291  17.552 -20.345  1.00  1.00           C
-ATOM   1376  HB1 ALA    90      -3.997  18.365 -20.176  1.00  1.00           H
-ATOM   1377  HB2 ALA    90      -3.430  17.155 -21.352  1.00  1.00           H
-ATOM   1378  HB3 ALA    90      -3.464  16.762 -19.615  1.00  1.00           H
-ATOM   1379  N   ASP    91       0.273  18.120 -21.315  1.00  1.00           N
-ATOM   1380  CA  ASP    91       1.203  17.911 -22.411  1.00  1.00           C
-ATOM   1381  C   ASP    91       1.407  16.410 -22.622  1.00  1.00           C
-ATOM   1382  O   ASP    91       1.982  15.993 -23.627  1.00  1.00           O
-ATOM   1387  H   ASP    91       0.676  18.513 -20.488  1.00  1.00           H
-ATOM   1388  HA  ASP    91       0.743  18.394 -23.273  1.00  1.00           H
-ATOM   1383  CB  ASP    91       2.566  18.536 -22.105  1.00  1.00           C
-ATOM   1384  CG  ASP    91       3.772  17.699 -22.536  1.00  1.00           C
-ATOM   1385  OD1 ASP    91       4.066  16.717 -21.821  1.00  1.00           O
-ATOM   1386  OD2 ASP    91       4.373  18.062 -23.570  1.00  1.00           O
-ATOM   1389  HB2 ASP    91       2.622  19.507 -22.596  1.00  1.00           H
-ATOM   1390  HB3 ASP    91       2.633  18.717 -21.032  1.00  1.00           H
-ATOM   1391  N   GLY    92       0.926  15.639 -21.659  1.00  1.00           N
-ATOM   1392  CA  GLY    92       1.048  14.192 -21.727  1.00  1.00           C
-ATOM   1393  C   GLY    92      -0.317  13.535 -21.933  1.00  1.00           C
-ATOM   1394  O   GLY    92      -0.622  13.057 -23.025  1.00  1.00           O
-ATOM   1395  H   GLY    92       0.460  15.985 -20.846  1.00  1.00           H
-ATOM   1396  HA2 GLY    92       1.715  13.918 -22.544  1.00  1.00           H
-ATOM   1397  HA3 GLY    92       1.500  13.819 -20.808  1.00  1.00           H
-ATOM   1398  N   LEU    93      -1.105  13.533 -20.867  1.00  1.00           N
-ATOM   1399  CA  LEU    93      -2.432  12.943 -20.918  1.00  1.00           C
-ATOM   1400  C   LEU    93      -3.338  13.809 -21.797  1.00  1.00           C
-ATOM   1401  O   LEU    93      -3.383  15.028 -21.635  1.00  1.00           O
-ATOM   1406  H   LEU    93      -0.850  13.925 -19.983  1.00  1.00           H
-ATOM   1407  HA  LEU    93      -2.336  11.962 -21.383  1.00  1.00           H
-ATOM   1402  CB  LEU    93      -2.974  12.722 -19.504  1.00  1.00           C
-ATOM   1403  CG  LEU    93      -1.997  13.000 -18.360  1.00  1.00           C
-ATOM   1404  CD1 LEU    93      -2.700  12.907 -17.004  1.00  1.00           C
-ATOM   1405  CD2 LEU    93      -0.782  12.073 -18.441  1.00  1.00           C
-ATOM   1408  HB2 LEU    93      -3.851  13.357 -19.370  1.00  1.00           H
-ATOM   1409  HB3 LEU    93      -3.314  11.689 -19.424  1.00  1.00           H
-ATOM   1410  HG  LEU    93      -1.631  14.021 -18.464  1.00  1.00           H
-ATOM   1411 HD11 LEU    93      -3.372  12.048 -17.001  1.00  1.00           H
-ATOM   1412 HD12 LEU    93      -1.956  12.789 -16.217  1.00  1.00           H
-ATOM   1413 HD13 LEU    93      -3.274  13.818 -16.829  1.00  1.00           H
-ATOM   1414 HD21 LEU    93      -1.070  11.136 -18.914  1.00  1.00           H
-ATOM   1415 HD22 LEU    93       0.001  12.552 -19.028  1.00  1.00           H
-ATOM   1416 HD23 LEU    93      -0.411  11.873 -17.435  1.00  1.00           H
-ATOM   1417  N   ILE    94      -4.036  13.145 -22.705  1.00  1.00           N
-ATOM   1418  CA  ILE    94      -4.938  13.839 -23.609  1.00  1.00           C
-ATOM   1419  C   ILE    94      -5.756  14.864 -22.820  1.00  1.00           C
-ATOM   1420  O   ILE    94      -5.394  16.038 -22.758  1.00  1.00           O
-ATOM   1425  H   ILE    94      -3.993  12.154 -22.830  1.00  1.00           H
-ATOM   1426  HA  ILE    94      -4.326  14.373 -24.336  1.00  1.00           H
-ATOM   1421  CB  ILE    94      -5.793  12.837 -24.387  1.00  1.00           C
-ATOM   1422  CG1 ILE    94      -7.047  13.507 -24.951  1.00  1.00           C
-ATOM   1423  CG2 ILE    94      -6.132  11.620 -23.524  1.00  1.00           C
-ATOM   1424  CD1 ILE    94      -7.616  12.707 -26.125  1.00  1.00           C
-ATOM   1427  HB  ILE    94      -5.211  12.478 -25.235  1.00  1.00           H
-ATOM   1428 HG12 ILE    94      -7.800  13.595 -24.167  1.00  1.00           H
-ATOM   1429 HG13 ILE    94      -6.808  14.519 -25.277  1.00  1.00           H
-ATOM   1430 HG21 ILE    94      -6.012  11.875 -22.471  1.00  1.00           H
-ATOM   1431 HG22 ILE    94      -7.163  11.319 -23.709  1.00  1.00           H
-ATOM   1432 HG23 ILE    94      -5.463  10.798 -23.777  1.00  1.00           H
-ATOM   1433 HD11 ILE    94      -7.610  11.646 -25.878  1.00  1.00           H
-ATOM   1434 HD12 ILE    94      -8.639  13.029 -26.322  1.00  1.00           H
-ATOM   1435 HD13 ILE    94      -7.004  12.879 -27.010  1.00  1.00           H
-ATOM   1436  N   THR    95      -6.843  14.381 -22.236  1.00  1.00           N
-ATOM   1437  CA  THR    95      -7.716  15.240 -21.453  1.00  1.00           C
-ATOM   1438  C   THR    95      -6.948  15.854 -20.281  1.00  1.00           C
-ATOM   1439  O   THR    95      -5.951  15.294 -19.826  1.00  1.00           O
-ATOM   1443  H   THR    95      -7.130  13.424 -22.291  1.00  1.00           H
-ATOM   1444  HA  THR    95      -8.046  16.063 -22.086  1.00  1.00           H
-ATOM   1440  CB  THR    95      -8.928  14.413 -21.019  1.00  1.00           C
-ATOM   1441  OG1 THR    95      -9.557  15.214 -20.023  1.00  1.00           O
-ATOM   1442  CG2 THR    95      -8.530  13.138 -20.273  1.00  1.00           C
-ATOM   1445  HB  THR    95      -9.567  14.182 -21.871  1.00  1.00           H
-ATOM   1446  HG1 THR    95     -10.259  15.791 -20.441  1.00  1.00           H
-ATOM   1447 HG21 THR    95      -7.762  12.611 -20.840  1.00  1.00           H
-ATOM   1448 HG22 THR    95      -8.141  13.398 -19.289  1.00  1.00           H
-ATOM   1449 HG23 THR    95      -9.403  12.495 -20.161  1.00  1.00           H
-ATOM   1450  N   THR    96      -7.442  16.996 -19.825  1.00  1.00           N
-ATOM   1451  CA  THR    96      -6.814  17.692 -18.714  1.00  1.00           C
-ATOM   1452  C   THR    96      -7.530  17.360 -17.404  1.00  1.00           C
-ATOM   1453  O   THR    96      -8.698  17.699 -17.227  1.00  1.00           O
-ATOM   1457  H   THR    96      -8.253  17.444 -20.201  1.00  1.00           H
-ATOM   1458  HA  THR    96      -5.789  17.333 -18.618  1.00  1.00           H
-ATOM   1454  CB  THR    96      -6.803  19.186 -19.038  1.00  1.00           C
-ATOM   1455  OG1 THR    96      -8.134  19.611 -18.760  1.00  1.00           O
-ATOM   1456  CG2 THR    96      -6.629  19.460 -20.534  1.00  1.00           C
-ATOM   1459  HB  THR    96      -6.042  19.706 -18.457  1.00  1.00           H
-ATOM   1460  HG1 THR    96      -8.774  18.862 -18.927  1.00  1.00           H
-ATOM   1461 HG21 THR    96      -6.242  18.567 -21.024  1.00  1.00           H
-ATOM   1462 HG22 THR    96      -7.592  19.725 -20.969  1.00  1.00           H
-ATOM   1463 HG23 THR    96      -5.928  20.284 -20.674  1.00  1.00           H
-ATOM   1464  N   LEU    97      -6.799  16.699 -16.519  1.00  1.00           N
-ATOM   1465  CA  LEU    97      -7.349  16.316 -15.230  1.00  1.00           C
-ATOM   1466  C   LEU    97      -8.276  17.425 -14.726  1.00  1.00           C
-ATOM   1467  O   LEU    97      -7.844  18.561 -14.535  1.00  1.00           O
-ATOM   1472  H   LEU    97      -5.849  16.425 -16.669  1.00  1.00           H
-ATOM   1473  HA  LEU    97      -7.941  15.414 -15.381  1.00  1.00           H
-ATOM   1468  CB  LEU    97      -6.228  15.962 -14.251  1.00  1.00           C
-ATOM   1469  CG  LEU    97      -5.277  14.849 -14.696  1.00  1.00           C
-ATOM   1470  CD1 LEU    97      -3.923  15.421 -15.121  1.00  1.00           C
-ATOM   1471  CD2 LEU    97      -5.132  13.783 -13.608  1.00  1.00           C
-ATOM   1474  HB2 LEU    97      -5.640  16.860 -14.062  1.00  1.00           H
-ATOM   1475  HB3 LEU    97      -6.678  15.670 -13.302  1.00  1.00           H
-ATOM   1476  HG  LEU    97      -5.708  14.360 -15.570  1.00  1.00           H
-ATOM   1477 HD11 LEU    97      -3.743  16.358 -14.593  1.00  1.00           H
-ATOM   1478 HD12 LEU    97      -3.135  14.710 -14.876  1.00  1.00           H
-ATOM   1479 HD13 LEU    97      -3.927  15.605 -16.195  1.00  1.00           H
-ATOM   1480 HD21 LEU    97      -5.575  14.148 -12.681  1.00  1.00           H
-ATOM   1481 HD22 LEU    97      -5.644  12.872 -13.921  1.00  1.00           H
-ATOM   1482 HD23 LEU    97      -4.076  13.569 -13.446  1.00  1.00           H
-ATOM   1483  N   HIS    98      -9.533  17.057 -14.526  1.00  1.00           N
-ATOM   1484  CA  HIS    98     -10.524  18.006 -14.049  1.00  1.00           C
-ATOM   1485  C   HIS    98     -10.772  17.784 -12.555  1.00  1.00           C
-ATOM   1486  O   HIS    98     -10.242  18.514 -11.720  1.00  1.00           O
-ATOM   1493  H   HIS    98      -9.876  16.131 -14.684  1.00  1.00           H
-ATOM   1494  HA  HIS    98     -10.101  19.001 -14.194  1.00  1.00           H
-ATOM   1487  CB  HIS    98     -11.805  17.919 -14.882  1.00  1.00           C
-ATOM   1488  CG  HIS    98     -12.972  18.678 -14.295  1.00  1.00           C
-ATOM   1489  ND1 HIS    98     -12.840  19.934 -13.729  1.00  1.00           N
-ATOM   1490  CD2 HIS    98     -14.290  18.345 -14.194  1.00  1.00           C
-ATOM   1491  CE1 HIS    98     -14.033  20.329 -13.309  1.00  1.00           C
-ATOM   1492  NE2 HIS    98     -14.930  19.343 -13.597  1.00  1.00           N
-ATOM   1495  HB2 HIS    98     -11.602  18.302 -15.882  1.00  1.00           H
-ATOM   1496  HB3 HIS    98     -12.084  16.871 -14.991  1.00  1.00           H
-ATOM   1497  HD1 HIS    98     -11.990  20.454 -13.650  1.00  1.00           H
-ATOM   1498  HD2 HIS    98     -14.742  17.418 -14.544  1.00  1.00           H
-ATOM   1499  HE1 HIS    98     -14.258  21.276 -12.818  1.00  1.00           H
-ATOM   1500  N   TYR    99     -11.576  16.771 -12.267  1.00  1.00           N
-ATOM   1501  CA  TYR    99     -11.899  16.442 -10.889  1.00  1.00           C
-ATOM   1502  C   TYR    99     -12.184  14.948 -10.734  1.00  1.00           C
-ATOM   1503  O   TYR    99     -13.223  14.462 -11.176  1.00  1.00           O
-ATOM   1512  H   TYR    99     -12.001  16.182 -12.953  1.00  1.00           H
-ATOM   1513  HA  TYR    99     -11.043  16.707 -10.270  1.00  1.00           H
-ATOM   1504  CB  TYR    99     -13.169  17.229 -10.555  1.00  1.00           C
-ATOM   1505  CG  TYR    99     -14.465  16.464 -10.827  1.00  1.00           C
-ATOM   1506  CD1 TYR    99     -14.806  16.124 -12.121  1.00  1.00           C
-ATOM   1507  CD2 TYR    99     -15.292  16.113  -9.780  1.00  1.00           C
-ATOM   1508  CE1 TYR    99     -16.026  15.403 -12.377  1.00  1.00           C
-ATOM   1509  CE2 TYR    99     -16.512  15.392 -10.037  1.00  1.00           C
-ATOM   1510  CZ  TYR    99     -16.819  15.073 -11.323  1.00  1.00           C
-ATOM   1511  OH  TYR    99     -17.971  14.392 -11.565  1.00  1.00           O
-ATOM   1514  HB2 TYR    99     -13.141  17.514  -9.503  1.00  1.00           H
-ATOM   1515  HB3 TYR    99     -13.175  18.152 -11.134  1.00  1.00           H
-ATOM   1516  HD1 TYR    99     -14.153  16.400 -12.948  1.00  1.00           H
-ATOM   1517  HD2 TYR    99     -15.022  16.381  -8.758  1.00  1.00           H
-ATOM   1518  HE1 TYR    99     -16.308  15.128 -13.394  1.00  1.00           H
-ATOM   1519  HE2 TYR    99     -17.175  15.109  -9.219  1.00  1.00           H
-ATOM   1520  HH  TYR    99     -17.831  13.415 -11.408  1.00  1.00           H
-ATOM   1521  N   PRO   100     -11.218  14.242 -10.086  1.00  1.00           N
-ATOM   1522  CA  PRO   100     -11.355  12.812  -9.868  1.00  1.00           C
-ATOM   1523  C   PRO   100     -12.362  12.522  -8.752  1.00  1.00           C
-ATOM   1524  O   PRO   100     -11.991  12.433  -7.584  1.00  1.00           O
-ATOM   1528  HA  PRO   100     -11.719  12.370 -10.687  1.00  1.00           H
-ATOM   1525  CB  PRO   100      -9.952  12.328  -9.542  1.00  1.00           C
-ATOM   1526  CG  PRO   100      -9.169  13.565  -9.133  1.00  1.00           C
-ATOM   1527  CD  PRO   100      -9.975  14.785  -9.549  1.00  1.00           C
-ATOM   1529  HB2 PRO   100      -9.970  11.594  -8.736  1.00  1.00           H
-ATOM   1530  HB3 PRO   100      -9.495  11.844 -10.405  1.00  1.00           H
-ATOM   1531  HG2 PRO   100      -8.996  13.570  -8.057  1.00  1.00           H
-ATOM   1532  HG3 PRO   100      -8.190  13.572  -9.614  1.00  1.00           H
-ATOM   1533  HD2 PRO   100     -10.164  15.442  -8.700  1.00  1.00           H
-ATOM   1534  HD3 PRO   100      -9.444  15.375 -10.296  1.00  1.00           H
-ATOM   1535  N   ALA   101     -13.617  12.383  -9.154  1.00  1.00           N
-ATOM   1536  CA  ALA   101     -14.681  12.105  -8.204  1.00  1.00           C
-ATOM   1537  C   ALA   101     -14.245  10.969  -7.275  1.00  1.00           C
-ATOM   1538  O   ALA   101     -13.512  10.071  -7.688  1.00  1.00           O
-ATOM   1540  H   ALA   101     -13.911  12.456 -10.107  1.00  1.00           H
-ATOM   1541  HA  ALA   101     -14.841  13.005  -7.612  1.00  1.00           H
-ATOM   1539  CB  ALA   101     -15.969  11.776  -8.960  1.00  1.00           C
-ATOM   1542  HB1 ALA   101     -15.721  11.326  -9.921  1.00  1.00           H
-ATOM   1543  HB2 ALA   101     -16.566  11.077  -8.375  1.00  1.00           H
-ATOM   1544  HB3 ALA   101     -16.538  12.692  -9.124  1.00  1.00           H
-ATOM   1545  N   PRO   102     -14.725  11.050  -6.005  1.00  1.00           N
-ATOM   1546  CA  PRO   102     -14.392  10.039  -5.015  1.00  1.00           C
-ATOM   1547  C   PRO   102     -15.172   8.748  -5.266  1.00  1.00           C
-ATOM   1548  O   PRO   102     -16.333   8.787  -5.669  1.00  1.00           O
-ATOM   1552  HA  PRO   102     -13.425   9.792  -5.082  1.00  1.00           H
-ATOM   1549  CB  PRO   102     -14.719  10.680  -3.675  1.00  1.00           C
-ATOM   1550  CG  PRO   102     -15.652  11.840  -3.984  1.00  1.00           C
-ATOM   1551  CD  PRO   102     -15.594  12.099  -5.481  1.00  1.00           C
-ATOM   1553  HB2 PRO   102     -15.195   9.963  -3.006  1.00  1.00           H
-ATOM   1554  HB3 PRO   102     -13.813  11.029  -3.178  1.00  1.00           H
-ATOM   1555  HG2 PRO   102     -16.670  11.602  -3.677  1.00  1.00           H
-ATOM   1556  HG3 PRO   102     -15.351  12.730  -3.431  1.00  1.00           H
-ATOM   1557  HD2 PRO   102     -16.586  12.052  -5.929  1.00  1.00           H
-ATOM   1558  HD3 PRO   102     -15.193  13.089  -5.696  1.00  1.00           H
-ATOM   1559  N   LYS   103     -14.503   7.632  -5.016  1.00  1.00           N
-ATOM   1560  CA  LYS   103     -15.118   6.330  -5.209  1.00  1.00           C
-ATOM   1561  C   LYS   103     -14.993   5.514  -3.921  1.00  1.00           C
-ATOM   1562  O   LYS   103     -14.530   4.375  -3.946  1.00  1.00           O
-ATOM   1568  H   LYS   103     -13.558   7.608  -4.688  1.00  1.00           H
-ATOM   1569  HA  LYS   103     -16.177   6.496  -5.411  1.00  1.00           H
-ATOM   1563  CB  LYS   103     -14.527   5.635  -6.437  1.00  1.00           C
-ATOM   1564  CG  LYS   103     -13.029   5.921  -6.560  1.00  1.00           C
-ATOM   1565  CD  LYS   103     -12.225   5.064  -5.581  1.00  1.00           C
-ATOM   1566  CE  LYS   103     -11.823   5.875  -4.347  1.00  1.00           C
-ATOM   1567  NZ  LYS   103     -10.889   5.099  -3.499  1.00  1.00           N
-ATOM   1570  HB2 LYS   103     -14.691   4.560  -6.366  1.00  1.00           H
-ATOM   1571  HB3 LYS   103     -15.042   5.976  -7.335  1.00  1.00           H
-ATOM   1572  HG2 LYS   103     -12.700   5.720  -7.580  1.00  1.00           H
-ATOM   1573  HG3 LYS   103     -12.840   6.976  -6.367  1.00  1.00           H
-ATOM   1574  HD2 LYS   103     -12.816   4.201  -5.277  1.00  1.00           H
-ATOM   1575  HD3 LYS   103     -11.332   4.681  -6.075  1.00  1.00           H
-ATOM   1576  HE2 LYS   103     -11.353   6.809  -4.656  1.00  1.00           H
-ATOM   1577  HE3 LYS   103     -12.711   6.139  -3.772  1.00  1.00           H
-ATOM   1578  HZ1 LYS   103     -11.163   4.138  -3.495  1.00  1.00           H
-ATOM   1579  HZ2 LYS   103      -9.962   5.181  -3.865  1.00  1.00           H
-ATOM   1580  HZ3 LYS   103     -10.912   5.457  -2.566  1.00  1.00           H
-ATOM   1581  N   ARG   104     -15.413   6.130  -2.825  1.00  1.00           N
-ATOM   1582  CA  ARG   104     -15.354   5.475  -1.529  1.00  1.00           C
-ATOM   1583  C   ARG   104     -16.554   4.543  -1.350  1.00  1.00           C
-ATOM   1584  O   ARG   104     -16.390   3.371  -1.018  1.00  1.00           O
-ATOM   1592  H   ARG   104     -15.789   7.056  -2.813  1.00  1.00           H
-ATOM   1593  HA  ARG   104     -14.420   4.914  -1.544  1.00  1.00           H
-ATOM   1585  CB  ARG   104     -15.338   6.501  -0.395  1.00  1.00           C
-ATOM   1586  CG  ARG   104     -15.988   7.816  -0.834  1.00  1.00           C
-ATOM   1587  CD  ARG   104     -16.367   8.671   0.376  1.00  1.00           C
-ATOM   1588  NE  ARG   104     -17.700   9.280   0.167  1.00  1.00           N
-ATOM   1589  CZ  ARG   104     -17.905  10.433  -0.484  1.00  1.00           C
-ATOM   1590  NH1 ARG   104     -16.867  11.108  -0.995  1.00  1.00           N
-ATOM   1591  NH2 ARG   104     -19.150  10.909  -0.626  1.00  1.00           N
-ATOM   1594  HB2 ARG   104     -15.870   6.101   0.470  1.00  1.00           H
-ATOM   1595  HB3 ARG   104     -14.312   6.685  -0.080  1.00  1.00           H
-ATOM   1596  HG2 ARG   104     -15.299   8.368  -1.473  1.00  1.00           H
-ATOM   1597  HG3 ARG   104     -16.876   7.605  -1.429  1.00  1.00           H
-ATOM   1598  HD2 ARG   104     -16.375   8.058   1.277  1.00  1.00           H
-ATOM   1599  HD3 ARG   104     -15.621   9.452   0.529  1.00  1.00           H
-ATOM   1600  HE  ARG   104     -18.497   8.801   0.535  1.00  1.00           H
-ATOM   1601 HH11 ARG   104     -15.938  10.752  -0.888  1.00  1.00           H
-ATOM   1602 HH12 ARG   104     -17.020  11.969  -1.481  1.00  1.00           H
-ATOM   1603 HH21 ARG   104     -19.924  10.405  -0.246  1.00  1.00           H
-ATOM   1604 HH22 ARG   104     -19.303  11.769  -1.112  1.00  1.00           H
-ATOM   1605  N   GLY   105     -17.735   5.101  -1.577  1.00  1.00           N
-ATOM   1606  CA  GLY   105     -18.962   4.335  -1.445  1.00  1.00           C
-ATOM   1607  C   GLY   105     -19.614   4.102  -2.810  1.00  1.00           C
-ATOM   1608  O   GLY   105     -20.590   4.764  -3.157  1.00  1.00           O
-ATOM   1609  H   GLY   105     -17.860   6.056  -1.847  1.00  1.00           H
-ATOM   1610  HA2 GLY   105     -18.748   3.377  -0.971  1.00  1.00           H
-ATOM   1611  HA3 GLY   105     -19.657   4.865  -0.792  1.00  1.00           H
-ATOM   1612  N   ILE   106     -19.047   3.158  -3.546  1.00  1.00           N
-ATOM   1613  CA  ILE   106     -19.559   2.829  -4.865  1.00  1.00           C
-ATOM   1614  C   ILE   106     -20.610   1.724  -4.738  1.00  1.00           C
-ATOM   1615  O   ILE   106     -21.640   1.761  -5.409  1.00  1.00           O
-ATOM   1620  H   ILE   106     -18.252   2.624  -3.256  1.00  1.00           H
-ATOM   1621  HA  ILE   106     -20.043   3.722  -5.260  1.00  1.00           H
-ATOM   1616  CB  ILE   106     -18.411   2.480  -5.815  1.00  1.00           C
-ATOM   1617  CG1 ILE   106     -18.938   2.139  -7.210  1.00  1.00           C
-ATOM   1618  CG2 ILE   106     -17.545   1.357  -5.239  1.00  1.00           C
-ATOM   1619  CD1 ILE   106     -19.423   0.690  -7.274  1.00  1.00           C
-ATOM   1622  HB  ILE   106     -17.774   3.357  -5.916  1.00  1.00           H
-ATOM   1623 HG12 ILE   106     -19.756   2.811  -7.467  1.00  1.00           H
-ATOM   1624 HG13 ILE   106     -18.152   2.297  -7.948  1.00  1.00           H
-ATOM   1625 HG21 ILE   106     -18.185   0.605  -4.777  1.00  1.00           H
-ATOM   1626 HG22 ILE   106     -16.966   0.898  -6.040  1.00  1.00           H
-ATOM   1627 HG23 ILE   106     -16.868   1.768  -4.490  1.00  1.00           H
-ATOM   1628 HD11 ILE   106     -19.444   0.269  -6.269  1.00  1.00           H
-ATOM   1629 HD12 ILE   106     -20.425   0.660  -7.702  1.00  1.00           H
-ATOM   1630 HD13 ILE   106     -18.744   0.107  -7.897  1.00  1.00           H
-ATOM   1631  N   HIS   107     -20.313   0.766  -3.872  1.00  1.00           N
-ATOM   1632  CA  HIS   107     -21.218  -0.348  -3.648  1.00  1.00           C
-ATOM   1633  C   HIS   107     -20.514  -1.425  -2.820  1.00  1.00           C
-ATOM   1634  O   HIS   107     -19.400  -1.831  -3.143  1.00  1.00           O
-ATOM   1641  H   HIS   107     -19.473   0.742  -3.330  1.00  1.00           H
-ATOM   1642  HA  HIS   107     -22.061   0.043  -3.079  1.00  1.00           H
-ATOM   1635  CB  HIS   107     -21.761  -0.883  -4.976  1.00  1.00           C
-ATOM   1636  CG  HIS   107     -23.256  -0.745  -5.129  1.00  1.00           C
-ATOM   1637  ND1 HIS   107     -24.087  -1.821  -5.385  1.00  1.00           N
-ATOM   1638  CD2 HIS   107     -24.062   0.354  -5.056  1.00  1.00           C
-ATOM   1639  CE1 HIS   107     -25.333  -1.380  -5.464  1.00  1.00           C
-ATOM   1640  NE2 HIS   107     -25.316  -0.031  -5.260  1.00  1.00           N
-ATOM   1643  HB2 HIS   107     -21.272  -0.355  -5.795  1.00  1.00           H
-ATOM   1644  HB3 HIS   107     -21.492  -1.935  -5.069  1.00  1.00           H
-ATOM   1645  HD1 HIS   107     -23.795  -2.772  -5.494  1.00  1.00           H
-ATOM   1646  HD2 HIS   107     -23.731   1.374  -4.864  1.00  1.00           H
-ATOM   1647  HE1 HIS   107     -26.217  -1.987  -5.657  1.00  1.00           H
-ATOM   1648  N   ARG   108     -21.194  -1.854  -1.766  1.00  1.00           N
-ATOM   1649  CA  ARG   108     -20.648  -2.875  -0.889  1.00  1.00           C
-ATOM   1650  C   ARG   108     -21.607  -3.146   0.272  1.00  1.00           C
-ATOM   1651  O   ARG   108     -21.332  -2.768   1.410  1.00  1.00           O
-ATOM   1659  H   ARG   108     -22.100  -1.517  -1.510  1.00  1.00           H
-ATOM   1660  HA  ARG   108     -20.537  -3.756  -1.521  1.00  1.00           H
-ATOM   1652  CB  ARG   108     -19.288  -2.450  -0.329  1.00  1.00           C
-ATOM   1653  CG  ARG   108     -19.372  -1.071   0.328  1.00  1.00           C
-ATOM   1654  CD  ARG   108     -19.024   0.034  -0.670  1.00  1.00           C
-ATOM   1655  NE  ARG   108     -18.368   1.162   0.030  1.00  1.00           N
-ATOM   1656  CZ  ARG   108     -18.980   1.942   0.932  1.00  1.00           C
-ATOM   1657  NH1 ARG   108     -20.263   1.723   1.247  1.00  1.00           N
-ATOM   1658  NH2 ARG   108     -18.307   2.942   1.518  1.00  1.00           N
-ATOM   1661  HB2 ARG   108     -18.945  -3.184   0.400  1.00  1.00           H
-ATOM   1662  HB3 ARG   108     -18.551  -2.429  -1.132  1.00  1.00           H
-ATOM   1663  HG2 ARG   108     -20.378  -0.910   0.717  1.00  1.00           H
-ATOM   1664  HG3 ARG   108     -18.691  -1.027   1.178  1.00  1.00           H
-ATOM   1665  HD2 ARG   108     -18.362  -0.358  -1.444  1.00  1.00           H
-ATOM   1666  HD3 ARG   108     -19.927   0.383  -1.171  1.00  1.00           H
-ATOM   1667  HE  ARG   108     -17.410   1.352  -0.181  1.00  1.00           H
-ATOM   1668 HH11 ARG   108     -20.765   0.978   0.811  1.00  1.00           H
-ATOM   1669 HH12 ARG   108     -20.719   2.306   1.921  1.00  1.00           H
-ATOM   1670 HH21 ARG   108     -17.348   3.105   1.283  1.00  1.00           H
-ATOM   1671 HH22 ARG   108     -18.763   3.525   2.191  1.00  1.00           H
-ATOM   1672  N   ASP   109     -22.713  -3.797  -0.056  1.00  1.00           N
-ATOM   1673  CA  ASP   109     -23.714  -4.123   0.944  1.00  1.00           C
-ATOM   1674  C   ASP   109     -24.243  -2.831   1.571  1.00  1.00           C
-ATOM   1675  O   ASP   109     -23.690  -1.765   1.224  1.00  1.00           O
-ATOM   1681  H   ASP   109     -22.929  -4.100  -0.984  1.00  1.00           H
-ATOM   1682  HA  ASP   109     -24.488  -4.673   0.408  1.00  1.00           H
-ATOM   1676  CB  ASP   109     -23.117  -4.981   2.063  1.00  1.00           C
-ATOM   1677  CG  ASP   109     -23.871  -4.924   3.393  1.00  1.00           C
-ATOM   1678  OD1 ASP   109     -25.036  -5.475   3.383  1.00  1.00           O
-ATOM   1679  OD2 ASP   109     -23.368  -4.382   4.389  1.00  1.00           O
-ATOM   1683  HB2 ASP   109     -23.083  -6.017   1.726  1.00  1.00           H
-ATOM   1684  HB3 ASP   109     -22.088  -4.666   2.231  1.00  1.00           H
-ATOM   1680  OXT ASP   109     -25.170  -2.863   2.378  1.00  1.00           O
-TER
-END
diff --git a/Mobi/data/stdout1 b/Mobi/data/stdout1
deleted file mode 100644
index e82fce4..0000000
--- a/Mobi/data/stdout1
+++ /dev/null
@@ -1,1695 +0,0 @@
-SEQRES   0   109   GLY SER GLY ASN SER LEU GLU LYS HIS SER TRP TYR HIS 
-SEQRES   1   109   GLY PRO VAL SER ARG ASN ALA ALA GLU TYR LEU LEU SER 
-SEQRES   2   109   SER GLY ILE ASN GLY SER PHE LEU VAL ARG GLU SER GLU 
-SEQRES   3   109   SER SER PRO GLY GLN ARG SER ILE SER LEU ARG TYR GLU 
-SEQRES   4   109   GLY ARG VAL TYR HIS TYR ARG ILE ASN THR ALA SER ASP 
-SEQRES   5   109   GLY LYS LEU TYR VAL SER SER GLU SER ARG PHE ASN THR 
-SEQRES   6   109   LEU ALA GLU LEU VAL HIS HIS HIS SER THR VAL ALA ASP 
-SEQRES   7   109   GLY LEU ILE THR THR LEU HIS TYR PRO ALA PRO LYS ARG 
-SEQRES   9   109   GLY ILE HIS ARG ASP 
-ATOM      1  N   GLY     1     -12.301  -1.087   1.440  1.00  1.00           N
-ATOM      2  CA  GLY     1     -12.028  -1.646   0.126  1.00  1.00           C
-ATOM      3  C   GLY     1     -11.475  -0.579  -0.821  1.00  1.00           C
-ATOM      4  O   GLY     1     -11.210   0.547  -0.405  1.00  1.00           O
-ATOM      5  H1  GLY     1     -11.478  -0.598   1.776  1.00  1.00           H
-ATOM      6  H2  GLY     1     -13.077  -0.437   1.375  1.00  1.00           H
-ATOM      7  H3  GLY     1     -12.537  -1.833   2.083  1.00  1.00           H
-ATOM      8  HA2 GLY     1     -11.312  -2.463   0.217  1.00  1.00           H
-ATOM      9  HA3 GLY     1     -12.942  -2.070  -0.289  1.00  1.00           H
-ATOM     10  N   SER     2     -11.320  -0.972  -2.077  1.00  1.00           N
-ATOM     11  CA  SER     2     -10.804  -0.064  -3.086  1.00  1.00           C
-ATOM     12  C   SER     2      -9.349   0.291  -2.777  1.00  1.00           C
-ATOM     13  O   SER     2      -8.443  -0.078  -3.523  1.00  1.00           O
-ATOM     16  H   SER     2     -11.538  -1.891  -2.406  1.00  1.00           H
-ATOM     17  HA  SER     2     -10.872  -0.609  -4.028  1.00  1.00           H
-ATOM     14  CB  SER     2     -11.654   1.206  -3.172  1.00  1.00           C
-ATOM     15  OG  SER     2     -12.907   0.968  -3.807  1.00  1.00           O
-ATOM     18  HB2 SER     2     -11.826   1.595  -2.167  1.00  1.00           H
-ATOM     19  HB3 SER     2     -11.108   1.972  -3.720  1.00  1.00           H
-ATOM     20  HG  SER     2     -12.976   0.008  -4.080  1.00  1.00           H
-ATOM     21  N   GLY     3      -9.169   1.005  -1.674  1.00  1.00           N
-ATOM     22  CA  GLY     3      -7.838   1.414  -1.257  1.00  1.00           C
-ATOM     23  C   GLY     3      -6.846   0.255  -1.371  1.00  1.00           C
-ATOM     24  O   GLY     3      -7.169  -0.880  -1.021  1.00  1.00           O
-ATOM     25  H   GLY     3      -9.910   1.302  -1.073  1.00  1.00           H
-ATOM     26  HA2 GLY     3      -7.501   2.249  -1.871  1.00  1.00           H
-ATOM     27  HA3 GLY     3      -7.871   1.769  -0.227  1.00  1.00           H
-ATOM     28  N   ASN     4      -5.660   0.579  -1.863  1.00  1.00           N
-ATOM     29  CA  ASN     4      -4.619  -0.420  -2.029  1.00  1.00           C
-ATOM     30  C   ASN     4      -3.249   0.255  -1.929  1.00  1.00           C
-ATOM     31  O   ASN     4      -2.410  -0.151  -1.128  1.00  1.00           O
-ATOM     36  H   ASN     4      -5.406   1.506  -2.144  1.00  1.00           H
-ATOM     37  HA  ASN     4      -4.787  -1.143  -1.230  1.00  1.00           H
-ATOM     32  CB  ASN     4      -4.715  -1.095  -3.398  1.00  1.00           C
-ATOM     33  CG  ASN     4      -3.651  -2.183  -3.550  1.00  1.00           C
-ATOM     34  OD1 ASN     4      -2.474  -1.973  -3.309  1.00  1.00           O
-ATOM     35  ND2 ASN     4      -4.128  -3.354  -3.963  1.00  1.00           N
-ATOM     38  HB2 ASN     4      -5.707  -1.531  -3.523  1.00  1.00           H
-ATOM     39  HB3 ASN     4      -4.595  -0.349  -4.184  1.00  1.00           H
-ATOM     40 HD21 ASN     4      -5.107  -3.459  -4.144  1.00  1.00           H
-ATOM     41 HD22 ASN     4      -3.510  -4.128  -4.093  1.00  1.00           H
-ATOM     42  N   SER     5      -3.067   1.274  -2.756  1.00  1.00           N
-ATOM     43  CA  SER     5      -1.813   2.009  -2.773  1.00  1.00           C
-ATOM     44  C   SER     5      -1.983   3.348  -2.051  1.00  1.00           C
-ATOM     45  O   SER     5      -1.519   4.379  -2.534  1.00  1.00           O
-ATOM     48  H   SER     5      -3.755   1.597  -3.405  1.00  1.00           H
-ATOM     49  HA  SER     5      -1.102   1.377  -2.243  1.00  1.00           H
-ATOM     46  CB  SER     5      -1.325   2.236  -4.205  1.00  1.00           C
-ATOM     47  OG  SER     5      -2.352   2.762  -5.040  1.00  1.00           O
-ATOM     50  HB2 SER     5      -0.477   2.920  -4.195  1.00  1.00           H
-ATOM     51  HB3 SER     5      -0.969   1.293  -4.619  1.00  1.00           H
-ATOM     52  HG  SER     5      -2.016   3.570  -5.527  1.00  1.00           H
-ATOM     53  N   LEU     6      -2.648   3.287  -0.907  1.00  1.00           N
-ATOM     54  CA  LEU     6      -2.884   4.483  -0.114  1.00  1.00           C
-ATOM     55  C   LEU     6      -3.750   5.458  -0.916  1.00  1.00           C
-ATOM     56  O   LEU     6      -3.617   5.553  -2.135  1.00  1.00           O
-ATOM     61  H   LEU     6      -3.021   2.444  -0.522  1.00  1.00           H
-ATOM     62  HA  LEU     6      -3.437   4.180   0.775  1.00  1.00           H
-ATOM     57  CB  LEU     6      -1.558   5.083   0.358  1.00  1.00           C
-ATOM     58  CG  LEU     6      -1.026   4.563   1.695  1.00  1.00           C
-ATOM     59  CD1 LEU     6      -1.997   4.884   2.834  1.00  1.00           C
-ATOM     60  CD2 LEU     6      -0.710   3.068   1.616  1.00  1.00           C
-ATOM     63  HB2 LEU     6      -0.805   4.896  -0.407  1.00  1.00           H
-ATOM     64  HB3 LEU     6      -1.677   6.163   0.431  1.00  1.00           H
-ATOM     65  HG  LEU     6      -0.091   5.079   1.914  1.00  1.00           H
-ATOM     66 HD11 LEU     6      -2.582   5.766   2.574  1.00  1.00           H
-ATOM     67 HD12 LEU     6      -2.665   4.037   2.990  1.00  1.00           H
-ATOM     68 HD13 LEU     6      -1.433   5.077   3.747  1.00  1.00           H
-ATOM     69 HD21 LEU     6      -0.128   2.867   0.717  1.00  1.00           H
-ATOM     70 HD22 LEU     6      -0.136   2.772   2.494  1.00  1.00           H
-ATOM     71 HD23 LEU     6      -1.640   2.501   1.581  1.00  1.00           H
-ATOM     72  N   GLU     7      -4.616   6.156  -0.199  1.00  1.00           N
-ATOM     73  CA  GLU     7      -5.502   7.120  -0.827  1.00  1.00           C
-ATOM     74  C   GLU     7      -4.734   8.394  -1.185  1.00  1.00           C
-ATOM     75  O   GLU     7      -4.973   9.452  -0.604  1.00  1.00           O
-ATOM     81  H   GLU     7      -4.717   6.074   0.793  1.00  1.00           H
-ATOM     82  HA  GLU     7      -5.860   6.637  -1.735  1.00  1.00           H
-ATOM     76  CB  GLU     7      -6.697   7.437   0.076  1.00  1.00           C
-ATOM     77  CG  GLU     7      -8.001   6.932  -0.544  1.00  1.00           C
-ATOM     78  CD  GLU     7      -9.206   7.685   0.023  1.00  1.00           C
-ATOM     79  OE1 GLU     7      -9.205   8.957  -0.191  1.00  1.00           O
-ATOM     80  OE2 GLU     7     -10.090   7.068   0.637  1.00  1.00           O
-ATOM     83  HB2 GLU     7      -6.551   6.975   1.053  1.00  1.00           H
-ATOM     84  HB3 GLU     7      -6.760   8.513   0.238  1.00  1.00           H
-ATOM     85  HG2 GLU     7      -7.967   7.058  -1.626  1.00  1.00           H
-ATOM     86  HG3 GLU     7      -8.111   5.864  -0.350  1.00  1.00           H
-ATOM     87  N   LYS     8      -3.826   8.251  -2.140  1.00  1.00           N
-ATOM     88  CA  LYS     8      -3.021   9.377  -2.582  1.00  1.00           C
-ATOM     89  C   LYS     8      -3.932  10.578  -2.840  1.00  1.00           C
-ATOM     90  O   LYS     8      -4.310  11.286  -1.907  1.00  1.00           O
-ATOM     96  H   LYS     8      -3.638   7.387  -2.607  1.00  1.00           H
-ATOM     97  HA  LYS     8      -2.338   9.627  -1.771  1.00  1.00           H
-ATOM     91  CB  LYS     8      -2.167   8.982  -3.788  1.00  1.00           C
-ATOM     92  CG  LYS     8      -0.787   9.639  -3.720  1.00  1.00           C
-ATOM     93  CD  LYS     8      -0.844  11.089  -4.202  1.00  1.00           C
-ATOM     94  CE  LYS     8      -0.514  12.059  -3.067  1.00  1.00           C
-ATOM     95  NZ  LYS     8       0.948  12.272  -2.977  1.00  1.00           N
-ATOM     98  HB2 LYS     8      -2.056   7.899  -3.823  1.00  1.00           H
-ATOM     99  HB3 LYS     8      -2.671   9.281  -4.708  1.00  1.00           H
-ATOM    100  HG2 LYS     8      -0.416   9.607  -2.696  1.00  1.00           H
-ATOM    101  HG3 LYS     8      -0.082   9.076  -4.332  1.00  1.00           H
-ATOM    102  HD2 LYS     8      -0.140  11.231  -5.023  1.00  1.00           H
-ATOM    103  HD3 LYS     8      -1.837  11.306  -4.594  1.00  1.00           H
-ATOM    104  HE2 LYS     8      -1.016  13.011  -3.236  1.00  1.00           H
-ATOM    105  HE3 LYS     8      -0.889  11.664  -2.124  1.00  1.00           H
-ATOM    106  HZ1 LYS     8       1.346  12.275  -3.904  1.00  1.00           H
-ATOM    107  HZ2 LYS     8       1.131  13.159  -2.529  1.00  1.00           H
-ATOM    108  HZ3 LYS     8       1.405  11.546  -2.438  1.00  1.00           H
-ATOM    109  N   HIS     9      -4.256  10.774  -4.110  1.00  1.00           N
-ATOM    110  CA  HIS     9      -5.114  11.879  -4.502  1.00  1.00           C
-ATOM    111  C   HIS     9      -6.581  11.480  -4.316  1.00  1.00           C
-ATOM    112  O   HIS     9      -6.880  10.328  -4.006  1.00  1.00           O
-ATOM    119  H   HIS     9      -3.944  10.194  -4.861  1.00  1.00           H
-ATOM    120  HA  HIS     9      -4.884  12.707  -3.831  1.00  1.00           H
-ATOM    113  CB  HIS     9      -4.800  12.332  -5.927  1.00  1.00           C
-ATOM    114  CG  HIS     9      -3.612  13.259  -6.030  1.00  1.00           C
-ATOM    115  ND1 HIS     9      -2.675  13.389  -5.020  1.00  1.00           N
-ATOM    116  CD2 HIS     9      -3.219  14.096  -7.032  1.00  1.00           C
-ATOM    117  CE1 HIS     9      -1.763  14.270  -5.407  1.00  1.00           C
-ATOM    118  NE2 HIS     9      -2.102  14.707  -6.654  1.00  1.00           N
-ATOM    121  HB2 HIS     9      -4.615  11.452  -6.545  1.00  1.00           H
-ATOM    122  HB3 HIS     9      -5.675  12.833  -6.341  1.00  1.00           H
-ATOM    123  HD1 HIS     9      -2.683  12.903  -4.146  1.00  1.00           H
-ATOM    124  HD2 HIS     9      -3.734  14.239  -7.981  1.00  1.00           H
-ATOM    125  HE1 HIS     9      -0.895  14.589  -4.830  1.00  1.00           H
-ATOM    126  N   SER    10      -7.454  12.456  -4.513  1.00  1.00           N
-ATOM    127  CA  SER    10      -8.882  12.222  -4.371  1.00  1.00           C
-ATOM    128  C   SER    10      -9.443  11.619  -5.660  1.00  1.00           C
-ATOM    129  O   SER    10     -10.607  11.837  -5.997  1.00  1.00           O
-ATOM    132  H   SER    10      -7.203  13.391  -4.765  1.00  1.00           H
-ATOM    133  HA  SER    10      -8.979  11.517  -3.545  1.00  1.00           H
-ATOM    130  CB  SER    10      -9.621  13.516  -4.025  1.00  1.00           C
-ATOM    131  OG  SER    10      -9.781  13.679  -2.619  1.00  1.00           O
-ATOM    134  HB2 SER    10      -9.072  14.366  -4.429  1.00  1.00           H
-ATOM    135  HB3 SER    10     -10.600  13.513  -4.503  1.00  1.00           H
-ATOM    136  HG  SER    10      -9.450  14.582  -2.339  1.00  1.00           H
-ATOM    137  N   TRP    11      -8.592  10.870  -6.346  1.00  1.00           N
-ATOM    138  CA  TRP    11      -8.989  10.235  -7.590  1.00  1.00           C
-ATOM    139  C   TRP    11      -8.217   8.919  -7.717  1.00  1.00           C
-ATOM    140  O   TRP    11      -8.292   8.247  -8.743  1.00  1.00           O
-ATOM    151  H   TRP    11      -7.648  10.698  -6.065  1.00  1.00           H
-ATOM    152  HA  TRP    11     -10.059  10.035  -7.536  1.00  1.00           H
-ATOM    141  CB  TRP    11      -8.771  11.171  -8.780  1.00  1.00           C
-ATOM    142  CG  TRP    11      -7.418  11.888  -8.767  1.00  1.00           C
-ATOM    143  CD1 TRP    11      -7.183  13.202  -8.649  1.00  1.00           C
-ATOM    144  CD2 TRP    11      -6.118  11.273  -8.882  1.00  1.00           C
-ATOM    145  NE1 TRP    11      -5.831  13.478  -8.680  1.00  1.00           N
-ATOM    146  CE2 TRP    11      -5.163  12.269  -8.825  1.00  1.00           C
-ATOM    147  CE3 TRP    11      -5.760   9.922  -9.029  1.00  1.00           C
-ATOM    148  CZ2 TRP    11      -3.788  12.016  -8.909  1.00  1.00           C
-ATOM    149  CZ3 TRP    11      -4.383   9.687  -9.111  1.00  1.00           C
-ATOM    150  CH2 TRP    11      -3.408  10.677  -9.055  1.00  1.00           C
-ATOM    153  HB2 TRP    11      -8.857  10.597  -9.702  1.00  1.00           H
-ATOM    154  HB3 TRP    11      -9.566  11.918  -8.793  1.00  1.00           H
-ATOM    155  HD1 TRP    11      -7.960  13.958  -8.542  1.00  1.00           H
-ATOM    156  HE1 TRP    11      -5.371  14.463  -8.604  1.00  1.00           H
-ATOM    157  HE3 TRP    11      -6.495   9.119  -9.077  1.00  1.00           H
-ATOM    158  HZ2 TRP    11      -3.053  12.819  -8.861  1.00  1.00           H
-ATOM    159  HZ3 TRP    11      -4.051   8.655  -9.225  1.00  1.00           H
-ATOM    160  HH2 TRP    11      -2.354  10.411  -9.126  1.00  1.00           H
-ATOM    161  N   TYR    12      -7.492   8.593  -6.657  1.00  1.00           N
-ATOM    162  CA  TYR    12      -6.706   7.369  -6.636  1.00  1.00           C
-ATOM    163  C   TYR    12      -7.098   6.487  -5.449  1.00  1.00           C
-ATOM    164  O   TYR    12      -6.888   6.863  -4.296  1.00  1.00           O
-ATOM    173  H   TYR    12      -7.435   9.145  -5.825  1.00  1.00           H
-ATOM    174  HA  TYR    12      -6.902   6.828  -7.561  1.00  1.00           H
-ATOM    165  CB  TYR    12      -5.249   7.808  -6.473  1.00  1.00           C
-ATOM    166  CG  TYR    12      -4.230   6.732  -6.859  1.00  1.00           C
-ATOM    167  CD1 TYR    12      -4.576   5.746  -7.758  1.00  1.00           C
-ATOM    168  CD2 TYR    12      -2.966   6.752  -6.306  1.00  1.00           C
-ATOM    169  CE1 TYR    12      -3.617   4.734  -8.121  1.00  1.00           C
-ATOM    170  CE2 TYR    12      -2.006   5.741  -6.669  1.00  1.00           C
-ATOM    171  CZ  TYR    12      -2.379   4.781  -7.559  1.00  1.00           C
-ATOM    172  OH  TYR    12      -1.474   3.827  -7.901  1.00  1.00           O
-ATOM    175  HB2 TYR    12      -5.076   8.693  -7.083  1.00  1.00           H
-ATOM    176  HB3 TYR    12      -5.082   8.097  -5.435  1.00  1.00           H
-ATOM    177  HD1 TYR    12      -5.576   5.731  -8.194  1.00  1.00           H
-ATOM    178  HD2 TYR    12      -2.692   7.531  -5.595  1.00  1.00           H
-ATOM    179  HE1 TYR    12      -3.877   3.949  -8.831  1.00  1.00           H
-ATOM    180  HE2 TYR    12      -1.004   5.744  -6.241  1.00  1.00           H
-ATOM    181  HH  TYR    12      -1.318   3.843  -8.889  1.00  1.00           H
-ATOM    182  N   HIS    13      -7.659   5.330  -5.771  1.00  1.00           N
-ATOM    183  CA  HIS    13      -8.080   4.392  -4.746  1.00  1.00           C
-ATOM    184  C   HIS    13      -7.310   3.081  -4.903  1.00  1.00           C
-ATOM    185  O   HIS    13      -7.696   2.058  -4.338  1.00  1.00           O
-ATOM    192  H   HIS    13      -7.824   5.033  -6.711  1.00  1.00           H
-ATOM    193  HA  HIS    13      -7.824   4.842  -3.786  1.00  1.00           H
-ATOM    186  CB  HIS    13      -9.598   4.197  -4.779  1.00  1.00           C
-ATOM    187  CG  HIS    13     -10.261   4.753  -6.016  1.00  1.00           C
-ATOM    188  ND1 HIS    13     -11.015   3.975  -6.877  1.00  1.00           N
-ATOM    189  CD2 HIS    13     -10.277   6.017  -6.527  1.00  1.00           C
-ATOM    190  CE1 HIS    13     -11.459   4.747  -7.858  1.00  1.00           C
-ATOM    191  NE2 HIS    13     -10.999   6.013  -7.640  1.00  1.00           N
-ATOM    194  HB2 HIS    13      -9.817   3.132  -4.708  1.00  1.00           H
-ATOM    195  HB3 HIS    13     -10.034   4.671  -3.900  1.00  1.00           H
-ATOM    196  HD1 HIS    13     -11.195   2.996  -6.775  1.00  1.00           H
-ATOM    197  HD2 HIS    13      -9.779   6.886  -6.094  1.00  1.00           H
-ATOM    198  HE1 HIS    13     -12.082   4.427  -8.693  1.00  1.00           H
-ATOM    199  N   GLY    14      -6.235   3.151  -5.674  1.00  1.00           N
-ATOM    200  CA  GLY    14      -5.407   1.981  -5.912  1.00  1.00           C
-ATOM    201  C   GLY    14      -5.423   1.590  -7.392  1.00  1.00           C
-ATOM    202  O   GLY    14      -6.147   2.187  -8.187  1.00  1.00           O
-ATOM    203  H   GLY    14      -5.927   3.986  -6.129  1.00  1.00           H
-ATOM    204  HA2 GLY    14      -4.383   2.185  -5.598  1.00  1.00           H
-ATOM    205  HA3 GLY    14      -5.766   1.148  -5.308  1.00  1.00           H
-ATOM    206  N   PRO    15      -4.595   0.564  -7.724  1.00  1.00           N
-ATOM    207  CA  PRO    15      -4.508   0.086  -9.094  1.00  1.00           C
-ATOM    208  C   PRO    15      -5.739  -0.742  -9.465  1.00  1.00           C
-ATOM    209  O   PRO    15      -6.052  -1.727  -8.800  1.00  1.00           O
-ATOM    213  HA  PRO    15      -4.494   0.858  -9.730  1.00  1.00           H
-ATOM    210  CB  PRO    15      -3.215  -0.712  -9.150  1.00  1.00           C
-ATOM    211  CG  PRO    15      -2.866  -1.042  -7.707  1.00  1.00           C
-ATOM    212  CD  PRO    15      -3.723  -0.166  -6.809  1.00  1.00           C
-ATOM    214  HB2 PRO    15      -3.343  -1.620  -9.739  1.00  1.00           H
-ATOM    215  HB3 PRO    15      -2.420  -0.136  -9.622  1.00  1.00           H
-ATOM    216  HG2 PRO    15      -3.050  -2.096  -7.503  1.00  1.00           H
-ATOM    217  HG3 PRO    15      -1.807  -0.861  -7.521  1.00  1.00           H
-ATOM    218  HD2 PRO    15      -4.300  -0.765  -6.106  1.00  1.00           H
-ATOM    219  HD3 PRO    15      -3.109   0.515  -6.219  1.00  1.00           H
-ATOM    220  N   VAL    16      -6.404  -0.310 -10.527  1.00  1.00           N
-ATOM    221  CA  VAL    16      -7.594  -0.999 -10.995  1.00  1.00           C
-ATOM    222  C   VAL    16      -7.397  -1.415 -12.455  1.00  1.00           C
-ATOM    223  O   VAL    16      -6.661  -0.764 -13.196  1.00  1.00           O
-ATOM    227  H   VAL    16      -6.143   0.492 -11.064  1.00  1.00           H
-ATOM    228  HA  VAL    16      -7.714  -1.897 -10.388  1.00  1.00           H
-ATOM    224  CB  VAL    16      -8.826  -0.117 -10.786  1.00  1.00           C
-ATOM    225  CG1 VAL    16     -10.054  -0.716 -11.476  1.00  1.00           C
-ATOM    226  CG2 VAL    16      -9.091   0.110  -9.296  1.00  1.00           C
-ATOM    229  HB  VAL    16      -8.625   0.853 -11.240  1.00  1.00           H
-ATOM    230 HG11 VAL    16      -9.985  -1.805 -11.460  1.00  1.00           H
-ATOM    231 HG12 VAL    16     -10.955  -0.401 -10.951  1.00  1.00           H
-ATOM    232 HG13 VAL    16     -10.094  -0.371 -12.509  1.00  1.00           H
-ATOM    233 HG21 VAL    16      -9.169  -0.853  -8.791  1.00  1.00           H
-ATOM    234 HG22 VAL    16      -8.271   0.682  -8.864  1.00  1.00           H
-ATOM    235 HG23 VAL    16     -10.024   0.660  -9.172  1.00  1.00           H
-ATOM    236  N   SER    17      -8.068  -2.496 -12.825  1.00  1.00           N
-ATOM    237  CA  SER    17      -7.976  -3.004 -14.183  1.00  1.00           C
-ATOM    238  C   SER    17      -8.760  -2.100 -15.134  1.00  1.00           C
-ATOM    239  O   SER    17      -9.765  -1.505 -14.746  1.00  1.00           O
-ATOM    242  H   SER    17      -8.665  -3.019 -12.217  1.00  1.00           H
-ATOM    243  HA  SER    17      -6.914  -2.986 -14.426  1.00  1.00           H
-ATOM    240  CB  SER    17      -8.494  -4.441 -14.269  1.00  1.00           C
-ATOM    241  OG  SER    17      -8.571  -4.902 -15.614  1.00  1.00           O
-ATOM    244  HB2 SER    17      -7.837  -5.099 -13.698  1.00  1.00           H
-ATOM    245  HB3 SER    17      -9.481  -4.500 -13.808  1.00  1.00           H
-ATOM    246  HG  SER    17      -7.813  -5.526 -15.807  1.00  1.00           H
-ATOM    247  N   ARG    18      -8.274  -2.025 -16.365  1.00  1.00           N
-ATOM    248  CA  ARG    18      -8.917  -1.203 -17.376  1.00  1.00           C
-ATOM    249  C   ARG    18     -10.411  -1.523 -17.449  1.00  1.00           C
-ATOM    250  O   ARG    18     -11.234  -0.623 -17.610  1.00  1.00           O
-ATOM    258  H   ARG    18      -7.456  -2.512 -16.674  1.00  1.00           H
-ATOM    259  HA  ARG    18      -8.750  -0.177 -17.048  1.00  1.00           H
-ATOM    251  CB  ARG    18      -8.287  -1.429 -18.752  1.00  1.00           C
-ATOM    252  CG  ARG    18      -9.199  -2.278 -19.640  1.00  1.00           C
-ATOM    253  CD  ARG    18      -8.549  -2.545 -20.999  1.00  1.00           C
-ATOM    254  NE  ARG    18      -7.534  -3.615 -20.873  1.00  1.00           N
-ATOM    255  CZ  ARG    18      -6.423  -3.688 -21.617  1.00  1.00           C
-ATOM    256  NH1 ARG    18      -6.176  -2.753 -22.546  1.00  1.00           N
-ATOM    257  NH2 ARG    18      -5.558  -4.695 -21.434  1.00  1.00           N
-ATOM    260  HB2 ARG    18      -8.098  -0.469 -19.232  1.00  1.00           H
-ATOM    261  HB3 ARG    18      -7.322  -1.924 -18.638  1.00  1.00           H
-ATOM    262  HG2 ARG    18      -9.416  -3.225 -19.144  1.00  1.00           H
-ATOM    263  HG3 ARG    18     -10.152  -1.768 -19.782  1.00  1.00           H
-ATOM    264  HD2 ARG    18      -9.309  -2.836 -21.724  1.00  1.00           H
-ATOM    265  HD3 ARG    18      -8.084  -1.633 -21.374  1.00  1.00           H
-ATOM    266  HE  ARG    18      -7.687  -4.328 -20.189  1.00  1.00           H
-ATOM    267 HH11 ARG    18      -6.822  -2.002 -22.683  1.00  1.00           H
-ATOM    268 HH12 ARG    18      -5.346  -2.808 -23.102  1.00  1.00           H
-ATOM    269 HH21 ARG    18      -5.741  -5.391 -20.742  1.00  1.00           H
-ATOM    270 HH22 ARG    18      -4.728  -4.749 -21.990  1.00  1.00           H
-ATOM    271  N   ASN    19     -10.716  -2.806 -17.323  1.00  1.00           N
-ATOM    272  CA  ASN    19     -12.097  -3.256 -17.371  1.00  1.00           C
-ATOM    273  C   ASN    19     -12.932  -2.433 -16.387  1.00  1.00           C
-ATOM    274  O   ASN    19     -13.847  -1.717 -16.790  1.00  1.00           O
-ATOM    279  H   ASN    19     -10.040  -3.531 -17.191  1.00  1.00           H
-ATOM    280  HA  ASN    19     -12.410  -3.110 -18.406  1.00  1.00           H
-ATOM    275  CB  ASN    19     -12.211  -4.728 -16.974  1.00  1.00           C
-ATOM    276  CG  ASN    19     -11.934  -5.642 -18.169  1.00  1.00           C
-ATOM    277  OD1 ASN    19     -12.834  -6.109 -18.849  1.00  1.00           O
-ATOM    278  ND2 ASN    19     -10.643  -5.870 -18.387  1.00  1.00           N
-ATOM    281  HB2 ASN    19     -11.506  -4.948 -16.172  1.00  1.00           H
-ATOM    282  HB3 ASN    19     -13.209  -4.926 -16.584  1.00  1.00           H
-ATOM    283 HD21 ASN    19      -9.953  -5.456 -17.792  1.00  1.00           H
-ATOM    284 HD22 ASN    19     -10.360  -6.456 -19.147  1.00  1.00           H
-ATOM    285  N   ALA    20     -12.585  -2.563 -15.116  1.00  1.00           N
-ATOM    286  CA  ALA    20     -13.290  -1.841 -14.069  1.00  1.00           C
-ATOM    287  C   ALA    20     -13.107  -0.337 -14.283  1.00  1.00           C
-ATOM    288  O   ALA    20     -14.044   0.439 -14.093  1.00  1.00           O
-ATOM    290  H   ALA    20     -11.839  -3.147 -14.796  1.00  1.00           H
-ATOM    291  HA  ALA    20     -14.349  -2.085 -14.154  1.00  1.00           H
-ATOM    289  CB  ALA    20     -12.786  -2.303 -12.701  1.00  1.00           C
-ATOM    292  HB1 ALA    20     -12.204  -3.218 -12.817  1.00  1.00           H
-ATOM    293  HB2 ALA    20     -12.157  -1.527 -12.264  1.00  1.00           H
-ATOM    294  HB3 ALA    20     -13.636  -2.494 -12.045  1.00  1.00           H
-ATOM    295  N   ALA    21     -11.894   0.030 -14.670  1.00  1.00           N
-ATOM    296  CA  ALA    21     -11.577   1.427 -14.910  1.00  1.00           C
-ATOM    297  C   ALA    21     -12.681   2.058 -15.762  1.00  1.00           C
-ATOM    298  O   ALA    21     -13.091   3.191 -15.512  1.00  1.00           O
-ATOM    300  H   ALA    21     -11.139  -0.608 -14.821  1.00  1.00           H
-ATOM    301  HA  ALA    21     -11.543   1.930 -13.944  1.00  1.00           H
-ATOM    299  CB  ALA    21     -10.199   1.532 -15.569  1.00  1.00           C
-ATOM    302  HB1 ALA    21      -9.624   0.632 -15.353  1.00  1.00           H
-ATOM    303  HB2 ALA    21     -10.320   1.636 -16.647  1.00  1.00           H
-ATOM    304  HB3 ALA    21      -9.675   2.403 -15.177  1.00  1.00           H
-ATOM    305  N   GLU    22     -13.129   1.297 -16.749  1.00  1.00           N
-ATOM    306  CA  GLU    22     -14.178   1.767 -17.640  1.00  1.00           C
-ATOM    307  C   GLU    22     -15.525   1.776 -16.915  1.00  1.00           C
-ATOM    308  O   GLU    22     -16.358   2.648 -17.157  1.00  1.00           O
-ATOM    314  H   GLU    22     -12.790   0.377 -16.945  1.00  1.00           H
-ATOM    315  HA  GLU    22     -13.894   2.785 -17.907  1.00  1.00           H
-ATOM    309  CB  GLU    22     -14.242   0.915 -18.908  1.00  1.00           C
-ATOM    310  CG  GLU    22     -13.426   1.547 -20.037  1.00  1.00           C
-ATOM    311  CD  GLU    22     -14.228   1.584 -21.339  1.00  1.00           C
-ATOM    312  OE1 GLU    22     -15.117   2.457 -21.435  1.00  1.00           O
-ATOM    313  OE2 GLU    22     -13.932   0.737 -22.211  1.00  1.00           O
-ATOM    316  HB2 GLU    22     -13.864  -0.086 -18.699  1.00  1.00           H
-ATOM    317  HB3 GLU    22     -15.280   0.804 -19.223  1.00  1.00           H
-ATOM    318  HG2 GLU    22     -13.135   2.561 -19.757  1.00  1.00           H
-ATOM    319  HG3 GLU    22     -12.506   0.982 -20.187  1.00  1.00           H
-ATOM    320  N   TYR    23     -15.696   0.797 -16.040  1.00  1.00           N
-ATOM    321  CA  TYR    23     -16.928   0.681 -15.279  1.00  1.00           C
-ATOM    322  C   TYR    23     -16.980   1.721 -14.157  1.00  1.00           C
-ATOM    323  O   TYR    23     -17.834   2.605 -14.165  1.00  1.00           O
-ATOM    332  H   TYR    23     -15.013   0.091 -15.848  1.00  1.00           H
-ATOM    333  HA  TYR    23     -17.762   0.851 -15.960  1.00  1.00           H
-ATOM    324  CB  TYR    23     -16.912  -0.718 -14.660  1.00  1.00           C
-ATOM    325  CG  TYR    23     -18.175  -1.064 -13.870  1.00  1.00           C
-ATOM    326  CD1 TYR    23     -19.419  -0.869 -14.436  1.00  1.00           C
-ATOM    327  CD2 TYR    23     -18.072  -1.573 -12.590  1.00  1.00           C
-ATOM    328  CE1 TYR    23     -20.608  -1.195 -13.693  1.00  1.00           C
-ATOM    329  CE2 TYR    23     -19.262  -1.898 -11.847  1.00  1.00           C
-ATOM    330  CZ  TYR    23     -20.471  -1.693 -12.435  1.00  1.00           C
-ATOM    331  OH  TYR    23     -21.594  -2.001 -11.733  1.00  1.00           O
-ATOM    334  HB2 TYR    23     -16.779  -1.455 -15.453  1.00  1.00           H
-ATOM    335  HB3 TYR    23     -16.048  -0.803 -13.999  1.00  1.00           H
-ATOM    336  HD1 TYR    23     -19.500  -0.469 -15.447  1.00  1.00           H
-ATOM    337  HD2 TYR    23     -17.090  -1.726 -12.143  1.00  1.00           H
-ATOM    338  HE1 TYR    23     -21.596  -1.046 -14.128  1.00  1.00           H
-ATOM    339  HE2 TYR    23     -19.194  -2.300 -10.836  1.00  1.00           H
-ATOM    340  HH  TYR    23     -21.907  -2.920 -11.973  1.00  1.00           H
-ATOM    341  N   LEU    24     -16.054   1.579 -13.220  1.00  1.00           N
-ATOM    342  CA  LEU    24     -15.982   2.495 -12.095  1.00  1.00           C
-ATOM    343  C   LEU    24     -15.936   3.932 -12.614  1.00  1.00           C
-ATOM    344  O   LEU    24     -16.400   4.855 -11.944  1.00  1.00           O
-ATOM    349  H   LEU    24     -15.363   0.857 -13.220  1.00  1.00           H
-ATOM    350  HA  LEU    24     -16.895   2.367 -11.511  1.00  1.00           H
-ATOM    345  CB  LEU    24     -14.809   2.133 -11.181  1.00  1.00           C
-ATOM    346  CG  LEU    24     -13.415   2.456 -11.723  1.00  1.00           C
-ATOM    347  CD1 LEU    24     -13.027   3.902 -11.411  1.00  1.00           C
-ATOM    348  CD2 LEU    24     -12.379   1.458 -11.199  1.00  1.00           C
-ATOM    351  HB2 LEU    24     -14.938   2.653 -10.232  1.00  1.00           H
-ATOM    352  HB3 LEU    24     -14.857   1.065 -10.968  1.00  1.00           H
-ATOM    353  HG  LEU    24     -13.437   2.355 -12.808  1.00  1.00           H
-ATOM    354 HD11 LEU    24     -13.252   4.122 -10.367  1.00  1.00           H
-ATOM    355 HD12 LEU    24     -11.960   4.039 -11.590  1.00  1.00           H
-ATOM    356 HD13 LEU    24     -13.593   4.576 -12.054  1.00  1.00           H
-ATOM    357 HD21 LEU    24     -12.890   0.591 -10.782  1.00  1.00           H
-ATOM    358 HD22 LEU    24     -11.734   1.142 -12.017  1.00  1.00           H
-ATOM    359 HD23 LEU    24     -11.778   1.934 -10.424  1.00  1.00           H
-ATOM    360  N   LEU    25     -15.374   4.080 -13.805  1.00  1.00           N
-ATOM    361  CA  LEU    25     -15.262   5.390 -14.423  1.00  1.00           C
-ATOM    362  C   LEU    25     -16.637   6.058 -14.446  1.00  1.00           C
-ATOM    363  O   LEU    25     -17.362   5.959 -15.435  1.00  1.00           O
-ATOM    368  H   LEU    25     -15.000   3.325 -14.343  1.00  1.00           H
-ATOM    369  HA  LEU    25     -14.596   5.990 -13.800  1.00  1.00           H
-ATOM    364  CB  LEU    25     -14.608   5.278 -15.802  1.00  1.00           C
-ATOM    365  CG  LEU    25     -15.010   6.344 -16.823  1.00  1.00           C
-ATOM    366  CD1 LEU    25     -14.925   7.745 -16.216  1.00  1.00           C
-ATOM    367  CD2 LEU    25     -14.177   6.221 -18.101  1.00  1.00           C
-ATOM    370  HB2 LEU    25     -13.526   5.315 -15.674  1.00  1.00           H
-ATOM    371  HB3 LEU    25     -14.847   4.298 -16.216  1.00  1.00           H
-ATOM    372  HG  LEU    25     -16.051   6.175 -17.100  1.00  1.00           H
-ATOM    373 HD11 LEU    25     -14.200   7.745 -15.402  1.00  1.00           H
-ATOM    374 HD12 LEU    25     -14.611   8.455 -16.981  1.00  1.00           H
-ATOM    375 HD13 LEU    25     -15.903   8.035 -15.831  1.00  1.00           H
-ATOM    376 HD21 LEU    25     -13.119   6.315 -17.855  1.00  1.00           H
-ATOM    377 HD22 LEU    25     -14.358   5.248 -18.560  1.00  1.00           H
-ATOM    378 HD23 LEU    25     -14.460   7.010 -18.796  1.00  1.00           H
-ATOM    379  N   SER    26     -16.956   6.724 -13.346  1.00  1.00           N
-ATOM    380  CA  SER    26     -18.232   7.408 -13.228  1.00  1.00           C
-ATOM    381  C   SER    26     -19.285   6.704 -14.088  1.00  1.00           C
-ATOM    382  O   SER    26     -19.739   5.613 -13.750  1.00  1.00           O
-ATOM    385  H   SER    26     -16.360   6.799 -12.546  1.00  1.00           H
-ATOM    386  HA  SER    26     -18.496   7.345 -12.172  1.00  1.00           H
-ATOM    383  CB  SER    26     -18.109   8.877 -13.635  1.00  1.00           C
-ATOM    384  OG  SER    26     -17.471   9.659 -12.630  1.00  1.00           O
-ATOM    387  HB2 SER    26     -17.542   8.949 -14.564  1.00  1.00           H
-ATOM    388  HB3 SER    26     -19.101   9.282 -13.837  1.00  1.00           H
-ATOM    389  HG  SER    26     -18.117  10.325 -12.254  1.00  1.00           H
-ATOM    390  N   SER    27     -19.640   7.359 -15.184  1.00  1.00           N
-ATOM    391  CA  SER    27     -20.631   6.809 -16.094  1.00  1.00           C
-ATOM    392  C   SER    27     -20.925   7.811 -17.213  1.00  1.00           C
-ATOM    393  O   SER    27     -22.058   7.909 -17.682  1.00  1.00           O
-ATOM    396  H   SER    27     -19.266   8.246 -15.452  1.00  1.00           H
-ATOM    397  HA  SER    27     -20.178   5.905 -16.501  1.00  1.00           H
-ATOM    394  CB  SER    27     -21.918   6.447 -15.354  1.00  1.00           C
-ATOM    395  OG  SER    27     -21.983   5.058 -15.043  1.00  1.00           O
-ATOM    398  HB2 SER    27     -21.984   7.027 -14.435  1.00  1.00           H
-ATOM    399  HB3 SER    27     -22.779   6.720 -15.966  1.00  1.00           H
-ATOM    400  HG  SER    27     -22.854   4.846 -14.600  1.00  1.00           H
-ATOM    401  N   GLY    28     -19.885   8.530 -17.609  1.00  1.00           N
-ATOM    402  CA  GLY    28     -20.017   9.522 -18.663  1.00  1.00           C
-ATOM    403  C   GLY    28     -20.095  10.934 -18.081  1.00  1.00           C
-ATOM    404  O   GLY    28     -21.168  11.535 -18.044  1.00  1.00           O
-ATOM    405  H   GLY    28     -18.966   8.445 -17.223  1.00  1.00           H
-ATOM    406  HA2 GLY    28     -19.169   9.451 -19.343  1.00  1.00           H
-ATOM    407  HA3 GLY    28     -20.912   9.315 -19.250  1.00  1.00           H
-ATOM    408  N   ILE    29     -18.945  11.423 -17.642  1.00  1.00           N
-ATOM    409  CA  ILE    29     -18.871  12.754 -17.064  1.00  1.00           C
-ATOM    410  C   ILE    29     -18.241  13.712 -18.078  1.00  1.00           C
-ATOM    411  O   ILE    29     -17.950  13.322 -19.207  1.00  1.00           O
-ATOM    416  H   ILE    29     -18.077  10.929 -17.677  1.00  1.00           H
-ATOM    417  HA  ILE    29     -19.892  13.083 -16.867  1.00  1.00           H
-ATOM    412  CB  ILE    29     -18.140  12.716 -15.720  1.00  1.00           C
-ATOM    413  CG1 ILE    29     -17.179  11.526 -15.653  1.00  1.00           C
-ATOM    414  CG2 ILE    29     -19.134  12.714 -14.556  1.00  1.00           C
-ATOM    415  CD1 ILE    29     -16.313  11.591 -14.393  1.00  1.00           C
-ATOM    418  HB  ILE    29     -17.542  13.620 -15.630  1.00  1.00           H
-ATOM    419 HG12 ILE    29     -17.745  10.595 -15.663  1.00  1.00           H
-ATOM    420 HG13 ILE    29     -16.540  11.521 -16.537  1.00  1.00           H
-ATOM    421 HG21 ILE    29     -20.040  13.244 -14.850  1.00  1.00           H
-ATOM    422 HG22 ILE    29     -19.384  11.685 -14.293  1.00  1.00           H
-ATOM    423 HG23 ILE    29     -18.686  13.210 -13.696  1.00  1.00           H
-ATOM    424 HD11 ILE    29     -16.870  12.086 -13.597  1.00  1.00           H
-ATOM    425 HD12 ILE    29     -16.053  10.581 -14.079  1.00  1.00           H
-ATOM    426 HD13 ILE    29     -15.404  12.153 -14.606  1.00  1.00           H
-ATOM    427  N   ASN    30     -18.049  14.947 -17.638  1.00  1.00           N
-ATOM    428  CA  ASN    30     -17.459  15.963 -18.493  1.00  1.00           C
-ATOM    429  C   ASN    30     -15.965  15.678 -18.659  1.00  1.00           C
-ATOM    430  O   ASN    30     -15.274  16.379 -19.397  1.00  1.00           O
-ATOM    435  H   ASN    30     -18.289  15.256 -16.718  1.00  1.00           H
-ATOM    436  HA  ASN    30     -18.003  15.896 -19.435  1.00  1.00           H
-ATOM    431  CB  ASN    30     -17.609  17.354 -17.878  1.00  1.00           C
-ATOM    432  CG  ASN    30     -19.082  17.695 -17.641  1.00  1.00           C
-ATOM    433  OD1 ASN    30     -19.563  17.743 -16.520  1.00  1.00           O
-ATOM    434  ND2 ASN    30     -19.769  17.925 -18.756  1.00  1.00           N
-ATOM    437  HB2 ASN    30     -17.066  17.401 -16.933  1.00  1.00           H
-ATOM    438  HB3 ASN    30     -17.162  18.099 -18.537  1.00  1.00           H
-ATOM    439 HD21 ASN    30     -19.314  17.869 -19.645  1.00  1.00           H
-ATOM    440 HD22 ASN    30     -20.741  18.156 -18.706  1.00  1.00           H
-ATOM    441  N   GLY    31     -15.510  14.648 -17.961  1.00  1.00           N
-ATOM    442  CA  GLY    31     -14.110  14.262 -18.022  1.00  1.00           C
-ATOM    443  C   GLY    31     -13.699  13.492 -16.765  1.00  1.00           C
-ATOM    444  O   GLY    31     -13.969  13.931 -15.648  1.00  1.00           O
-ATOM    445  H   GLY    31     -16.079  14.083 -17.363  1.00  1.00           H
-ATOM    446  HA2 GLY    31     -13.937  13.645 -18.904  1.00  1.00           H
-ATOM    447  HA3 GLY    31     -13.488  15.151 -18.129  1.00  1.00           H
-ATOM    448  N   SER    32     -13.052  12.358 -16.990  1.00  1.00           N
-ATOM    449  CA  SER    32     -12.600  11.523 -15.890  1.00  1.00           C
-ATOM    450  C   SER    32     -11.255  10.881 -16.238  1.00  1.00           C
-ATOM    451  O   SER    32     -11.060  10.406 -17.355  1.00  1.00           O
-ATOM    454  H   SER    32     -12.836  12.008 -17.902  1.00  1.00           H
-ATOM    455  HA  SER    32     -12.494  12.198 -15.041  1.00  1.00           H
-ATOM    452  CB  SER    32     -13.633  10.444 -15.558  1.00  1.00           C
-ATOM    453  OG  SER    32     -13.869  10.345 -14.156  1.00  1.00           O
-ATOM    456  HB2 SER    32     -14.568  10.668 -16.069  1.00  1.00           H
-ATOM    457  HB3 SER    32     -13.285   9.481 -15.935  1.00  1.00           H
-ATOM    458  HG  SER    32     -13.267   9.654 -13.755  1.00  1.00           H
-ATOM    459  N   PHE    33     -10.361  10.890 -15.260  1.00  1.00           N
-ATOM    460  CA  PHE    33      -9.039  10.316 -15.448  1.00  1.00           C
-ATOM    461  C   PHE    33      -8.647   9.444 -14.255  1.00  1.00           C
-ATOM    462  O   PHE    33      -8.346   9.957 -13.177  1.00  1.00           O
-ATOM    470  H   PHE    33     -10.527  11.280 -14.353  1.00  1.00           H
-ATOM    471  HA  PHE    33      -9.080   9.702 -16.347  1.00  1.00           H
-ATOM    463  CB  PHE    33      -8.056  11.482 -15.559  1.00  1.00           C
-ATOM    464  CG  PHE    33      -8.596  12.680 -16.343  1.00  1.00           C
-ATOM    465  CD1 PHE    33      -9.848  13.148 -16.091  1.00  1.00           C
-ATOM    466  CD2 PHE    33      -7.825  13.276 -17.291  1.00  1.00           C
-ATOM    467  CE1 PHE    33     -10.350  14.261 -16.819  1.00  1.00           C
-ATOM    468  CE2 PHE    33      -8.326  14.387 -18.019  1.00  1.00           C
-ATOM    469  CZ  PHE    33      -9.578  14.856 -17.767  1.00  1.00           C
-ATOM    472  HB2 PHE    33      -7.784  11.811 -14.555  1.00  1.00           H
-ATOM    473  HB3 PHE    33      -7.142  11.129 -16.038  1.00  1.00           H
-ATOM    474  HD1 PHE    33     -10.466  12.671 -15.331  1.00  1.00           H
-ATOM    475  HD2 PHE    33      -6.823  12.900 -17.493  1.00  1.00           H
-ATOM    476  HE1 PHE    33     -11.353  14.636 -16.617  1.00  1.00           H
-ATOM    477  HE2 PHE    33      -7.708  14.865 -18.780  1.00  1.00           H
-ATOM    478  HZ  PHE    33      -9.963  15.709 -18.326  1.00  1.00           H
-ATOM    479  N   LEU    34      -8.660   8.139 -14.486  1.00  1.00           N
-ATOM    480  CA  LEU    34      -8.308   7.191 -13.443  1.00  1.00           C
-ATOM    481  C   LEU    34      -6.991   6.503 -13.809  1.00  1.00           C
-ATOM    482  O   LEU    34      -6.858   5.946 -14.898  1.00  1.00           O
-ATOM    487  H   LEU    34      -8.905   7.729 -15.365  1.00  1.00           H
-ATOM    488  HA  LEU    34      -8.158   7.757 -12.524  1.00  1.00           H
-ATOM    483  CB  LEU    34      -9.461   6.217 -13.192  1.00  1.00           C
-ATOM    484  CG  LEU    34      -9.456   4.939 -14.036  1.00  1.00           C
-ATOM    485  CD1 LEU    34      -9.122   3.717 -13.177  1.00  1.00           C
-ATOM    486  CD2 LEU    34     -10.780   4.770 -14.784  1.00  1.00           C
-ATOM    489  HB2 LEU    34      -9.449   5.934 -12.140  1.00  1.00           H
-ATOM    490  HB3 LEU    34     -10.399   6.742 -13.372  1.00  1.00           H
-ATOM    491  HG  LEU    34      -8.672   5.029 -14.787  1.00  1.00           H
-ATOM    492 HD11 LEU    34      -8.927   4.036 -12.153  1.00  1.00           H
-ATOM    493 HD12 LEU    34      -9.963   3.025 -13.189  1.00  1.00           H
-ATOM    494 HD13 LEU    34      -8.238   3.222 -13.580  1.00  1.00           H
-ATOM    495 HD21 LEU    34     -11.519   5.459 -14.374  1.00  1.00           H
-ATOM    496 HD22 LEU    34     -10.629   4.985 -15.842  1.00  1.00           H
-ATOM    497 HD23 LEU    34     -11.134   3.747 -14.667  1.00  1.00           H
-ATOM    498  N   VAL    35      -6.049   6.563 -12.877  1.00  1.00           N
-ATOM    499  CA  VAL    35      -4.748   5.955 -13.088  1.00  1.00           C
-ATOM    500  C   VAL    35      -4.899   4.431 -13.098  1.00  1.00           C
-ATOM    501  O   VAL    35      -5.735   3.882 -12.383  1.00  1.00           O
-ATOM    505  H   VAL    35      -6.166   7.018 -11.994  1.00  1.00           H
-ATOM    506  HA  VAL    35      -4.388   6.277 -14.064  1.00  1.00           H
-ATOM    502  CB  VAL    35      -3.760   6.450 -12.029  1.00  1.00           C
-ATOM    503  CG1 VAL    35      -3.839   5.596 -10.763  1.00  1.00           C
-ATOM    504  CG2 VAL    35      -2.335   6.481 -12.582  1.00  1.00           C
-ATOM    507  HB  VAL    35      -4.039   7.470 -11.764  1.00  1.00           H
-ATOM    508 HG11 VAL    35      -4.832   5.155 -10.684  1.00  1.00           H
-ATOM    509 HG12 VAL    35      -3.092   4.804 -10.813  1.00  1.00           H
-ATOM    510 HG13 VAL    35      -3.648   6.221  -9.891  1.00  1.00           H
-ATOM    511 HG21 VAL    35      -2.366   6.425 -13.671  1.00  1.00           H
-ATOM    512 HG22 VAL    35      -1.847   7.408 -12.281  1.00  1.00           H
-ATOM    513 HG23 VAL    35      -1.774   5.633 -12.191  1.00  1.00           H
-ATOM    514  N   ARG    36      -4.074   3.793 -13.915  1.00  1.00           N
-ATOM    515  CA  ARG    36      -4.105   2.343 -14.027  1.00  1.00           C
-ATOM    516  C   ARG    36      -2.708   1.764 -13.794  1.00  1.00           C
-ATOM    517  O   ARG    36      -1.726   2.502 -13.747  1.00  1.00           O
-ATOM    525  H   ARG    36      -3.395   4.246 -14.492  1.00  1.00           H
-ATOM    526  HA  ARG    36      -4.798   2.019 -13.252  1.00  1.00           H
-ATOM    518  CB  ARG    36      -4.607   1.909 -15.405  1.00  1.00           C
-ATOM    519  CG  ARG    36      -5.414   0.612 -15.310  1.00  1.00           C
-ATOM    520  CD  ARG    36      -5.051  -0.343 -16.449  1.00  1.00           C
-ATOM    521  NE  ARG    36      -5.233  -1.745 -16.010  1.00  1.00           N
-ATOM    522  CZ  ARG    36      -5.153  -2.804 -16.827  1.00  1.00           C
-ATOM    523  NH1 ARG    36      -4.894  -2.628 -18.129  1.00  1.00           N
-ATOM    524  NH2 ARG    36      -5.334  -4.041 -16.342  1.00  1.00           N
-ATOM    527  HB2 ARG    36      -5.227   2.696 -15.835  1.00  1.00           H
-ATOM    528  HB3 ARG    36      -3.761   1.766 -16.076  1.00  1.00           H
-ATOM    529  HG2 ARG    36      -5.222   0.131 -14.351  1.00  1.00           H
-ATOM    530  HG3 ARG    36      -6.479   0.838 -15.346  1.00  1.00           H
-ATOM    531  HD2 ARG    36      -5.677  -0.141 -17.317  1.00  1.00           H
-ATOM    532  HD3 ARG    36      -4.018  -0.182 -16.755  1.00  1.00           H
-ATOM    533  HE  ARG    36      -5.428  -1.913 -15.043  1.00  1.00           H
-ATOM    534 HH11 ARG    36      -4.761  -1.706 -18.492  1.00  1.00           H
-ATOM    535 HH12 ARG    36      -4.836  -3.418 -18.739  1.00  1.00           H
-ATOM    536 HH21 ARG    36      -5.526  -4.173 -15.369  1.00  1.00           H
-ATOM    537 HH22 ARG    36      -5.274  -4.832 -16.952  1.00  1.00           H
-ATOM    538  N   GLU    37      -2.665   0.447 -13.656  1.00  1.00           N
-ATOM    539  CA  GLU    37      -1.405  -0.241 -13.429  1.00  1.00           C
-ATOM    540  C   GLU    37      -1.172  -1.293 -14.517  1.00  1.00           C
-ATOM    541  O   GLU    37      -1.945  -2.241 -14.643  1.00  1.00           O
-ATOM    547  H   GLU    37      -3.469  -0.146 -13.696  1.00  1.00           H
-ATOM    548  HA  GLU    37      -0.638   0.532 -13.492  1.00  1.00           H
-ATOM    542  CB  GLU    37      -1.369  -0.873 -12.037  1.00  1.00           C
-ATOM    543  CG  GLU    37      -0.211  -0.309 -11.209  1.00  1.00           C
-ATOM    544  CD  GLU    37       0.656  -1.435 -10.641  1.00  1.00           C
-ATOM    545  OE1 GLU    37       0.763  -2.472 -11.330  1.00  1.00           O
-ATOM    546  OE2 GLU    37       1.193  -1.232  -9.531  1.00  1.00           O
-ATOM    549  HB2 GLU    37      -2.311  -0.686 -11.523  1.00  1.00           H
-ATOM    550  HB3 GLU    37      -1.263  -1.954 -12.127  1.00  1.00           H
-ATOM    551  HG2 GLU    37       0.400   0.346 -11.831  1.00  1.00           H
-ATOM    552  HG3 GLU    37      -0.604   0.299 -10.395  1.00  1.00           H
-ATOM    553  N   SER    38      -0.103  -1.090 -15.271  1.00  1.00           N
-ATOM    554  CA  SER    38       0.241  -2.010 -16.342  1.00  1.00           C
-ATOM    555  C   SER    38       0.785  -3.315 -15.757  1.00  1.00           C
-ATOM    556  O   SER    38       1.072  -3.392 -14.563  1.00  1.00           O
-ATOM    559  H   SER    38       0.521  -0.317 -15.162  1.00  1.00           H
-ATOM    560  HA  SER    38      -0.690  -2.190 -16.879  1.00  1.00           H
-ATOM    557  CB  SER    38       1.265  -1.388 -17.295  1.00  1.00           C
-ATOM    558  OG  SER    38       1.191  -1.952 -18.600  1.00  1.00           O
-ATOM    561  HB2 SER    38       1.097  -0.312 -17.355  1.00  1.00           H
-ATOM    562  HB3 SER    38       2.267  -1.533 -16.894  1.00  1.00           H
-ATOM    563  HG  SER    38       2.107  -2.190 -18.924  1.00  1.00           H
-ATOM    564  N   GLU    39       0.912  -4.308 -16.625  1.00  1.00           N
-ATOM    565  CA  GLU    39       1.415  -5.605 -16.210  1.00  1.00           C
-ATOM    566  C   GLU    39       2.588  -6.029 -17.098  1.00  1.00           C
-ATOM    567  O   GLU    39       3.552  -6.624 -16.618  1.00  1.00           O
-ATOM    573  H   GLU    39       0.676  -4.237 -17.594  1.00  1.00           H
-ATOM    574  HA  GLU    39       1.760  -5.467 -15.184  1.00  1.00           H
-ATOM    568  CB  GLU    39       0.305  -6.658 -16.229  1.00  1.00           C
-ATOM    569  CG  GLU    39      -0.607  -6.514 -15.009  1.00  1.00           C
-ATOM    570  CD  GLU    39      -2.012  -6.074 -15.424  1.00  1.00           C
-ATOM    571  OE1 GLU    39      -2.418  -6.455 -16.543  1.00  1.00           O
-ATOM    572  OE2 GLU    39      -2.649  -5.366 -14.614  1.00  1.00           O
-ATOM    575  HB2 GLU    39      -0.282  -6.554 -17.141  1.00  1.00           H
-ATOM    576  HB3 GLU    39       0.745  -7.656 -16.243  1.00  1.00           H
-ATOM    577  HG2 GLU    39      -0.661  -7.464 -14.477  1.00  1.00           H
-ATOM    578  HG3 GLU    39      -0.183  -5.785 -14.317  1.00  1.00           H
-ATOM    579  N   SER    40       2.467  -5.705 -18.376  1.00  1.00           N
-ATOM    580  CA  SER    40       3.504  -6.044 -19.336  1.00  1.00           C
-ATOM    581  C   SER    40       4.882  -5.928 -18.681  1.00  1.00           C
-ATOM    582  O   SER    40       5.778  -6.719 -18.968  1.00  1.00           O
-ATOM    585  H   SER    40       1.680  -5.220 -18.759  1.00  1.00           H
-ATOM    586  HA  SER    40       3.303  -7.075 -19.625  1.00  1.00           H
-ATOM    583  CB  SER    40       3.427  -5.145 -20.572  1.00  1.00           C
-ATOM    584  OG  SER    40       3.519  -5.891 -21.782  1.00  1.00           O
-ATOM    587  HB2 SER    40       2.488  -4.590 -20.558  1.00  1.00           H
-ATOM    588  HB3 SER    40       4.231  -4.410 -20.536  1.00  1.00           H
-ATOM    589  HG  SER    40       3.782  -6.835 -21.582  1.00  1.00           H
-ATOM    590  N   SER    41       5.006  -4.936 -17.811  1.00  1.00           N
-ATOM    591  CA  SER    41       6.260  -4.707 -17.113  1.00  1.00           C
-ATOM    592  C   SER    41       6.091  -5.012 -15.624  1.00  1.00           C
-ATOM    593  O   SER    41       5.052  -4.712 -15.037  1.00  1.00           O
-ATOM    596  H   SER    41       4.272  -4.296 -17.583  1.00  1.00           H
-ATOM    597  HA  SER    41       6.973  -5.394 -17.567  1.00  1.00           H
-ATOM    594  CB  SER    41       6.744  -3.269 -17.309  1.00  1.00           C
-ATOM    595  OG  SER    41       7.947  -3.210 -18.071  1.00  1.00           O
-ATOM    598  HB2 SER    41       5.969  -2.690 -17.810  1.00  1.00           H
-ATOM    599  HB3 SER    41       6.908  -2.806 -16.335  1.00  1.00           H
-ATOM    600  HG  SER    41       7.825  -3.689 -18.939  1.00  1.00           H
-ATOM    601  N   PRO    42       7.158  -5.621 -15.038  1.00  1.00           N
-ATOM    602  CA  PRO    42       7.139  -5.969 -13.627  1.00  1.00           C
-ATOM    603  C   PRO    42       7.322  -4.728 -12.752  1.00  1.00           C
-ATOM    604  O   PRO    42       8.263  -4.653 -11.965  1.00  1.00           O
-ATOM    608  HA  PRO    42       6.249  -6.351 -13.377  1.00  1.00           H
-ATOM    605  CB  PRO    42       8.255  -6.985 -13.458  1.00  1.00           C
-ATOM    606  CG  PRO    42       9.157  -6.821 -14.672  1.00  1.00           C
-ATOM    607  CD  PRO    42       8.405  -5.990 -15.699  1.00  1.00           C
-ATOM    609  HB2 PRO    42       8.809  -6.808 -12.535  1.00  1.00           H
-ATOM    610  HB3 PRO    42       7.858  -7.997 -13.402  1.00  1.00           H
-ATOM    611  HG2 PRO    42      10.089  -6.331 -14.392  1.00  1.00           H
-ATOM    612  HG3 PRO    42       9.420  -7.794 -15.087  1.00  1.00           H
-ATOM    613  HD2 PRO    42       8.977  -5.108 -15.989  1.00  1.00           H
-ATOM    614  HD3 PRO    42       8.217  -6.560 -16.608  1.00  1.00           H
-ATOM    615  N   GLY    43       6.406  -3.784 -12.920  1.00  1.00           N
-ATOM    616  CA  GLY    43       6.456  -2.549 -12.156  1.00  1.00           C
-ATOM    617  C   GLY    43       6.229  -1.336 -13.058  1.00  1.00           C
-ATOM    618  O   GLY    43       7.075  -0.446 -13.132  1.00  1.00           O
-ATOM    619  H   GLY    43       5.644  -3.853 -13.562  1.00  1.00           H
-ATOM    620  HA2 GLY    43       5.698  -2.572 -11.373  1.00  1.00           H
-ATOM    621  HA3 GLY    43       7.422  -2.463 -11.659  1.00  1.00           H
-ATOM    622  N   GLN    44       5.083  -1.339 -13.723  1.00  1.00           N
-ATOM    623  CA  GLN    44       4.735  -0.249 -14.620  1.00  1.00           C
-ATOM    624  C   GLN    44       3.297   0.210 -14.362  1.00  1.00           C
-ATOM    625  O   GLN    44       2.473  -0.562 -13.871  1.00  1.00           O
-ATOM    631  H   GLN    44       4.400  -2.068 -13.659  1.00  1.00           H
-ATOM    632  HA  GLN    44       5.428   0.556 -14.379  1.00  1.00           H
-ATOM    626  CB  GLN    44       4.927  -0.659 -16.082  1.00  1.00           C
-ATOM    627  CG  GLN    44       5.921   0.269 -16.783  1.00  1.00           C
-ATOM    628  CD  GLN    44       5.236   1.066 -17.896  1.00  1.00           C
-ATOM    629  OE1 GLN    44       4.088   1.465 -17.791  1.00  1.00           O
-ATOM    630  NE2 GLN    44       6.003   1.275 -18.961  1.00  1.00           N
-ATOM    633  HB2 GLN    44       5.284  -1.687 -16.131  1.00  1.00           H
-ATOM    634  HB3 GLN    44       3.968  -0.629 -16.600  1.00  1.00           H
-ATOM    635  HG2 GLN    44       6.360   0.953 -16.058  1.00  1.00           H
-ATOM    636  HG3 GLN    44       6.738  -0.319 -17.202  1.00  1.00           H
-ATOM    637 HE21 GLN    44       6.936   0.920 -18.982  1.00  1.00           H
-ATOM    638 HE22 GLN    44       5.644   1.787 -19.742  1.00  1.00           H
-ATOM    639  N   ARG    45       3.039   1.462 -14.708  1.00  1.00           N
-ATOM    640  CA  ARG    45       1.717   2.033 -14.520  1.00  1.00           C
-ATOM    641  C   ARG    45       1.152   2.514 -15.859  1.00  1.00           C
-ATOM    642  O   ARG    45       1.876   2.589 -16.851  1.00  1.00           O
-ATOM    650  H   ARG    45       3.714   2.082 -15.107  1.00  1.00           H
-ATOM    651  HA  ARG    45       1.117   1.218 -14.113  1.00  1.00           H
-ATOM    643  CB  ARG    45       1.755   3.206 -13.539  1.00  1.00           C
-ATOM    644  CG  ARG    45       1.264   2.780 -12.154  1.00  1.00           C
-ATOM    645  CD  ARG    45       2.279   1.860 -11.471  1.00  1.00           C
-ATOM    646  NE  ARG    45       1.829   1.542 -10.098  1.00  1.00           N
-ATOM    647  CZ  ARG    45       1.791   2.430  -9.094  1.00  1.00           C
-ATOM    648  NH1 ARG    45       2.176   3.696  -9.306  1.00  1.00           N
-ATOM    649  NH2 ARG    45       1.367   2.052  -7.880  1.00  1.00           N
-ATOM    652  HB2 ARG    45       2.774   3.590 -13.466  1.00  1.00           H
-ATOM    653  HB3 ARG    45       1.136   4.020 -13.915  1.00  1.00           H
-ATOM    654  HG2 ARG    45       1.094   3.663 -11.538  1.00  1.00           H
-ATOM    655  HG3 ARG    45       0.307   2.266 -12.247  1.00  1.00           H
-ATOM    656  HD2 ARG    45       2.394   0.942 -12.047  1.00  1.00           H
-ATOM    657  HD3 ARG    45       3.256   2.343 -11.439  1.00  1.00           H
-ATOM    658  HE  ARG    45       1.534   0.606  -9.906  1.00  1.00           H
-ATOM    659 HH11 ARG    45       2.492   3.978 -10.212  1.00  1.00           H
-ATOM    660 HH12 ARG    45       2.149   4.358  -8.558  1.00  1.00           H
-ATOM    661 HH21 ARG    45       1.080   1.107  -7.723  1.00  1.00           H
-ATOM    662 HH22 ARG    45       1.340   2.715  -7.131  1.00  1.00           H
-ATOM    663  N   SER    46      -0.135   2.830 -15.843  1.00  1.00           N
-ATOM    664  CA  SER    46      -0.804   3.303 -17.042  1.00  1.00           C
-ATOM    665  C   SER    46      -1.674   4.518 -16.712  1.00  1.00           C
-ATOM    666  O   SER    46      -1.709   4.968 -15.569  1.00  1.00           O
-ATOM    669  H   SER    46      -0.715   2.768 -15.031  1.00  1.00           H
-ATOM    670  HA  SER    46      -0.005   3.580 -17.730  1.00  1.00           H
-ATOM    667  CB  SER    46      -1.654   2.196 -17.671  1.00  1.00           C
-ATOM    668  OG  SER    46      -1.831   1.093 -16.788  1.00  1.00           O
-ATOM    671  HB2 SER    46      -2.627   2.600 -17.948  1.00  1.00           H
-ATOM    672  HB3 SER    46      -1.178   1.852 -18.590  1.00  1.00           H
-ATOM    673  HG  SER    46      -1.581   1.357 -15.856  1.00  1.00           H
-ATOM    674  N   ILE    47      -2.354   5.014 -17.736  1.00  1.00           N
-ATOM    675  CA  ILE    47      -3.221   6.168 -17.569  1.00  1.00           C
-ATOM    676  C   ILE    47      -4.569   5.888 -18.235  1.00  1.00           C
-ATOM    677  O   ILE    47      -4.618   5.368 -19.349  1.00  1.00           O
-ATOM    682  H   ILE    47      -2.319   4.642 -18.663  1.00  1.00           H
-ATOM    683  HA  ILE    47      -3.386   6.301 -16.499  1.00  1.00           H
-ATOM    678  CB  ILE    47      -2.532   7.434 -18.082  1.00  1.00           C
-ATOM    679  CG1 ILE    47      -2.619   8.562 -17.050  1.00  1.00           C
-ATOM    680  CG2 ILE    47      -3.100   7.855 -19.439  1.00  1.00           C
-ATOM    681  CD1 ILE    47      -1.222   9.018 -16.620  1.00  1.00           C
-ATOM    684  HB  ILE    47      -1.476   7.212 -18.229  1.00  1.00           H
-ATOM    685 HG12 ILE    47      -3.167   9.403 -17.471  1.00  1.00           H
-ATOM    686 HG13 ILE    47      -3.178   8.220 -16.179  1.00  1.00           H
-ATOM    687 HG21 ILE    47      -4.181   7.723 -19.438  1.00  1.00           H
-ATOM    688 HG22 ILE    47      -2.861   8.902 -19.623  1.00  1.00           H
-ATOM    689 HG23 ILE    47      -2.659   7.238 -20.223  1.00  1.00           H
-ATOM    690 HD11 ILE    47      -0.495   8.728 -17.377  1.00  1.00           H
-ATOM    691 HD12 ILE    47      -1.215  10.103 -16.506  1.00  1.00           H
-ATOM    692 HD13 ILE    47      -0.965   8.550 -15.669  1.00  1.00           H
-ATOM    693  N   SER    48      -5.630   6.245 -17.526  1.00  1.00           N
-ATOM    694  CA  SER    48      -6.975   6.039 -18.035  1.00  1.00           C
-ATOM    695  C   SER    48      -7.753   7.356 -18.005  1.00  1.00           C
-ATOM    696  O   SER    48      -8.246   7.766 -16.956  1.00  1.00           O
-ATOM    699  H   SER    48      -5.581   6.668 -16.621  1.00  1.00           H
-ATOM    700  HA  SER    48      -6.845   5.694 -19.060  1.00  1.00           H
-ATOM    697  CB  SER    48      -7.712   4.969 -17.226  1.00  1.00           C
-ATOM    698  OG  SER    48      -8.253   3.948 -18.061  1.00  1.00           O
-ATOM    701  HB2 SER    48      -7.025   4.523 -16.506  1.00  1.00           H
-ATOM    702  HB3 SER    48      -8.514   5.434 -16.655  1.00  1.00           H
-ATOM    703  HG  SER    48      -8.860   4.352 -18.746  1.00  1.00           H
-ATOM    704  N   LEU    49      -7.840   7.982 -19.169  1.00  1.00           N
-ATOM    705  CA  LEU    49      -8.551   9.243 -19.291  1.00  1.00           C
-ATOM    706  C   LEU    49      -9.935   8.989 -19.886  1.00  1.00           C
-ATOM    707  O   LEU    49     -10.097   8.121 -20.743  1.00  1.00           O
-ATOM    712  H   LEU    49      -7.436   7.641 -20.019  1.00  1.00           H
-ATOM    713  HA  LEU    49      -8.673   9.646 -18.286  1.00  1.00           H
-ATOM    708  CB  LEU    49      -7.716  10.253 -20.083  1.00  1.00           C
-ATOM    709  CG  LEU    49      -6.215   9.969 -20.161  1.00  1.00           C
-ATOM    710  CD1 LEU    49      -5.457  11.177 -20.713  1.00  1.00           C
-ATOM    711  CD2 LEU    49      -5.671   9.522 -18.803  1.00  1.00           C
-ATOM    714  HB2 LEU    49      -8.111  10.302 -21.097  1.00  1.00           H
-ATOM    715  HB3 LEU    49      -7.858  11.239 -19.638  1.00  1.00           H
-ATOM    716  HG  LEU    49      -6.059   9.146 -20.858  1.00  1.00           H
-ATOM    717 HD11 LEU    49      -5.977  12.093 -20.431  1.00  1.00           H
-ATOM    718 HD12 LEU    49      -4.447  11.192 -20.304  1.00  1.00           H
-ATOM    719 HD13 LEU    49      -5.406  11.110 -21.800  1.00  1.00           H
-ATOM    720 HD21 LEU    49      -6.236  10.005 -18.008  1.00  1.00           H
-ATOM    721 HD22 LEU    49      -5.766   8.439 -18.713  1.00  1.00           H
-ATOM    722 HD23 LEU    49      -4.619   9.801 -18.724  1.00  1.00           H
-ATOM    723  N   ARG    50     -10.900   9.761 -19.409  1.00  1.00           N
-ATOM    724  CA  ARG    50     -12.268   9.630 -19.883  1.00  1.00           C
-ATOM    725  C   ARG    50     -12.673  10.868 -20.684  1.00  1.00           C
-ATOM    726  O   ARG    50     -12.437  11.996 -20.253  1.00  1.00           O
-ATOM    734  H   ARG    50     -10.761  10.465 -18.712  1.00  1.00           H
-ATOM    735  HA  ARG    50     -12.260   8.740 -20.512  1.00  1.00           H
-ATOM    727  CB  ARG    50     -13.241   9.445 -18.716  1.00  1.00           C
-ATOM    728  CG  ARG    50     -14.672   9.778 -19.139  1.00  1.00           C
-ATOM    729  CD  ARG    50     -15.168   8.804 -20.209  1.00  1.00           C
-ATOM    730  NE  ARG    50     -16.303   8.010 -19.686  1.00  1.00           N
-ATOM    731  CZ  ARG    50     -17.033   7.164 -20.425  1.00  1.00           C
-ATOM    732  NH1 ARG    50     -16.752   6.998 -21.726  1.00  1.00           N
-ATOM    733  NH2 ARG    50     -18.044   6.486 -19.867  1.00  1.00           N
-ATOM    736  HB2 ARG    50     -13.193   8.418 -18.356  1.00  1.00           H
-ATOM    737  HB3 ARG    50     -12.944  10.087 -17.886  1.00  1.00           H
-ATOM    738  HG2 ARG    50     -15.331   9.735 -18.271  1.00  1.00           H
-ATOM    739  HG3 ARG    50     -14.716  10.797 -19.521  1.00  1.00           H
-ATOM    740  HD2 ARG    50     -15.479   9.354 -21.098  1.00  1.00           H
-ATOM    741  HD3 ARG    50     -14.358   8.140 -20.513  1.00  1.00           H
-ATOM    742  HE  ARG    50     -16.539   8.111 -18.720  1.00  1.00           H
-ATOM    743 HH11 ARG    50     -15.997   7.505 -22.144  1.00  1.00           H
-ATOM    744 HH12 ARG    50     -17.297   6.367 -22.277  1.00  1.00           H
-ATOM    745 HH21 ARG    50     -18.253   6.611 -18.896  1.00  1.00           H
-ATOM    746 HH22 ARG    50     -18.588   5.855 -20.419  1.00  1.00           H
-ATOM    747  N   TYR    51     -13.275  10.617 -21.838  1.00  1.00           N
-ATOM    748  CA  TYR    51     -13.715  11.697 -22.704  1.00  1.00           C
-ATOM    749  C   TYR    51     -15.242  11.801 -22.719  1.00  1.00           C
-ATOM    750  O   TYR    51     -15.894  11.565 -21.704  1.00  1.00           O
-ATOM    759  H   TYR    51     -13.464   9.697 -22.181  1.00  1.00           H
-ATOM    760  HA  TYR    51     -13.299  12.628 -22.317  1.00  1.00           H
-ATOM    751  CB  TYR    51     -13.226  11.338 -24.107  1.00  1.00           C
-ATOM    752  CG  TYR    51     -12.342  12.409 -24.751  1.00  1.00           C
-ATOM    753  CD1 TYR    51     -12.908  13.572 -25.233  1.00  1.00           C
-ATOM    754  CD2 TYR    51     -10.980  12.211 -24.850  1.00  1.00           C
-ATOM    755  CE1 TYR    51     -12.077  14.579 -25.839  1.00  1.00           C
-ATOM    756  CE2 TYR    51     -10.148  13.220 -25.457  1.00  1.00           C
-ATOM    757  CZ  TYR    51     -10.737  14.353 -25.921  1.00  1.00           C
-ATOM    758  OH  TYR    51      -9.952  15.305 -26.493  1.00  1.00           O
-ATOM    761  HB2 TYR    51     -12.668  10.402 -24.059  1.00  1.00           H
-ATOM    762  HB3 TYR    51     -14.089  11.161 -24.748  1.00  1.00           H
-ATOM    763  HD1 TYR    51     -13.984  13.728 -25.155  1.00  1.00           H
-ATOM    764  HD2 TYR    51     -10.534  11.293 -24.470  1.00  1.00           H
-ATOM    765  HE1 TYR    51     -12.509  15.502 -26.224  1.00  1.00           H
-ATOM    766  HE2 TYR    51      -9.071  13.076 -25.540  1.00  1.00           H
-ATOM    767  HH  TYR    51     -10.457  16.165 -26.567  1.00  1.00           H
-ATOM    768  N   GLU    52     -15.767  12.154 -23.883  1.00  1.00           N
-ATOM    769  CA  GLU    52     -17.204  12.291 -24.046  1.00  1.00           C
-ATOM    770  C   GLU    52     -17.901  10.962 -23.747  1.00  1.00           C
-ATOM    771  O   GLU    52     -18.431  10.766 -22.654  1.00  1.00           O
-ATOM    777  H   GLU    52     -15.229  12.344 -24.704  1.00  1.00           H
-ATOM    778  HA  GLU    52     -17.508  13.041 -23.314  1.00  1.00           H
-ATOM    772  CB  GLU    52     -17.554  12.790 -25.449  1.00  1.00           C
-ATOM    773  CG  GLU    52     -16.581  12.228 -26.488  1.00  1.00           C
-ATOM    774  CD  GLU    52     -17.324  11.794 -27.753  1.00  1.00           C
-ATOM    775  OE1 GLU    52     -18.242  12.539 -28.157  1.00  1.00           O
-ATOM    776  OE2 GLU    52     -16.953  10.726 -28.289  1.00  1.00           O
-ATOM    779  HB2 GLU    52     -18.572  12.495 -25.700  1.00  1.00           H
-ATOM    780  HB3 GLU    52     -17.523  13.880 -25.469  1.00  1.00           H
-ATOM    781  HG2 GLU    52     -15.836  12.983 -26.740  1.00  1.00           H
-ATOM    782  HG3 GLU    52     -16.044  11.379 -26.066  1.00  1.00           H
-ATOM    783  N   GLY    53     -17.878  10.083 -24.738  1.00  1.00           N
-ATOM    784  CA  GLY    53     -18.501   8.778 -24.595  1.00  1.00           C
-ATOM    785  C   GLY    53     -17.514   7.660 -24.932  1.00  1.00           C
-ATOM    786  O   GLY    53     -17.886   6.662 -25.550  1.00  1.00           O
-ATOM    787  H   GLY    53     -17.445  10.250 -25.623  1.00  1.00           H
-ATOM    788  HA2 GLY    53     -18.863   8.654 -23.575  1.00  1.00           H
-ATOM    789  HA3 GLY    53     -19.369   8.712 -25.252  1.00  1.00           H
-ATOM    790  N   ARG    54     -16.274   7.862 -24.512  1.00  1.00           N
-ATOM    791  CA  ARG    54     -15.230   6.882 -24.762  1.00  1.00           C
-ATOM    792  C   ARG    54     -14.164   6.951 -23.666  1.00  1.00           C
-ATOM    793  O   ARG    54     -14.116   7.914 -22.901  1.00  1.00           O
-ATOM    801  H   ARG    54     -15.980   8.675 -24.011  1.00  1.00           H
-ATOM    802  HA  ARG    54     -15.742   5.920 -24.750  1.00  1.00           H
-ATOM    794  CB  ARG    54     -14.571   7.114 -26.122  1.00  1.00           C
-ATOM    795  CG  ARG    54     -14.519   5.819 -26.936  1.00  1.00           C
-ATOM    796  CD  ARG    54     -15.783   5.654 -27.782  1.00  1.00           C
-ATOM    797  NE  ARG    54     -16.047   4.218 -28.022  1.00  1.00           N
-ATOM    798  CZ  ARG    54     -16.774   3.441 -27.208  1.00  1.00           C
-ATOM    799  NH1 ARG    54     -17.314   3.957 -26.095  1.00  1.00           N
-ATOM    800  NH2 ARG    54     -16.960   2.147 -27.506  1.00  1.00           N
-ATOM    803  HB2 ARG    54     -15.125   7.873 -26.674  1.00  1.00           H
-ATOM    804  HB3 ARG    54     -13.560   7.499 -25.980  1.00  1.00           H
-ATOM    805  HG2 ARG    54     -13.642   5.827 -27.582  1.00  1.00           H
-ATOM    806  HG3 ARG    54     -14.413   4.967 -26.264  1.00  1.00           H
-ATOM    807  HD2 ARG    54     -16.634   6.108 -27.274  1.00  1.00           H
-ATOM    808  HD3 ARG    54     -15.664   6.175 -28.732  1.00  1.00           H
-ATOM    809  HE  ARG    54     -15.658   3.801 -28.845  1.00  1.00           H
-ATOM    810 HH11 ARG    54     -17.174   4.921 -25.873  1.00  1.00           H
-ATOM    811 HH12 ARG    54     -17.856   3.377 -25.487  1.00  1.00           H
-ATOM    812 HH21 ARG    54     -16.557   1.762 -28.336  1.00  1.00           H
-ATOM    813 HH22 ARG    54     -17.503   1.568 -26.898  1.00  1.00           H
-ATOM    814  N   VAL    55     -13.333   5.921 -23.626  1.00  1.00           N
-ATOM    815  CA  VAL    55     -12.270   5.853 -22.638  1.00  1.00           C
-ATOM    816  C   VAL    55     -10.949   5.529 -23.337  1.00  1.00           C
-ATOM    817  O   VAL    55     -10.935   4.843 -24.358  1.00  1.00           O
-ATOM    821  H   VAL    55     -13.379   5.142 -24.252  1.00  1.00           H
-ATOM    822  HA  VAL    55     -12.190   6.836 -22.173  1.00  1.00           H
-ATOM    818  CB  VAL    55     -12.633   4.842 -21.548  1.00  1.00           C
-ATOM    819  CG1 VAL    55     -11.627   4.892 -20.398  1.00  1.00           C
-ATOM    820  CG2 VAL    55     -14.058   5.071 -21.039  1.00  1.00           C
-ATOM    823  HB  VAL    55     -12.591   3.845 -21.988  1.00  1.00           H
-ATOM    824 HG11 VAL    55     -10.913   5.697 -20.573  1.00  1.00           H
-ATOM    825 HG12 VAL    55     -12.153   5.071 -19.460  1.00  1.00           H
-ATOM    826 HG13 VAL    55     -11.095   3.941 -20.339  1.00  1.00           H
-ATOM    827 HG21 VAL    55     -14.745   5.099 -21.886  1.00  1.00           H
-ATOM    828 HG22 VAL    55     -14.339   4.259 -20.369  1.00  1.00           H
-ATOM    829 HG23 VAL    55     -14.104   6.018 -20.503  1.00  1.00           H
-ATOM    830  N   TYR    56      -9.870   6.038 -22.761  1.00  1.00           N
-ATOM    831  CA  TYR    56      -8.547   5.813 -23.316  1.00  1.00           C
-ATOM    832  C   TYR    56      -7.622   5.166 -22.283  1.00  1.00           C
-ATOM    833  O   TYR    56      -7.529   5.633 -21.150  1.00  1.00           O
-ATOM    842  H   TYR    56      -9.891   6.595 -21.931  1.00  1.00           H
-ATOM    843  HA  TYR    56      -8.650   5.143 -24.170  1.00  1.00           H
-ATOM    834  CB  TYR    56      -8.001   7.194 -23.678  1.00  1.00           C
-ATOM    835  CG  TYR    56      -8.576   7.772 -24.973  1.00  1.00           C
-ATOM    836  CD1 TYR    56      -8.588   7.008 -26.123  1.00  1.00           C
-ATOM    837  CD2 TYR    56      -9.083   9.054 -24.991  1.00  1.00           C
-ATOM    838  CE1 TYR    56      -9.128   7.551 -27.342  1.00  1.00           C
-ATOM    839  CE2 TYR    56      -9.625   9.597 -26.209  1.00  1.00           C
-ATOM    840  CZ  TYR    56      -9.621   8.819 -27.325  1.00  1.00           C
-ATOM    841  OH  TYR    56     -10.133   9.333 -28.476  1.00  1.00           O
-ATOM    844  HB2 TYR    56      -8.211   7.883 -22.860  1.00  1.00           H
-ATOM    845  HB3 TYR    56      -6.916   7.133 -23.771  1.00  1.00           H
-ATOM    846  HD1 TYR    56      -8.186   5.995 -26.109  1.00  1.00           H
-ATOM    847  HD2 TYR    56      -9.074   9.657 -24.083  1.00  1.00           H
-ATOM    848  HE1 TYR    56      -9.143   6.959 -28.258  1.00  1.00           H
-ATOM    849  HE2 TYR    56     -10.030  10.609 -26.237  1.00  1.00           H
-ATOM    850  HH  TYR    56     -10.330   8.594 -29.121  1.00  1.00           H
-ATOM    851  N   HIS    57      -6.962   4.100 -22.712  1.00  1.00           N
-ATOM    852  CA  HIS    57      -6.047   3.384 -21.838  1.00  1.00           C
-ATOM    853  C   HIS    57      -4.634   3.439 -22.420  1.00  1.00           C
-ATOM    854  O   HIS    57      -4.240   2.563 -23.189  1.00  1.00           O
-ATOM    861  H   HIS    57      -7.044   3.726 -23.635  1.00  1.00           H
-ATOM    862  HA  HIS    57      -6.058   3.906 -20.881  1.00  1.00           H
-ATOM    855  CB  HIS    57      -6.535   1.954 -21.597  1.00  1.00           C
-ATOM    856  CG  HIS    57      -7.546   1.830 -20.482  1.00  1.00           C
-ATOM    857  ND1 HIS    57      -8.910   1.776 -20.710  1.00  1.00           N
-ATOM    858  CD2 HIS    57      -7.377   1.750 -19.131  1.00  1.00           C
-ATOM    859  CE1 HIS    57      -9.525   1.668 -19.541  1.00  1.00           C
-ATOM    860  NE2 HIS    57      -8.574   1.652 -18.565  1.00  1.00           N
-ATOM    863  HB2 HIS    57      -6.974   1.571 -22.517  1.00  1.00           H
-ATOM    864  HB3 HIS    57      -5.676   1.323 -21.367  1.00  1.00           H
-ATOM    865  HD1 HIS    57      -9.355   1.812 -21.605  1.00  1.00           H
-ATOM    866  HD2 HIS    57      -6.422   1.762 -18.606  1.00  1.00           H
-ATOM    867  HE1 HIS    57     -10.603   1.603 -19.388  1.00  1.00           H
-ATOM    868  N   TYR    58      -3.908   4.477 -22.030  1.00  1.00           N
-ATOM    869  CA  TYR    58      -2.545   4.656 -22.504  1.00  1.00           C
-ATOM    870  C   TYR    58      -1.550   4.600 -21.343  1.00  1.00           C
-ATOM    871  O   TYR    58      -1.662   5.362 -20.386  1.00  1.00           O
-ATOM    880  H   TYR    58      -4.234   5.184 -21.405  1.00  1.00           H
-ATOM    881  HA  TYR    58      -2.323   3.852 -23.203  1.00  1.00           H
-ATOM    872  CB  TYR    58      -2.498   6.051 -23.132  1.00  1.00           C
-ATOM    873  CG  TYR    58      -2.438   6.043 -24.660  1.00  1.00           C
-ATOM    874  CD1 TYR    58      -3.399   5.368 -25.384  1.00  1.00           C
-ATOM    875  CD2 TYR    58      -1.424   6.712 -25.314  1.00  1.00           C
-ATOM    876  CE1 TYR    58      -3.342   5.360 -26.823  1.00  1.00           C
-ATOM    877  CE2 TYR    58      -1.367   6.704 -26.753  1.00  1.00           C
-ATOM    878  CZ  TYR    58      -2.330   6.029 -27.436  1.00  1.00           C
-ATOM    879  OH  TYR    58      -2.276   6.022 -28.796  1.00  1.00           O
-ATOM    882  HB2 TYR    58      -3.380   6.611 -22.816  1.00  1.00           H
-ATOM    883  HB3 TYR    58      -1.628   6.582 -22.747  1.00  1.00           H
-ATOM    884  HD1 TYR    58      -4.199   4.839 -24.868  1.00  1.00           H
-ATOM    885  HD2 TYR    58      -0.665   7.246 -24.742  1.00  1.00           H
-ATOM    886  HE1 TYR    58      -4.095   4.830 -27.408  1.00  1.00           H
-ATOM    887  HE2 TYR    58      -0.571   7.228 -27.283  1.00  1.00           H
-ATOM    888  HH  TYR    58      -3.073   6.495 -29.171  1.00  1.00           H
-ATOM    889  N   ARG    59      -0.597   3.686 -21.467  1.00  1.00           N
-ATOM    890  CA  ARG    59       0.417   3.518 -20.440  1.00  1.00           C
-ATOM    891  C   ARG    59       1.090   4.859 -20.136  1.00  1.00           C
-ATOM    892  O   ARG    59       0.913   5.828 -20.873  1.00  1.00           O
-ATOM    900  H   ARG    59      -0.513   3.069 -22.249  1.00  1.00           H
-ATOM    901  HA  ARG    59      -0.124   3.144 -19.572  1.00  1.00           H
-ATOM    893  CB  ARG    59       1.481   2.510 -20.878  1.00  1.00           C
-ATOM    894  CG  ARG    59       1.913   2.759 -22.324  1.00  1.00           C
-ATOM    895  CD  ARG    59       1.815   1.478 -23.154  1.00  1.00           C
-ATOM    896  NE  ARG    59       2.739   1.551 -24.309  1.00  1.00           N
-ATOM    897  CZ  ARG    59       2.487   2.237 -25.430  1.00  1.00           C
-ATOM    898  NH1 ARG    59       1.339   2.915 -25.558  1.00  1.00           N
-ATOM    899  NH2 ARG    59       3.386   2.246 -26.426  1.00  1.00           N
-ATOM    902  HB2 ARG    59       2.346   2.579 -20.219  1.00  1.00           H
-ATOM    903  HB3 ARG    59       1.089   1.496 -20.781  1.00  1.00           H
-ATOM    904  HG2 ARG    59       1.285   3.533 -22.766  1.00  1.00           H
-ATOM    905  HG3 ARG    59       2.938   3.130 -22.342  1.00  1.00           H
-ATOM    906  HD2 ARG    59       2.059   0.614 -22.536  1.00  1.00           H
-ATOM    907  HD3 ARG    59       0.793   1.339 -23.506  1.00  1.00           H
-ATOM    908  HE  ARG    59       3.606   1.056 -24.245  1.00  1.00           H
-ATOM    909 HH11 ARG    59       0.669   2.907 -24.815  1.00  1.00           H
-ATOM    910 HH12 ARG    59       1.150   3.428 -26.397  1.00  1.00           H
-ATOM    911 HH21 ARG    59       4.243   1.742 -26.331  1.00  1.00           H
-ATOM    912 HH22 ARG    59       3.197   2.760 -27.264  1.00  1.00           H
-ATOM    913  N   ILE    60       1.847   4.870 -19.049  1.00  1.00           N
-ATOM    914  CA  ILE    60       2.547   6.076 -18.638  1.00  1.00           C
-ATOM    915  C   ILE    60       3.679   6.365 -19.625  1.00  1.00           C
-ATOM    916  O   ILE    60       3.439   6.521 -20.821  1.00  1.00           O
-ATOM    921  H   ILE    60       1.985   4.078 -18.455  1.00  1.00           H
-ATOM    922  HA  ILE    60       1.834   6.898 -18.679  1.00  1.00           H
-ATOM    917  CB  ILE    60       3.013   5.955 -17.186  1.00  1.00           C
-ATOM    918  CG1 ILE    60       1.870   5.494 -16.278  1.00  1.00           C
-ATOM    919  CG2 ILE    60       3.638   7.264 -16.699  1.00  1.00           C
-ATOM    920  CD1 ILE    60       1.015   6.681 -15.829  1.00  1.00           C
-ATOM    923  HB  ILE    60       3.789   5.190 -17.138  1.00  1.00           H
-ATOM    924 HG12 ILE    60       1.247   4.774 -16.810  1.00  1.00           H
-ATOM    925 HG13 ILE    60       2.276   4.983 -15.406  1.00  1.00           H
-ATOM    926 HG21 ILE    60       3.551   8.020 -17.480  1.00  1.00           H
-ATOM    927 HG22 ILE    60       3.119   7.605 -15.804  1.00  1.00           H
-ATOM    928 HG23 ILE    60       4.691   7.100 -16.469  1.00  1.00           H
-ATOM    929 HD11 ILE    60       1.008   7.440 -16.610  1.00  1.00           H
-ATOM    930 HD12 ILE    60      -0.004   6.344 -15.639  1.00  1.00           H
-ATOM    931 HD13 ILE    60       1.434   7.104 -14.915  1.00  1.00           H
-ATOM    932  N   ASN    61       4.889   6.426 -19.088  1.00  1.00           N
-ATOM    933  CA  ASN    61       6.058   6.692 -19.907  1.00  1.00           C
-ATOM    934  C   ASN    61       7.251   7.002 -19.000  1.00  1.00           C
-ATOM    935  O   ASN    61       7.215   7.956 -18.224  1.00  1.00           O
-ATOM    940  H   ASN    61       5.075   6.296 -18.115  1.00  1.00           H
-ATOM    941  HA  ASN    61       6.207   5.790 -20.499  1.00  1.00           H
-ATOM    936  CB  ASN    61       5.830   7.902 -20.815  1.00  1.00           C
-ATOM    937  CG  ASN    61       7.106   8.262 -21.581  1.00  1.00           C
-ATOM    938  OD1 ASN    61       8.208   7.903 -21.206  1.00  1.00           O
-ATOM    939  ND2 ASN    61       6.893   8.990 -22.674  1.00  1.00           N
-ATOM    942  HB2 ASN    61       5.026   7.686 -21.520  1.00  1.00           H
-ATOM    943  HB3 ASN    61       5.509   8.756 -20.217  1.00  1.00           H
-ATOM    944 HD21 ASN    61       5.961   9.252 -22.928  1.00  1.00           H
-ATOM    945 HD22 ASN    61       7.664   9.275 -23.243  1.00  1.00           H
-ATOM    946  N   THR    62       8.280   6.178 -19.128  1.00  1.00           N
-ATOM    947  CA  THR    62       9.482   6.350 -18.329  1.00  1.00           C
-ATOM    948  C   THR    62      10.654   6.780 -19.215  1.00  1.00           C
-ATOM    949  O   THR    62      10.759   6.350 -20.363  1.00  1.00           O
-ATOM    953  H   THR    62       8.302   5.405 -19.763  1.00  1.00           H
-ATOM    954  HA  THR    62       9.308   7.156 -17.617  1.00  1.00           H
-ATOM    950  CB  THR    62       9.738   5.046 -17.572  1.00  1.00           C
-ATOM    951  OG1 THR    62       8.475   4.723 -16.998  1.00  1.00           O
-ATOM    952  CG2 THR    62      10.658   5.241 -16.364  1.00  1.00           C
-ATOM    955  HB  THR    62      10.131   4.279 -18.241  1.00  1.00           H
-ATOM    956  HG1 THR    62       7.922   5.552 -16.900  1.00  1.00           H
-ATOM    957 HG21 THR    62      10.393   6.166 -15.851  1.00  1.00           H
-ATOM    958 HG22 THR    62      10.543   4.399 -15.682  1.00  1.00           H
-ATOM    959 HG23 THR    62      11.693   5.297 -16.701  1.00  1.00           H
-ATOM    960  N   ALA    63      11.505   7.622 -18.647  1.00  1.00           N
-ATOM    961  CA  ALA    63      12.665   8.114 -19.371  1.00  1.00           C
-ATOM    962  C   ALA    63      13.800   7.094 -19.260  1.00  1.00           C
-ATOM    963  O   ALA    63      14.919   7.443 -18.884  1.00  1.00           O
-ATOM    965  H   ALA    63      11.413   7.967 -17.713  1.00  1.00           H
-ATOM    966  HA  ALA    63      12.383   8.219 -20.419  1.00  1.00           H
-ATOM    964  CB  ALA    63      13.061   9.488 -18.827  1.00  1.00           C
-ATOM    967  HB1 ALA    63      12.190  10.144 -18.832  1.00  1.00           H
-ATOM    968  HB2 ALA    63      13.431   9.383 -17.808  1.00  1.00           H
-ATOM    969  HB3 ALA    63      13.843   9.916 -19.455  1.00  1.00           H
-ATOM    970  N   SER    64      13.473   5.854 -19.593  1.00  1.00           N
-ATOM    971  CA  SER    64      14.453   4.781 -19.535  1.00  1.00           C
-ATOM    972  C   SER    64      15.376   4.980 -18.333  1.00  1.00           C
-ATOM    973  O   SER    64      16.554   4.627 -18.386  1.00  1.00           O
-ATOM    976  H   SER    64      12.562   5.579 -19.897  1.00  1.00           H
-ATOM    977  HA  SER    64      13.870   3.866 -19.423  1.00  1.00           H
-ATOM    974  CB  SER    64      15.268   4.710 -20.828  1.00  1.00           C
-ATOM    975  OG  SER    64      16.200   5.784 -20.930  1.00  1.00           O
-ATOM    978  HB2 SER    64      15.803   3.761 -20.867  1.00  1.00           H
-ATOM    979  HB3 SER    64      14.595   4.732 -21.684  1.00  1.00           H
-ATOM    980  HG  SER    64      16.122   6.382 -20.132  1.00  1.00           H
-ATOM    981  N   ASP    65      14.810   5.546 -17.278  1.00  1.00           N
-ATOM    982  CA  ASP    65      15.569   5.795 -16.064  1.00  1.00           C
-ATOM    983  C   ASP    65      14.707   5.447 -14.849  1.00  1.00           C
-ATOM    984  O   ASP    65      15.104   4.632 -14.017  1.00  1.00           O
-ATOM    989  H   ASP    65      13.852   5.831 -17.243  1.00  1.00           H
-ATOM    990  HA  ASP    65      16.453   5.165 -16.144  1.00  1.00           H
-ATOM    985  CB  ASP    65      15.964   7.270 -15.956  1.00  1.00           C
-ATOM    986  CG  ASP    65      16.896   7.605 -14.790  1.00  1.00           C
-ATOM    987  OD1 ASP    65      16.359   7.860 -13.690  1.00  1.00           O
-ATOM    988  OD2 ASP    65      18.123   7.601 -15.025  1.00  1.00           O
-ATOM    991  HB2 ASP    65      16.447   7.570 -16.886  1.00  1.00           H
-ATOM    992  HB3 ASP    65      15.057   7.868 -15.860  1.00  1.00           H
-ATOM    993  N   GLY    66      13.546   6.081 -14.785  1.00  1.00           N
-ATOM    994  CA  GLY    66      12.626   5.847 -13.684  1.00  1.00           C
-ATOM    995  C   GLY    66      11.482   6.862 -13.700  1.00  1.00           C
-ATOM    996  O   GLY    66      10.311   6.486 -13.692  1.00  1.00           O
-ATOM    997  H   GLY    66      13.230   6.742 -15.466  1.00  1.00           H
-ATOM    998  HA2 GLY    66      12.221   4.838 -13.752  1.00  1.00           H
-ATOM    999  HA3 GLY    66      13.162   5.912 -12.737  1.00  1.00           H
-ATOM   1000  N   LYS    67      11.862   8.132 -13.723  1.00  1.00           N
-ATOM   1001  CA  LYS    67      10.883   9.207 -13.741  1.00  1.00           C
-ATOM   1002  C   LYS    67       9.820   8.904 -14.798  1.00  1.00           C
-ATOM   1003  O   LYS    67      10.118   8.309 -15.832  1.00  1.00           O
-ATOM   1009  H   LYS    67      12.816   8.431 -13.730  1.00  1.00           H
-ATOM   1010  HA  LYS    67      10.403   9.226 -12.762  1.00  1.00           H
-ATOM   1004  CB  LYS    67      11.573  10.558 -13.932  1.00  1.00           C
-ATOM   1005  CG  LYS    67      12.810  10.419 -14.821  1.00  1.00           C
-ATOM   1006  CD  LYS    67      14.089  10.394 -13.981  1.00  1.00           C
-ATOM   1007  CE  LYS    67      14.823  11.735 -14.057  1.00  1.00           C
-ATOM   1008  NZ  LYS    67      15.462  11.903 -15.381  1.00  1.00           N
-ATOM   1011  HB2 LYS    67      10.876  11.266 -14.379  1.00  1.00           H
-ATOM   1012  HB3 LYS    67      11.860  10.964 -12.962  1.00  1.00           H
-ATOM   1013  HG2 LYS    67      12.740   9.506 -15.411  1.00  1.00           H
-ATOM   1014  HG3 LYS    67      12.852  11.251 -15.526  1.00  1.00           H
-ATOM   1015  HD2 LYS    67      13.843  10.168 -12.944  1.00  1.00           H
-ATOM   1016  HD3 LYS    67      14.745   9.598 -14.333  1.00  1.00           H
-ATOM   1017  HE2 LYS    67      14.121  12.550 -13.879  1.00  1.00           H
-ATOM   1018  HE3 LYS    67      15.577  11.787 -13.273  1.00  1.00           H
-ATOM   1019  HZ1 LYS    67      14.782  11.757 -16.100  1.00  1.00           H
-ATOM   1020  HZ2 LYS    67      15.834  12.827 -15.457  1.00  1.00           H
-ATOM   1021  HZ3 LYS    67      16.200  11.236 -15.481  1.00  1.00           H
-ATOM   1022  N   LEU    68       8.600   9.327 -14.502  1.00  1.00           N
-ATOM   1023  CA  LEU    68       7.489   9.110 -15.414  1.00  1.00           C
-ATOM   1024  C   LEU    68       7.168  10.417 -16.142  1.00  1.00           C
-ATOM   1025  O   LEU    68       6.671  11.364 -15.534  1.00  1.00           O
-ATOM   1030  H   LEU    68       8.365   9.811 -13.659  1.00  1.00           H
-ATOM   1031  HA  LEU    68       7.813   8.373 -16.151  1.00  1.00           H
-ATOM   1026  CB  LEU    68       6.294   8.510 -14.671  1.00  1.00           C
-ATOM   1027  CG  LEU    68       6.469   7.076 -14.164  1.00  1.00           C
-ATOM   1028  CD1 LEU    68       7.483   7.019 -13.019  1.00  1.00           C
-ATOM   1029  CD2 LEU    68       5.124   6.466 -13.769  1.00  1.00           C
-ATOM   1032  HB2 LEU    68       6.063   9.149 -13.819  1.00  1.00           H
-ATOM   1033  HB3 LEU    68       5.429   8.536 -15.333  1.00  1.00           H
-ATOM   1034  HG  LEU    68       6.871   6.473 -14.979  1.00  1.00           H
-ATOM   1035 HD11 LEU    68       8.432   7.443 -13.351  1.00  1.00           H
-ATOM   1036 HD12 LEU    68       7.106   7.593 -12.172  1.00  1.00           H
-ATOM   1037 HD13 LEU    68       7.634   5.984 -12.718  1.00  1.00           H
-ATOM   1038 HD21 LEU    68       4.637   7.104 -13.033  1.00  1.00           H
-ATOM   1039 HD22 LEU    68       4.489   6.381 -14.652  1.00  1.00           H
-ATOM   1040 HD23 LEU    68       5.285   5.475 -13.343  1.00  1.00           H
-ATOM   1041  N   TYR    69       7.466  10.427 -17.433  1.00  1.00           N
-ATOM   1042  CA  TYR    69       7.215  11.602 -18.249  1.00  1.00           C
-ATOM   1043  C   TYR    69       6.376  11.247 -19.478  1.00  1.00           C
-ATOM   1044  O   TYR    69       6.794  10.438 -20.308  1.00  1.00           O
-ATOM   1053  H   TYR    69       7.870   9.652 -17.919  1.00  1.00           H
-ATOM   1054  HA  TYR    69       6.669  12.323 -17.642  1.00  1.00           H
-ATOM   1045  CB  TYR    69       8.588  12.098 -18.709  1.00  1.00           C
-ATOM   1046  CG  TYR    69       9.116  11.392 -19.959  1.00  1.00           C
-ATOM   1047  CD1 TYR    69       9.652  10.125 -19.863  1.00  1.00           C
-ATOM   1048  CD2 TYR    69       9.058  12.026 -21.184  1.00  1.00           C
-ATOM   1049  CE1 TYR    69      10.151   9.462 -21.041  1.00  1.00           C
-ATOM   1050  CE2 TYR    69       9.556  11.362 -22.362  1.00  1.00           C
-ATOM   1051  CZ  TYR    69      10.077  10.114 -22.232  1.00  1.00           C
-ATOM   1052  OH  TYR    69      10.547   9.487 -23.343  1.00  1.00           O
-ATOM   1055  HB2 TYR    69       8.530  13.167 -18.905  1.00  1.00           H
-ATOM   1056  HB3 TYR    69       9.302  11.959 -17.897  1.00  1.00           H
-ATOM   1057  HD1 TYR    69       9.699   9.625 -18.895  1.00  1.00           H
-ATOM   1058  HD2 TYR    69       8.636  13.027 -21.260  1.00  1.00           H
-ATOM   1059  HE1 TYR    69      10.576   8.461 -20.979  1.00  1.00           H
-ATOM   1060  HE2 TYR    69       9.516  11.851 -23.335  1.00  1.00           H
-ATOM   1061  HH  TYR    69      10.578  10.129 -24.110  1.00  1.00           H
-ATOM   1062  N   VAL    70       5.208  11.868 -19.558  1.00  1.00           N
-ATOM   1063  CA  VAL    70       4.309  11.627 -20.673  1.00  1.00           C
-ATOM   1064  C   VAL    70       4.813  12.382 -21.904  1.00  1.00           C
-ATOM   1065  O   VAL    70       4.588  11.955 -23.035  1.00  1.00           O
-ATOM   1069  H   VAL    70       4.877  12.523 -18.881  1.00  1.00           H
-ATOM   1070  HA  VAL    70       4.325  10.557 -20.885  1.00  1.00           H
-ATOM   1066  CB  VAL    70       2.878  12.008 -20.282  1.00  1.00           C
-ATOM   1067  CG1 VAL    70       1.879  11.549 -21.346  1.00  1.00           C
-ATOM   1068  CG2 VAL    70       2.516  11.440 -18.908  1.00  1.00           C
-ATOM   1071  HB  VAL    70       2.827  13.095 -20.220  1.00  1.00           H
-ATOM   1072 HG11 VAL    70       2.320  11.672 -22.336  1.00  1.00           H
-ATOM   1073 HG12 VAL    70       1.633  10.500 -21.186  1.00  1.00           H
-ATOM   1074 HG13 VAL    70       0.972  12.150 -21.275  1.00  1.00           H
-ATOM   1075 HG21 VAL    70       3.416  11.060 -18.424  1.00  1.00           H
-ATOM   1076 HG22 VAL    70       2.077  12.227 -18.295  1.00  1.00           H
-ATOM   1077 HG23 VAL    70       1.798  10.629 -19.028  1.00  1.00           H
-ATOM   1078  N   SER    71       5.484  13.494 -21.642  1.00  1.00           N
-ATOM   1079  CA  SER    71       6.023  14.313 -22.713  1.00  1.00           C
-ATOM   1080  C   SER    71       7.553  14.340 -22.636  1.00  1.00           C
-ATOM   1081  O   SER    71       8.224  13.557 -23.306  1.00  1.00           O
-ATOM   1084  H   SER    71       5.664  13.835 -20.718  1.00  1.00           H
-ATOM   1085  HA  SER    71       5.696  13.833 -23.636  1.00  1.00           H
-ATOM   1082  CB  SER    71       5.465  15.737 -22.653  1.00  1.00           C
-ATOM   1083  OG  SER    71       5.971  16.554 -23.706  1.00  1.00           O
-ATOM   1086  HB2 SER    71       4.377  15.701 -22.711  1.00  1.00           H
-ATOM   1087  HB3 SER    71       5.718  16.185 -21.693  1.00  1.00           H
-ATOM   1088  HG  SER    71       5.820  17.518 -23.492  1.00  1.00           H
-ATOM   1089  N   SER    72       8.055  15.247 -21.812  1.00  1.00           N
-ATOM   1090  CA  SER    72       9.491  15.385 -21.637  1.00  1.00           C
-ATOM   1091  C   SER    72       9.794  16.557 -20.703  1.00  1.00           C
-ATOM   1092  O   SER    72      10.546  16.411 -19.741  1.00  1.00           O
-ATOM   1095  H   SER    72       7.501  15.878 -21.270  1.00  1.00           H
-ATOM   1096  HA  SER    72       9.820  14.446 -21.191  1.00  1.00           H
-ATOM   1093  CB  SER    72      10.193  15.582 -22.982  1.00  1.00           C
-ATOM   1094  OG  SER    72      11.076  14.505 -23.287  1.00  1.00           O
-ATOM   1097  HB2 SER    72       9.445  15.672 -23.771  1.00  1.00           H
-ATOM   1098  HB3 SER    72      10.753  16.516 -22.966  1.00  1.00           H
-ATOM   1099  HG  SER    72      12.021  14.777 -23.107  1.00  1.00           H
-ATOM   1100  N   GLU    73       9.192  17.695 -21.019  1.00  1.00           N
-ATOM   1101  CA  GLU    73       9.389  18.892 -20.220  1.00  1.00           C
-ATOM   1102  C   GLU    73       8.522  18.838 -18.960  1.00  1.00           C
-ATOM   1103  O   GLU    73       8.560  19.752 -18.137  1.00  1.00           O
-ATOM   1109  H   GLU    73       8.582  17.805 -21.803  1.00  1.00           H
-ATOM   1110  HA  GLU    73      10.444  18.887 -19.944  1.00  1.00           H
-ATOM   1104  CB  GLU    73       9.091  20.152 -21.037  1.00  1.00           C
-ATOM   1105  CG  GLU    73       7.881  20.898 -20.471  1.00  1.00           C
-ATOM   1106  CD  GLU    73       7.385  21.961 -21.454  1.00  1.00           C
-ATOM   1107  OE1 GLU    73       8.224  22.792 -21.862  1.00  1.00           O
-ATOM   1108  OE2 GLU    73       6.178  21.918 -21.776  1.00  1.00           O
-ATOM   1111  HB2 GLU    73       9.962  20.807 -21.031  1.00  1.00           H
-ATOM   1112  HB3 GLU    73       8.903  19.879 -22.075  1.00  1.00           H
-ATOM   1113  HG2 GLU    73       7.080  20.190 -20.261  1.00  1.00           H
-ATOM   1114  HG3 GLU    73       8.148  21.368 -19.526  1.00  1.00           H
-ATOM   1115  N   SER    74       7.764  17.758 -18.849  1.00  1.00           N
-ATOM   1116  CA  SER    74       6.889  17.573 -17.704  1.00  1.00           C
-ATOM   1117  C   SER    74       7.071  16.166 -17.129  1.00  1.00           C
-ATOM   1118  O   SER    74       6.161  15.341 -17.200  1.00  1.00           O
-ATOM   1121  H   SER    74       7.739  17.019 -19.522  1.00  1.00           H
-ATOM   1122  HA  SER    74       7.200  18.324 -16.979  1.00  1.00           H
-ATOM   1119  CB  SER    74       5.426  17.807 -18.084  1.00  1.00           C
-ATOM   1120  OG  SER    74       5.272  18.923 -18.955  1.00  1.00           O
-ATOM   1123  HB2 SER    74       5.029  16.913 -18.567  1.00  1.00           H
-ATOM   1124  HB3 SER    74       4.838  17.967 -17.181  1.00  1.00           H
-ATOM   1125  HG  SER    74       5.657  19.744 -18.531  1.00  1.00           H
-ATOM   1126  N   ARG    75       8.250  15.936 -16.573  1.00  1.00           N
-ATOM   1127  CA  ARG    75       8.563  14.644 -15.986  1.00  1.00           C
-ATOM   1128  C   ARG    75       8.119  14.604 -14.522  1.00  1.00           C
-ATOM   1129  O   ARG    75       8.158  15.620 -13.831  1.00  1.00           O
-ATOM   1137  H   ARG    75       8.985  16.613 -16.518  1.00  1.00           H
-ATOM   1138  HA  ARG    75       8.004  13.924 -16.585  1.00  1.00           H
-ATOM   1130  CB  ARG    75      10.062  14.350 -16.066  1.00  1.00           C
-ATOM   1131  CG  ARG    75      10.777  15.381 -16.940  1.00  1.00           C
-ATOM   1132  CD  ARG    75      12.089  14.819 -17.491  1.00  1.00           C
-ATOM   1133  NE  ARG    75      12.859  15.892 -18.159  1.00  1.00           N
-ATOM   1134  CZ  ARG    75      14.190  15.873 -18.317  1.00  1.00           C
-ATOM   1135  NH1 ARG    75      14.905  14.838 -17.858  1.00  1.00           N
-ATOM   1136  NH2 ARG    75      14.805  16.891 -18.935  1.00  1.00           N
-ATOM   1139  HB2 ARG    75      10.492  14.358 -15.065  1.00  1.00           H
-ATOM   1140  HB3 ARG    75      10.219  13.351 -16.473  1.00  1.00           H
-ATOM   1141  HG2 ARG    75      10.128  15.675 -17.767  1.00  1.00           H
-ATOM   1142  HG3 ARG    75      10.978  16.280 -16.358  1.00  1.00           H
-ATOM   1143  HD2 ARG    75      12.676  14.388 -16.681  1.00  1.00           H
-ATOM   1144  HD3 ARG    75      11.881  14.016 -18.197  1.00  1.00           H
-ATOM   1145  HE  ARG    75      12.356  16.680 -18.513  1.00  1.00           H
-ATOM   1146 HH11 ARG    75      14.446  14.078 -17.396  1.00  1.00           H
-ATOM   1147 HH12 ARG    75      15.898  14.825 -17.976  1.00  1.00           H
-ATOM   1148 HH21 ARG    75      14.271  17.665 -19.277  1.00  1.00           H
-ATOM   1149 HH22 ARG    75      15.798  16.879 -19.054  1.00  1.00           H
-ATOM   1150  N   PHE    76       7.708  13.419 -14.094  1.00  1.00           N
-ATOM   1151  CA  PHE    76       7.256  13.234 -12.725  1.00  1.00           C
-ATOM   1152  C   PHE    76       7.812  11.936 -12.136  1.00  1.00           C
-ATOM   1153  O   PHE    76       8.344  11.098 -12.863  1.00  1.00           O
-ATOM   1161  H   PHE    76       7.678  12.598 -14.663  1.00  1.00           H
-ATOM   1162  HA  PHE    76       7.626  14.080 -12.145  1.00  1.00           H
-ATOM   1154  CB  PHE    76       5.729  13.151 -12.764  1.00  1.00           C
-ATOM   1155  CG  PHE    76       5.069  14.233 -13.621  1.00  1.00           C
-ATOM   1156  CD1 PHE    76       4.868  15.478 -13.110  1.00  1.00           C
-ATOM   1157  CD2 PHE    76       4.683  13.950 -14.895  1.00  1.00           C
-ATOM   1158  CE1 PHE    76       4.255  16.482 -13.906  1.00  1.00           C
-ATOM   1159  CE2 PHE    76       4.070  14.954 -15.690  1.00  1.00           C
-ATOM   1160  CZ  PHE    76       3.869  16.199 -15.179  1.00  1.00           C
-ATOM   1163  HB2 PHE    76       5.438  12.172 -13.145  1.00  1.00           H
-ATOM   1164  HB3 PHE    76       5.346  13.224 -11.746  1.00  1.00           H
-ATOM   1165  HD1 PHE    76       5.177  15.704 -12.090  1.00  1.00           H
-ATOM   1166  HD2 PHE    76       4.844  12.953 -15.304  1.00  1.00           H
-ATOM   1167  HE1 PHE    76       4.094  17.478 -13.496  1.00  1.00           H
-ATOM   1168  HE2 PHE    76       3.761  14.727 -16.711  1.00  1.00           H
-ATOM   1169  HZ  PHE    76       3.398  16.969 -15.790  1.00  1.00           H
-ATOM   1170  N   ASN    77       7.667  11.808 -10.826  1.00  1.00           N
-ATOM   1171  CA  ASN    77       8.147  10.626 -10.131  1.00  1.00           C
-ATOM   1172  C   ASN    77       6.954   9.763  -9.719  1.00  1.00           C
-ATOM   1173  O   ASN    77       7.047   8.536  -9.699  1.00  1.00           O
-ATOM   1178  H   ASN    77       7.233  12.494 -10.242  1.00  1.00           H
-ATOM   1179  HA  ASN    77       8.801  10.122 -10.843  1.00  1.00           H
-ATOM   1174  CB  ASN    77       8.916  11.006  -8.865  1.00  1.00           C
-ATOM   1175  CG  ASN    77      10.394  11.257  -9.175  1.00  1.00           C
-ATOM   1176  OD1 ASN    77      11.040  10.509  -9.892  1.00  1.00           O
-ATOM   1177  ND2 ASN    77      10.889  12.347  -8.598  1.00  1.00           N
-ATOM   1180  HB2 ASN    77       8.478  11.900  -8.422  1.00  1.00           H
-ATOM   1181  HB3 ASN    77       8.828  10.207  -8.127  1.00  1.00           H
-ATOM   1182 HD21 ASN    77      10.306  12.918  -8.022  1.00  1.00           H
-ATOM   1183 HD22 ASN    77      11.848  12.597  -8.741  1.00  1.00           H
-ATOM   1184  N   THR    78       5.858  10.438  -9.399  1.00  1.00           N
-ATOM   1185  CA  THR    78       4.648   9.747  -8.986  1.00  1.00           C
-ATOM   1186  C   THR    78       3.487  10.106  -9.916  1.00  1.00           C
-ATOM   1187  O   THR    78       3.457  11.198 -10.484  1.00  1.00           O
-ATOM   1191  H   THR    78       5.790  11.434  -9.417  1.00  1.00           H
-ATOM   1192  HA  THR    78       4.814   8.674  -9.084  1.00  1.00           H
-ATOM   1188  CB  THR    78       4.383  10.092  -7.520  1.00  1.00           C
-ATOM   1189  OG1 THR    78       4.656  11.487  -7.437  1.00  1.00           O
-ATOM   1190  CG2 THR    78       5.402   9.455  -6.574  1.00  1.00           C
-ATOM   1193  HB  THR    78       3.365   9.823  -7.235  1.00  1.00           H
-ATOM   1194  HG1 THR    78       4.031  11.996  -8.029  1.00  1.00           H
-ATOM   1195 HG21 THR    78       6.103   8.849  -7.150  1.00  1.00           H
-ATOM   1196 HG22 THR    78       5.948  10.237  -6.047  1.00  1.00           H
-ATOM   1197 HG23 THR    78       4.884   8.823  -5.853  1.00  1.00           H
-ATOM   1198  N   LEU    79       2.559   9.169 -10.042  1.00  1.00           N
-ATOM   1199  CA  LEU    79       1.399   9.375 -10.891  1.00  1.00           C
-ATOM   1200  C   LEU    79       0.731  10.701 -10.525  1.00  1.00           C
-ATOM   1201  O   LEU    79       0.467  11.529 -11.394  1.00  1.00           O
-ATOM   1206  H   LEU    79       2.591   8.286  -9.575  1.00  1.00           H
-ATOM   1207  HA  LEU    79       1.754   9.440 -11.919  1.00  1.00           H
-ATOM   1202  CB  LEU    79       0.458   8.171 -10.813  1.00  1.00           C
-ATOM   1203  CG  LEU    79       0.123   7.671  -9.407  1.00  1.00           C
-ATOM   1204  CD1 LEU    79      -1.360   7.882  -9.090  1.00  1.00           C
-ATOM   1205  CD2 LEU    79       0.544   6.211  -9.228  1.00  1.00           C
-ATOM   1208  HB2 LEU    79      -0.473   8.429 -11.318  1.00  1.00           H
-ATOM   1209  HB3 LEU    79       0.906   7.348 -11.373  1.00  1.00           H
-ATOM   1210  HG  LEU    79       0.692   8.262  -8.690  1.00  1.00           H
-ATOM   1211 HD11 LEU    79      -1.912   8.030 -10.017  1.00  1.00           H
-ATOM   1212 HD12 LEU    79      -1.748   7.007  -8.569  1.00  1.00           H
-ATOM   1213 HD13 LEU    79      -1.473   8.761  -8.455  1.00  1.00           H
-ATOM   1214 HD21 LEU    79       0.625   5.734 -10.204  1.00  1.00           H
-ATOM   1215 HD22 LEU    79       1.510   6.173  -8.724  1.00  1.00           H
-ATOM   1216 HD23 LEU    79      -0.200   5.688  -8.629  1.00  1.00           H
-ATOM   1217  N   ALA    80       0.477  10.863  -9.235  1.00  1.00           N
-ATOM   1218  CA  ALA    80      -0.155  12.074  -8.742  1.00  1.00           C
-ATOM   1219  C   ALA    80       0.489  13.289  -9.412  1.00  1.00           C
-ATOM   1220  O   ALA    80      -0.177  14.028 -10.136  1.00  1.00           O
-ATOM   1222  H   ALA    80       0.694  10.184  -8.532  1.00  1.00           H
-ATOM   1223  HA  ALA    80      -1.209  12.034  -9.016  1.00  1.00           H
-ATOM   1221  CB  ALA    80      -0.045  12.124  -7.216  1.00  1.00           C
-ATOM   1224  HB1 ALA    80       0.804  11.522  -6.894  1.00  1.00           H
-ATOM   1225  HB2 ALA    80       0.099  13.156  -6.895  1.00  1.00           H
-ATOM   1226  HB3 ALA    80      -0.959  11.730  -6.772  1.00  1.00           H
-ATOM   1227  N   GLU    81       1.776  13.458  -9.148  1.00  1.00           N
-ATOM   1228  CA  GLU    81       2.517  14.571  -9.717  1.00  1.00           C
-ATOM   1229  C   GLU    81       2.224  14.694 -11.215  1.00  1.00           C
-ATOM   1230  O   GLU    81       2.202  15.796 -11.758  1.00  1.00           O
-ATOM   1236  H   GLU    81       2.310  12.853  -8.559  1.00  1.00           H
-ATOM   1237  HA  GLU    81       2.155  15.457  -9.196  1.00  1.00           H
-ATOM   1231  CB  GLU    81       4.018  14.417  -9.463  1.00  1.00           C
-ATOM   1232  CG  GLU    81       4.414  15.039  -8.123  1.00  1.00           C
-ATOM   1233  CD  GLU    81       3.514  14.528  -6.995  1.00  1.00           C
-ATOM   1234  OE1 GLU    81       3.143  13.335  -7.060  1.00  1.00           O
-ATOM   1235  OE2 GLU    81       3.217  15.342  -6.094  1.00  1.00           O
-ATOM   1238  HB2 GLU    81       4.286  13.361  -9.472  1.00  1.00           H
-ATOM   1239  HB3 GLU    81       4.577  14.894 -10.268  1.00  1.00           H
-ATOM   1240  HG2 GLU    81       5.453  14.799  -7.900  1.00  1.00           H
-ATOM   1241  HG3 GLU    81       4.344  16.125  -8.185  1.00  1.00           H
-ATOM   1242  N   LEU    82       2.006  13.545 -11.838  1.00  1.00           N
-ATOM   1243  CA  LEU    82       1.715  13.509 -13.262  1.00  1.00           C
-ATOM   1244  C   LEU    82       0.387  14.223 -13.524  1.00  1.00           C
-ATOM   1245  O   LEU    82       0.320  15.134 -14.347  1.00  1.00           O
-ATOM   1250  H   LEU    82       2.025  12.652 -11.389  1.00  1.00           H
-ATOM   1251  HA  LEU    82       2.508  14.057 -13.770  1.00  1.00           H
-ATOM   1246  CB  LEU    82       1.755  12.071 -13.781  1.00  1.00           C
-ATOM   1247  CG  LEU    82       1.984  11.907 -15.284  1.00  1.00           C
-ATOM   1248  CD1 LEU    82       3.250  11.096 -15.561  1.00  1.00           C
-ATOM   1249  CD2 LEU    82       0.754  11.299 -15.964  1.00  1.00           C
-ATOM   1252  HB2 LEU    82       2.544  11.536 -13.252  1.00  1.00           H
-ATOM   1253  HB3 LEU    82       0.813  11.586 -13.521  1.00  1.00           H
-ATOM   1254  HG  LEU    82       2.134  12.897 -15.717  1.00  1.00           H
-ATOM   1255 HD11 LEU    82       3.964  11.249 -14.751  1.00  1.00           H
-ATOM   1256 HD12 LEU    82       2.998  10.037 -15.627  1.00  1.00           H
-ATOM   1257 HD13 LEU    82       3.694  11.423 -16.501  1.00  1.00           H
-ATOM   1258 HD21 LEU    82      -0.149  11.724 -15.527  1.00  1.00           H
-ATOM   1259 HD22 LEU    82       0.782  11.518 -17.031  1.00  1.00           H
-ATOM   1260 HD23 LEU    82       0.755  10.219 -15.815  1.00  1.00           H
-ATOM   1261  N   VAL    83      -0.636  13.781 -12.808  1.00  1.00           N
-ATOM   1262  CA  VAL    83      -1.959  14.365 -12.953  1.00  1.00           C
-ATOM   1263  C   VAL    83      -1.919  15.824 -12.497  1.00  1.00           C
-ATOM   1264  O   VAL    83      -2.544  16.688 -13.111  1.00  1.00           O
-ATOM   1268  H   VAL    83      -0.574  13.039 -12.140  1.00  1.00           H
-ATOM   1269  HA  VAL    83      -2.217  14.335 -14.012  1.00  1.00           H
-ATOM   1265  CB  VAL    83      -2.987  13.528 -12.192  1.00  1.00           C
-ATOM   1266  CG1 VAL    83      -4.012  14.423 -11.491  1.00  1.00           C
-ATOM   1267  CG2 VAL    83      -3.677  12.527 -13.121  1.00  1.00           C
-ATOM   1270  HB  VAL    83      -2.458  12.963 -11.424  1.00  1.00           H
-ATOM   1271 HG11 VAL    83      -3.606  15.429 -11.389  1.00  1.00           H
-ATOM   1272 HG12 VAL    83      -4.927  14.459 -12.082  1.00  1.00           H
-ATOM   1273 HG13 VAL    83      -4.234  14.018 -10.503  1.00  1.00           H
-ATOM   1274 HG21 VAL    83      -3.781  12.966 -14.113  1.00  1.00           H
-ATOM   1275 HG22 VAL    83      -3.079  11.619 -13.184  1.00  1.00           H
-ATOM   1276 HG23 VAL    83      -4.664  12.285 -12.725  1.00  1.00           H
-ATOM   1277  N   HIS    84      -1.179  16.056 -11.424  1.00  1.00           N
-ATOM   1278  CA  HIS    84      -1.050  17.397 -10.877  1.00  1.00           C
-ATOM   1279  C   HIS    84      -0.779  18.388 -12.010  1.00  1.00           C
-ATOM   1280  O   HIS    84      -1.564  19.309 -12.234  1.00  1.00           O
-ATOM   1287  H   HIS    84      -0.674  15.349 -10.929  1.00  1.00           H
-ATOM   1288  HA  HIS    84      -2.006  17.640 -10.414  1.00  1.00           H
-ATOM   1281  CB  HIS    84       0.021  17.438  -9.785  1.00  1.00           C
-ATOM   1282  CG  HIS    84      -0.516  17.759  -8.411  1.00  1.00           C
-ATOM   1283  ND1 HIS    84      -1.827  17.513  -8.042  1.00  1.00           N
-ATOM   1284  CD2 HIS    84       0.095  18.307  -7.321  1.00  1.00           C
-ATOM   1285  CE1 HIS    84      -1.987  17.901  -6.785  1.00  1.00           C
-ATOM   1286  NE2 HIS    84      -0.795  18.394  -6.341  1.00  1.00           N
-ATOM   1289  HB2 HIS    84       0.526  16.473  -9.750  1.00  1.00           H
-ATOM   1290  HB3 HIS    84       0.772  18.180 -10.054  1.00  1.00           H
-ATOM   1291  HD1 HIS    84      -2.534  17.111  -8.624  1.00  1.00           H
-ATOM   1292  HD2 HIS    84       1.137  18.622  -7.266  1.00  1.00           H
-ATOM   1293  HE1 HIS    84      -2.910  17.838  -6.207  1.00  1.00           H
-ATOM   1294  N   HIS    85       0.333  18.166 -12.695  1.00  1.00           N
-ATOM   1295  CA  HIS    85       0.716  19.029 -13.800  1.00  1.00           C
-ATOM   1296  C   HIS    85      -0.310  18.905 -14.927  1.00  1.00           C
-ATOM   1297  O   HIS    85      -0.779  19.911 -15.458  1.00  1.00           O
-ATOM   1304  H   HIS    85       0.965  17.414 -12.507  1.00  1.00           H
-ATOM   1305  HA  HIS    85       0.704  20.050 -13.418  1.00  1.00           H
-ATOM   1298  CB  HIS    85       2.143  18.720 -14.260  1.00  1.00           C
-ATOM   1299  CG  HIS    85       2.489  19.293 -15.613  1.00  1.00           C
-ATOM   1300  ND1 HIS    85       2.923  20.596 -15.788  1.00  1.00           N
-ATOM   1301  CD2 HIS    85       2.462  18.726 -16.854  1.00  1.00           C
-ATOM   1302  CE1 HIS    85       3.143  20.793 -17.079  1.00  1.00           C
-ATOM   1303  NE2 HIS    85       2.857  19.635 -17.739  1.00  1.00           N
-ATOM   1306  HB2 HIS    85       2.844  19.110 -13.521  1.00  1.00           H
-ATOM   1307  HB3 HIS    85       2.279  17.640 -14.287  1.00  1.00           H
-ATOM   1308  HD1 HIS    85       3.049  21.272 -15.062  1.00  1.00           H
-ATOM   1309  HD2 HIS    85       2.167  17.702 -17.080  1.00  1.00           H
-ATOM   1310  HE1 HIS    85       3.491  21.721 -17.534  1.00  1.00           H
-ATOM   1311  N   HIS    86      -0.628  17.663 -15.262  1.00  1.00           N
-ATOM   1312  CA  HIS    86      -1.590  17.394 -16.318  1.00  1.00           C
-ATOM   1313  C   HIS    86      -2.983  17.841 -15.868  1.00  1.00           C
-ATOM   1314  O   HIS    86      -3.976  17.552 -16.533  1.00  1.00           O
-ATOM   1321  H   HIS    86      -0.242  16.850 -14.825  1.00  1.00           H
-ATOM   1322  HA  HIS    86      -1.286  17.992 -17.177  1.00  1.00           H
-ATOM   1315  CB  HIS    86      -1.544  15.923 -16.733  1.00  1.00           C
-ATOM   1316  CG  HIS    86      -0.249  15.511 -17.390  1.00  1.00           C
-ATOM   1317  ND1 HIS    86       0.493  16.366 -18.188  1.00  1.00           N
-ATOM   1318  CD2 HIS    86       0.428  14.327 -17.361  1.00  1.00           C
-ATOM   1319  CE1 HIS    86       1.565  15.715 -18.613  1.00  1.00           C
-ATOM   1320  NE2 HIS    86       1.523  14.451 -18.100  1.00  1.00           N
-ATOM   1323  HB2 HIS    86      -1.707  15.302 -15.852  1.00  1.00           H
-ATOM   1324  HB3 HIS    86      -2.368  15.724 -17.419  1.00  1.00           H
-ATOM   1325  HD1 HIS    86       0.259  17.313 -18.405  1.00  1.00           H
-ATOM   1326  HD2 HIS    86       0.121  13.431 -16.821  1.00  1.00           H
-ATOM   1327  HE1 HIS    86       2.345  16.118 -19.260  1.00  1.00           H
-ATOM   1328  N   SER    87      -3.010  18.539 -14.741  1.00  1.00           N
-ATOM   1329  CA  SER    87      -4.266  19.027 -14.195  1.00  1.00           C
-ATOM   1330  C   SER    87      -4.716  20.276 -14.957  1.00  1.00           C
-ATOM   1331  O   SER    87      -5.899  20.430 -15.257  1.00  1.00           O
-ATOM   1334  H   SER    87      -2.199  18.769 -14.206  1.00  1.00           H
-ATOM   1335  HA  SER    87      -4.978  18.215 -14.336  1.00  1.00           H
-ATOM   1332  CB  SER    87      -4.133  19.336 -12.703  1.00  1.00           C
-ATOM   1333  OG  SER    87      -5.400  19.568 -12.091  1.00  1.00           O
-ATOM   1336  HB2 SER    87      -3.637  18.504 -12.203  1.00  1.00           H
-ATOM   1337  HB3 SER    87      -3.498  20.212 -12.567  1.00  1.00           H
-ATOM   1338  HG  SER    87      -5.922  20.229 -12.629  1.00  1.00           H
-ATOM   1339  N   THR    88      -3.750  21.134 -15.247  1.00  1.00           N
-ATOM   1340  CA  THR    88      -4.033  22.364 -15.966  1.00  1.00           C
-ATOM   1341  C   THR    88      -3.107  22.498 -17.177  1.00  1.00           C
-ATOM   1342  O   THR    88      -3.306  23.370 -18.022  1.00  1.00           O
-ATOM   1346  H   THR    88      -2.791  21.001 -14.998  1.00  1.00           H
-ATOM   1347  HA  THR    88      -5.052  22.312 -16.349  1.00  1.00           H
-ATOM   1343  CB  THR    88      -3.916  23.528 -14.981  1.00  1.00           C
-ATOM   1344  OG1 THR    88      -4.439  24.643 -15.696  1.00  1.00           O
-ATOM   1345  CG2 THR    88      -2.463  23.914 -14.700  1.00  1.00           C
-ATOM   1348  HB  THR    88      -4.446  23.307 -14.054  1.00  1.00           H
-ATOM   1349  HG1 THR    88      -5.394  24.474 -15.945  1.00  1.00           H
-ATOM   1350 HG21 THR    88      -1.942  24.079 -15.644  1.00  1.00           H
-ATOM   1351 HG22 THR    88      -2.437  24.828 -14.107  1.00  1.00           H
-ATOM   1352 HG23 THR    88      -1.973  23.109 -14.150  1.00  1.00           H
-ATOM   1353  N   VAL    89      -2.115  21.620 -17.223  1.00  1.00           N
-ATOM   1354  CA  VAL    89      -1.158  21.630 -18.317  1.00  1.00           C
-ATOM   1355  C   VAL    89      -0.905  20.194 -18.778  1.00  1.00           C
-ATOM   1356  O   VAL    89       0.189  19.662 -18.593  1.00  1.00           O
-ATOM   1360  H   VAL    89      -1.961  20.915 -16.532  1.00  1.00           H
-ATOM   1361  HA  VAL    89      -1.604  22.190 -19.139  1.00  1.00           H
-ATOM   1357  CB  VAL    89       0.120  22.354 -17.887  1.00  1.00           C
-ATOM   1358  CG1 VAL    89       0.062  23.837 -18.260  1.00  1.00           C
-ATOM   1359  CG2 VAL    89       0.374  22.176 -16.388  1.00  1.00           C
-ATOM   1362  HB  VAL    89       0.955  21.905 -18.424  1.00  1.00           H
-ATOM   1363 HG11 VAL    89      -0.816  24.022 -18.880  1.00  1.00           H
-ATOM   1364 HG12 VAL    89       0.000  24.438 -17.354  1.00  1.00           H
-ATOM   1365 HG13 VAL    89       0.961  24.107 -18.815  1.00  1.00           H
-ATOM   1366 HG21 VAL    89      -0.559  22.319 -15.842  1.00  1.00           H
-ATOM   1367 HG22 VAL    89       0.755  21.171 -16.201  1.00  1.00           H
-ATOM   1368 HG23 VAL    89       1.107  22.910 -16.055  1.00  1.00           H
-ATOM   1369  N   ALA    90      -1.933  19.606 -19.373  1.00  1.00           N
-ATOM   1370  CA  ALA    90      -1.837  18.243 -19.863  1.00  1.00           C
-ATOM   1371  C   ALA    90      -0.861  18.197 -21.040  1.00  1.00           C
-ATOM   1372  O   ALA    90      -1.274  18.033 -22.188  1.00  1.00           O
-ATOM   1374  H   ALA    90      -2.819  20.046 -19.519  1.00  1.00           H
-ATOM   1375  HA  ALA    90      -1.444  17.626 -19.054  1.00  1.00           H
-ATOM   1373  CB  ALA    90      -3.228  17.735 -20.240  1.00  1.00           C
-ATOM   1376  HB1 ALA    90      -3.926  17.948 -19.428  1.00  1.00           H
-ATOM   1377  HB2 ALA    90      -3.565  18.237 -21.148  1.00  1.00           H
-ATOM   1378  HB3 ALA    90      -3.189  16.660 -20.411  1.00  1.00           H
-ATOM   1379  N   ASP    91       0.416  18.346 -20.717  1.00  1.00           N
-ATOM   1380  CA  ASP    91       1.452  18.324 -21.734  1.00  1.00           C
-ATOM   1381  C   ASP    91       1.625  16.894 -22.251  1.00  1.00           C
-ATOM   1382  O   ASP    91       2.405  16.651 -23.170  1.00  1.00           O
-ATOM   1387  H   ASP    91       0.743  18.480 -19.781  1.00  1.00           H
-ATOM   1388  HA  ASP    91       1.110  19.010 -22.509  1.00  1.00           H
-ATOM   1383  CB  ASP    91       2.796  18.785 -21.161  1.00  1.00           C
-ATOM   1384  CG  ASP    91       3.948  17.793 -21.338  1.00  1.00           C
-ATOM   1385  OD1 ASP    91       3.827  16.678 -20.785  1.00  1.00           O
-ATOM   1386  OD2 ASP    91       4.922  18.172 -22.022  1.00  1.00           O
-ATOM   1389  HB2 ASP    91       3.071  19.727 -21.634  1.00  1.00           H
-ATOM   1390  HB3 ASP    91       2.669  18.986 -20.097  1.00  1.00           H
-ATOM   1391  N   GLY    92       0.882  15.984 -21.638  1.00  1.00           N
-ATOM   1392  CA  GLY    92       0.942  14.585 -22.024  1.00  1.00           C
-ATOM   1393  C   GLY    92      -0.462  13.999 -22.178  1.00  1.00           C
-ATOM   1394  O   GLY    92      -0.814  13.492 -23.243  1.00  1.00           O
-ATOM   1395  H   GLY    92       0.250  16.190 -20.891  1.00  1.00           H
-ATOM   1396  HA2 GLY    92       1.486  14.487 -22.963  1.00  1.00           H
-ATOM   1397  HA3 GLY    92       1.496  14.021 -21.273  1.00  1.00           H
-ATOM   1398  N   LEU    93      -1.227  14.087 -21.100  1.00  1.00           N
-ATOM   1399  CA  LEU    93      -2.586  13.570 -21.102  1.00  1.00           C
-ATOM   1400  C   LEU    93      -3.432  14.375 -22.089  1.00  1.00           C
-ATOM   1401  O   LEU    93      -3.199  15.568 -22.282  1.00  1.00           O
-ATOM   1406  H   LEU    93      -0.934  14.500 -20.238  1.00  1.00           H
-ATOM   1407  HA  LEU    93      -2.542  12.536 -21.446  1.00  1.00           H
-ATOM   1402  CB  LEU    93      -3.152  13.550 -19.681  1.00  1.00           C
-ATOM   1403  CG  LEU    93      -2.214  13.029 -18.592  1.00  1.00           C
-ATOM   1404  CD1 LEU    93      -2.898  13.050 -17.223  1.00  1.00           C
-ATOM   1405  CD2 LEU    93      -1.679  11.641 -18.944  1.00  1.00           C
-ATOM   1408  HB2 LEU    93      -3.456  14.562 -19.418  1.00  1.00           H
-ATOM   1409  HB3 LEU    93      -4.054  12.936 -19.679  1.00  1.00           H
-ATOM   1410  HG  LEU    93      -1.356  13.698 -18.531  1.00  1.00           H
-ATOM   1411 HD11 LEU    93      -3.320  14.038 -17.041  1.00  1.00           H
-ATOM   1412 HD12 LEU    93      -3.693  12.305 -17.203  1.00  1.00           H
-ATOM   1413 HD13 LEU    93      -2.166  12.821 -16.447  1.00  1.00           H
-ATOM   1414 HD21 LEU    93      -1.602  11.545 -20.027  1.00  1.00           H
-ATOM   1415 HD22 LEU    93      -0.695  11.504 -18.495  1.00  1.00           H
-ATOM   1416 HD23 LEU    93      -2.361  10.881 -18.561  1.00  1.00           H
-ATOM   1417  N   ILE    94      -4.395  13.692 -22.689  1.00  1.00           N
-ATOM   1418  CA  ILE    94      -5.276  14.329 -23.653  1.00  1.00           C
-ATOM   1419  C   ILE    94      -5.923  15.558 -23.011  1.00  1.00           C
-ATOM   1420  O   ILE    94      -5.407  16.669 -23.132  1.00  1.00           O
-ATOM   1425  H   ILE    94      -4.577  12.723 -22.527  1.00  1.00           H
-ATOM   1426  HA  ILE    94      -4.661  14.659 -24.490  1.00  1.00           H
-ATOM   1421  CB  ILE    94      -6.286  13.320 -24.203  1.00  1.00           C
-ATOM   1422  CG1 ILE    94      -6.892  12.479 -23.077  1.00  1.00           C
-ATOM   1423  CG2 ILE    94      -5.655  12.449 -25.292  1.00  1.00           C
-ATOM   1424  CD1 ILE    94      -8.421  12.520 -23.125  1.00  1.00           C
-ATOM   1427  HB  ILE    94      -7.103  13.873 -24.667  1.00  1.00           H
-ATOM   1428 HG12 ILE    94      -6.547  11.449 -23.163  1.00  1.00           H
-ATOM   1429 HG13 ILE    94      -6.544  12.853 -22.114  1.00  1.00           H
-ATOM   1430 HG21 ILE    94      -4.680  12.857 -25.562  1.00  1.00           H
-ATOM   1431 HG22 ILE    94      -5.532  11.433 -24.919  1.00  1.00           H
-ATOM   1432 HG23 ILE    94      -6.300  12.440 -26.170  1.00  1.00           H
-ATOM   1433 HD11 ILE    94      -8.752  13.544 -23.290  1.00  1.00           H
-ATOM   1434 HD12 ILE    94      -8.775  11.886 -23.939  1.00  1.00           H
-ATOM   1435 HD13 ILE    94      -8.823  12.154 -22.180  1.00  1.00           H
-ATOM   1436  N   THR    95      -7.041  15.319 -22.344  1.00  1.00           N
-ATOM   1437  CA  THR    95      -7.763  16.393 -21.684  1.00  1.00           C
-ATOM   1438  C   THR    95      -7.088  16.753 -20.359  1.00  1.00           C
-ATOM   1439  O   THR    95      -5.869  16.637 -20.227  1.00  1.00           O
-ATOM   1443  H   THR    95      -7.454  14.412 -22.250  1.00  1.00           H
-ATOM   1444  HA  THR    95      -7.717  17.278 -22.317  1.00  1.00           H
-ATOM   1440  CB  THR    95      -9.220  15.955 -21.522  1.00  1.00           C
-ATOM   1441  OG1 THR    95      -9.739  16.832 -20.528  1.00  1.00           O
-ATOM   1442  CG2 THR    95      -9.347  14.564 -20.897  1.00  1.00           C
-ATOM   1445  HB  THR    95      -9.748  16.001 -22.475  1.00  1.00           H
-ATOM   1446  HG1 THR    95     -10.736  16.756 -20.490  1.00  1.00           H
-ATOM   1447 HG21 THR    95      -8.467  13.971 -21.145  1.00  1.00           H
-ATOM   1448 HG22 THR    95      -9.427  14.659 -19.813  1.00  1.00           H
-ATOM   1449 HG23 THR    95     -10.240  14.071 -21.284  1.00  1.00           H
-ATOM   1450  N   THR    96      -7.908  17.184 -19.411  1.00  1.00           N
-ATOM   1451  CA  THR    96      -7.404  17.562 -18.101  1.00  1.00           C
-ATOM   1452  C   THR    96      -8.325  17.028 -17.002  1.00  1.00           C
-ATOM   1453  O   THR    96      -9.510  17.357 -16.964  1.00  1.00           O
-ATOM   1457  H   THR    96      -8.897  17.275 -19.527  1.00  1.00           H
-ATOM   1458  HA  THR    96      -6.431  17.094 -17.959  1.00  1.00           H
-ATOM   1454  CB  THR    96      -7.248  19.084 -18.076  1.00  1.00           C
-ATOM   1455  OG1 THR    96      -8.576  19.566 -17.890  1.00  1.00           O
-ATOM   1456  CG2 THR    96      -6.833  19.652 -19.435  1.00  1.00           C
-ATOM   1459  HB  THR    96      -6.551  19.391 -17.297  1.00  1.00           H
-ATOM   1460  HG1 THR    96      -8.553  20.481 -17.486  1.00  1.00           H
-ATOM   1461 HG21 THR    96      -6.189  18.937 -19.946  1.00  1.00           H
-ATOM   1462 HG22 THR    96      -7.721  19.837 -20.039  1.00  1.00           H
-ATOM   1463 HG23 THR    96      -6.293  20.586 -19.288  1.00  1.00           H
-ATOM   1464  N   LEU    97      -7.746  16.214 -16.133  1.00  1.00           N
-ATOM   1465  CA  LEU    97      -8.498  15.631 -15.036  1.00  1.00           C
-ATOM   1466  C   LEU    97      -9.717  16.507 -14.737  1.00  1.00           C
-ATOM   1467  O   LEU    97      -9.598  17.727 -14.631  1.00  1.00           O
-ATOM   1472  H   LEU    97      -6.780  15.952 -16.169  1.00  1.00           H
-ATOM   1473  HA  LEU    97      -8.848  14.652 -15.363  1.00  1.00           H
-ATOM   1468  CB  LEU    97      -7.591  15.406 -13.824  1.00  1.00           C
-ATOM   1469  CG  LEU    97      -6.166  15.950 -13.942  1.00  1.00           C
-ATOM   1470  CD1 LEU    97      -5.700  16.557 -12.616  1.00  1.00           C
-ATOM   1471  CD2 LEU    97      -5.207  14.871 -14.447  1.00  1.00           C
-ATOM   1474  HB2 LEU    97      -8.063  15.861 -12.953  1.00  1.00           H
-ATOM   1475  HB3 LEU    97      -7.535  14.334 -13.631  1.00  1.00           H
-ATOM   1476  HG  LEU    97      -6.167  16.753 -14.680  1.00  1.00           H
-ATOM   1477 HD11 LEU    97      -6.083  15.959 -11.789  1.00  1.00           H
-ATOM   1478 HD12 LEU    97      -4.611  16.566 -12.585  1.00  1.00           H
-ATOM   1479 HD13 LEU    97      -6.075  17.576 -12.532  1.00  1.00           H
-ATOM   1480 HD21 LEU    97      -5.667  13.890 -14.326  1.00  1.00           H
-ATOM   1481 HD22 LEU    97      -4.990  15.043 -15.501  1.00  1.00           H
-ATOM   1482 HD23 LEU    97      -4.281  14.911 -13.873  1.00  1.00           H
-ATOM   1483  N   HIS    98     -10.860  15.851 -14.611  1.00  1.00           N
-ATOM   1484  CA  HIS    98     -12.100  16.555 -14.327  1.00  1.00           C
-ATOM   1485  C   HIS    98     -12.933  15.746 -13.329  1.00  1.00           C
-ATOM   1486  O   HIS    98     -14.157  15.856 -13.305  1.00  1.00           O
-ATOM   1493  H   HIS    98     -10.948  14.858 -14.699  1.00  1.00           H
-ATOM   1494  HA  HIS    98     -11.822  17.504 -13.871  1.00  1.00           H
-ATOM   1487  CB  HIS    98     -12.859  16.861 -15.619  1.00  1.00           C
-ATOM   1488  CG  HIS    98     -14.134  17.642 -15.412  1.00  1.00           C
-ATOM   1489  ND1 HIS    98     -14.202  19.018 -15.546  1.00  1.00           N
-ATOM   1490  CD2 HIS    98     -15.389  17.226 -15.079  1.00  1.00           C
-ATOM   1491  CE1 HIS    98     -15.447  19.401 -15.302  1.00  1.00           C
-ATOM   1492  NE2 HIS    98     -16.181  18.289 -15.012  1.00  1.00           N
-ATOM   1495  HB2 HIS    98     -12.205  17.424 -16.287  1.00  1.00           H
-ATOM   1496  HB3 HIS    98     -13.095  15.924 -16.121  1.00  1.00           H
-ATOM   1497  HD1 HIS    98     -13.441  19.620 -15.787  1.00  1.00           H
-ATOM   1498  HD2 HIS    98     -15.692  16.194 -14.898  1.00  1.00           H
-ATOM   1499  HE1 HIS    98     -15.819  20.425 -15.330  1.00  1.00           H
-ATOM   1500  N   TYR    99     -12.233  14.952 -12.530  1.00  1.00           N
-ATOM   1501  CA  TYR    99     -12.893  14.125 -11.535  1.00  1.00           C
-ATOM   1502  C   TYR    99     -11.952  13.820 -10.367  1.00  1.00           C
-ATOM   1503  O   TYR    99     -11.850  12.675  -9.931  1.00  1.00           O
-ATOM   1512  H   TYR    99     -11.238  14.868 -12.558  1.00  1.00           H
-ATOM   1513  HA  TYR    99     -13.758  14.674 -11.161  1.00  1.00           H
-ATOM   1504  CB  TYR    99     -13.250  12.816 -12.241  1.00  1.00           C
-ATOM   1505  CG  TYR    99     -12.328  11.647 -11.889  1.00  1.00           C
-ATOM   1506  CD1 TYR    99     -10.958  11.814 -11.929  1.00  1.00           C
-ATOM   1507  CD2 TYR    99     -12.864  10.427 -11.533  1.00  1.00           C
-ATOM   1508  CE1 TYR    99     -10.090  10.713 -11.598  1.00  1.00           C
-ATOM   1509  CE2 TYR    99     -11.997   9.327 -11.201  1.00  1.00           C
-ATOM   1510  CZ  TYR    99     -10.652   9.524 -11.250  1.00  1.00           C
-ATOM   1511  OH  TYR    99      -9.832   8.485 -10.937  1.00  1.00           O
-ATOM   1514  HB2 TYR    99     -14.275  12.545 -11.987  1.00  1.00           H
-ATOM   1515  HB3 TYR    99     -13.221  12.978 -13.318  1.00  1.00           H
-ATOM   1516  HD1 TYR    99     -10.533  12.776 -12.211  1.00  1.00           H
-ATOM   1517  HD2 TYR    99     -13.947  10.296 -11.502  1.00  1.00           H
-ATOM   1518  HE1 TYR    99      -9.006  10.831 -11.624  1.00  1.00           H
-ATOM   1519  HE2 TYR    99     -12.408   8.359 -10.918  1.00  1.00           H
-ATOM   1520  HH  TYR    99     -10.369   7.648 -10.824  1.00  1.00           H
-ATOM   1521  N   PRO   100     -11.273  14.894  -9.880  1.00  1.00           N
-ATOM   1522  CA  PRO   100     -10.344  14.752  -8.771  1.00  1.00           C
-ATOM   1523  C   PRO   100     -11.093  14.584  -7.448  1.00  1.00           C
-ATOM   1524  O   PRO   100     -10.492  14.658  -6.378  1.00  1.00           O
-ATOM   1528  HA  PRO   100      -9.795  13.924  -8.882  1.00  1.00           H
-ATOM   1525  CB  PRO   100      -9.487  16.006  -8.814  1.00  1.00           C
-ATOM   1526  CG  PRO   100     -10.263  17.014  -9.647  1.00  1.00           C
-ATOM   1527  CD  PRO   100     -11.370  16.264 -10.372  1.00  1.00           C
-ATOM   1529  HB2 PRO   100      -9.306  16.388  -7.809  1.00  1.00           H
-ATOM   1530  HB3 PRO   100      -8.514  15.800  -9.257  1.00  1.00           H
-ATOM   1531  HG2 PRO   100     -10.682  17.793  -9.011  1.00  1.00           H
-ATOM   1532  HG3 PRO   100      -9.603  17.506 -10.362  1.00  1.00           H
-ATOM   1533  HD2 PRO   100     -12.347  16.695 -10.154  1.00  1.00           H
-ATOM   1534  HD3 PRO   100     -11.235  16.309 -11.452  1.00  1.00           H
-ATOM   1535  N   ALA   101     -12.394  14.359  -7.565  1.00  1.00           N
-ATOM   1536  CA  ALA   101     -13.230  14.179  -6.391  1.00  1.00           C
-ATOM   1537  C   ALA   101     -13.017  12.771  -5.828  1.00  1.00           C
-ATOM   1538  O   ALA   101     -12.833  11.818  -6.585  1.00  1.00           O
-ATOM   1540  H   ALA   101     -12.874  14.298  -8.440  1.00  1.00           H
-ATOM   1541  HA  ALA   101     -12.919  14.909  -5.646  1.00  1.00           H
-ATOM   1539  CB  ALA   101     -14.692  14.444  -6.760  1.00  1.00           C
-ATOM   1542  HB1 ALA   101     -14.739  15.231  -7.512  1.00  1.00           H
-ATOM   1543  HB2 ALA   101     -15.137  13.531  -7.158  1.00  1.00           H
-ATOM   1544  HB3 ALA   101     -15.239  14.756  -5.871  1.00  1.00           H
-ATOM   1545  N   PRO   102     -13.049  12.684  -4.472  1.00  1.00           N
-ATOM   1546  CA  PRO   102     -12.860  11.408  -3.800  1.00  1.00           C
-ATOM   1547  C   PRO   102     -14.112  10.537  -3.920  1.00  1.00           C
-ATOM   1548  O   PRO   102     -15.169  11.013  -4.329  1.00  1.00           O
-ATOM   1552  HA  PRO   102     -12.124  10.893  -4.235  1.00  1.00           H
-ATOM   1549  CB  PRO   102     -12.523  11.769  -2.362  1.00  1.00           C
-ATOM   1550  CG  PRO   102     -12.989  13.203  -2.171  1.00  1.00           C
-ATOM   1551  CD  PRO   102     -13.263  13.791  -3.545  1.00  1.00           C
-ATOM   1553  HB2 PRO   102     -13.025  11.099  -1.664  1.00  1.00           H
-ATOM   1554  HB3 PRO   102     -11.452  11.677  -2.178  1.00  1.00           H
-ATOM   1555  HG2 PRO   102     -13.888  13.234  -1.556  1.00  1.00           H
-ATOM   1556  HG3 PRO   102     -12.228  13.786  -1.652  1.00  1.00           H
-ATOM   1557  HD2 PRO   102     -14.281  14.175  -3.615  1.00  1.00           H
-ATOM   1558  HD3 PRO   102     -12.592  14.623  -3.761  1.00  1.00           H
-ATOM   1559  N   LYS   103     -13.949   9.272  -3.557  1.00  1.00           N
-ATOM   1560  CA  LYS   103     -15.053   8.328  -3.619  1.00  1.00           C
-ATOM   1561  C   LYS   103     -15.556   8.045  -2.203  1.00  1.00           C
-ATOM   1562  O   LYS   103     -14.773   7.706  -1.317  1.00  1.00           O
-ATOM   1568  H   LYS   103     -13.086   8.893  -3.226  1.00  1.00           H
-ATOM   1569  HA  LYS   103     -15.857   8.802  -4.184  1.00  1.00           H
-ATOM   1563  CB  LYS   103     -14.640   7.071  -4.387  1.00  1.00           C
-ATOM   1564  CG  LYS   103     -13.589   6.275  -3.612  1.00  1.00           C
-ATOM   1565  CD  LYS   103     -12.209   6.411  -4.259  1.00  1.00           C
-ATOM   1566  CE  LYS   103     -11.367   7.467  -3.540  1.00  1.00           C
-ATOM   1567  NZ  LYS   103      -9.964   7.012  -3.414  1.00  1.00           N
-ATOM   1570  HB2 LYS   103     -15.515   6.447  -4.568  1.00  1.00           H
-ATOM   1571  HB3 LYS   103     -14.242   7.351  -5.363  1.00  1.00           H
-ATOM   1572  HG2 LYS   103     -13.546   6.629  -2.581  1.00  1.00           H
-ATOM   1573  HG3 LYS   103     -13.876   5.225  -3.577  1.00  1.00           H
-ATOM   1574  HD2 LYS   103     -11.696   5.451  -4.233  1.00  1.00           H
-ATOM   1575  HD3 LYS   103     -12.322   6.684  -5.308  1.00  1.00           H
-ATOM   1576  HE2 LYS   103     -11.404   8.406  -4.090  1.00  1.00           H
-ATOM   1577  HE3 LYS   103     -11.782   7.659  -2.551  1.00  1.00           H
-ATOM   1578  HZ1 LYS   103      -9.696   6.525  -4.245  1.00  1.00           H
-ATOM   1579  HZ2 LYS   103      -9.367   7.804  -3.286  1.00  1.00           H
-ATOM   1580  HZ3 LYS   103      -9.881   6.400  -2.627  1.00  1.00           H
-ATOM   1581  N   ARG   104     -16.862   8.196  -2.032  1.00  1.00           N
-ATOM   1582  CA  ARG   104     -17.479   7.961  -0.738  1.00  1.00           C
-ATOM   1583  C   ARG   104     -18.100   6.565  -0.691  1.00  1.00           C
-ATOM   1584  O   ARG   104     -17.890   5.818   0.264  1.00  1.00           O
-ATOM   1592  H   ARG   104     -17.492   8.474  -2.757  1.00  1.00           H
-ATOM   1593  HA  ARG   104     -16.665   8.053  -0.020  1.00  1.00           H
-ATOM   1585  CB  ARG   104     -18.562   9.004  -0.447  1.00  1.00           C
-ATOM   1586  CG  ARG   104     -19.436   8.569   0.732  1.00  1.00           C
-ATOM   1587  CD  ARG   104     -19.584   9.702   1.750  1.00  1.00           C
-ATOM   1588  NE  ARG   104     -20.909  10.346   1.603  1.00  1.00           N
-ATOM   1589  CZ  ARG   104     -21.120  11.664   1.726  1.00  1.00           C
-ATOM   1590  NH1 ARG   104     -20.098  12.485   2.000  1.00  1.00           N
-ATOM   1591  NH2 ARG   104     -22.357  12.159   1.576  1.00  1.00           N
-ATOM   1594  HB2 ARG   104     -18.097   9.964  -0.226  1.00  1.00           H
-ATOM   1595  HB3 ARG   104     -19.183   9.144  -1.332  1.00  1.00           H
-ATOM   1596  HG2 ARG   104     -20.420   8.272   0.368  1.00  1.00           H
-ATOM   1597  HG3 ARG   104     -18.996   7.697   1.215  1.00  1.00           H
-ATOM   1598  HD2 ARG   104     -19.472   9.311   2.761  1.00  1.00           H
-ATOM   1599  HD3 ARG   104     -18.794  10.439   1.604  1.00  1.00           H
-ATOM   1600  HE  ARG   104     -21.694   9.762   1.398  1.00  1.00           H
-ATOM   1601 HH11 ARG   104     -19.176  12.115   2.111  1.00  1.00           H
-ATOM   1602 HH12 ARG   104     -20.257  13.468   2.091  1.00  1.00           H
-ATOM   1603 HH21 ARG   104     -23.120  11.548   1.372  1.00  1.00           H
-ATOM   1604 HH22 ARG   104     -22.515  13.143   1.668  1.00  1.00           H
-ATOM   1605  N   GLY   105     -18.855   6.251  -1.735  1.00  1.00           N
-ATOM   1606  CA  GLY   105     -19.507   4.956  -1.826  1.00  1.00           C
-ATOM   1607  C   GLY   105     -18.484   3.841  -2.048  1.00  1.00           C
-ATOM   1608  O   GLY   105     -18.145   3.522  -3.187  1.00  1.00           O
-ATOM   1609  H   GLY   105     -19.020   6.864  -2.508  1.00  1.00           H
-ATOM   1610  HA2 GLY   105     -20.068   4.763  -0.913  1.00  1.00           H
-ATOM   1611  HA3 GLY   105     -20.225   4.965  -2.647  1.00  1.00           H
-ATOM   1612  N   ILE   106     -18.020   3.278  -0.943  1.00  1.00           N
-ATOM   1613  CA  ILE   106     -17.042   2.206  -1.002  1.00  1.00           C
-ATOM   1614  C   ILE   106     -17.768   0.858  -0.965  1.00  1.00           C
-ATOM   1615  O   ILE   106     -17.695   0.084  -1.918  1.00  1.00           O
-ATOM   1620  H   ILE   106     -18.301   3.544  -0.020  1.00  1.00           H
-ATOM   1621  HA  ILE   106     -16.521   2.291  -1.954  1.00  1.00           H
-ATOM   1616  CB  ILE   106     -15.998   2.371   0.105  1.00  1.00           C
-ATOM   1617  CG1 ILE   106     -15.252   3.698  -0.042  1.00  1.00           C
-ATOM   1618  CG2 ILE   106     -15.042   1.177   0.139  1.00  1.00           C
-ATOM   1619  CD1 ILE   106     -15.509   4.606   1.163  1.00  1.00           C
-ATOM   1622  HB  ILE   106     -16.516   2.396   1.063  1.00  1.00           H
-ATOM   1623 HG12 ILE   106     -14.183   3.510  -0.137  1.00  1.00           H
-ATOM   1624 HG13 ILE   106     -15.570   4.200  -0.955  1.00  1.00           H
-ATOM   1625 HG21 ILE   106     -15.515   0.319  -0.339  1.00  1.00           H
-ATOM   1626 HG22 ILE   106     -14.126   1.429  -0.394  1.00  1.00           H
-ATOM   1627 HG23 ILE   106     -14.805   0.931   1.174  1.00  1.00           H
-ATOM   1628 HD11 ILE   106     -16.539   4.484   1.497  1.00  1.00           H
-ATOM   1629 HD12 ILE   106     -14.830   4.337   1.973  1.00  1.00           H
-ATOM   1630 HD13 ILE   106     -15.340   5.645   0.878  1.00  1.00           H
-ATOM   1631  N   HIS   107     -18.450   0.619   0.145  1.00  1.00           N
-ATOM   1632  CA  HIS   107     -19.188  -0.621   0.318  1.00  1.00           C
-ATOM   1633  C   HIS   107     -19.965  -0.577   1.634  1.00  1.00           C
-ATOM   1634  O   HIS   107     -19.765  -1.421   2.507  1.00  1.00           O
-ATOM   1641  H   HIS   107     -18.505   1.253   0.917  1.00  1.00           H
-ATOM   1642  HA  HIS   107     -19.895  -0.683  -0.510  1.00  1.00           H
-ATOM   1635  CB  HIS   107     -18.251  -1.827   0.222  1.00  1.00           C
-ATOM   1636  CG  HIS   107     -17.485  -2.112   1.491  1.00  1.00           C
-ATOM   1637  ND1 HIS   107     -17.680  -3.258   2.244  1.00  1.00           N
-ATOM   1638  CD2 HIS   107     -16.522  -1.390   2.132  1.00  1.00           C
-ATOM   1639  CE1 HIS   107     -16.865  -3.216   3.288  1.00  1.00           C
-ATOM   1640  NE2 HIS   107     -16.149  -2.057   3.217  1.00  1.00           N
-ATOM   1643  HB2 HIS   107     -18.838  -2.708  -0.042  1.00  1.00           H
-ATOM   1644  HB3 HIS   107     -17.543  -1.660  -0.589  1.00  1.00           H
-ATOM   1645  HD1 HIS   107     -18.326  -3.992   2.035  1.00  1.00           H
-ATOM   1646  HD2 HIS   107     -16.126  -0.428   1.807  1.00  1.00           H
-ATOM   1647  HE1 HIS   107     -16.782  -3.973   4.066  1.00  1.00           H
-ATOM   1648  N   ARG   108     -20.836   0.417   1.737  1.00  1.00           N
-ATOM   1649  CA  ARG   108     -21.645   0.582   2.933  1.00  1.00           C
-ATOM   1650  C   ARG   108     -23.070   0.997   2.558  1.00  1.00           C
-ATOM   1651  O   ARG   108     -23.263   1.943   1.796  1.00  1.00           O
-ATOM   1659  H   ARG   108     -20.993   1.099   1.024  1.00  1.00           H
-ATOM   1660  HA  ARG   108     -21.635  -0.396   3.413  1.00  1.00           H
-ATOM   1652  CB  ARG   108     -21.042   1.637   3.865  1.00  1.00           C
-ATOM   1653  CG  ARG   108     -20.457   0.988   5.121  1.00  1.00           C
-ATOM   1654  CD  ARG   108     -18.967   1.307   5.259  1.00  1.00           C
-ATOM   1655  NE  ARG   108     -18.529   1.083   6.654  1.00  1.00           N
-ATOM   1656  CZ  ARG   108     -17.412   1.602   7.183  1.00  1.00           C
-ATOM   1657  NH1 ARG   108     -16.614   2.376   6.437  1.00  1.00           N
-ATOM   1658  NH2 ARG   108     -17.094   1.344   8.460  1.00  1.00           N
-ATOM   1661  HB2 ARG   108     -20.262   2.187   3.339  1.00  1.00           H
-ATOM   1662  HB3 ARG   108     -21.808   2.359   4.146  1.00  1.00           H
-ATOM   1663  HG2 ARG   108     -20.991   1.344   6.001  1.00  1.00           H
-ATOM   1664  HG3 ARG   108     -20.599  -0.091   5.077  1.00  1.00           H
-ATOM   1665  HD2 ARG   108     -18.388   0.679   4.582  1.00  1.00           H
-ATOM   1666  HD3 ARG   108     -18.780   2.341   4.972  1.00  1.00           H
-ATOM   1667  HE  ARG   108     -19.102   0.508   7.240  1.00  1.00           H
-ATOM   1668 HH11 ARG   108     -16.852   2.567   5.484  1.00  1.00           H
-ATOM   1669 HH12 ARG   108     -15.780   2.762   6.832  1.00  1.00           H
-ATOM   1670 HH21 ARG   108     -17.690   0.765   9.017  1.00  1.00           H
-ATOM   1671 HH22 ARG   108     -16.260   1.730   8.855  1.00  1.00           H
-ATOM   1672  N   ASP   109     -24.028   0.271   3.111  1.00  1.00           N
-ATOM   1673  CA  ASP   109     -25.428   0.551   2.845  1.00  1.00           C
-ATOM   1674  C   ASP   109     -25.660   2.063   2.896  1.00  1.00           C
-ATOM   1675  O   ASP   109     -24.679   2.796   2.649  1.00  1.00           O
-ATOM   1681  H   ASP   109     -23.861  -0.497   3.731  1.00  1.00           H
-ATOM   1682  HA  ASP   109     -25.621   0.133   1.857  1.00  1.00           H
-ATOM   1676  CB  ASP   109     -26.331  -0.101   3.894  1.00  1.00           C
-ATOM   1677  CG  ASP   109     -26.253  -1.628   3.954  1.00  1.00           C
-ATOM   1678  OD1 ASP   109     -26.298  -2.222   2.809  1.00  1.00           O
-ATOM   1679  OD2 ASP   109     -26.156  -2.220   5.039  1.00  1.00           O
-ATOM   1683  HB2 ASP   109     -26.072   0.301   4.873  1.00  1.00           H
-ATOM   1684  HB3 ASP   109     -27.363   0.189   3.693  1.00  1.00           H
-ATOM   1680  OXT ASP   109     -26.770   2.515   3.170  1.00  1.00           O
-TER
-END
diff --git a/Mobi/data/stdout2 b/Mobi/data/stdout2
deleted file mode 100644
index fa2f96a..0000000
--- a/Mobi/data/stdout2
+++ /dev/null
@@ -1,1695 +0,0 @@
-SEQRES   0   109   GLY SER GLY ASN SER LEU GLU LYS HIS SER TRP TYR HIS 
-SEQRES   1   109   GLY PRO VAL SER ARG ASN ALA ALA GLU TYR LEU LEU SER 
-SEQRES   2   109   SER GLY ILE ASN GLY SER PHE LEU VAL ARG GLU SER GLU 
-SEQRES   3   109   SER SER PRO GLY GLN ARG SER ILE SER LEU ARG TYR GLU 
-SEQRES   4   109   GLY ARG VAL TYR HIS TYR ARG ILE ASN THR ALA SER ASP 
-SEQRES   5   109   GLY LYS LEU TYR VAL SER SER GLU SER ARG PHE ASN THR 
-SEQRES   6   109   LEU ALA GLU LEU VAL HIS HIS HIS SER THR VAL ALA ASP 
-SEQRES   7   109   GLY LEU ILE THR THR LEU HIS TYR PRO ALA PRO LYS ARG 
-SEQRES   9   109   GLY ILE HIS ARG ASP 
-ATOM      1  N   GLY     1       6.667  -1.830   0.886  1.00  1.00           N
-ATOM      2  CA  GLY     1       7.406  -1.578   2.111  1.00  1.00           C
-ATOM      3  C   GLY     1       6.718  -0.502   2.954  1.00  1.00           C
-ATOM      4  O   GLY     1       5.584  -0.684   3.394  1.00  1.00           O
-ATOM      5  H1  GLY     1       5.687  -1.975   1.104  1.00  1.00           H
-ATOM      6  H2  GLY     1       6.761  -1.035   0.265  1.00  1.00           H
-ATOM      7  H3  GLY     1       7.037  -2.658   0.432  1.00  1.00           H
-ATOM      8  HA2 GLY     1       7.486  -2.500   2.687  1.00  1.00           H
-ATOM      9  HA3 GLY     1       8.421  -1.262   1.870  1.00  1.00           H
-ATOM     10  N   SER     2       7.433   0.596   3.153  1.00  1.00           N
-ATOM     11  CA  SER     2       6.905   1.700   3.935  1.00  1.00           C
-ATOM     12  C   SER     2       5.947   2.534   3.081  1.00  1.00           C
-ATOM     13  O   SER     2       4.778   2.696   3.431  1.00  1.00           O
-ATOM     16  H   SER     2       8.354   0.735   2.792  1.00  1.00           H
-ATOM     17  HA  SER     2       6.373   1.238   4.765  1.00  1.00           H
-ATOM     14  CB  SER     2       8.034   2.578   4.479  1.00  1.00           C
-ATOM     15  OG  SER     2       7.536   3.694   5.212  1.00  1.00           O
-ATOM     18  HB2 SER     2       8.680   1.980   5.123  1.00  1.00           H
-ATOM     19  HB3 SER     2       8.647   2.933   3.651  1.00  1.00           H
-ATOM     20  HG  SER     2       6.705   4.044   4.781  1.00  1.00           H
-ATOM     21  N   GLY     3       6.477   3.045   1.981  1.00  1.00           N
-ATOM     22  CA  GLY     3       5.684   3.859   1.075  1.00  1.00           C
-ATOM     23  C   GLY     3       4.834   2.983   0.153  1.00  1.00           C
-ATOM     24  O   GLY     3       3.606   3.058   0.179  1.00  1.00           O
-ATOM     25  H   GLY     3       7.429   2.910   1.703  1.00  1.00           H
-ATOM     26  HA2 GLY     3       5.040   4.523   1.649  1.00  1.00           H
-ATOM     27  HA3 GLY     3       6.341   4.490   0.477  1.00  1.00           H
-ATOM     28  N   ASN     4       5.520   2.173  -0.640  1.00  1.00           N
-ATOM     29  CA  ASN     4       4.842   1.283  -1.568  1.00  1.00           C
-ATOM     30  C   ASN     4       3.653   2.016  -2.192  1.00  1.00           C
-ATOM     31  O   ASN     4       3.804   2.712  -3.194  1.00  1.00           O
-ATOM     36  H   ASN     4       6.518   2.118  -0.655  1.00  1.00           H
-ATOM     37  HA  ASN     4       5.597   1.011  -2.305  1.00  1.00           H
-ATOM     32  CB  ASN     4       4.310   0.042  -0.851  1.00  1.00           C
-ATOM     33  CG  ASN     4       4.066   0.326   0.632  1.00  1.00           C
-ATOM     34  OD1 ASN     4       4.955   0.721   1.369  1.00  1.00           O
-ATOM     35  ND2 ASN     4       2.816   0.102   1.027  1.00  1.00           N
-ATOM     38  HB2 ASN     4       3.380  -0.284  -1.321  1.00  1.00           H
-ATOM     39  HB3 ASN     4       5.023  -0.777  -0.955  1.00  1.00           H
-ATOM     40 HD21 ASN     4       2.134  -0.223   0.371  1.00  1.00           H
-ATOM     41 HD22 ASN     4       2.558   0.259   1.981  1.00  1.00           H
-ATOM     42  N   SER     5       2.495   1.833  -1.574  1.00  1.00           N
-ATOM     43  CA  SER     5       1.280   2.466  -2.055  1.00  1.00           C
-ATOM     44  C   SER     5       0.520   3.097  -0.887  1.00  1.00           C
-ATOM     45  O   SER     5       0.704   2.702   0.264  1.00  1.00           O
-ATOM     48  H   SER     5       2.380   1.263  -0.759  1.00  1.00           H
-ATOM     49  HA  SER     5       1.613   3.234  -2.754  1.00  1.00           H
-ATOM     46  CB  SER     5       0.388   1.463  -2.789  1.00  1.00           C
-ATOM     47  OG  SER     5      -0.374   0.667  -1.885  1.00  1.00           O
-ATOM     50  HB2 SER     5      -0.286   1.998  -3.459  1.00  1.00           H
-ATOM     51  HB3 SER     5       1.006   0.814  -3.411  1.00  1.00           H
-ATOM     52  HG  SER     5      -0.011   0.758  -0.958  1.00  1.00           H
-ATOM     53  N   LEU     6      -0.318   4.067  -1.223  1.00  1.00           N
-ATOM     54  CA  LEU     6      -1.107   4.756  -0.216  1.00  1.00           C
-ATOM     55  C   LEU     6      -2.208   5.567  -0.903  1.00  1.00           C
-ATOM     56  O   LEU     6      -2.222   5.688  -2.126  1.00  1.00           O
-ATOM     61  H   LEU     6      -0.463   4.382  -2.161  1.00  1.00           H
-ATOM     62  HA  LEU     6      -1.577   3.996   0.408  1.00  1.00           H
-ATOM     57  CB  LEU     6      -0.205   5.591   0.693  1.00  1.00           C
-ATOM     58  CG  LEU     6       0.649   6.654  -0.002  1.00  1.00           C
-ATOM     59  CD1 LEU     6       1.034   7.770   0.970  1.00  1.00           C
-ATOM     60  CD2 LEU     6       1.874   6.026  -0.667  1.00  1.00           C
-ATOM     63  HB2 LEU     6      -0.828   6.084   1.439  1.00  1.00           H
-ATOM     64  HB3 LEU     6       0.461   4.915   1.231  1.00  1.00           H
-ATOM     65  HG  LEU     6       0.051   7.109  -0.792  1.00  1.00           H
-ATOM     66 HD11 LEU     6       0.226   7.924   1.686  1.00  1.00           H
-ATOM     67 HD12 LEU     6       1.943   7.491   1.503  1.00  1.00           H
-ATOM     68 HD13 LEU     6       1.208   8.692   0.415  1.00  1.00           H
-ATOM     69 HD21 LEU     6       2.102   5.075  -0.185  1.00  1.00           H
-ATOM     70 HD22 LEU     6       1.668   5.856  -1.724  1.00  1.00           H
-ATOM     71 HD23 LEU     6       2.727   6.697  -0.566  1.00  1.00           H
-ATOM     72  N   GLU     7      -3.100   6.104  -0.085  1.00  1.00           N
-ATOM     73  CA  GLU     7      -4.202   6.901  -0.600  1.00  1.00           C
-ATOM     74  C   GLU     7      -3.703   8.281  -1.029  1.00  1.00           C
-ATOM     75  O   GLU     7      -4.080   9.293  -0.440  1.00  1.00           O
-ATOM     81  H   GLU     7      -3.082   6.001   0.909  1.00  1.00           H
-ATOM     82  HA  GLU     7      -4.574   6.355  -1.466  1.00  1.00           H
-ATOM     76  CB  GLU     7      -5.322   7.021   0.435  1.00  1.00           C
-ATOM     77  CG  GLU     7      -6.601   6.337  -0.057  1.00  1.00           C
-ATOM     78  CD  GLU     7      -7.653   6.280   1.051  1.00  1.00           C
-ATOM     79  OE1 GLU     7      -8.164   7.419   1.378  1.00  1.00           O
-ATOM     80  OE2 GLU     7      -7.955   5.192   1.564  1.00  1.00           O
-ATOM     83  HB2 GLU     7      -5.004   6.570   1.375  1.00  1.00           H
-ATOM     84  HB3 GLU     7      -5.523   8.072   0.639  1.00  1.00           H
-ATOM     85  HG2 GLU     7      -6.999   6.879  -0.915  1.00  1.00           H
-ATOM     86  HG3 GLU     7      -6.368   5.328  -0.396  1.00  1.00           H
-ATOM     87  N   LYS     8      -2.861   8.280  -2.052  1.00  1.00           N
-ATOM     88  CA  LYS     8      -2.307   9.519  -2.568  1.00  1.00           C
-ATOM     89  C   LYS     8      -3.434  10.534  -2.768  1.00  1.00           C
-ATOM     90  O   LYS     8      -3.808  11.245  -1.836  1.00  1.00           O
-ATOM     96  H   LYS     8      -2.560   7.451  -2.525  1.00  1.00           H
-ATOM     97  HA  LYS     8      -1.622   9.908  -1.815  1.00  1.00           H
-ATOM     91  CB  LYS     8      -1.486   9.255  -3.831  1.00  1.00           C
-ATOM     92  CG  LYS     8      -1.098  10.566  -4.518  1.00  1.00           C
-ATOM     93  CD  LYS     8      -0.546  11.572  -3.507  1.00  1.00           C
-ATOM     94  CE  LYS     8       0.820  11.125  -2.980  1.00  1.00           C
-ATOM     95  NZ  LYS     8       0.657  10.118  -1.907  1.00  1.00           N
-ATOM     98  HB2 LYS     8      -0.586   8.695  -3.575  1.00  1.00           H
-ATOM     99  HB3 LYS     8      -2.061   8.636  -4.521  1.00  1.00           H
-ATOM    100  HG2 LYS     8      -0.352  10.370  -5.288  1.00  1.00           H
-ATOM    101  HG3 LYS     8      -1.969  10.989  -5.019  1.00  1.00           H
-ATOM    102  HD2 LYS     8      -0.454  12.552  -3.976  1.00  1.00           H
-ATOM    103  HD3 LYS     8      -1.243  11.679  -2.677  1.00  1.00           H
-ATOM    104  HE2 LYS     8       1.410  10.705  -3.794  1.00  1.00           H
-ATOM    105  HE3 LYS     8       1.369  11.986  -2.599  1.00  1.00           H
-ATOM    106  HZ1 LYS     8       0.025   9.394  -2.217  1.00  1.00           H
-ATOM    107  HZ2 LYS     8       1.538   9.684  -1.657  1.00  1.00           H
-ATOM    108  HZ3 LYS     8       0.281  10.564  -1.083  1.00  1.00           H
-ATOM    109  N   HIS     9      -3.945  10.569  -3.990  1.00  1.00           N
-ATOM    110  CA  HIS     9      -5.023  11.485  -4.325  1.00  1.00           C
-ATOM    111  C   HIS     9      -6.337  10.710  -4.441  1.00  1.00           C
-ATOM    112  O   HIS     9      -6.387   9.517  -4.144  1.00  1.00           O
-ATOM    119  H   HIS     9      -3.635   9.988  -4.743  1.00  1.00           H
-ATOM    120  HA  HIS     9      -5.100  12.192  -3.499  1.00  1.00           H
-ATOM    113  CB  HIS     9      -4.689  12.277  -5.589  1.00  1.00           C
-ATOM    114  CG  HIS     9      -3.499  13.197  -5.442  1.00  1.00           C
-ATOM    115  ND1 HIS     9      -2.829  13.368  -4.244  1.00  1.00           N
-ATOM    116  CD2 HIS     9      -2.868  13.990  -6.354  1.00  1.00           C
-ATOM    117  CE1 HIS     9      -1.841  14.228  -4.437  1.00  1.00           C
-ATOM    118  NE2 HIS     9      -1.867  14.614  -5.745  1.00  1.00           N
-ATOM    121  HB2 HIS     9      -4.498  11.580  -6.404  1.00  1.00           H
-ATOM    122  HB3 HIS     9      -5.558  12.869  -5.875  1.00  1.00           H
-ATOM    123  HD1 HIS     9      -3.052  12.918  -3.378  1.00  1.00           H
-ATOM    124  HD2 HIS     9      -3.140  14.094  -7.405  1.00  1.00           H
-ATOM    125  HE1 HIS     9      -1.131  14.571  -3.684  1.00  1.00           H
-ATOM    126  N   SER    10      -7.369  11.419  -4.872  1.00  1.00           N
-ATOM    127  CA  SER    10      -8.680  10.814  -5.031  1.00  1.00           C
-ATOM    128  C   SER    10      -8.734  10.018  -6.337  1.00  1.00           C
-ATOM    129  O   SER    10      -9.802   9.563  -6.746  1.00  1.00           O
-ATOM    132  H   SER    10      -7.321  12.389  -5.111  1.00  1.00           H
-ATOM    133  HA  SER    10      -8.798  10.150  -4.173  1.00  1.00           H
-ATOM    130  CB  SER    10      -9.784  11.873  -5.008  1.00  1.00           C
-ATOM    131  OG  SER    10      -9.642  12.813  -6.070  1.00  1.00           O
-ATOM    134  HB2 SER    10     -10.756  11.386  -5.083  1.00  1.00           H
-ATOM    135  HB3 SER    10      -9.763  12.398  -4.055  1.00  1.00           H
-ATOM    136  HG  SER    10     -10.527  12.975  -6.505  1.00  1.00           H
-ATOM    137  N   TRP    11      -7.571   9.874  -6.953  1.00  1.00           N
-ATOM    138  CA  TRP    11      -7.472   9.141  -8.204  1.00  1.00           C
-ATOM    139  C   TRP    11      -6.454   8.015  -8.013  1.00  1.00           C
-ATOM    140  O   TRP    11      -6.213   7.229  -8.928  1.00  1.00           O
-ATOM    151  H   TRP    11      -6.708  10.247  -6.612  1.00  1.00           H
-ATOM    152  HA  TRP    11      -8.454   8.722  -8.423  1.00  1.00           H
-ATOM    141  CB  TRP    11      -7.118  10.077  -9.361  1.00  1.00           C
-ATOM    142  CG  TRP    11      -5.972  11.042  -9.053  1.00  1.00           C
-ATOM    143  CD1 TRP    11      -6.033  12.371  -8.891  1.00  1.00           C
-ATOM    144  CD2 TRP    11      -4.582  10.697  -8.877  1.00  1.00           C
-ATOM    145  NE1 TRP    11      -4.789  12.905  -8.624  1.00  1.00           N
-ATOM    146  CE2 TRP    11      -3.879  11.855  -8.614  1.00  1.00           C
-ATOM    147  CE3 TRP    11      -3.941   9.447  -8.936  1.00  1.00           C
-ATOM    148  CZ2 TRP    11      -2.497  11.879  -8.391  1.00  1.00           C
-ATOM    149  CZ3 TRP    11      -2.559   9.488  -8.710  1.00  1.00           C
-ATOM    150  CH2 TRP    11      -1.836  10.644  -8.445  1.00  1.00           C
-ATOM    153  HB2 TRP    11      -6.851   9.476 -10.231  1.00  1.00           H
-ATOM    154  HB3 TRP    11      -8.003  10.653  -9.631  1.00  1.00           H
-ATOM    155  HD1 TRP    11      -6.950  12.956  -8.962  1.00  1.00           H
-ATOM    156  HE1 TRP    11      -4.562  13.957  -8.452  1.00  1.00           H
-ATOM    157  HE3 TRP    11      -4.472   8.518  -9.141  1.00  1.00           H
-ATOM    158  HZ2 TRP    11      -1.964  12.807  -8.186  1.00  1.00           H
-ATOM    159  HZ3 TRP    11      -2.011   8.546  -8.744  1.00  1.00           H
-ATOM    160  HH2 TRP    11      -0.761  10.593  -8.279  1.00  1.00           H
-ATOM    161  N   TYR    12      -5.884   7.973  -6.818  1.00  1.00           N
-ATOM    162  CA  TYR    12      -4.896   6.955  -6.495  1.00  1.00           C
-ATOM    163  C   TYR    12      -5.421   6.005  -5.418  1.00  1.00           C
-ATOM    164  O   TYR    12      -5.271   6.270  -4.226  1.00  1.00           O
-ATOM    173  H   TYR    12      -6.085   8.615  -6.079  1.00  1.00           H
-ATOM    174  HA  TYR    12      -4.690   6.387  -7.403  1.00  1.00           H
-ATOM    165  CB  TYR    12      -3.680   7.706  -5.949  1.00  1.00           C
-ATOM    166  CG  TYR    12      -2.353   6.970  -6.144  1.00  1.00           C
-ATOM    167  CD1 TYR    12      -2.304   5.596  -6.023  1.00  1.00           C
-ATOM    168  CD2 TYR    12      -1.208   7.678  -6.442  1.00  1.00           C
-ATOM    169  CE1 TYR    12      -1.056   4.901  -6.205  1.00  1.00           C
-ATOM    170  CE2 TYR    12       0.040   6.983  -6.626  1.00  1.00           C
-ATOM    171  CZ  TYR    12       0.054   5.629  -6.498  1.00  1.00           C
-ATOM    172  OH  TYR    12       1.234   4.973  -6.672  1.00  1.00           O
-ATOM    175  HB2 TYR    12      -3.617   8.681  -6.436  1.00  1.00           H
-ATOM    176  HB3 TYR    12      -3.828   7.891  -4.885  1.00  1.00           H
-ATOM    177  HD1 TYR    12      -3.209   5.035  -5.787  1.00  1.00           H
-ATOM    178  HD2 TYR    12      -1.247   8.763  -6.538  1.00  1.00           H
-ATOM    179  HE1 TYR    12      -1.003   3.817  -6.112  1.00  1.00           H
-ATOM    180  HE2 TYR    12       0.953   7.530  -6.861  1.00  1.00           H
-ATOM    181  HH  TYR    12       1.063   4.006  -6.855  1.00  1.00           H
-ATOM    182  N   HIS    13      -6.023   4.918  -5.876  1.00  1.00           N
-ATOM    183  CA  HIS    13      -6.570   3.926  -4.966  1.00  1.00           C
-ATOM    184  C   HIS    13      -5.945   2.561  -5.259  1.00  1.00           C
-ATOM    185  O   HIS    13      -6.196   1.593  -4.541  1.00  1.00           O
-ATOM    192  H   HIS    13      -6.142   4.710  -6.847  1.00  1.00           H
-ATOM    193  HA  HIS    13      -6.290   4.236  -3.959  1.00  1.00           H
-ATOM    186  CB  HIS    13      -8.100   3.907  -5.038  1.00  1.00           C
-ATOM    187  CG  HIS    13      -8.645   3.601  -6.413  1.00  1.00           C
-ATOM    188  ND1 HIS    13      -9.151   2.360  -6.759  1.00  1.00           N
-ATOM    189  CD2 HIS    13      -8.760   4.387  -7.522  1.00  1.00           C
-ATOM    190  CE1 HIS    13      -9.548   2.408  -8.023  1.00  1.00           C
-ATOM    191  NE2 HIS    13      -9.304   3.665  -8.494  1.00  1.00           N
-ATOM    194  HB2 HIS    13      -8.476   3.165  -4.335  1.00  1.00           H
-ATOM    195  HB3 HIS    13      -8.481   4.876  -4.715  1.00  1.00           H
-ATOM    196  HD1 HIS    13      -9.207   1.563  -6.159  1.00  1.00           H
-ATOM    197  HD2 HIS    13      -8.455   5.431  -7.597  1.00  1.00           H
-ATOM    198  HE1 HIS    13      -9.992   1.588  -8.586  1.00  1.00           H
-ATOM    199  N   GLY    14      -5.146   2.526  -6.314  1.00  1.00           N
-ATOM    200  CA  GLY    14      -4.483   1.295  -6.710  1.00  1.00           C
-ATOM    201  C   GLY    14      -4.730   0.992  -8.190  1.00  1.00           C
-ATOM    202  O   GLY    14      -5.206   1.849  -8.931  1.00  1.00           O
-ATOM    203  H   GLY    14      -4.948   3.318  -6.891  1.00  1.00           H
-ATOM    204  HA2 GLY    14      -3.412   1.380  -6.526  1.00  1.00           H
-ATOM    205  HA3 GLY    14      -4.846   0.469  -6.100  1.00  1.00           H
-ATOM    206  N   PRO    15      -4.387  -0.264  -8.583  1.00  1.00           N
-ATOM    207  CA  PRO    15      -4.565  -0.692  -9.960  1.00  1.00           C
-ATOM    208  C   PRO    15      -6.041  -0.963 -10.262  1.00  1.00           C
-ATOM    209  O   PRO    15      -6.715  -1.662  -9.506  1.00  1.00           O
-ATOM    213  HA  PRO    15      -4.287   0.034 -10.588  1.00  1.00           H
-ATOM    210  CB  PRO    15      -3.694  -1.928 -10.105  1.00  1.00           C
-ATOM    211  CG  PRO    15      -3.423  -2.415  -8.691  1.00  1.00           C
-ATOM    212  CD  PRO    15      -3.820  -1.306  -7.731  1.00  1.00           C
-ATOM    214  HB2 PRO    15      -4.196  -2.694 -10.694  1.00  1.00           H
-ATOM    215  HB3 PRO    15      -2.762  -1.690 -10.621  1.00  1.00           H
-ATOM    216  HG2 PRO    15      -3.994  -3.322  -8.485  1.00  1.00           H
-ATOM    217  HG3 PRO    15      -2.369  -2.667  -8.569  1.00  1.00           H
-ATOM    218  HD2 PRO    15      -4.548  -1.658  -6.999  1.00  1.00           H
-ATOM    219  HD3 PRO    15      -2.960  -0.937  -7.174  1.00  1.00           H
-ATOM    220  N   VAL    16      -6.501  -0.397 -11.368  1.00  1.00           N
-ATOM    221  CA  VAL    16      -7.883  -0.568 -11.780  1.00  1.00           C
-ATOM    222  C   VAL    16      -7.921  -1.121 -13.205  1.00  1.00           C
-ATOM    223  O   VAL    16      -7.208  -0.637 -14.082  1.00  1.00           O
-ATOM    227  H   VAL    16      -5.944   0.171 -11.976  1.00  1.00           H
-ATOM    228  HA  VAL    16      -8.337  -1.297 -11.108  1.00  1.00           H
-ATOM    224  CB  VAL    16      -8.641   0.752 -11.630  1.00  1.00           C
-ATOM    225  CG1 VAL    16      -8.072   1.821 -12.563  1.00  1.00           C
-ATOM    226  CG2 VAL    16     -10.139   0.554 -11.871  1.00  1.00           C
-ATOM    229  HB  VAL    16      -8.510   1.099 -10.605  1.00  1.00           H
-ATOM    230 HG11 VAL    16      -7.860   1.378 -13.537  1.00  1.00           H
-ATOM    231 HG12 VAL    16      -8.798   2.625 -12.681  1.00  1.00           H
-ATOM    232 HG13 VAL    16      -7.151   2.222 -12.139  1.00  1.00           H
-ATOM    233 HG21 VAL    16     -10.419  -0.464 -11.601  1.00  1.00           H
-ATOM    234 HG22 VAL    16     -10.702   1.259 -11.260  1.00  1.00           H
-ATOM    235 HG23 VAL    16     -10.363   0.727 -12.924  1.00  1.00           H
-ATOM    236  N   SER    17      -8.762  -2.127 -13.393  1.00  1.00           N
-ATOM    237  CA  SER    17      -8.903  -2.751 -14.697  1.00  1.00           C
-ATOM    238  C   SER    17      -9.495  -1.753 -15.693  1.00  1.00           C
-ATOM    239  O   SER    17     -10.416  -1.008 -15.359  1.00  1.00           O
-ATOM    242  H   SER    17      -9.340  -2.516 -12.675  1.00  1.00           H
-ATOM    243  HA  SER    17      -7.892  -3.034 -14.993  1.00  1.00           H
-ATOM    240  CB  SER    17      -9.778  -4.004 -14.617  1.00  1.00           C
-ATOM    241  OG  SER    17     -10.934  -3.798 -13.810  1.00  1.00           O
-ATOM    244  HB2 SER    17     -10.086  -4.297 -15.621  1.00  1.00           H
-ATOM    245  HB3 SER    17      -9.195  -4.829 -14.209  1.00  1.00           H
-ATOM    246  HG  SER    17     -11.029  -2.825 -13.591  1.00  1.00           H
-ATOM    247  N   ARG    18      -8.944  -1.770 -16.897  1.00  1.00           N
-ATOM    248  CA  ARG    18      -9.406  -0.874 -17.946  1.00  1.00           C
-ATOM    249  C   ARG    18     -10.842  -1.220 -18.343  1.00  1.00           C
-ATOM    250  O   ARG    18     -11.651  -0.328 -18.602  1.00  1.00           O
-ATOM    258  H   ARG    18      -8.195  -2.378 -17.163  1.00  1.00           H
-ATOM    259  HA  ARG    18      -9.350   0.121 -17.507  1.00  1.00           H
-ATOM    251  CB  ARG    18      -8.508  -0.963 -19.181  1.00  1.00           C
-ATOM    252  CG  ARG    18      -9.194  -1.742 -20.305  1.00  1.00           C
-ATOM    253  CD  ARG    18      -8.273  -1.881 -21.517  1.00  1.00           C
-ATOM    254  NE  ARG    18      -9.076  -2.089 -22.742  1.00  1.00           N
-ATOM    255  CZ  ARG    18      -9.269  -3.282 -23.321  1.00  1.00           C
-ATOM    256  NH1 ARG    18      -8.717  -4.382 -22.790  1.00  1.00           N
-ATOM    257  NH2 ARG    18     -10.014  -3.376 -24.432  1.00  1.00           N
-ATOM    260  HB2 ARG    18      -8.261   0.042 -19.528  1.00  1.00           H
-ATOM    261  HB3 ARG    18      -7.569  -1.448 -18.918  1.00  1.00           H
-ATOM    262  HG2 ARG    18      -9.479  -2.729 -19.944  1.00  1.00           H
-ATOM    263  HG3 ARG    18     -10.112  -1.232 -20.598  1.00  1.00           H
-ATOM    264  HD2 ARG    18      -7.658  -0.987 -21.623  1.00  1.00           H
-ATOM    265  HD3 ARG    18      -7.592  -2.720 -21.373  1.00  1.00           H
-ATOM    266  HE  ARG    18      -9.503  -1.289 -23.165  1.00  1.00           H
-ATOM    267 HH11 ARG    18      -8.161  -4.311 -21.961  1.00  1.00           H
-ATOM    268 HH12 ARG    18      -8.860  -5.272 -23.221  1.00  1.00           H
-ATOM    269 HH21 ARG    18     -10.425  -2.555 -24.828  1.00  1.00           H
-ATOM    270 HH22 ARG    18     -10.157  -4.266 -24.863  1.00  1.00           H
-ATOM    271  N   ASN    19     -11.118  -2.516 -18.377  1.00  1.00           N
-ATOM    272  CA  ASN    19     -12.444  -2.990 -18.739  1.00  1.00           C
-ATOM    273  C   ASN    19     -13.471  -2.404 -17.768  1.00  1.00           C
-ATOM    274  O   ASN    19     -14.324  -1.611 -18.166  1.00  1.00           O
-ATOM    279  H   ASN    19     -10.456  -3.233 -18.165  1.00  1.00           H
-ATOM    280  HA  ASN    19     -12.598  -2.653 -19.764  1.00  1.00           H
-ATOM    275  CB  ASN    19     -12.526  -4.515 -18.651  1.00  1.00           C
-ATOM    276  CG  ASN    19     -11.948  -5.168 -19.908  1.00  1.00           C
-ATOM    277  OD1 ASN    19     -12.501  -5.084 -20.992  1.00  1.00           O
-ATOM    278  ND2 ASN    19     -10.808  -5.821 -19.702  1.00  1.00           N
-ATOM    281  HB2 ASN    19     -11.981  -4.861 -17.773  1.00  1.00           H
-ATOM    282  HB3 ASN    19     -13.565  -4.820 -18.523  1.00  1.00           H
-ATOM    283 HD21 ASN    19     -10.407  -5.852 -18.786  1.00  1.00           H
-ATOM    284 HD22 ASN    19     -10.352  -6.282 -20.463  1.00  1.00           H
-ATOM    285  N   ALA    20     -13.358  -2.818 -16.515  1.00  1.00           N
-ATOM    286  CA  ALA    20     -14.267  -2.345 -15.485  1.00  1.00           C
-ATOM    287  C   ALA    20     -14.209  -0.816 -15.423  1.00  1.00           C
-ATOM    288  O   ALA    20     -15.212  -0.165 -15.133  1.00  1.00           O
-ATOM    290  H   ALA    20     -12.663  -3.463 -16.200  1.00  1.00           H
-ATOM    291  HA  ALA    20     -15.276  -2.650 -15.766  1.00  1.00           H
-ATOM    289  CB  ALA    20     -13.910  -2.996 -14.148  1.00  1.00           C
-ATOM    292  HB1 ALA    20     -13.043  -3.646 -14.282  1.00  1.00           H
-ATOM    293  HB2 ALA    20     -13.673  -2.222 -13.418  1.00  1.00           H
-ATOM    294  HB3 ALA    20     -14.755  -3.586 -13.794  1.00  1.00           H
-ATOM    295  N   ALA    21     -13.025  -0.289 -15.700  1.00  1.00           N
-ATOM    296  CA  ALA    21     -12.823   1.150 -15.679  1.00  1.00           C
-ATOM    297  C   ALA    21     -13.917   1.826 -16.506  1.00  1.00           C
-ATOM    298  O   ALA    21     -14.728   2.582 -15.972  1.00  1.00           O
-ATOM    300  H   ALA    21     -12.215  -0.826 -15.934  1.00  1.00           H
-ATOM    301  HA  ALA    21     -12.905   1.481 -14.643  1.00  1.00           H
-ATOM    299  CB  ALA    21     -11.420   1.476 -16.191  1.00  1.00           C
-ATOM    302  HB1 ALA    21     -11.018   0.612 -16.721  1.00  1.00           H
-ATOM    303  HB2 ALA    21     -11.469   2.328 -16.868  1.00  1.00           H
-ATOM    304  HB3 ALA    21     -10.772   1.718 -15.348  1.00  1.00           H
-ATOM    305  N   GLU    22     -13.907   1.529 -17.797  1.00  1.00           N
-ATOM    306  CA  GLU    22     -14.890   2.100 -18.704  1.00  1.00           C
-ATOM    307  C   GLU    22     -16.303   1.698 -18.277  1.00  1.00           C
-ATOM    308  O   GLU    22     -17.244   2.473 -18.430  1.00  1.00           O
-ATOM    314  H   GLU    22     -13.246   0.913 -18.225  1.00  1.00           H
-ATOM    315  HA  GLU    22     -14.769   3.178 -18.620  1.00  1.00           H
-ATOM    309  CB  GLU    22     -14.612   1.676 -20.149  1.00  1.00           C
-ATOM    310  CG  GLU    22     -13.424   0.715 -20.220  1.00  1.00           C
-ATOM    311  CD  GLU    22     -13.160   0.276 -21.662  1.00  1.00           C
-ATOM    312  OE1 GLU    22     -14.150   0.194 -22.421  1.00  1.00           O
-ATOM    313  OE2 GLU    22     -11.974   0.035 -21.973  1.00  1.00           O
-ATOM    316  HB2 GLU    22     -15.498   1.198 -20.567  1.00  1.00           H
-ATOM    317  HB3 GLU    22     -14.409   2.558 -20.757  1.00  1.00           H
-ATOM    318  HG2 GLU    22     -12.535   1.199 -19.814  1.00  1.00           H
-ATOM    319  HG3 GLU    22     -13.623  -0.160 -19.601  1.00  1.00           H
-ATOM    320  N   TYR    23     -16.406   0.487 -17.751  1.00  1.00           N
-ATOM    321  CA  TYR    23     -17.688  -0.027 -17.299  1.00  1.00           C
-ATOM    322  C   TYR    23     -18.210   0.772 -16.104  1.00  1.00           C
-ATOM    323  O   TYR    23     -19.190   1.506 -16.222  1.00  1.00           O
-ATOM    332  H   TYR    23     -15.635  -0.138 -17.630  1.00  1.00           H
-ATOM    333  HA  TYR    23     -18.396   0.064 -18.124  1.00  1.00           H
-ATOM    324  CB  TYR    23     -17.434  -1.471 -16.861  1.00  1.00           C
-ATOM    325  CG  TYR    23     -18.695  -2.220 -16.426  1.00  1.00           C
-ATOM    326  CD1 TYR    23     -19.215  -2.021 -15.163  1.00  1.00           C
-ATOM    327  CD2 TYR    23     -19.312  -3.095 -17.297  1.00  1.00           C
-ATOM    328  CE1 TYR    23     -20.401  -2.727 -14.753  1.00  1.00           C
-ATOM    329  CE2 TYR    23     -20.500  -3.800 -16.888  1.00  1.00           C
-ATOM    330  CZ  TYR    23     -20.985  -3.581 -15.637  1.00  1.00           C
-ATOM    331  OH  TYR    23     -22.105  -4.248 -15.249  1.00  1.00           O
-ATOM    334  HB2 TYR    23     -16.967  -2.013 -17.684  1.00  1.00           H
-ATOM    335  HB3 TYR    23     -16.722  -1.468 -16.036  1.00  1.00           H
-ATOM    336  HD1 TYR    23     -18.726  -1.331 -14.476  1.00  1.00           H
-ATOM    337  HD2 TYR    23     -18.902  -3.252 -18.294  1.00  1.00           H
-ATOM    338  HE1 TYR    23     -20.822  -2.580 -13.759  1.00  1.00           H
-ATOM    339  HE2 TYR    23     -20.997  -4.493 -17.565  1.00  1.00           H
-ATOM    340  HH  TYR    23     -22.117  -5.162 -15.654  1.00  1.00           H
-ATOM    341  N   LEU    24     -17.530   0.605 -14.980  1.00  1.00           N
-ATOM    342  CA  LEU    24     -17.912   1.301 -13.762  1.00  1.00           C
-ATOM    343  C   LEU    24     -18.207   2.765 -14.091  1.00  1.00           C
-ATOM    344  O   LEU    24     -19.259   3.288 -13.724  1.00  1.00           O
-ATOM    349  H   LEU    24     -16.733   0.006 -14.892  1.00  1.00           H
-ATOM    350  HA  LEU    24     -18.827   0.838 -13.395  1.00  1.00           H
-ATOM    345  CB  LEU    24     -16.845   1.116 -12.681  1.00  1.00           C
-ATOM    346  CG  LEU    24     -17.362   0.931 -11.253  1.00  1.00           C
-ATOM    347  CD1 LEU    24     -16.224   0.557 -10.302  1.00  1.00           C
-ATOM    348  CD2 LEU    24     -18.121   2.172 -10.780  1.00  1.00           C
-ATOM    351  HB2 LEU    24     -16.238   0.249 -12.942  1.00  1.00           H
-ATOM    352  HB3 LEU    24     -16.184   1.983 -12.698  1.00  1.00           H
-ATOM    353  HG  LEU    24     -18.069   0.102 -11.251  1.00  1.00           H
-ATOM    354 HD11 LEU    24     -15.302   1.037 -10.633  1.00  1.00           H
-ATOM    355 HD12 LEU    24     -16.468   0.894  -9.293  1.00  1.00           H
-ATOM    356 HD13 LEU    24     -16.091  -0.524 -10.302  1.00  1.00           H
-ATOM    357 HD21 LEU    24     -17.529   3.063 -10.993  1.00  1.00           H
-ATOM    358 HD22 LEU    24     -19.075   2.236 -11.303  1.00  1.00           H
-ATOM    359 HD23 LEU    24     -18.298   2.103  -9.707  1.00  1.00           H
-ATOM    360  N   LEU    25     -17.260   3.389 -14.777  1.00  1.00           N
-ATOM    361  CA  LEU    25     -17.406   4.783 -15.158  1.00  1.00           C
-ATOM    362  C   LEU    25     -18.544   4.914 -16.172  1.00  1.00           C
-ATOM    363  O   LEU    25     -18.301   5.113 -17.361  1.00  1.00           O
-ATOM    368  H   LEU    25     -16.407   2.956 -15.071  1.00  1.00           H
-ATOM    369  HA  LEU    25     -17.675   5.340 -14.261  1.00  1.00           H
-ATOM    364  CB  LEU    25     -16.072   5.344 -15.656  1.00  1.00           C
-ATOM    365  CG  LEU    25     -16.150   6.638 -16.468  1.00  1.00           C
-ATOM    366  CD1 LEU    25     -15.304   7.740 -15.829  1.00  1.00           C
-ATOM    367  CD2 LEU    25     -15.763   6.391 -17.929  1.00  1.00           C
-ATOM    370  HB2 LEU    25     -15.430   5.520 -14.792  1.00  1.00           H
-ATOM    371  HB3 LEU    25     -15.584   4.584 -16.264  1.00  1.00           H
-ATOM    372  HG  LEU    25     -17.185   6.981 -16.465  1.00  1.00           H
-ATOM    373 HD11 LEU    25     -14.676   7.310 -15.049  1.00  1.00           H
-ATOM    374 HD12 LEU    25     -14.673   8.201 -16.590  1.00  1.00           H
-ATOM    375 HD13 LEU    25     -15.959   8.495 -15.394  1.00  1.00           H
-ATOM    376 HD21 LEU    25     -15.591   5.325 -18.084  1.00  1.00           H
-ATOM    377 HD22 LEU    25     -16.569   6.729 -18.580  1.00  1.00           H
-ATOM    378 HD23 LEU    25     -14.851   6.943 -18.161  1.00  1.00           H
-ATOM    379  N   SER    26     -19.762   4.796 -15.665  1.00  1.00           N
-ATOM    380  CA  SER    26     -20.938   4.899 -16.510  1.00  1.00           C
-ATOM    381  C   SER    26     -21.521   6.312 -16.429  1.00  1.00           C
-ATOM    382  O   SER    26     -22.177   6.660 -15.450  1.00  1.00           O
-ATOM    385  H   SER    26     -19.951   4.635 -14.696  1.00  1.00           H
-ATOM    386  HA  SER    26     -20.587   4.688 -17.521  1.00  1.00           H
-ATOM    383  CB  SER    26     -21.995   3.867 -16.113  1.00  1.00           C
-ATOM    384  OG  SER    26     -23.056   3.796 -17.061  1.00  1.00           O
-ATOM    387  HB2 SER    26     -21.527   2.886 -16.019  1.00  1.00           H
-ATOM    388  HB3 SER    26     -22.400   4.121 -15.133  1.00  1.00           H
-ATOM    389  HG  SER    26     -22.951   2.984 -17.633  1.00  1.00           H
-ATOM    390  N   SER    27     -21.257   7.087 -17.471  1.00  1.00           N
-ATOM    391  CA  SER    27     -21.746   8.454 -17.529  1.00  1.00           C
-ATOM    392  C   SER    27     -21.117   9.283 -16.407  1.00  1.00           C
-ATOM    393  O   SER    27     -20.059   9.883 -16.594  1.00  1.00           O
-ATOM    396  H   SER    27     -20.721   6.795 -18.263  1.00  1.00           H
-ATOM    397  HA  SER    27     -21.436   8.830 -18.504  1.00  1.00           H
-ATOM    394  CB  SER    27     -23.272   8.497 -17.429  1.00  1.00           C
-ATOM    395  OG  SER    27     -23.762   9.831 -17.309  1.00  1.00           O
-ATOM    398  HB2 SER    27     -23.707   8.029 -18.312  1.00  1.00           H
-ATOM    399  HB3 SER    27     -23.595   7.914 -16.567  1.00  1.00           H
-ATOM    400  HG  SER    27     -23.246  10.323 -16.609  1.00  1.00           H
-ATOM    401  N   GLY    28     -21.794   9.290 -15.269  1.00  1.00           N
-ATOM    402  CA  GLY    28     -21.314  10.037 -14.118  1.00  1.00           C
-ATOM    403  C   GLY    28     -21.032  11.495 -14.488  1.00  1.00           C
-ATOM    404  O   GLY    28     -21.948  12.314 -14.535  1.00  1.00           O
-ATOM    405  H   GLY    28     -22.652   8.800 -15.126  1.00  1.00           H
-ATOM    406  HA2 GLY    28     -22.055   9.996 -13.320  1.00  1.00           H
-ATOM    407  HA3 GLY    28     -20.405   9.572 -13.734  1.00  1.00           H
-ATOM    408  N   ILE    29     -19.761  11.772 -14.741  1.00  1.00           N
-ATOM    409  CA  ILE    29     -19.347  13.116 -15.106  1.00  1.00           C
-ATOM    410  C   ILE    29     -18.920  13.133 -16.574  1.00  1.00           C
-ATOM    411  O   ILE    29     -18.497  12.111 -17.113  1.00  1.00           O
-ATOM    416  H   ILE    29     -19.023  11.099 -14.702  1.00  1.00           H
-ATOM    417  HA  ILE    29     -20.213  13.767 -14.991  1.00  1.00           H
-ATOM    412  CB  ILE    29     -18.270  13.623 -14.145  1.00  1.00           C
-ATOM    413  CG1 ILE    29     -17.819  12.516 -13.191  1.00  1.00           C
-ATOM    414  CG2 ILE    29     -18.747  14.868 -13.394  1.00  1.00           C
-ATOM    415  CD1 ILE    29     -16.777  13.036 -12.200  1.00  1.00           C
-ATOM    418  HB  ILE    29     -17.400  13.916 -14.732  1.00  1.00           H
-ATOM    419 HG12 ILE    29     -18.682  12.127 -12.648  1.00  1.00           H
-ATOM    420 HG13 ILE    29     -17.402  11.687 -13.762  1.00  1.00           H
-ATOM    421 HG21 ILE    29     -19.782  15.082 -13.664  1.00  1.00           H
-ATOM    422 HG22 ILE    29     -18.680  14.692 -12.320  1.00  1.00           H
-ATOM    423 HG23 ILE    29     -18.119  15.718 -13.664  1.00  1.00           H
-ATOM    424 HD11 ILE    29     -16.050  13.653 -12.728  1.00  1.00           H
-ATOM    425 HD12 ILE    29     -17.270  13.632 -11.432  1.00  1.00           H
-ATOM    426 HD13 ILE    29     -16.266  12.192 -11.733  1.00  1.00           H
-ATOM    427  N   ASN    30     -19.044  14.304 -17.180  1.00  1.00           N
-ATOM    428  CA  ASN    30     -18.675  14.467 -18.576  1.00  1.00           C
-ATOM    429  C   ASN    30     -17.152  14.538 -18.692  1.00  1.00           C
-ATOM    430  O   ASN    30     -16.614  14.662 -19.791  1.00  1.00           O
-ATOM    435  H   ASN    30     -19.388  15.131 -16.734  1.00  1.00           H
-ATOM    436  HA  ASN    30     -19.093  13.600 -19.086  1.00  1.00           H
-ATOM    431  CB  ASN    30     -19.253  15.764 -19.150  1.00  1.00           C
-ATOM    432  CG  ASN    30     -20.781  15.760 -19.080  1.00  1.00           C
-ATOM    433  OD1 ASN    30     -21.466  15.189 -19.914  1.00  1.00           O
-ATOM    434  ND2 ASN    30     -21.277  16.429 -18.043  1.00  1.00           N
-ATOM    437  HB2 ASN    30     -18.862  16.617 -18.597  1.00  1.00           H
-ATOM    438  HB3 ASN    30     -18.933  15.881 -20.185  1.00  1.00           H
-ATOM    439 HD21 ASN    30     -20.660  16.876 -17.395  1.00  1.00           H
-ATOM    440 HD22 ASN    30     -22.267  16.485 -17.911  1.00  1.00           H
-ATOM    441  N   GLY    31     -16.499  14.456 -17.543  1.00  1.00           N
-ATOM    442  CA  GLY    31     -15.047  14.508 -17.501  1.00  1.00           C
-ATOM    443  C   GLY    31     -14.519  14.009 -16.155  1.00  1.00           C
-ATOM    444  O   GLY    31     -14.727  14.649 -15.125  1.00  1.00           O
-ATOM    445  H   GLY    31     -16.944  14.356 -16.652  1.00  1.00           H
-ATOM    446  HA2 GLY    31     -14.634  13.899 -18.305  1.00  1.00           H
-ATOM    447  HA3 GLY    31     -14.711  15.530 -17.671  1.00  1.00           H
-ATOM    448  N   SER    32     -13.844  12.870 -16.205  1.00  1.00           N
-ATOM    449  CA  SER    32     -13.283  12.278 -15.003  1.00  1.00           C
-ATOM    450  C   SER    32     -12.071  11.415 -15.359  1.00  1.00           C
-ATOM    451  O   SER    32     -12.063  10.748 -16.393  1.00  1.00           O
-ATOM    454  H   SER    32     -13.677  12.356 -17.047  1.00  1.00           H
-ATOM    455  HA  SER    32     -12.982  13.120 -14.380  1.00  1.00           H
-ATOM    452  CB  SER    32     -14.329  11.445 -14.261  1.00  1.00           C
-ATOM    453  OG  SER    32     -14.425  11.808 -12.886  1.00  1.00           O
-ATOM    456  HB2 SER    32     -15.301  11.572 -14.738  1.00  1.00           H
-ATOM    457  HB3 SER    32     -14.073  10.387 -14.339  1.00  1.00           H
-ATOM    458  HG  SER    32     -13.545  12.155 -12.561  1.00  1.00           H
-ATOM    459  N   PHE    33     -11.077  11.455 -14.485  1.00  1.00           N
-ATOM    460  CA  PHE    33      -9.864  10.685 -14.695  1.00  1.00           C
-ATOM    461  C   PHE    33      -9.597   9.748 -13.514  1.00  1.00           C
-ATOM    462  O   PHE    33     -10.110   9.966 -12.417  1.00  1.00           O
-ATOM    470  H   PHE    33     -11.092  12.001 -13.646  1.00  1.00           H
-ATOM    471  HA  PHE    33     -10.009  10.094 -15.599  1.00  1.00           H
-ATOM    463  CB  PHE    33      -8.711  11.686 -14.806  1.00  1.00           C
-ATOM    464  CG  PHE    33      -8.969  12.821 -15.799  1.00  1.00           C
-ATOM    465  CD1 PHE    33     -10.082  13.592 -15.678  1.00  1.00           C
-ATOM    466  CD2 PHE    33      -8.082  13.059 -16.803  1.00  1.00           C
-ATOM    467  CE1 PHE    33     -10.320  14.647 -16.599  1.00  1.00           C
-ATOM    468  CE2 PHE    33      -8.319  14.113 -17.725  1.00  1.00           C
-ATOM    469  CZ  PHE    33      -9.433  14.884 -17.604  1.00  1.00           C
-ATOM    472  HB2 PHE    33      -8.519  12.114 -13.822  1.00  1.00           H
-ATOM    473  HB3 PHE    33      -7.808  11.153 -15.103  1.00  1.00           H
-ATOM    474  HD1 PHE    33     -10.792  13.401 -14.873  1.00  1.00           H
-ATOM    475  HD2 PHE    33      -7.190  12.441 -16.900  1.00  1.00           H
-ATOM    476  HE1 PHE    33     -11.212  15.264 -16.503  1.00  1.00           H
-ATOM    477  HE2 PHE    33      -7.609  14.304 -18.530  1.00  1.00           H
-ATOM    478  HZ  PHE    33      -9.615  15.693 -18.312  1.00  1.00           H
-ATOM    479  N   LEU    34      -8.795   8.727 -13.779  1.00  1.00           N
-ATOM    480  CA  LEU    34      -8.455   7.757 -12.752  1.00  1.00           C
-ATOM    481  C   LEU    34      -7.121   7.095 -13.105  1.00  1.00           C
-ATOM    482  O   LEU    34      -6.935   6.625 -14.226  1.00  1.00           O
-ATOM    487  H   LEU    34      -8.383   8.558 -14.675  1.00  1.00           H
-ATOM    488  HA  LEU    34      -8.334   8.301 -11.816  1.00  1.00           H
-ATOM    483  CB  LEU    34      -9.601   6.763 -12.554  1.00  1.00           C
-ATOM    484  CG  LEU    34     -10.657   6.727 -13.660  1.00  1.00           C
-ATOM    485  CD1 LEU    34     -11.119   5.294 -13.930  1.00  1.00           C
-ATOM    486  CD2 LEU    34     -11.829   7.654 -13.330  1.00  1.00           C
-ATOM    489  HB2 LEU    34      -9.175   5.765 -12.452  1.00  1.00           H
-ATOM    490  HB3 LEU    34     -10.098   6.996 -11.612  1.00  1.00           H
-ATOM    491  HG  LEU    34     -10.203   7.098 -14.579  1.00  1.00           H
-ATOM    492 HD11 LEU    34     -11.409   4.822 -12.991  1.00  1.00           H
-ATOM    493 HD12 LEU    34     -11.973   5.309 -14.608  1.00  1.00           H
-ATOM    494 HD13 LEU    34     -10.304   4.728 -14.385  1.00  1.00           H
-ATOM    495 HD21 LEU    34     -11.626   8.178 -12.395  1.00  1.00           H
-ATOM    496 HD22 LEU    34     -11.954   8.381 -14.134  1.00  1.00           H
-ATOM    497 HD23 LEU    34     -12.740   7.065 -13.226  1.00  1.00           H
-ATOM    498  N   VAL    35      -6.228   7.080 -12.126  1.00  1.00           N
-ATOM    499  CA  VAL    35      -4.917   6.484 -12.319  1.00  1.00           C
-ATOM    500  C   VAL    35      -4.985   4.993 -11.981  1.00  1.00           C
-ATOM    501  O   VAL    35      -5.729   4.588 -11.090  1.00  1.00           O
-ATOM    505  H   VAL    35      -6.388   7.465 -11.217  1.00  1.00           H
-ATOM    506  HA  VAL    35      -4.658   6.593 -13.371  1.00  1.00           H
-ATOM    502  CB  VAL    35      -3.873   7.237 -11.493  1.00  1.00           C
-ATOM    503  CG1 VAL    35      -2.476   6.653 -11.710  1.00  1.00           C
-ATOM    504  CG2 VAL    35      -3.897   8.733 -11.810  1.00  1.00           C
-ATOM    507  HB  VAL    35      -4.127   7.114 -10.439  1.00  1.00           H
-ATOM    508 HG11 VAL    35      -2.562   5.656 -12.142  1.00  1.00           H
-ATOM    509 HG12 VAL    35      -1.915   7.295 -12.388  1.00  1.00           H
-ATOM    510 HG13 VAL    35      -1.955   6.591 -10.754  1.00  1.00           H
-ATOM    511 HG21 VAL    35      -4.886   9.135 -11.590  1.00  1.00           H
-ATOM    512 HG22 VAL    35      -3.153   9.247 -11.203  1.00  1.00           H
-ATOM    513 HG23 VAL    35      -3.670   8.885 -12.866  1.00  1.00           H
-ATOM    514  N   ARG    36      -4.197   4.217 -12.712  1.00  1.00           N
-ATOM    515  CA  ARG    36      -4.159   2.780 -12.500  1.00  1.00           C
-ATOM    516  C   ARG    36      -2.714   2.307 -12.331  1.00  1.00           C
-ATOM    517  O   ARG    36      -1.790   3.118 -12.305  1.00  1.00           O
-ATOM    525  H   ARG    36      -3.594   4.554 -13.435  1.00  1.00           H
-ATOM    526  HA  ARG    36      -4.734   2.617 -11.589  1.00  1.00           H
-ATOM    518  CB  ARG    36      -4.799   2.034 -13.672  1.00  1.00           C
-ATOM    519  CG  ARG    36      -5.168   2.999 -14.801  1.00  1.00           C
-ATOM    520  CD  ARG    36      -6.147   2.349 -15.780  1.00  1.00           C
-ATOM    521  NE  ARG    36      -6.316   3.207 -16.974  1.00  1.00           N
-ATOM    522  CZ  ARG    36      -7.331   3.098 -17.841  1.00  1.00           C
-ATOM    523  NH1 ARG    36      -8.276   2.167 -17.653  1.00  1.00           N
-ATOM    524  NH2 ARG    36      -7.403   3.920 -18.896  1.00  1.00           N
-ATOM    527  HB2 ARG    36      -4.109   1.278 -14.048  1.00  1.00           H
-ATOM    528  HB3 ARG    36      -5.690   1.509 -13.332  1.00  1.00           H
-ATOM    529  HG2 ARG    36      -5.613   3.901 -14.382  1.00  1.00           H
-ATOM    530  HG3 ARG    36      -4.267   3.306 -15.333  1.00  1.00           H
-ATOM    531  HD2 ARG    36      -5.779   1.367 -16.078  1.00  1.00           H
-ATOM    532  HD3 ARG    36      -7.112   2.194 -15.294  1.00  1.00           H
-ATOM    533  HE  ARG    36      -5.629   3.914 -17.143  1.00  1.00           H
-ATOM    534 HH11 ARG    36      -8.221   1.552 -16.866  1.00  1.00           H
-ATOM    535 HH12 ARG    36      -9.033   2.085 -18.301  1.00  1.00           H
-ATOM    536 HH21 ARG    36      -6.699   4.617 -19.036  1.00  1.00           H
-ATOM    537 HH22 ARG    36      -8.160   3.840 -19.544  1.00  1.00           H
-ATOM    538  N   GLU    37      -2.563   0.996 -12.220  1.00  1.00           N
-ATOM    539  CA  GLU    37      -1.247   0.405 -12.053  1.00  1.00           C
-ATOM    540  C   GLU    37      -1.164  -0.927 -12.801  1.00  1.00           C
-ATOM    541  O   GLU    37      -2.057  -1.765 -12.683  1.00  1.00           O
-ATOM    547  H   GLU    37      -3.320   0.342 -12.240  1.00  1.00           H
-ATOM    548  HA  GLU    37      -0.551   1.118 -12.492  1.00  1.00           H
-ATOM    542  CB  GLU    37      -0.910   0.224 -10.571  1.00  1.00           C
-ATOM    543  CG  GLU    37       0.143  -0.869 -10.378  1.00  1.00           C
-ATOM    544  CD  GLU    37       1.060  -0.545  -9.198  1.00  1.00           C
-ATOM    545  OE1 GLU    37       0.663  -0.883  -8.061  1.00  1.00           O
-ATOM    546  OE2 GLU    37       2.137   0.036  -9.457  1.00  1.00           O
-ATOM    549  HB2 GLU    37      -0.543   1.164 -10.160  1.00  1.00           H
-ATOM    550  HB3 GLU    37      -1.813  -0.035 -10.018  1.00  1.00           H
-ATOM    551  HG2 GLU    37      -0.348  -1.827 -10.208  1.00  1.00           H
-ATOM    552  HG3 GLU    37       0.737  -0.971 -11.287  1.00  1.00           H
-ATOM    553  N   SER    38      -0.085  -1.082 -13.553  1.00  1.00           N
-ATOM    554  CA  SER    38       0.127  -2.298 -14.320  1.00  1.00           C
-ATOM    555  C   SER    38       0.566  -3.433 -13.391  1.00  1.00           C
-ATOM    556  O   SER    38       0.846  -3.204 -12.216  1.00  1.00           O
-ATOM    559  H   SER    38       0.637  -0.396 -13.643  1.00  1.00           H
-ATOM    560  HA  SER    38      -0.839  -2.524 -14.771  1.00  1.00           H
-ATOM    557  CB  SER    38       1.166  -2.081 -15.421  1.00  1.00           C
-ATOM    558  OG  SER    38       1.202  -3.168 -16.343  1.00  1.00           O
-ATOM    561  HB2 SER    38       0.940  -1.158 -15.957  1.00  1.00           H
-ATOM    562  HB3 SER    38       2.151  -1.956 -14.971  1.00  1.00           H
-ATOM    563  HG  SER    38       2.138  -3.312 -16.664  1.00  1.00           H
-ATOM    564  N   GLU    39       0.610  -4.631 -13.955  1.00  1.00           N
-ATOM    565  CA  GLU    39       1.011  -5.801 -13.193  1.00  1.00           C
-ATOM    566  C   GLU    39       2.400  -6.269 -13.628  1.00  1.00           C
-ATOM    567  O   GLU    39       2.842  -5.969 -14.736  1.00  1.00           O
-ATOM    573  H   GLU    39       0.381  -4.809 -14.912  1.00  1.00           H
-ATOM    574  HA  GLU    39       1.040  -5.474 -12.153  1.00  1.00           H
-ATOM    568  CB  GLU    39      -0.016  -6.926 -13.335  1.00  1.00           C
-ATOM    569  CG  GLU    39       0.072  -7.902 -12.160  1.00  1.00           C
-ATOM    570  CD  GLU    39       0.475  -7.178 -10.875  1.00  1.00           C
-ATOM    571  OE1 GLU    39       1.698  -7.070 -10.643  1.00  1.00           O
-ATOM    572  OE2 GLU    39      -0.451  -6.748 -10.152  1.00  1.00           O
-ATOM    575  HB2 GLU    39      -1.019  -6.503 -13.385  1.00  1.00           H
-ATOM    576  HB3 GLU    39       0.152  -7.460 -14.270  1.00  1.00           H
-ATOM    577  HG2 GLU    39      -0.889  -8.395 -12.019  1.00  1.00           H
-ATOM    578  HG3 GLU    39       0.800  -8.683 -12.386  1.00  1.00           H
-ATOM    579  N   SER    40       3.052  -6.998 -12.734  1.00  1.00           N
-ATOM    580  CA  SER    40       4.383  -7.511 -13.012  1.00  1.00           C
-ATOM    581  C   SER    40       5.219  -6.440 -13.716  1.00  1.00           C
-ATOM    582  O   SER    40       5.862  -6.715 -14.729  1.00  1.00           O
-ATOM    585  H   SER    40       2.687  -7.238 -11.836  1.00  1.00           H
-ATOM    586  HA  SER    40       4.809  -7.751 -12.039  1.00  1.00           H
-ATOM    583  CB  SER    40       4.317  -8.779 -13.865  1.00  1.00           C
-ATOM    584  OG  SER    40       3.891  -8.506 -15.198  1.00  1.00           O
-ATOM    587  HB2 SER    40       5.299  -9.252 -13.888  1.00  1.00           H
-ATOM    588  HB3 SER    40       3.632  -9.490 -13.405  1.00  1.00           H
-ATOM    589  HG  SER    40       3.070  -9.035 -15.410  1.00  1.00           H
-ATOM    590  N   SER    41       5.185  -5.242 -13.153  1.00  1.00           N
-ATOM    591  CA  SER    41       5.932  -4.129 -13.713  1.00  1.00           C
-ATOM    592  C   SER    41       6.975  -3.639 -12.708  1.00  1.00           C
-ATOM    593  O   SER    41       6.845  -3.877 -11.508  1.00  1.00           O
-ATOM    596  H   SER    41       4.660  -5.026 -12.329  1.00  1.00           H
-ATOM    597  HA  SER    41       6.416  -4.527 -14.604  1.00  1.00           H
-ATOM    594  CB  SER    41       4.998  -2.984 -14.110  1.00  1.00           C
-ATOM    595  OG  SER    41       3.735  -3.075 -13.459  1.00  1.00           O
-ATOM    598  HB2 SER    41       5.466  -2.031 -13.859  1.00  1.00           H
-ATOM    599  HB3 SER    41       4.851  -2.993 -15.190  1.00  1.00           H
-ATOM    600  HG  SER    41       3.858  -3.068 -12.467  1.00  1.00           H
-ATOM    601  N   PRO    42       8.013  -2.946 -13.247  1.00  1.00           N
-ATOM    602  CA  PRO    42       9.078  -2.420 -12.410  1.00  1.00           C
-ATOM    603  C   PRO    42       8.609  -1.185 -11.638  1.00  1.00           C
-ATOM    604  O   PRO    42       9.384  -0.582 -10.895  1.00  1.00           O
-ATOM    608  HA  PRO    42       9.339  -3.092 -11.718  1.00  1.00           H
-ATOM    605  CB  PRO    42      10.222  -2.124 -13.367  1.00  1.00           C
-ATOM    606  CG  PRO    42       9.597  -2.054 -14.752  1.00  1.00           C
-ATOM    607  CD  PRO    42       8.199  -2.644 -14.664  1.00  1.00           C
-ATOM    609  HB2 PRO    42      10.710  -1.184 -13.112  1.00  1.00           H
-ATOM    610  HB3 PRO    42      10.981  -2.902 -13.320  1.00  1.00           H
-ATOM    611  HG2 PRO    42       9.555  -1.023 -15.101  1.00  1.00           H
-ATOM    612  HG3 PRO    42      10.200  -2.610 -15.471  1.00  1.00           H
-ATOM    613  HD2 PRO    42       7.449  -1.939 -15.021  1.00  1.00           H
-ATOM    614  HD3 PRO    42       8.109  -3.543 -15.274  1.00  1.00           H
-ATOM    615  N   GLY    43       7.344  -0.845 -11.838  1.00  1.00           N
-ATOM    616  CA  GLY    43       6.764   0.307 -11.170  1.00  1.00           C
-ATOM    617  C   GLY    43       6.150   1.276 -12.182  1.00  1.00           C
-ATOM    618  O   GLY    43       6.414   2.476 -12.136  1.00  1.00           O
-ATOM    619  H   GLY    43       6.722  -1.341 -12.444  1.00  1.00           H
-ATOM    620  HA2 GLY    43       5.999  -0.024 -10.467  1.00  1.00           H
-ATOM    621  HA3 GLY    43       7.531   0.820 -10.589  1.00  1.00           H
-ATOM    622  N   GLN    44       5.342   0.718 -13.072  1.00  1.00           N
-ATOM    623  CA  GLN    44       4.688   1.519 -14.093  1.00  1.00           C
-ATOM    624  C   GLN    44       3.216   1.731 -13.739  1.00  1.00           C
-ATOM    625  O   GLN    44       2.574   0.846 -13.173  1.00  1.00           O
-ATOM    631  H   GLN    44       5.133  -0.259 -13.102  1.00  1.00           H
-ATOM    632  HA  GLN    44       5.212   2.474 -14.092  1.00  1.00           H
-ATOM    626  CB  GLN    44       4.832   0.870 -15.473  1.00  1.00           C
-ATOM    627  CG  GLN    44       6.065  -0.032 -15.528  1.00  1.00           C
-ATOM    628  CD  GLN    44       6.949   0.319 -16.727  1.00  1.00           C
-ATOM    629  OE1 GLN    44       7.051  -0.418 -17.694  1.00  1.00           O
-ATOM    630  NE2 GLN    44       7.580   1.483 -16.610  1.00  1.00           N
-ATOM    633  HB2 GLN    44       3.939   0.288 -15.699  1.00  1.00           H
-ATOM    634  HB3 GLN    44       4.909   1.645 -16.235  1.00  1.00           H
-ATOM    635  HG2 GLN    44       6.638   0.072 -14.606  1.00  1.00           H
-ATOM    636  HG3 GLN    44       5.755  -1.075 -15.595  1.00  1.00           H
-ATOM    637 HE21 GLN    44       7.453   2.042 -15.791  1.00  1.00           H
-ATOM    638 HE22 GLN    44       8.182   1.802 -17.344  1.00  1.00           H
-ATOM    639  N   ARG    45       2.720   2.910 -14.087  1.00  1.00           N
-ATOM    640  CA  ARG    45       1.334   3.249 -13.812  1.00  1.00           C
-ATOM    641  C   ARG    45       0.628   3.678 -15.101  1.00  1.00           C
-ATOM    642  O   ARG    45       1.278   4.057 -16.073  1.00  1.00           O
-ATOM    650  H   ARG    45       3.247   3.624 -14.548  1.00  1.00           H
-ATOM    651  HA  ARG    45       0.897   2.336 -13.411  1.00  1.00           H
-ATOM    643  CB  ARG    45       1.238   4.380 -12.787  1.00  1.00           C
-ATOM    644  CG  ARG    45       1.020   3.825 -11.378  1.00  1.00           C
-ATOM    645  CD  ARG    45       2.298   3.181 -10.837  1.00  1.00           C
-ATOM    646  NE  ARG    45       3.364   4.201 -10.712  1.00  1.00           N
-ATOM    647  CZ  ARG    45       4.393   4.110  -9.861  1.00  1.00           C
-ATOM    648  NH1 ARG    45       4.504   3.045  -9.053  1.00  1.00           N
-ATOM    649  NH2 ARG    45       5.313   5.083  -9.815  1.00  1.00           N
-ATOM    652  HB2 ARG    45       2.152   4.976 -12.809  1.00  1.00           H
-ATOM    653  HB3 ARG    45       0.416   5.047 -13.049  1.00  1.00           H
-ATOM    654  HG2 ARG    45       0.702   4.627 -10.711  1.00  1.00           H
-ATOM    655  HG3 ARG    45       0.216   3.088 -11.394  1.00  1.00           H
-ATOM    656  HD2 ARG    45       2.104   2.725  -9.866  1.00  1.00           H
-ATOM    657  HD3 ARG    45       2.624   2.384 -11.505  1.00  1.00           H
-ATOM    658  HE  ARG    45       3.311   5.008 -11.300  1.00  1.00           H
-ATOM    659 HH11 ARG    45       3.818   2.319  -9.087  1.00  1.00           H
-ATOM    660 HH12 ARG    45       5.272   2.978  -8.417  1.00  1.00           H
-ATOM    661 HH21 ARG    45       5.232   5.877 -10.416  1.00  1.00           H
-ATOM    662 HH22 ARG    45       6.082   5.016  -9.180  1.00  1.00           H
-ATOM    663  N   SER    46      -0.695   3.603 -15.065  1.00  1.00           N
-ATOM    664  CA  SER    46      -1.497   3.978 -16.217  1.00  1.00           C
-ATOM    665  C   SER    46      -2.409   5.152 -15.860  1.00  1.00           C
-ATOM    666  O   SER    46      -2.457   5.577 -14.706  1.00  1.00           O
-ATOM    669  H   SER    46      -1.216   3.293 -14.270  1.00  1.00           H
-ATOM    670  HA  SER    46      -0.780   4.270 -16.985  1.00  1.00           H
-ATOM    667  CB  SER    46      -2.326   2.795 -16.720  1.00  1.00           C
-ATOM    668  OG  SER    46      -2.479   1.788 -15.723  1.00  1.00           O
-ATOM    671  HB2 SER    46      -3.309   3.148 -17.033  1.00  1.00           H
-ATOM    672  HB3 SER    46      -1.848   2.364 -17.600  1.00  1.00           H
-ATOM    673  HG  SER    46      -2.656   2.211 -14.834  1.00  1.00           H
-ATOM    674  N   ILE    47      -3.113   5.644 -16.870  1.00  1.00           N
-ATOM    675  CA  ILE    47      -4.021   6.761 -16.677  1.00  1.00           C
-ATOM    676  C   ILE    47      -5.350   6.459 -17.373  1.00  1.00           C
-ATOM    677  O   ILE    47      -5.367   6.032 -18.528  1.00  1.00           O
-ATOM    682  H   ILE    47      -3.068   5.291 -17.806  1.00  1.00           H
-ATOM    683  HA  ILE    47      -4.205   6.851 -15.606  1.00  1.00           H
-ATOM    678  CB  ILE    47      -3.371   8.068 -17.135  1.00  1.00           C
-ATOM    679  CG1 ILE    47      -2.890   8.889 -15.938  1.00  1.00           C
-ATOM    680  CG2 ILE    47      -4.316   8.864 -18.036  1.00  1.00           C
-ATOM    681  CD1 ILE    47      -4.073   9.449 -15.147  1.00  1.00           C
-ATOM    684  HB  ILE    47      -2.491   7.819 -17.729  1.00  1.00           H
-ATOM    685 HG12 ILE    47      -2.275   8.266 -15.287  1.00  1.00           H
-ATOM    686 HG13 ILE    47      -2.258   9.708 -16.284  1.00  1.00           H
-ATOM    687 HG21 ILE    47      -5.325   8.822 -17.629  1.00  1.00           H
-ATOM    688 HG22 ILE    47      -3.985   9.902 -18.082  1.00  1.00           H
-ATOM    689 HG23 ILE    47      -4.309   8.436 -19.038  1.00  1.00           H
-ATOM    690 HD11 ILE    47      -4.778   9.921 -15.832  1.00  1.00           H
-ATOM    691 HD12 ILE    47      -4.571   8.638 -14.614  1.00  1.00           H
-ATOM    692 HD13 ILE    47      -3.714  10.188 -14.431  1.00  1.00           H
-ATOM    693  N   SER    48      -6.430   6.689 -16.642  1.00  1.00           N
-ATOM    694  CA  SER    48      -7.759   6.446 -17.176  1.00  1.00           C
-ATOM    695  C   SER    48      -8.567   7.746 -17.179  1.00  1.00           C
-ATOM    696  O   SER    48      -9.087   8.162 -16.144  1.00  1.00           O
-ATOM    699  H   SER    48      -6.408   7.035 -15.704  1.00  1.00           H
-ATOM    700  HA  SER    48      -7.603   6.092 -18.194  1.00  1.00           H
-ATOM    697  CB  SER    48      -8.490   5.371 -16.368  1.00  1.00           C
-ATOM    698  OG  SER    48      -7.615   4.695 -15.468  1.00  1.00           O
-ATOM    701  HB2 SER    48      -9.304   5.829 -15.807  1.00  1.00           H
-ATOM    702  HB3 SER    48      -8.940   4.649 -17.050  1.00  1.00           H
-ATOM    703  HG  SER    48      -6.670   4.781 -15.779  1.00  1.00           H
-ATOM    704  N   LEU    49      -8.646   8.353 -18.354  1.00  1.00           N
-ATOM    705  CA  LEU    49      -9.381   9.596 -18.507  1.00  1.00           C
-ATOM    706  C   LEU    49     -10.724   9.311 -19.184  1.00  1.00           C
-ATOM    707  O   LEU    49     -10.871   8.309 -19.881  1.00  1.00           O
-ATOM    712  H   LEU    49      -8.221   8.008 -19.192  1.00  1.00           H
-ATOM    713  HA  LEU    49      -9.574   9.987 -17.508  1.00  1.00           H
-ATOM    708  CB  LEU    49      -8.532  10.635 -19.241  1.00  1.00           C
-ATOM    709  CG  LEU    49      -9.178  11.288 -20.466  1.00  1.00           C
-ATOM    710  CD1 LEU    49     -10.146  12.396 -20.048  1.00  1.00           C
-ATOM    711  CD2 LEU    49      -8.114  11.793 -21.443  1.00  1.00           C
-ATOM    714  HB2 LEU    49      -8.263  11.421 -18.535  1.00  1.00           H
-ATOM    715  HB3 LEU    49      -7.603  10.158 -19.556  1.00  1.00           H
-ATOM    716  HG  LEU    49      -9.761  10.530 -20.987  1.00  1.00           H
-ATOM    717 HD11 LEU    49     -10.038  12.591 -18.980  1.00  1.00           H
-ATOM    718 HD12 LEU    49      -9.921  13.305 -20.607  1.00  1.00           H
-ATOM    719 HD13 LEU    49     -11.169  12.084 -20.259  1.00  1.00           H
-ATOM    720 HD21 LEU    49      -7.413  12.437 -20.914  1.00  1.00           H
-ATOM    721 HD22 LEU    49      -7.579  10.943 -21.868  1.00  1.00           H
-ATOM    722 HD23 LEU    49      -8.595  12.357 -22.242  1.00  1.00           H
-ATOM    723  N   ARG    50     -11.670  10.211 -18.952  1.00  1.00           N
-ATOM    724  CA  ARG    50     -12.994  10.068 -19.533  1.00  1.00           C
-ATOM    725  C   ARG    50     -13.486  11.413 -20.070  1.00  1.00           C
-ATOM    726  O   ARG    50     -13.314  12.446 -19.424  1.00  1.00           O
-ATOM    734  H   ARG    50     -11.542  11.023 -18.384  1.00  1.00           H
-ATOM    735  HA  ARG    50     -12.870   9.345 -20.338  1.00  1.00           H
-ATOM    727  CB  ARG    50     -13.993   9.545 -18.498  1.00  1.00           C
-ATOM    728  CG  ARG    50     -15.417   9.551 -19.058  1.00  1.00           C
-ATOM    729  CD  ARG    50     -16.260  10.647 -18.403  1.00  1.00           C
-ATOM    730  NE  ARG    50     -17.496  10.870 -19.184  1.00  1.00           N
-ATOM    731  CZ  ARG    50     -18.514  10.001 -19.246  1.00  1.00           C
-ATOM    732  NH1 ARG    50     -18.448   8.844 -18.573  1.00  1.00           N
-ATOM    733  NH2 ARG    50     -19.597  10.287 -19.980  1.00  1.00           N
-ATOM    736  HB2 ARG    50     -13.719   8.532 -18.203  1.00  1.00           H
-ATOM    737  HB3 ARG    50     -13.950  10.161 -17.601  1.00  1.00           H
-ATOM    738  HG2 ARG    50     -15.386   9.708 -20.136  1.00  1.00           H
-ATOM    739  HG3 ARG    50     -15.883   8.581 -18.891  1.00  1.00           H
-ATOM    740  HD2 ARG    50     -16.513  10.360 -17.382  1.00  1.00           H
-ATOM    741  HD3 ARG    50     -15.685  11.571 -18.342  1.00  1.00           H
-ATOM    742  HE  ARG    50     -17.578  11.724 -19.699  1.00  1.00           H
-ATOM    743 HH11 ARG    50     -17.640   8.630 -18.024  1.00  1.00           H
-ATOM    744 HH12 ARG    50     -19.207   8.194 -18.619  1.00  1.00           H
-ATOM    745 HH21 ARG    50     -19.646  11.151 -20.483  1.00  1.00           H
-ATOM    746 HH22 ARG    50     -20.357   9.637 -20.027  1.00  1.00           H
-ATOM    747  N   TYR    51     -14.089  11.358 -21.248  1.00  1.00           N
-ATOM    748  CA  TYR    51     -14.606  12.560 -21.882  1.00  1.00           C
-ATOM    749  C   TYR    51     -16.115  12.453 -22.110  1.00  1.00           C
-ATOM    750  O   TYR    51     -16.865  12.142 -21.186  1.00  1.00           O
-ATOM    759  H   TYR    51     -14.225  10.514 -21.768  1.00  1.00           H
-ATOM    760  HA  TYR    51     -14.405  13.401 -21.220  1.00  1.00           H
-ATOM    751  CB  TYR    51     -13.904  12.658 -23.237  1.00  1.00           C
-ATOM    752  CG  TYR    51     -13.827  14.080 -23.796  1.00  1.00           C
-ATOM    753  CD1 TYR    51     -13.313  15.100 -23.021  1.00  1.00           C
-ATOM    754  CD2 TYR    51     -14.272  14.345 -25.076  1.00  1.00           C
-ATOM    755  CE1 TYR    51     -13.242  16.438 -23.546  1.00  1.00           C
-ATOM    756  CE2 TYR    51     -14.200  15.682 -25.602  1.00  1.00           C
-ATOM    757  CZ  TYR    51     -13.689  16.663 -24.812  1.00  1.00           C
-ATOM    758  OH  TYR    51     -13.621  17.928 -25.309  1.00  1.00           O
-ATOM    761  HB2 TYR    51     -12.893  12.262 -23.140  1.00  1.00           H
-ATOM    762  HB3 TYR    51     -14.427  12.025 -23.953  1.00  1.00           H
-ATOM    763  HD1 TYR    51     -12.963  14.893 -22.009  1.00  1.00           H
-ATOM    764  HD2 TYR    51     -14.677  13.539 -25.688  1.00  1.00           H
-ATOM    765  HE1 TYR    51     -12.839  17.253 -22.945  1.00  1.00           H
-ATOM    766  HE2 TYR    51     -14.547  15.904 -26.610  1.00  1.00           H
-ATOM    767  HH  TYR    51     -12.763  18.053 -25.808  1.00  1.00           H
-ATOM    768  N   GLU    52     -16.514  12.715 -23.345  1.00  1.00           N
-ATOM    769  CA  GLU    52     -17.921  12.652 -23.706  1.00  1.00           C
-ATOM    770  C   GLU    52     -18.387  11.197 -23.771  1.00  1.00           C
-ATOM    771  O   GLU    52     -18.961  10.769 -24.772  1.00  1.00           O
-ATOM    777  H   GLU    52     -15.899  12.968 -24.090  1.00  1.00           H
-ATOM    778  HA  GLU    52     -18.449  13.175 -22.908  1.00  1.00           H
-ATOM    772  CB  GLU    52     -18.179  13.371 -25.033  1.00  1.00           C
-ATOM    773  CG  GLU    52     -18.241  14.887 -24.833  1.00  1.00           C
-ATOM    774  CD  GLU    52     -18.173  15.620 -26.174  1.00  1.00           C
-ATOM    775  OE1 GLU    52     -17.492  15.089 -27.077  1.00  1.00           O
-ATOM    776  OE2 GLU    52     -18.804  16.694 -26.265  1.00  1.00           O
-ATOM    779  HB2 GLU    52     -17.389  13.127 -25.742  1.00  1.00           H
-ATOM    780  HB3 GLU    52     -19.116  13.019 -25.464  1.00  1.00           H
-ATOM    781  HG2 GLU    52     -19.162  15.152 -24.315  1.00  1.00           H
-ATOM    782  HG3 GLU    52     -17.415  15.206 -24.196  1.00  1.00           H
-ATOM    783  N   GLY    53     -18.126  10.477 -22.691  1.00  1.00           N
-ATOM    784  CA  GLY    53     -18.512   9.077 -22.612  1.00  1.00           C
-ATOM    785  C   GLY    53     -17.336   8.163 -22.960  1.00  1.00           C
-ATOM    786  O   GLY    53     -17.269   7.027 -22.496  1.00  1.00           O
-ATOM    787  H   GLY    53     -17.659  10.832 -21.881  1.00  1.00           H
-ATOM    788  HA2 GLY    53     -18.868   8.851 -21.607  1.00  1.00           H
-ATOM    789  HA3 GLY    53     -19.339   8.886 -23.295  1.00  1.00           H
-ATOM    790  N   ARG    54     -16.436   8.695 -23.776  1.00  1.00           N
-ATOM    791  CA  ARG    54     -15.265   7.941 -24.191  1.00  1.00           C
-ATOM    792  C   ARG    54     -14.239   7.886 -23.058  1.00  1.00           C
-ATOM    793  O   ARG    54     -14.121   8.830 -22.277  1.00  1.00           O
-ATOM    801  H   ARG    54     -16.497   9.621 -24.149  1.00  1.00           H
-ATOM    802  HA  ARG    54     -15.643   6.947 -24.427  1.00  1.00           H
-ATOM    794  CB  ARG    54     -14.616   8.569 -25.427  1.00  1.00           C
-ATOM    795  CG  ARG    54     -14.234  10.026 -25.164  1.00  1.00           C
-ATOM    796  CD  ARG    54     -13.141  10.488 -26.131  1.00  1.00           C
-ATOM    797  NE  ARG    54     -13.704  11.439 -27.116  1.00  1.00           N
-ATOM    798  CZ  ARG    54     -13.239  11.598 -28.361  1.00  1.00           C
-ATOM    799  NH1 ARG    54     -12.198  10.866 -28.784  1.00  1.00           N
-ATOM    800  NH2 ARG    54     -13.812  12.485 -29.185  1.00  1.00           N
-ATOM    803  HB2 ARG    54     -13.729   7.999 -25.705  1.00  1.00           H
-ATOM    804  HB3 ARG    54     -15.306   8.516 -26.271  1.00  1.00           H
-ATOM    805  HG2 ARG    54     -15.112  10.662 -25.272  1.00  1.00           H
-ATOM    806  HG3 ARG    54     -13.884  10.135 -24.138  1.00  1.00           H
-ATOM    807  HD2 ARG    54     -12.330  10.963 -25.577  1.00  1.00           H
-ATOM    808  HD3 ARG    54     -12.714   9.629 -26.649  1.00  1.00           H
-ATOM    809  HE  ARG    54     -14.483  12.001 -26.832  1.00  1.00           H
-ATOM    810 HH11 ARG    54     -11.769  10.204 -28.169  1.00  1.00           H
-ATOM    811 HH12 ARG    54     -11.848  10.983 -29.714  1.00  1.00           H
-ATOM    812 HH21 ARG    54     -14.589  13.030 -28.869  1.00  1.00           H
-ATOM    813 HH22 ARG    54     -13.464  12.601 -30.115  1.00  1.00           H
-ATOM    814  N   VAL    55     -13.523   6.773 -23.005  1.00  1.00           N
-ATOM    815  CA  VAL    55     -12.511   6.582 -21.980  1.00  1.00           C
-ATOM    816  C   VAL    55     -11.146   6.393 -22.646  1.00  1.00           C
-ATOM    817  O   VAL    55     -10.955   5.461 -23.423  1.00  1.00           O
-ATOM    821  H   VAL    55     -13.625   6.010 -23.645  1.00  1.00           H
-ATOM    822  HA  VAL    55     -12.483   7.487 -21.373  1.00  1.00           H
-ATOM    818  CB  VAL    55     -12.899   5.414 -21.071  1.00  1.00           C
-ATOM    819  CG1 VAL    55     -11.728   5.002 -20.176  1.00  1.00           C
-ATOM    820  CG2 VAL    55     -14.134   5.757 -20.235  1.00  1.00           C
-ATOM    823  HB  VAL    55     -13.150   4.564 -21.706  1.00  1.00           H
-ATOM    824 HG11 VAL    55     -11.253   5.893 -19.767  1.00  1.00           H
-ATOM    825 HG12 VAL    55     -12.095   4.379 -19.362  1.00  1.00           H
-ATOM    826 HG13 VAL    55     -11.002   4.441 -20.765  1.00  1.00           H
-ATOM    827 HG21 VAL    55     -14.323   6.830 -20.288  1.00  1.00           H
-ATOM    828 HG22 VAL    55     -14.997   5.217 -20.624  1.00  1.00           H
-ATOM    829 HG23 VAL    55     -13.962   5.468 -19.199  1.00  1.00           H
-ATOM    830  N   TYR    56     -10.234   7.295 -22.316  1.00  1.00           N
-ATOM    831  CA  TYR    56      -8.892   7.241 -22.872  1.00  1.00           C
-ATOM    832  C   TYR    56      -7.961   6.418 -21.977  1.00  1.00           C
-ATOM    833  O   TYR    56      -7.900   6.640 -20.770  1.00  1.00           O
-ATOM    842  H   TYR    56     -10.397   8.052 -21.682  1.00  1.00           H
-ATOM    843  HA  TYR    56      -8.953   6.767 -23.852  1.00  1.00           H
-ATOM    834  CB  TYR    56      -8.393   8.686 -22.916  1.00  1.00           C
-ATOM    835  CG  TYR    56      -8.882   9.477 -24.131  1.00  1.00           C
-ATOM    836  CD1 TYR    56      -8.576   9.044 -25.405  1.00  1.00           C
-ATOM    837  CD2 TYR    56      -9.631  10.623 -23.952  1.00  1.00           C
-ATOM    838  CE1 TYR    56      -9.037   9.789 -26.548  1.00  1.00           C
-ATOM    839  CE2 TYR    56     -10.091  11.368 -25.097  1.00  1.00           C
-ATOM    840  CZ  TYR    56      -9.771  10.913 -26.337  1.00  1.00           C
-ATOM    841  OH  TYR    56     -10.206  11.616 -27.418  1.00  1.00           O
-ATOM    844  HB2 TYR    56      -8.715   9.198 -22.009  1.00  1.00           H
-ATOM    845  HB3 TYR    56      -7.304   8.684 -22.911  1.00  1.00           H
-ATOM    846  HD1 TYR    56      -7.986   8.139 -25.545  1.00  1.00           H
-ATOM    847  HD2 TYR    56      -9.873  10.966 -22.946  1.00  1.00           H
-ATOM    848  HE1 TYR    56      -8.802   9.457 -27.559  1.00  1.00           H
-ATOM    849  HE2 TYR    56     -10.683  12.274 -24.970  1.00  1.00           H
-ATOM    850  HH  TYR    56     -10.815  12.353 -27.123  1.00  1.00           H
-ATOM    851  N   HIS    57      -7.257   5.489 -22.606  1.00  1.00           N
-ATOM    852  CA  HIS    57      -6.332   4.633 -21.884  1.00  1.00           C
-ATOM    853  C   HIS    57      -4.898   4.944 -22.319  1.00  1.00           C
-ATOM    854  O   HIS    57      -4.418   4.406 -23.316  1.00  1.00           O
-ATOM    861  H   HIS    57      -7.312   5.315 -23.590  1.00  1.00           H
-ATOM    862  HA  HIS    57      -6.444   4.876 -20.828  1.00  1.00           H
-ATOM    855  CB  HIS    57      -6.700   3.160 -22.065  1.00  1.00           C
-ATOM    856  CG  HIS    57      -8.171   2.867 -21.886  1.00  1.00           C
-ATOM    857  ND1 HIS    57      -8.686   2.286 -20.741  1.00  1.00           N
-ATOM    858  CD2 HIS    57      -9.230   3.082 -22.718  1.00  1.00           C
-ATOM    859  CE1 HIS    57      -9.997   2.160 -20.889  1.00  1.00           C
-ATOM    860  NE2 HIS    57     -10.332   2.654 -22.115  1.00  1.00           N
-ATOM    863  HB2 HIS    57      -6.395   2.838 -23.061  1.00  1.00           H
-ATOM    864  HB3 HIS    57      -6.132   2.562 -21.350  1.00  1.00           H
-ATOM    865  HD1 HIS    57      -8.159   2.006 -19.938  1.00  1.00           H
-ATOM    866  HD2 HIS    57      -9.178   3.531 -23.711  1.00  1.00           H
-ATOM    867  HE1 HIS    57     -10.686   1.738 -20.158  1.00  1.00           H
-ATOM    868  N   TYR    58      -4.256   5.811 -21.550  1.00  1.00           N
-ATOM    869  CA  TYR    58      -2.887   6.199 -21.843  1.00  1.00           C
-ATOM    870  C   TYR    58      -2.010   6.104 -20.592  1.00  1.00           C
-ATOM    871  O   TYR    58      -2.339   6.677 -19.554  1.00  1.00           O
-ATOM    880  H   TYR    58      -4.654   6.243 -20.741  1.00  1.00           H
-ATOM    881  HA  TYR    58      -2.500   5.521 -22.601  1.00  1.00           H
-ATOM    872  CB  TYR    58      -2.951   7.660 -22.296  1.00  1.00           C
-ATOM    873  CG  TYR    58      -2.710   7.858 -23.793  1.00  1.00           C
-ATOM    874  CD1 TYR    58      -1.422   7.852 -24.292  1.00  1.00           C
-ATOM    875  CD2 TYR    58      -3.778   8.041 -24.647  1.00  1.00           C
-ATOM    876  CE1 TYR    58      -1.194   8.039 -25.701  1.00  1.00           C
-ATOM    877  CE2 TYR    58      -3.551   8.227 -26.056  1.00  1.00           C
-ATOM    878  CZ  TYR    58      -2.270   8.217 -26.515  1.00  1.00           C
-ATOM    879  OH  TYR    58      -2.054   8.392 -27.845  1.00  1.00           O
-ATOM    882  HB2 TYR    58      -3.930   8.066 -22.040  1.00  1.00           H
-ATOM    883  HB3 TYR    58      -2.211   8.235 -21.740  1.00  1.00           H
-ATOM    884  HD1 TYR    58      -0.578   7.708 -23.617  1.00  1.00           H
-ATOM    885  HD2 TYR    58      -4.795   8.044 -24.254  1.00  1.00           H
-ATOM    886  HE1 TYR    58      -0.182   8.037 -26.106  1.00  1.00           H
-ATOM    887  HE2 TYR    58      -4.386   8.373 -26.742  1.00  1.00           H
-ATOM    888  HH  TYR    58      -2.070   7.509 -28.313  1.00  1.00           H
-ATOM    889  N   ARG    59      -0.912   5.378 -20.733  1.00  1.00           N
-ATOM    890  CA  ARG    59       0.016   5.200 -19.628  1.00  1.00           C
-ATOM    891  C   ARG    59       0.823   6.480 -19.401  1.00  1.00           C
-ATOM    892  O   ARG    59       1.003   7.275 -20.323  1.00  1.00           O
-ATOM    900  H   ARG    59      -0.651   4.916 -21.581  1.00  1.00           H
-ATOM    901  HA  ARG    59      -0.616   4.978 -18.767  1.00  1.00           H
-ATOM    893  CB  ARG    59       0.975   4.040 -19.895  1.00  1.00           C
-ATOM    894  CG  ARG    59       1.402   4.007 -21.363  1.00  1.00           C
-ATOM    895  CD  ARG    59       2.768   3.336 -21.522  1.00  1.00           C
-ATOM    896  NE  ARG    59       3.333   3.646 -22.856  1.00  1.00           N
-ATOM    897  CZ  ARG    59       2.929   3.068 -23.995  1.00  1.00           C
-ATOM    898  NH1 ARG    59       1.956   2.146 -23.971  1.00  1.00           N
-ATOM    899  NH2 ARG    59       3.498   3.411 -25.158  1.00  1.00           N
-ATOM    902  HB2 ARG    59       1.855   4.135 -19.258  1.00  1.00           H
-ATOM    903  HB3 ARG    59       0.494   3.097 -19.632  1.00  1.00           H
-ATOM    904  HG2 ARG    59       0.659   3.471 -21.952  1.00  1.00           H
-ATOM    905  HG3 ARG    59       1.445   5.024 -21.755  1.00  1.00           H
-ATOM    906  HD2 ARG    59       3.446   3.682 -20.743  1.00  1.00           H
-ATOM    907  HD3 ARG    59       2.668   2.258 -21.402  1.00  1.00           H
-ATOM    908  HE  ARG    59       4.061   4.330 -22.909  1.00  1.00           H
-ATOM    909 HH11 ARG    59       1.531   1.890 -23.103  1.00  1.00           H
-ATOM    910 HH12 ARG    59       1.656   1.715 -24.821  1.00  1.00           H
-ATOM    911 HH21 ARG    59       4.224   4.099 -25.176  1.00  1.00           H
-ATOM    912 HH22 ARG    59       3.197   2.980 -26.009  1.00  1.00           H
-ATOM    913  N   ILE    60       1.290   6.637 -18.172  1.00  1.00           N
-ATOM    914  CA  ILE    60       2.075   7.807 -17.815  1.00  1.00           C
-ATOM    915  C   ILE    60       3.432   7.738 -18.517  1.00  1.00           C
-ATOM    916  O   ILE    60       4.165   8.726 -18.556  1.00  1.00           O
-ATOM    921  H   ILE    60       1.140   5.986 -17.429  1.00  1.00           H
-ATOM    922  HA  ILE    60       1.540   8.684 -18.178  1.00  1.00           H
-ATOM    917  CB  ILE    60       2.176   7.939 -16.294  1.00  1.00           C
-ATOM    918  CG1 ILE    60       0.796   7.833 -15.641  1.00  1.00           C
-ATOM    919  CG2 ILE    60       2.898   9.230 -15.903  1.00  1.00           C
-ATOM    920  CD1 ILE    60       0.845   6.942 -14.397  1.00  1.00           C
-ATOM    923  HB  ILE    60       2.775   7.109 -15.918  1.00  1.00           H
-ATOM    924 HG12 ILE    60       0.442   8.826 -15.368  1.00  1.00           H
-ATOM    925 HG13 ILE    60       0.082   7.426 -16.356  1.00  1.00           H
-ATOM    926 HG21 ILE    60       3.798   9.342 -16.508  1.00  1.00           H
-ATOM    927 HG22 ILE    60       2.237  10.081 -16.072  1.00  1.00           H
-ATOM    928 HG23 ILE    60       3.173   9.188 -14.847  1.00  1.00           H
-ATOM    929 HD11 ILE    60       1.317   5.993 -14.649  1.00  1.00           H
-ATOM    930 HD12 ILE    60       1.421   7.439 -13.617  1.00  1.00           H
-ATOM    931 HD13 ILE    60      -0.168   6.760 -14.041  1.00  1.00           H
-ATOM    932  N   ASN    61       3.726   6.564 -19.055  1.00  1.00           N
-ATOM    933  CA  ASN    61       4.982   6.354 -19.755  1.00  1.00           C
-ATOM    934  C   ASN    61       6.146   6.624 -18.798  1.00  1.00           C
-ATOM    935  O   ASN    61       6.046   7.481 -17.919  1.00  1.00           O
-ATOM    940  H   ASN    61       3.125   5.767 -19.018  1.00  1.00           H
-ATOM    941  HA  ASN    61       4.953   5.320 -20.092  1.00  1.00           H
-ATOM    936  CB  ASN    61       5.118   7.309 -20.942  1.00  1.00           C
-ATOM    937  CG  ASN    61       6.471   7.136 -21.634  1.00  1.00           C
-ATOM    938  OD1 ASN    61       6.661   6.275 -22.478  1.00  1.00           O
-ATOM    939  ND2 ASN    61       7.399   8.001 -21.232  1.00  1.00           N
-ATOM    942  HB2 ASN    61       4.314   7.124 -21.656  1.00  1.00           H
-ATOM    943  HB3 ASN    61       5.008   8.339 -20.601  1.00  1.00           H
-ATOM    944 HD21 ASN    61       7.176   8.684 -20.536  1.00  1.00           H
-ATOM    945 HD22 ASN    61       8.317   7.968 -21.627  1.00  1.00           H
-ATOM    946  N   THR    62       7.222   5.881 -19.000  1.00  1.00           N
-ATOM    947  CA  THR    62       8.403   6.028 -18.166  1.00  1.00           C
-ATOM    948  C   THR    62       9.618   6.391 -19.022  1.00  1.00           C
-ATOM    949  O   THR    62       9.637   6.125 -20.223  1.00  1.00           O
-ATOM    953  H   THR    62       7.296   5.187 -19.718  1.00  1.00           H
-ATOM    954  HA  THR    62       8.237   6.859 -17.480  1.00  1.00           H
-ATOM    950  CB  THR    62       8.584   4.735 -17.370  1.00  1.00           C
-ATOM    951  OG1 THR    62       7.372   4.610 -16.630  1.00  1.00           O
-ATOM    952  CG2 THR    62       9.665   4.857 -16.294  1.00  1.00           C
-ATOM    955  HB  THR    62       8.788   3.895 -18.033  1.00  1.00           H
-ATOM    956  HG1 THR    62       6.869   3.800 -16.933  1.00  1.00           H
-ATOM    957 HG21 THR    62       9.609   5.843 -15.832  1.00  1.00           H
-ATOM    958 HG22 THR    62       9.510   4.091 -15.534  1.00  1.00           H
-ATOM    959 HG23 THR    62      10.647   4.724 -16.748  1.00  1.00           H
-ATOM    960  N   ALA    63      10.603   6.992 -18.371  1.00  1.00           N
-ATOM    961  CA  ALA    63      11.820   7.392 -19.057  1.00  1.00           C
-ATOM    962  C   ALA    63      12.802   6.220 -19.071  1.00  1.00           C
-ATOM    963  O   ALA    63      13.986   6.393 -18.789  1.00  1.00           O
-ATOM    965  H   ALA    63      10.579   7.204 -17.394  1.00  1.00           H
-ATOM    966  HA  ALA    63      11.553   7.645 -20.084  1.00  1.00           H
-ATOM    964  CB  ALA    63      12.403   8.633 -18.379  1.00  1.00           C
-ATOM    967  HB1 ALA    63      11.958   8.751 -17.390  1.00  1.00           H
-ATOM    968  HB2 ALA    63      13.482   8.520 -18.280  1.00  1.00           H
-ATOM    969  HB3 ALA    63      12.184   9.514 -18.982  1.00  1.00           H
-ATOM    970  N   SER    64      12.273   5.050 -19.403  1.00  1.00           N
-ATOM    971  CA  SER    64      13.090   3.849 -19.458  1.00  1.00           C
-ATOM    972  C   SER    64      14.134   3.874 -18.340  1.00  1.00           C
-ATOM    973  O   SER    64      15.242   3.370 -18.509  1.00  1.00           O
-ATOM    976  H   SER    64      11.309   4.918 -19.632  1.00  1.00           H
-ATOM    977  HA  SER    64      12.395   3.022 -19.314  1.00  1.00           H
-ATOM    974  CB  SER    64      13.773   3.710 -20.819  1.00  1.00           C
-ATOM    975  OG  SER    64      14.772   4.707 -21.020  1.00  1.00           O
-ATOM    978  HB2 SER    64      14.228   2.722 -20.897  1.00  1.00           H
-ATOM    979  HB3 SER    64      13.026   3.779 -21.610  1.00  1.00           H
-ATOM    980  HG  SER    64      14.783   5.340 -20.246  1.00  1.00           H
-ATOM    981  N   ASP    65      13.742   4.466 -17.222  1.00  1.00           N
-ATOM    982  CA  ASP    65      14.630   4.563 -16.076  1.00  1.00           C
-ATOM    983  C   ASP    65      13.804   4.500 -14.789  1.00  1.00           C
-ATOM    984  O   ASP    65      14.072   3.676 -13.915  1.00  1.00           O
-ATOM    989  H   ASP    65      12.838   4.874 -17.092  1.00  1.00           H
-ATOM    990  HA  ASP    65      15.317   3.722 -16.172  1.00  1.00           H
-ATOM    985  CB  ASP    65      15.395   5.889 -16.081  1.00  1.00           C
-ATOM    986  CG  ASP    65      16.717   5.869 -16.850  1.00  1.00           C
-ATOM    987  OD1 ASP    65      17.053   4.785 -17.373  1.00  1.00           O
-ATOM    988  OD2 ASP    65      17.362   6.940 -16.897  1.00  1.00           O
-ATOM    991  HB2 ASP    65      14.753   6.659 -16.511  1.00  1.00           H
-ATOM    992  HB3 ASP    65      15.595   6.181 -15.050  1.00  1.00           H
-ATOM    993  N   GLY    66      12.817   5.379 -14.713  1.00  1.00           N
-ATOM    994  CA  GLY    66      11.950   5.434 -13.548  1.00  1.00           C
-ATOM    995  C   GLY    66      10.950   6.586 -13.661  1.00  1.00           C
-ATOM    996  O   GLY    66       9.741   6.365 -13.663  1.00  1.00           O
-ATOM    997  H   GLY    66      12.606   6.046 -15.428  1.00  1.00           H
-ATOM    998  HA2 GLY    66      11.414   4.490 -13.445  1.00  1.00           H
-ATOM    999  HA3 GLY    66      12.552   5.557 -12.648  1.00  1.00           H
-ATOM   1000  N   LYS    67      11.494   7.791 -13.752  1.00  1.00           N
-ATOM   1001  CA  LYS    67      10.664   8.979 -13.865  1.00  1.00           C
-ATOM   1002  C   LYS    67       9.544   8.720 -14.874  1.00  1.00           C
-ATOM   1003  O   LYS    67       9.749   8.026 -15.868  1.00  1.00           O
-ATOM   1009  H   LYS    67      12.478   7.963 -13.749  1.00  1.00           H
-ATOM   1010  HA  LYS    67      10.214   9.158 -12.889  1.00  1.00           H
-ATOM   1004  CB  LYS    67      11.521  10.201 -14.199  1.00  1.00           C
-ATOM   1005  CG  LYS    67      12.650   9.834 -15.166  1.00  1.00           C
-ATOM   1006  CD  LYS    67      14.017  10.002 -14.501  1.00  1.00           C
-ATOM   1007  CE  LYS    67      15.141   9.561 -15.442  1.00  1.00           C
-ATOM   1008  NZ  LYS    67      16.446  10.068 -14.962  1.00  1.00           N
-ATOM   1011  HB2 LYS    67      10.898  10.979 -14.640  1.00  1.00           H
-ATOM   1012  HB3 LYS    67      11.943  10.615 -13.282  1.00  1.00           H
-ATOM   1013  HG2 LYS    67      12.527   8.803 -15.497  1.00  1.00           H
-ATOM   1014  HG3 LYS    67      12.591  10.463 -16.053  1.00  1.00           H
-ATOM   1015  HD2 LYS    67      14.162  11.044 -14.218  1.00  1.00           H
-ATOM   1016  HD3 LYS    67      14.056   9.414 -13.584  1.00  1.00           H
-ATOM   1017  HE2 LYS    67      15.167   8.474 -15.504  1.00  1.00           H
-ATOM   1018  HE3 LYS    67      14.947   9.933 -16.448  1.00  1.00           H
-ATOM   1019  HZ1 LYS    67      16.425  10.155 -13.967  1.00  1.00           H
-ATOM   1020  HZ2 LYS    67      17.169   9.429 -15.226  1.00  1.00           H
-ATOM   1021  HZ3 LYS    67      16.628  10.963 -15.370  1.00  1.00           H
-ATOM   1022  N   LEU    68       8.385   9.292 -14.584  1.00  1.00           N
-ATOM   1023  CA  LEU    68       7.232   9.131 -15.455  1.00  1.00           C
-ATOM   1024  C   LEU    68       7.039  10.406 -16.277  1.00  1.00           C
-ATOM   1025  O   LEU    68       6.735  11.464 -15.728  1.00  1.00           O
-ATOM   1030  H   LEU    68       8.227   9.855 -13.773  1.00  1.00           H
-ATOM   1031  HA  LEU    68       7.451   8.309 -16.136  1.00  1.00           H
-ATOM   1026  CB  LEU    68       6.000   8.730 -14.642  1.00  1.00           C
-ATOM   1027  CG  LEU    68       6.165   7.516 -13.726  1.00  1.00           C
-ATOM   1028  CD1 LEU    68       7.090   7.839 -12.550  1.00  1.00           C
-ATOM   1029  CD2 LEU    68       4.805   6.992 -13.259  1.00  1.00           C
-ATOM   1032  HB2 LEU    68       5.698   9.582 -14.033  1.00  1.00           H
-ATOM   1033  HB3 LEU    68       5.183   8.530 -15.334  1.00  1.00           H
-ATOM   1034  HG  LEU    68       6.638   6.718 -14.299  1.00  1.00           H
-ATOM   1035 HD11 LEU    68       6.980   8.888 -12.279  1.00  1.00           H
-ATOM   1036 HD12 LEU    68       6.825   7.213 -11.698  1.00  1.00           H
-ATOM   1037 HD13 LEU    68       8.122   7.643 -12.837  1.00  1.00           H
-ATOM   1038 HD21 LEU    68       4.283   7.776 -12.710  1.00  1.00           H
-ATOM   1039 HD22 LEU    68       4.213   6.698 -14.126  1.00  1.00           H
-ATOM   1040 HD23 LEU    68       4.953   6.130 -12.610  1.00  1.00           H
-ATOM   1041  N   TYR    69       7.222  10.263 -17.582  1.00  1.00           N
-ATOM   1042  CA  TYR    69       7.072  11.390 -18.486  1.00  1.00           C
-ATOM   1043  C   TYR    69       6.158  11.033 -19.661  1.00  1.00           C
-ATOM   1044  O   TYR    69       6.419  10.072 -20.384  1.00  1.00           O
-ATOM   1053  H   TYR    69       7.468   9.399 -18.021  1.00  1.00           H
-ATOM   1054  HA  TYR    69       6.627  12.214 -17.928  1.00  1.00           H
-ATOM   1045  CB  TYR    69       8.473  11.694 -19.019  1.00  1.00           C
-ATOM   1046  CG  TYR    69       8.800  10.999 -20.344  1.00  1.00           C
-ATOM   1047  CD1 TYR    69       8.133  11.362 -21.497  1.00  1.00           C
-ATOM   1048  CD2 TYR    69       9.761  10.010 -20.385  1.00  1.00           C
-ATOM   1049  CE1 TYR    69       8.441  10.709 -22.741  1.00  1.00           C
-ATOM   1050  CE2 TYR    69      10.067   9.356 -21.630  1.00  1.00           C
-ATOM   1051  CZ  TYR    69       9.393   9.738 -22.747  1.00  1.00           C
-ATOM   1052  OH  TYR    69       9.683   9.121 -23.924  1.00  1.00           O
-ATOM   1055  HB2 TYR    69       8.575  12.772 -19.151  1.00  1.00           H
-ATOM   1056  HB3 TYR    69       9.208  11.393 -18.273  1.00  1.00           H
-ATOM   1057  HD1 TYR    69       7.376  12.145 -21.464  1.00  1.00           H
-ATOM   1058  HD2 TYR    69      10.286   9.722 -19.473  1.00  1.00           H
-ATOM   1059  HE1 TYR    69       7.923  10.987 -23.660  1.00  1.00           H
-ATOM   1060  HE2 TYR    69      10.824   8.572 -21.676  1.00  1.00           H
-ATOM   1061  HH  TYR    69      10.033   8.199 -23.750  1.00  1.00           H
-ATOM   1062  N   VAL    70       5.108  11.824 -19.816  1.00  1.00           N
-ATOM   1063  CA  VAL    70       4.156  11.604 -20.890  1.00  1.00           C
-ATOM   1064  C   VAL    70       4.654  12.299 -22.159  1.00  1.00           C
-ATOM   1065  O   VAL    70       4.284  11.915 -23.267  1.00  1.00           O
-ATOM   1069  H   VAL    70       4.904  12.603 -19.223  1.00  1.00           H
-ATOM   1070  HA  VAL    70       4.111  10.530 -21.073  1.00  1.00           H
-ATOM   1066  CB  VAL    70       2.763  12.071 -20.460  1.00  1.00           C
-ATOM   1067  CG1 VAL    70       1.695  11.589 -21.444  1.00  1.00           C
-ATOM   1068  CG2 VAL    70       2.446  11.606 -19.037  1.00  1.00           C
-ATOM   1071  HB  VAL    70       2.758  13.159 -20.465  1.00  1.00           H
-ATOM   1072 HG11 VAL    70       2.164  11.348 -22.399  1.00  1.00           H
-ATOM   1073 HG12 VAL    70       1.206  10.701 -21.045  1.00  1.00           H
-ATOM   1074 HG13 VAL    70       0.956  12.376 -21.591  1.00  1.00           H
-ATOM   1075 HG21 VAL    70       3.230  10.934 -18.689  1.00  1.00           H
-ATOM   1076 HG22 VAL    70       2.391  12.472 -18.377  1.00  1.00           H
-ATOM   1077 HG23 VAL    70       1.489  11.083 -19.031  1.00  1.00           H
-ATOM   1078  N   SER    71       5.483  13.310 -21.953  1.00  1.00           N
-ATOM   1079  CA  SER    71       6.036  14.064 -23.066  1.00  1.00           C
-ATOM   1080  C   SER    71       7.519  13.727 -23.241  1.00  1.00           C
-ATOM   1081  O   SER    71       7.898  13.055 -24.199  1.00  1.00           O
-ATOM   1084  H   SER    71       5.780  13.616 -21.048  1.00  1.00           H
-ATOM   1085  HA  SER    71       5.466  13.747 -23.940  1.00  1.00           H
-ATOM   1082  CB  SER    71       5.854  15.568 -22.858  1.00  1.00           C
-ATOM   1083  OG  SER    71       7.060  16.289 -23.097  1.00  1.00           O
-ATOM   1086  HB2 SER    71       5.074  15.934 -23.524  1.00  1.00           H
-ATOM   1087  HB3 SER    71       5.516  15.755 -21.839  1.00  1.00           H
-ATOM   1088  HG  SER    71       6.906  16.990 -23.793  1.00  1.00           H
-ATOM   1089  N   SER    72       8.317  14.210 -22.300  1.00  1.00           N
-ATOM   1090  CA  SER    72       9.750  13.970 -22.339  1.00  1.00           C
-ATOM   1091  C   SER    72      10.475  14.993 -21.463  1.00  1.00           C
-ATOM   1092  O   SER    72      11.269  14.623 -20.599  1.00  1.00           O
-ATOM   1095  H   SER    72       8.000  14.756 -21.524  1.00  1.00           H
-ATOM   1096  HA  SER    72       9.883  12.963 -21.943  1.00  1.00           H
-ATOM   1093  CB  SER    72      10.279  14.028 -23.774  1.00  1.00           C
-ATOM   1094  OG  SER    72       9.548  14.950 -24.576  1.00  1.00           O
-ATOM   1097  HB2 SER    72      11.332  14.313 -23.759  1.00  1.00           H
-ATOM   1098  HB3 SER    72      10.225  13.036 -24.221  1.00  1.00           H
-ATOM   1099  HG  SER    72       9.000  15.551 -23.993  1.00  1.00           H
-ATOM   1100  N   GLU    73      10.178  16.258 -21.716  1.00  1.00           N
-ATOM   1101  CA  GLU    73      10.792  17.337 -20.962  1.00  1.00           C
-ATOM   1102  C   GLU    73       9.960  17.656 -19.717  1.00  1.00           C
-ATOM   1103  O   GLU    73      10.317  18.537 -18.936  1.00  1.00           O
-ATOM   1109  H   GLU    73       9.531  16.551 -22.420  1.00  1.00           H
-ATOM   1110  HA  GLU    73      11.772  16.962 -20.665  1.00  1.00           H
-ATOM   1104  CB  GLU    73      10.975  18.581 -21.833  1.00  1.00           C
-ATOM   1105  CG  GLU    73      12.425  19.068 -21.795  1.00  1.00           C
-ATOM   1106  CD  GLU    73      12.650  20.198 -22.803  1.00  1.00           C
-ATOM   1107  OE1 GLU    73      11.966  20.169 -23.850  1.00  1.00           O
-ATOM   1108  OE2 GLU    73      13.499  21.065 -22.504  1.00  1.00           O
-ATOM   1111  HB2 GLU    73      10.691  18.355 -22.860  1.00  1.00           H
-ATOM   1112  HB3 GLU    73      10.312  19.374 -21.485  1.00  1.00           H
-ATOM   1113  HG2 GLU    73      12.669  19.418 -20.791  1.00  1.00           H
-ATOM   1114  HG3 GLU    73      13.097  18.241 -22.015  1.00  1.00           H
-ATOM   1115  N   SER    74       8.866  16.923 -19.572  1.00  1.00           N
-ATOM   1116  CA  SER    74       7.980  17.117 -18.438  1.00  1.00           C
-ATOM   1117  C   SER    74       7.836  15.809 -17.657  1.00  1.00           C
-ATOM   1118  O   SER    74       6.723  15.380 -17.356  1.00  1.00           O
-ATOM   1121  H   SER    74       8.583  16.209 -20.214  1.00  1.00           H
-ATOM   1122  HA  SER    74       8.461  17.878 -17.823  1.00  1.00           H
-ATOM   1119  CB  SER    74       6.606  17.617 -18.890  1.00  1.00           C
-ATOM   1120  OG  SER    74       6.683  18.359 -20.105  1.00  1.00           O
-ATOM   1123  HB2 SER    74       5.937  16.769 -19.024  1.00  1.00           H
-ATOM   1124  HB3 SER    74       6.176  18.245 -18.109  1.00  1.00           H
-ATOM   1125  HG  SER    74       5.892  18.964 -20.187  1.00  1.00           H
-ATOM   1126  N   ARG    75       8.979  15.211 -17.351  1.00  1.00           N
-ATOM   1127  CA  ARG    75       8.994  13.961 -16.611  1.00  1.00           C
-ATOM   1128  C   ARG    75       8.645  14.209 -15.142  1.00  1.00           C
-ATOM   1129  O   ARG    75       8.885  15.294 -14.618  1.00  1.00           O
-ATOM   1137  H   ARG    75       9.880  15.566 -17.600  1.00  1.00           H
-ATOM   1138  HA  ARG    75       8.239  13.340 -17.095  1.00  1.00           H
-ATOM   1130  CB  ARG    75      10.366  13.288 -16.694  1.00  1.00           C
-ATOM   1131  CG  ARG    75      11.490  14.321 -16.592  1.00  1.00           C
-ATOM   1132  CD  ARG    75      12.540  14.098 -17.683  1.00  1.00           C
-ATOM   1133  NE  ARG    75      13.504  15.221 -17.693  1.00  1.00           N
-ATOM   1134  CZ  ARG    75      14.416  15.436 -16.735  1.00  1.00           C
-ATOM   1135  NH1 ARG    75      14.492  14.608 -15.683  1.00  1.00           N
-ATOM   1136  NH2 ARG    75      15.251  16.481 -16.825  1.00  1.00           N
-ATOM   1139  HB2 ARG    75      10.465  12.556 -15.894  1.00  1.00           H
-ATOM   1140  HB3 ARG    75      10.452  12.744 -17.635  1.00  1.00           H
-ATOM   1141  HG2 ARG    75      11.076  15.325 -16.680  1.00  1.00           H
-ATOM   1142  HG3 ARG    75      11.961  14.255 -15.610  1.00  1.00           H
-ATOM   1143  HD2 ARG    75      13.064  13.159 -17.509  1.00  1.00           H
-ATOM   1144  HD3 ARG    75      12.055  14.018 -18.655  1.00  1.00           H
-ATOM   1145  HE  ARG    75      13.474  15.857 -18.463  1.00  1.00           H
-ATOM   1146 HH11 ARG    75      13.869  13.830 -15.615  1.00  1.00           H
-ATOM   1147 HH12 ARG    75      15.171  14.770 -14.968  1.00  1.00           H
-ATOM   1148 HH21 ARG    75      15.193  17.099 -17.611  1.00  1.00           H
-ATOM   1149 HH22 ARG    75      15.931  16.641 -16.111  1.00  1.00           H
-ATOM   1150  N   PHE    76       8.083  13.183 -14.519  1.00  1.00           N
-ATOM   1151  CA  PHE    76       7.698  13.276 -13.122  1.00  1.00           C
-ATOM   1152  C   PHE    76       8.022  11.980 -12.375  1.00  1.00           C
-ATOM   1153  O   PHE    76       7.671  10.893 -12.832  1.00  1.00           O
-ATOM   1161  H   PHE    76       7.891  12.303 -14.953  1.00  1.00           H
-ATOM   1162  HA  PHE    76       8.265  14.096 -12.683  1.00  1.00           H
-ATOM   1154  CB  PHE    76       6.185  13.505 -13.089  1.00  1.00           C
-ATOM   1155  CG  PHE    76       5.741  14.825 -13.722  1.00  1.00           C
-ATOM   1156  CD1 PHE    76       5.442  14.877 -15.047  1.00  1.00           C
-ATOM   1157  CD2 PHE    76       5.647  15.947 -12.959  1.00  1.00           C
-ATOM   1158  CE1 PHE    76       5.031  16.103 -15.635  1.00  1.00           C
-ATOM   1159  CE2 PHE    76       5.235  17.172 -13.546  1.00  1.00           C
-ATOM   1160  CZ  PHE    76       4.936  17.224 -14.872  1.00  1.00           C
-ATOM   1163  HB2 PHE    76       5.692  12.682 -13.606  1.00  1.00           H
-ATOM   1164  HB3 PHE    76       5.846  13.479 -12.053  1.00  1.00           H
-ATOM   1165  HD1 PHE    76       5.518  13.979 -15.659  1.00  1.00           H
-ATOM   1166  HD2 PHE    76       5.887  15.905 -11.896  1.00  1.00           H
-ATOM   1167  HE1 PHE    76       4.790  16.143 -16.697  1.00  1.00           H
-ATOM   1168  HE2 PHE    76       5.159  18.071 -12.936  1.00  1.00           H
-ATOM   1169  HZ  PHE    76       4.619  18.165 -15.323  1.00  1.00           H
-ATOM   1170  N   ASN    77       8.688  12.137 -11.242  1.00  1.00           N
-ATOM   1171  CA  ASN    77       9.063  10.994 -10.428  1.00  1.00           C
-ATOM   1172  C   ASN    77       7.801  10.351  -9.848  1.00  1.00           C
-ATOM   1173  O   ASN    77       7.713   9.127  -9.753  1.00  1.00           O
-ATOM   1178  H   ASN    77       8.969  13.025 -10.878  1.00  1.00           H
-ATOM   1179  HA  ASN    77       9.599  10.326 -11.102  1.00  1.00           H
-ATOM   1174  CB  ASN    77       9.957  11.416  -9.260  1.00  1.00           C
-ATOM   1175  CG  ASN    77      11.434  11.361  -9.653  1.00  1.00           C
-ATOM   1176  OD1 ASN    77      11.874  10.498 -10.396  1.00  1.00           O
-ATOM   1177  ND2 ASN    77      12.174  12.325  -9.114  1.00  1.00           N
-ATOM   1180  HB2 ASN    77       9.697  12.430  -8.948  1.00  1.00           H
-ATOM   1181  HB3 ASN    77       9.778  10.764  -8.406  1.00  1.00           H
-ATOM   1182 HD21 ASN    77      11.750  13.004  -8.512  1.00  1.00           H
-ATOM   1183 HD22 ASN    77      13.153  12.373  -9.310  1.00  1.00           H
-ATOM   1184  N   THR    78       6.858  11.202  -9.476  1.00  1.00           N
-ATOM   1185  CA  THR    78       5.606  10.732  -8.909  1.00  1.00           C
-ATOM   1186  C   THR    78       4.444  11.032  -9.858  1.00  1.00           C
-ATOM   1187  O   THR    78       4.234  12.180 -10.245  1.00  1.00           O
-ATOM   1191  H   THR    78       6.938  12.197  -9.558  1.00  1.00           H
-ATOM   1192  HA  THR    78       5.661   9.649  -8.805  1.00  1.00           H
-ATOM   1188  CB  THR    78       5.442  11.370  -7.528  1.00  1.00           C
-ATOM   1189  OG1 THR    78       5.958  12.688  -7.693  1.00  1.00           O
-ATOM   1190  CG2 THR    78       6.359  10.740  -6.480  1.00  1.00           C
-ATOM   1193  HB  THR    78       4.402  11.339  -7.206  1.00  1.00           H
-ATOM   1194  HG1 THR    78       6.257  13.051  -6.809  1.00  1.00           H
-ATOM   1195 HG21 THR    78       6.712   9.773  -6.839  1.00  1.00           H
-ATOM   1196 HG22 THR    78       7.213  11.394  -6.301  1.00  1.00           H
-ATOM   1197 HG23 THR    78       5.808  10.601  -5.550  1.00  1.00           H
-ATOM   1198  N   LEU    79       3.718   9.979 -10.206  1.00  1.00           N
-ATOM   1199  CA  LEU    79       2.583  10.114 -11.103  1.00  1.00           C
-ATOM   1200  C   LEU    79       1.755  11.333 -10.688  1.00  1.00           C
-ATOM   1201  O   LEU    79       1.428  12.178 -11.519  1.00  1.00           O
-ATOM   1206  H   LEU    79       3.895   9.047  -9.886  1.00  1.00           H
-ATOM   1207  HA  LEU    79       2.977  10.289 -12.103  1.00  1.00           H
-ATOM   1202  CB  LEU    79       1.781   8.813 -11.152  1.00  1.00           C
-ATOM   1203  CG  LEU    79       1.635   8.063  -9.827  1.00  1.00           C
-ATOM   1204  CD1 LEU    79       0.255   7.415  -9.712  1.00  1.00           C
-ATOM   1205  CD2 LEU    79       2.764   7.045  -9.646  1.00  1.00           C
-ATOM   1208  HB2 LEU    79       0.784   9.038 -11.531  1.00  1.00           H
-ATOM   1209  HB3 LEU    79       2.254   8.146 -11.874  1.00  1.00           H
-ATOM   1210  HG  LEU    79       1.721   8.786  -9.015  1.00  1.00           H
-ATOM   1211 HD11 LEU    79      -0.364   7.726 -10.554  1.00  1.00           H
-ATOM   1212 HD12 LEU    79       0.360   6.330  -9.719  1.00  1.00           H
-ATOM   1213 HD13 LEU    79      -0.218   7.728  -8.780  1.00  1.00           H
-ATOM   1214 HD21 LEU    79       3.311   6.939 -10.583  1.00  1.00           H
-ATOM   1215 HD22 LEU    79       3.442   7.389  -8.865  1.00  1.00           H
-ATOM   1216 HD23 LEU    79       2.341   6.082  -9.361  1.00  1.00           H
-ATOM   1217  N   ALA    80       1.439  11.383  -9.403  1.00  1.00           N
-ATOM   1218  CA  ALA    80       0.655  12.483  -8.867  1.00  1.00           C
-ATOM   1219  C   ALA    80       1.202  13.805  -9.409  1.00  1.00           C
-ATOM   1220  O   ALA    80       0.455  14.608  -9.967  1.00  1.00           O
-ATOM   1222  H   ALA    80       1.709  10.692  -8.733  1.00  1.00           H
-ATOM   1223  HA  ALA    80      -0.372  12.357  -9.210  1.00  1.00           H
-ATOM   1221  CB  ALA    80       0.674  12.427  -7.338  1.00  1.00           C
-ATOM   1224  HB1 ALA    80       1.318  11.611  -7.012  1.00  1.00           H
-ATOM   1225  HB2 ALA    80       1.054  13.371  -6.945  1.00  1.00           H
-ATOM   1226  HB3 ALA    80      -0.339  12.262  -6.969  1.00  1.00           H
-ATOM   1227  N   GLU    81       2.501  13.989  -9.228  1.00  1.00           N
-ATOM   1228  CA  GLU    81       3.158  15.200  -9.694  1.00  1.00           C
-ATOM   1229  C   GLU    81       2.840  15.442 -11.170  1.00  1.00           C
-ATOM   1230  O   GLU    81       2.711  16.587 -11.600  1.00  1.00           O
-ATOM   1236  H   GLU    81       3.102  13.330  -8.775  1.00  1.00           H
-ATOM   1237  HA  GLU    81       2.742  16.005  -9.088  1.00  1.00           H
-ATOM   1231  CB  GLU    81       4.668  15.128  -9.461  1.00  1.00           C
-ATOM   1232  CG  GLU    81       5.178  16.395  -8.774  1.00  1.00           C
-ATOM   1233  CD  GLU    81       6.517  16.140  -8.080  1.00  1.00           C
-ATOM   1234  OE1 GLU    81       7.430  15.643  -8.772  1.00  1.00           O
-ATOM   1235  OE2 GLU    81       6.599  16.451  -6.871  1.00  1.00           O
-ATOM   1238  HB2 GLU    81       4.906  14.258  -8.850  1.00  1.00           H
-ATOM   1239  HB3 GLU    81       5.180  14.997 -10.416  1.00  1.00           H
-ATOM   1240  HG2 GLU    81       5.292  17.192  -9.509  1.00  1.00           H
-ATOM   1241  HG3 GLU    81       4.445  16.737  -8.043  1.00  1.00           H
-ATOM   1242  N   LEU    82       2.722  14.347 -11.905  1.00  1.00           N
-ATOM   1243  CA  LEU    82       2.421  14.426 -13.324  1.00  1.00           C
-ATOM   1244  C   LEU    82       1.009  14.986 -13.511  1.00  1.00           C
-ATOM   1245  O   LEU    82       0.825  16.011 -14.164  1.00  1.00           O
-ATOM   1250  H   LEU    82       2.827  13.420 -11.547  1.00  1.00           H
-ATOM   1251  HA  LEU    82       3.130  15.124 -13.770  1.00  1.00           H
-ATOM   1246  CB  LEU    82       2.639  13.069 -13.995  1.00  1.00           C
-ATOM   1247  CG  LEU    82       2.410  13.024 -15.507  1.00  1.00           C
-ATOM   1248  CD1 LEU    82       3.637  12.467 -16.232  1.00  1.00           C
-ATOM   1249  CD2 LEU    82       1.140  12.240 -15.845  1.00  1.00           C
-ATOM   1252  HB2 LEU    82       3.661  12.746 -13.794  1.00  1.00           H
-ATOM   1253  HB3 LEU    82       1.977  12.343 -13.526  1.00  1.00           H
-ATOM   1254  HG  LEU    82       2.262  14.044 -15.861  1.00  1.00           H
-ATOM   1255 HD11 LEU    82       4.464  12.374 -15.527  1.00  1.00           H
-ATOM   1256 HD12 LEU    82       3.400  11.487 -16.646  1.00  1.00           H
-ATOM   1257 HD13 LEU    82       3.920  13.144 -17.038  1.00  1.00           H
-ATOM   1258 HD21 LEU    82       1.071  11.364 -15.200  1.00  1.00           H
-ATOM   1259 HD22 LEU    82       0.268  12.876 -15.690  1.00  1.00           H
-ATOM   1260 HD23 LEU    82       1.175  11.921 -16.887  1.00  1.00           H
-ATOM   1261  N   VAL    83       0.048  14.286 -12.926  1.00  1.00           N
-ATOM   1262  CA  VAL    83      -1.342  14.698 -13.022  1.00  1.00           C
-ATOM   1263  C   VAL    83      -1.466  16.160 -12.583  1.00  1.00           C
-ATOM   1264  O   VAL    83      -2.320  16.890 -13.082  1.00  1.00           O
-ATOM   1268  H   VAL    83       0.206  13.452 -12.398  1.00  1.00           H
-ATOM   1269  HA  VAL    83      -1.638  14.620 -14.068  1.00  1.00           H
-ATOM   1265  CB  VAL    83      -2.225  13.752 -12.206  1.00  1.00           C
-ATOM   1266  CG1 VAL    83      -3.279  14.531 -11.414  1.00  1.00           C
-ATOM   1267  CG2 VAL    83      -2.882  12.704 -13.106  1.00  1.00           C
-ATOM   1270  HB  VAL    83      -1.589  13.231 -11.492  1.00  1.00           H
-ATOM   1271 HG11 VAL    83      -3.619  15.383 -12.003  1.00  1.00           H
-ATOM   1272 HG12 VAL    83      -4.124  13.879 -11.194  1.00  1.00           H
-ATOM   1273 HG13 VAL    83      -2.841  14.886 -10.480  1.00  1.00           H
-ATOM   1274 HG21 VAL    83      -3.094  13.143 -14.081  1.00  1.00           H
-ATOM   1275 HG22 VAL    83      -2.208  11.856 -13.228  1.00  1.00           H
-ATOM   1276 HG23 VAL    83      -3.812  12.364 -12.650  1.00  1.00           H
-ATOM   1277  N   HIS    84      -0.601  16.541 -11.655  1.00  1.00           N
-ATOM   1278  CA  HIS    84      -0.603  17.900 -11.144  1.00  1.00           C
-ATOM   1279  C   HIS    84      -0.306  18.877 -12.283  1.00  1.00           C
-ATOM   1280  O   HIS    84      -1.014  19.868 -12.459  1.00  1.00           O
-ATOM   1287  H   HIS    84       0.091  15.940 -11.255  1.00  1.00           H
-ATOM   1288  HA  HIS    84      -1.607  18.092 -10.766  1.00  1.00           H
-ATOM   1281  CB  HIS    84       0.370  18.042  -9.971  1.00  1.00           C
-ATOM   1282  CG  HIS    84      -0.290  18.430  -8.669  1.00  1.00           C
-ATOM   1283  ND1 HIS    84      -1.604  18.117  -8.373  1.00  1.00           N
-ATOM   1284  CD2 HIS    84       0.199  19.107  -7.590  1.00  1.00           C
-ATOM   1285  CE1 HIS    84      -1.886  18.590  -7.167  1.00  1.00           C
-ATOM   1286  NE2 HIS    84      -0.767  19.203  -6.684  1.00  1.00           N
-ATOM   1289  HB2 HIS    84       0.895  17.098  -9.833  1.00  1.00           H
-ATOM   1290  HB3 HIS    84       1.120  18.791 -10.223  1.00  1.00           H
-ATOM   1291  HD1 HIS    84      -2.236  17.619  -8.967  1.00  1.00           H
-ATOM   1292  HD2 HIS    84       1.211  19.500  -7.489  1.00  1.00           H
-ATOM   1293  HE1 HIS    84      -2.843  18.504  -6.652  1.00  1.00           H
-ATOM   1294  N   HIS    85       0.745  18.565 -13.028  1.00  1.00           N
-ATOM   1295  CA  HIS    85       1.145  19.403 -14.145  1.00  1.00           C
-ATOM   1296  C   HIS    85       0.137  19.255 -15.286  1.00  1.00           C
-ATOM   1297  O   HIS    85      -0.302  20.248 -15.863  1.00  1.00           O
-ATOM   1304  H   HIS    85       1.316  17.758 -12.879  1.00  1.00           H
-ATOM   1305  HA  HIS    85       1.128  20.433 -13.786  1.00  1.00           H
-ATOM   1298  CB  HIS    85       2.579  19.084 -14.576  1.00  1.00           C
-ATOM   1299  CG  HIS    85       2.956  19.656 -15.922  1.00  1.00           C
-ATOM   1300  ND1 HIS    85       2.912  21.011 -16.200  1.00  1.00           N
-ATOM   1301  CD2 HIS    85       3.386  19.043 -17.062  1.00  1.00           C
-ATOM   1302  CE1 HIS    85       3.299  21.194 -17.454  1.00  1.00           C
-ATOM   1303  NE2 HIS    85       3.591  19.973 -17.987  1.00  1.00           N
-ATOM   1306  HB2 HIS    85       3.268  19.468 -13.823  1.00  1.00           H
-ATOM   1307  HB3 HIS    85       2.707  18.002 -14.604  1.00  1.00           H
-ATOM   1308  HD1 HIS    85       2.635  21.730 -15.563  1.00  1.00           H
-ATOM   1309  HD2 HIS    85       3.536  17.971 -17.191  1.00  1.00           H
-ATOM   1310  HE1 HIS    85       3.370  22.152 -17.970  1.00  1.00           H
-ATOM   1311  N   HIS    86      -0.203  18.007 -15.575  1.00  1.00           N
-ATOM   1312  CA  HIS    86      -1.152  17.718 -16.636  1.00  1.00           C
-ATOM   1313  C   HIS    86      -2.535  18.239 -16.243  1.00  1.00           C
-ATOM   1314  O   HIS    86      -3.487  18.127 -17.015  1.00  1.00           O
-ATOM   1321  H   HIS    86       0.159  17.206 -15.099  1.00  1.00           H
-ATOM   1322  HA  HIS    86      -0.807  18.252 -17.519  1.00  1.00           H
-ATOM   1315  CB  HIS    86      -1.154  16.223 -16.967  1.00  1.00           C
-ATOM   1316  CG  HIS    86       0.066  15.760 -17.726  1.00  1.00           C
-ATOM   1317  ND1 HIS    86       0.926  16.635 -18.368  1.00  1.00           N
-ATOM   1318  CD2 HIS    86       0.562  14.508 -17.941  1.00  1.00           C
-ATOM   1319  CE1 HIS    86       1.891  15.930 -18.940  1.00  1.00           C
-ATOM   1320  NE2 HIS    86       1.663  14.611 -18.673  1.00  1.00           N
-ATOM   1323  HB2 HIS    86      -1.230  15.656 -16.039  1.00  1.00           H
-ATOM   1324  HB3 HIS    86      -2.044  15.993 -17.555  1.00  1.00           H
-ATOM   1325  HD1 HIS    86       0.834  17.631 -18.396  1.00  1.00           H
-ATOM   1326  HD2 HIS    86       0.125  13.579 -17.572  1.00  1.00           H
-ATOM   1327  HE1 HIS    86       2.721  16.332 -19.519  1.00  1.00           H
-ATOM   1328  N   SER    87      -2.604  18.799 -15.044  1.00  1.00           N
-ATOM   1329  CA  SER    87      -3.855  19.339 -14.540  1.00  1.00           C
-ATOM   1330  C   SER    87      -4.174  20.662 -15.241  1.00  1.00           C
-ATOM   1331  O   SER    87      -5.330  20.938 -15.557  1.00  1.00           O
-ATOM   1334  H   SER    87      -1.824  18.886 -14.423  1.00  1.00           H
-ATOM   1335  HA  SER    87      -4.609  18.590 -14.777  1.00  1.00           H
-ATOM   1332  CB  SER    87      -3.796  19.542 -13.025  1.00  1.00           C
-ATOM   1333  OG  SER    87      -3.581  20.907 -12.677  1.00  1.00           O
-ATOM   1336  HB2 SER    87      -4.728  19.197 -12.577  1.00  1.00           H
-ATOM   1337  HB3 SER    87      -2.996  18.930 -12.607  1.00  1.00           H
-ATOM   1338  HG  SER    87      -4.430  21.313 -12.341  1.00  1.00           H
-ATOM   1339  N   THR    88      -3.127  21.444 -15.464  1.00  1.00           N
-ATOM   1340  CA  THR    88      -3.282  22.730 -16.121  1.00  1.00           C
-ATOM   1341  C   THR    88      -2.556  22.731 -17.468  1.00  1.00           C
-ATOM   1342  O   THR    88      -2.972  23.416 -18.401  1.00  1.00           O
-ATOM   1346  H   THR    88      -2.190  21.212 -15.204  1.00  1.00           H
-ATOM   1347  HA  THR    88      -4.340  22.886 -16.329  1.00  1.00           H
-ATOM   1343  CB  THR    88      -2.784  23.814 -15.163  1.00  1.00           C
-ATOM   1344  OG1 THR    88      -1.481  23.375 -14.790  1.00  1.00           O
-ATOM   1345  CG2 THR    88      -3.562  23.832 -13.846  1.00  1.00           C
-ATOM   1348  HB  THR    88      -2.802  24.793 -15.640  1.00  1.00           H
-ATOM   1349  HG1 THR    88      -1.008  24.098 -14.285  1.00  1.00           H
-ATOM   1350 HG21 THR    88      -4.031  22.861 -13.687  1.00  1.00           H
-ATOM   1351 HG22 THR    88      -2.880  24.046 -13.023  1.00  1.00           H
-ATOM   1352 HG23 THR    88      -4.332  24.603 -13.889  1.00  1.00           H
-ATOM   1353  N   VAL    89      -1.484  21.956 -17.528  1.00  1.00           N
-ATOM   1354  CA  VAL    89      -0.696  21.858 -18.744  1.00  1.00           C
-ATOM   1355  C   VAL    89      -0.487  20.383 -19.095  1.00  1.00           C
-ATOM   1356  O   VAL    89       0.531  19.794 -18.731  1.00  1.00           O
-ATOM   1360  H   VAL    89      -1.152  21.401 -16.764  1.00  1.00           H
-ATOM   1361  HA  VAL    89      -1.267  22.331 -19.543  1.00  1.00           H
-ATOM   1357  CB  VAL    89       0.617  22.627 -18.581  1.00  1.00           C
-ATOM   1358  CG1 VAL    89       1.448  22.570 -19.864  1.00  1.00           C
-ATOM   1359  CG2 VAL    89       0.356  24.074 -18.161  1.00  1.00           C
-ATOM   1362  HB  VAL    89       1.190  22.145 -17.789  1.00  1.00           H
-ATOM   1363 HG11 VAL    89       1.316  21.598 -20.340  1.00  1.00           H
-ATOM   1364 HG12 VAL    89       1.119  23.355 -20.546  1.00  1.00           H
-ATOM   1365 HG13 VAL    89       2.500  22.717 -19.622  1.00  1.00           H
-ATOM   1366 HG21 VAL    89      -0.250  24.569 -18.919  1.00  1.00           H
-ATOM   1367 HG22 VAL    89      -0.174  24.086 -17.207  1.00  1.00           H
-ATOM   1368 HG23 VAL    89       1.306  24.599 -18.055  1.00  1.00           H
-ATOM   1369  N   ALA    90      -1.465  19.829 -19.795  1.00  1.00           N
-ATOM   1370  CA  ALA    90      -1.400  18.435 -20.197  1.00  1.00           C
-ATOM   1371  C   ALA    90      -0.366  18.278 -21.314  1.00  1.00           C
-ATOM   1372  O   ALA    90      -0.724  18.048 -22.469  1.00  1.00           O
-ATOM   1374  H   ALA    90      -2.289  20.314 -20.085  1.00  1.00           H
-ATOM   1375  HA  ALA    90      -1.079  17.854 -19.333  1.00  1.00           H
-ATOM   1373  CB  ALA    90      -2.792  17.961 -20.621  1.00  1.00           C
-ATOM   1376  HB1 ALA    90      -3.158  18.587 -21.433  1.00  1.00           H
-ATOM   1377  HB2 ALA    90      -2.736  16.925 -20.957  1.00  1.00           H
-ATOM   1378  HB3 ALA    90      -3.473  18.030 -19.773  1.00  1.00           H
-ATOM   1379  N   ASP    91       0.896  18.409 -20.933  1.00  1.00           N
-ATOM   1380  CA  ASP    91       1.984  18.285 -21.887  1.00  1.00           C
-ATOM   1381  C   ASP    91       2.235  16.805 -22.178  1.00  1.00           C
-ATOM   1382  O   ASP    91       3.381  16.361 -22.217  1.00  1.00           O
-ATOM   1387  H   ASP    91       1.179  18.595 -19.991  1.00  1.00           H
-ATOM   1388  HA  ASP    91       1.655  18.834 -22.768  1.00  1.00           H
-ATOM   1383  CB  ASP    91       3.277  18.881 -21.327  1.00  1.00           C
-ATOM   1384  CG  ASP    91       3.609  20.289 -21.828  1.00  1.00           C
-ATOM   1385  OD1 ASP    91       3.156  20.614 -22.947  1.00  1.00           O
-ATOM   1386  OD2 ASP    91       4.309  21.007 -21.082  1.00  1.00           O
-ATOM   1389  HB2 ASP    91       3.208  18.907 -20.240  1.00  1.00           H
-ATOM   1390  HB3 ASP    91       4.105  18.218 -21.580  1.00  1.00           H
-ATOM   1391  N   GLY    92       1.142  16.080 -22.376  1.00  1.00           N
-ATOM   1392  CA  GLY    92       1.229  14.658 -22.663  1.00  1.00           C
-ATOM   1393  C   GLY    92      -0.161  14.060 -22.895  1.00  1.00           C
-ATOM   1394  O   GLY    92      -0.467  13.602 -23.996  1.00  1.00           O
-ATOM   1395  H   GLY    92       0.213  16.448 -22.343  1.00  1.00           H
-ATOM   1396  HA2 GLY    92       1.849  14.500 -23.545  1.00  1.00           H
-ATOM   1397  HA3 GLY    92       1.716  14.146 -21.834  1.00  1.00           H
-ATOM   1398  N   LEU    93      -0.963  14.083 -21.841  1.00  1.00           N
-ATOM   1399  CA  LEU    93      -2.312  13.549 -21.917  1.00  1.00           C
-ATOM   1400  C   LEU    93      -3.175  14.476 -22.776  1.00  1.00           C
-ATOM   1401  O   LEU    93      -3.077  15.697 -22.670  1.00  1.00           O
-ATOM   1406  H   LEU    93      -0.705  14.458 -20.951  1.00  1.00           H
-ATOM   1407  HA  LEU    93      -2.252  12.578 -22.408  1.00  1.00           H
-ATOM   1402  CB  LEU    93      -2.873  13.312 -20.514  1.00  1.00           C
-ATOM   1403  CG  LEU    93      -1.846  13.254 -19.381  1.00  1.00           C
-ATOM   1404  CD1 LEU    93      -2.522  13.414 -18.018  1.00  1.00           C
-ATOM   1405  CD2 LEU    93      -1.015  11.970 -19.462  1.00  1.00           C
-ATOM   1408  HB2 LEU    93      -3.585  14.107 -20.289  1.00  1.00           H
-ATOM   1409  HB3 LEU    93      -3.431  12.377 -20.520  1.00  1.00           H
-ATOM   1410  HG  LEU    93      -1.157  14.089 -19.500  1.00  1.00           H
-ATOM   1411 HD11 LEU    93      -3.070  14.355 -17.993  1.00  1.00           H
-ATOM   1412 HD12 LEU    93      -3.214  12.586 -17.856  1.00  1.00           H
-ATOM   1413 HD13 LEU    93      -1.765  13.413 -17.235  1.00  1.00           H
-ATOM   1414 HD21 LEU    93      -1.679  11.106 -19.451  1.00  1.00           H
-ATOM   1415 HD22 LEU    93      -0.434  11.972 -20.384  1.00  1.00           H
-ATOM   1416 HD23 LEU    93      -0.340  11.920 -18.606  1.00  1.00           H
-ATOM   1417  N   ILE    94      -4.001  13.858 -23.609  1.00  1.00           N
-ATOM   1418  CA  ILE    94      -4.881  14.611 -24.485  1.00  1.00           C
-ATOM   1419  C   ILE    94      -5.547  15.735 -23.689  1.00  1.00           C
-ATOM   1420  O   ILE    94      -5.095  16.878 -23.724  1.00  1.00           O
-ATOM   1425  H   ILE    94      -4.074  12.863 -23.689  1.00  1.00           H
-ATOM   1426  HA  ILE    94      -4.263  15.059 -25.263  1.00  1.00           H
-ATOM   1421  CB  ILE    94      -5.874  13.677 -25.179  1.00  1.00           C
-ATOM   1422  CG1 ILE    94      -7.040  14.464 -25.780  1.00  1.00           C
-ATOM   1423  CG2 ILE    94      -6.354  12.581 -24.225  1.00  1.00           C
-ATOM   1424  CD1 ILE    94      -7.933  13.559 -26.633  1.00  1.00           C
-ATOM   1427  HB  ILE    94      -5.361  13.183 -26.004  1.00  1.00           H
-ATOM   1428 HG12 ILE    94      -7.629  14.915 -24.981  1.00  1.00           H
-ATOM   1429 HG13 ILE    94      -6.656  15.281 -26.391  1.00  1.00           H
-ATOM   1430 HG21 ILE    94      -5.998  12.795 -23.217  1.00  1.00           H
-ATOM   1431 HG22 ILE    94      -7.444  12.550 -24.226  1.00  1.00           H
-ATOM   1432 HG23 ILE    94      -5.963  11.618 -24.552  1.00  1.00           H
-ATOM   1433 HD11 ILE    94      -8.163  12.650 -26.077  1.00  1.00           H
-ATOM   1434 HD12 ILE    94      -8.857  14.082 -26.872  1.00  1.00           H
-ATOM   1435 HD13 ILE    94      -7.411  13.300 -27.554  1.00  1.00           H
-ATOM   1436  N   THR    95      -6.613  15.371 -22.991  1.00  1.00           N
-ATOM   1437  CA  THR    95      -7.346  16.335 -22.187  1.00  1.00           C
-ATOM   1438  C   THR    95      -6.608  16.607 -20.875  1.00  1.00           C
-ATOM   1439  O   THR    95      -5.590  15.976 -20.589  1.00  1.00           O
-ATOM   1443  H   THR    95      -6.975  14.440 -22.968  1.00  1.00           H
-ATOM   1444  HA  THR    95      -7.386  17.277 -22.733  1.00  1.00           H
-ATOM   1440  CB  THR    95      -8.766  15.800 -21.987  1.00  1.00           C
-ATOM   1441  OG1 THR    95      -9.591  16.749 -22.657  1.00  1.00           O
-ATOM   1442  CG2 THR    95      -9.218  15.876 -20.527  1.00  1.00           C
-ATOM   1445  HB  THR    95      -8.857  14.785 -22.371  1.00  1.00           H
-ATOM   1446  HG1 THR    95     -10.554  16.560 -22.464  1.00  1.00           H
-ATOM   1447 HG21 THR    95      -8.417  15.520 -19.879  1.00  1.00           H
-ATOM   1448 HG22 THR    95      -9.459  16.908 -20.274  1.00  1.00           H
-ATOM   1449 HG23 THR    95     -10.102  15.252 -20.388  1.00  1.00           H
-ATOM   1450  N   THR    96      -7.149  17.546 -20.113  1.00  1.00           N
-ATOM   1451  CA  THR    96      -6.555  17.908 -18.837  1.00  1.00           C
-ATOM   1452  C   THR    96      -7.405  17.376 -17.683  1.00  1.00           C
-ATOM   1453  O   THR    96      -8.620  17.563 -17.664  1.00  1.00           O
-ATOM   1457  H   THR    96      -7.976  18.053 -20.353  1.00  1.00           H
-ATOM   1458  HA  THR    96      -5.579  17.427 -18.764  1.00  1.00           H
-ATOM   1454  CB  THR    96      -6.379  19.428 -18.814  1.00  1.00           C
-ATOM   1455  OG1 THR    96      -7.649  19.918 -18.394  1.00  1.00           O
-ATOM   1456  CG2 THR    96      -6.194  20.018 -20.213  1.00  1.00           C
-ATOM   1459  HB  THR    96      -5.556  19.714 -18.159  1.00  1.00           H
-ATOM   1460  HG1 THR    96      -8.332  19.748 -19.104  1.00  1.00           H
-ATOM   1461 HG21 THR    96      -5.464  19.425 -20.764  1.00  1.00           H
-ATOM   1462 HG22 THR    96      -7.148  20.004 -20.742  1.00  1.00           H
-ATOM   1463 HG23 THR    96      -5.842  21.046 -20.131  1.00  1.00           H
-ATOM   1464  N   LEU    97      -6.732  16.725 -16.745  1.00  1.00           N
-ATOM   1465  CA  LEU    97      -7.409  16.166 -15.589  1.00  1.00           C
-ATOM   1466  C   LEU    97      -8.477  17.149 -15.103  1.00  1.00           C
-ATOM   1467  O   LEU    97      -8.290  18.361 -15.180  1.00  1.00           O
-ATOM   1472  H   LEU    97      -5.742  16.579 -16.767  1.00  1.00           H
-ATOM   1473  HA  LEU    97      -7.904  15.250 -15.912  1.00  1.00           H
-ATOM   1468  CB  LEU    97      -6.396  15.776 -14.510  1.00  1.00           C
-ATOM   1469  CG  LEU    97      -5.453  14.623 -14.860  1.00  1.00           C
-ATOM   1470  CD1 LEU    97      -4.014  15.118 -15.007  1.00  1.00           C
-ATOM   1471  CD2 LEU    97      -5.570  13.491 -13.837  1.00  1.00           C
-ATOM   1474  HB2 LEU    97      -5.793  16.653 -14.272  1.00  1.00           H
-ATOM   1475  HB3 LEU    97      -6.944  15.512 -13.606  1.00  1.00           H
-ATOM   1476  HG  LEU    97      -5.755  14.217 -15.825  1.00  1.00           H
-ATOM   1477 HD11 LEU    97      -4.016  16.116 -15.445  1.00  1.00           H
-ATOM   1478 HD12 LEU    97      -3.539  15.152 -14.026  1.00  1.00           H
-ATOM   1479 HD13 LEU    97      -3.461  14.438 -15.654  1.00  1.00           H
-ATOM   1480 HD21 LEU    97      -6.620  13.237 -13.694  1.00  1.00           H
-ATOM   1481 HD22 LEU    97      -5.030  12.616 -14.200  1.00  1.00           H
-ATOM   1482 HD23 LEU    97      -5.141  13.814 -12.887  1.00  1.00           H
-ATOM   1483  N   HIS    98      -9.573  16.588 -14.615  1.00  1.00           N
-ATOM   1484  CA  HIS    98     -10.671  17.400 -14.118  1.00  1.00           C
-ATOM   1485  C   HIS    98     -11.194  16.808 -12.807  1.00  1.00           C
-ATOM   1486  O   HIS    98     -10.879  17.306 -11.728  1.00  1.00           O
-ATOM   1493  H   HIS    98      -9.718  15.600 -14.556  1.00  1.00           H
-ATOM   1494  HA  HIS    98     -10.264  18.391 -13.921  1.00  1.00           H
-ATOM   1487  CB  HIS    98     -11.763  17.547 -15.179  1.00  1.00           C
-ATOM   1488  CG  HIS    98     -12.718  18.689 -14.926  1.00  1.00           C
-ATOM   1489  ND1 HIS    98     -12.291  19.981 -14.679  1.00  1.00           N
-ATOM   1490  CD2 HIS    98     -14.080  18.719 -14.884  1.00  1.00           C
-ATOM   1491  CE1 HIS    98     -13.356  20.747 -14.497  1.00  1.00           C
-ATOM   1492  NE2 HIS    98     -14.464  19.962 -14.624  1.00  1.00           N
-ATOM   1495  HB2 HIS    98     -11.293  17.689 -16.153  1.00  1.00           H
-ATOM   1496  HB3 HIS    98     -12.331  16.618 -15.233  1.00  1.00           H
-ATOM   1497  HD1 HIS    98     -11.338  20.287 -14.642  1.00  1.00           H
-ATOM   1498  HD2 HIS    98     -14.742  17.867 -15.038  1.00  1.00           H
-ATOM   1499  HE1 HIS    98     -13.348  21.816 -14.283  1.00  1.00           H
-ATOM   1500  N   TYR    99     -11.984  15.754 -12.945  1.00  1.00           N
-ATOM   1501  CA  TYR    99     -12.554  15.090 -11.786  1.00  1.00           C
-ATOM   1502  C   TYR    99     -11.973  13.684 -11.618  1.00  1.00           C
-ATOM   1503  O   TYR    99     -12.352  12.762 -12.339  1.00  1.00           O
-ATOM   1512  H   TYR    99     -12.237  15.355 -13.827  1.00  1.00           H
-ATOM   1513  HA  TYR    99     -12.311  15.683 -10.904  1.00  1.00           H
-ATOM   1504  CB  TYR    99     -14.056  14.979 -12.058  1.00  1.00           C
-ATOM   1505  CG  TYR    99     -14.805  16.312 -11.970  1.00  1.00           C
-ATOM   1506  CD1 TYR    99     -14.108  17.479 -11.734  1.00  1.00           C
-ATOM   1507  CD2 TYR    99     -16.175  16.343 -12.124  1.00  1.00           C
-ATOM   1508  CE1 TYR    99     -14.814  18.732 -11.651  1.00  1.00           C
-ATOM   1509  CE2 TYR    99     -16.880  17.596 -12.042  1.00  1.00           C
-ATOM   1510  CZ  TYR    99     -16.164  18.729 -11.808  1.00  1.00           C
-ATOM   1511  OH  TYR    99     -16.830  19.913 -11.730  1.00  1.00           O
-ATOM   1514  HB2 TYR    99     -14.205  14.556 -13.051  1.00  1.00           H
-ATOM   1515  HB3 TYR    99     -14.494  14.280 -11.345  1.00  1.00           H
-ATOM   1516  HD1 TYR    99     -13.026  17.453 -11.611  1.00  1.00           H
-ATOM   1517  HD2 TYR    99     -16.724  15.420 -12.311  1.00  1.00           H
-ATOM   1518  HE1 TYR    99     -14.275  19.663 -11.465  1.00  1.00           H
-ATOM   1519  HE2 TYR    99     -17.962  17.636 -12.163  1.00  1.00           H
-ATOM   1520  HH  TYR    99     -17.814  19.755 -11.790  1.00  1.00           H
-ATOM   1521  N   PRO   100     -11.040  13.561 -10.638  1.00  1.00           N
-ATOM   1522  CA  PRO   100     -10.402  12.284 -10.367  1.00  1.00           C
-ATOM   1523  C   PRO   100     -11.355  11.343  -9.625  1.00  1.00           C
-ATOM   1524  O   PRO   100     -11.237  11.163  -8.414  1.00  1.00           O
-ATOM   1528  HA  PRO   100     -10.173  11.821 -11.224  1.00  1.00           H
-ATOM   1525  CB  PRO   100      -9.159  12.626  -9.562  1.00  1.00           C
-ATOM   1526  CG  PRO   100      -9.389  14.027  -9.015  1.00  1.00           C
-ATOM   1527  CD  PRO   100     -10.566  14.631  -9.764  1.00  1.00           C
-ATOM   1529  HB2 PRO   100      -9.009  11.911  -8.754  1.00  1.00           H
-ATOM   1530  HB3 PRO   100      -8.267  12.593 -10.187  1.00  1.00           H
-ATOM   1531  HG2 PRO   100      -9.596  13.989  -7.945  1.00  1.00           H
-ATOM   1532  HG3 PRO   100      -8.499  14.639  -9.147  1.00  1.00           H
-ATOM   1533  HD2 PRO   100     -11.349  14.956  -9.077  1.00  1.00           H
-ATOM   1534  HD3 PRO   100     -10.263  15.507 -10.339  1.00  1.00           H
-ATOM   1535  N   ALA   101     -12.276  10.767 -10.384  1.00  1.00           N
-ATOM   1536  CA  ALA   101     -13.247   9.849  -9.814  1.00  1.00           C
-ATOM   1537  C   ALA   101     -12.539   8.901  -8.843  1.00  1.00           C
-ATOM   1538  O   ALA   101     -11.674   8.126  -9.248  1.00  1.00           O
-ATOM   1540  H   ALA   101     -12.365  10.919 -11.368  1.00  1.00           H
-ATOM   1541  HA  ALA   101     -13.978  10.439  -9.262  1.00  1.00           H
-ATOM   1539  CB  ALA   101     -13.965   9.101 -10.938  1.00  1.00           C
-ATOM   1542  HB1 ALA   101     -13.813   9.630 -11.882  1.00  1.00           H
-ATOM   1543  HB2 ALA   101     -13.562   8.092 -11.020  1.00  1.00           H
-ATOM   1544  HB3 ALA   101     -15.032   9.051 -10.719  1.00  1.00           H
-ATOM   1545  N   PRO   102     -12.942   8.999  -7.548  1.00  1.00           N
-ATOM   1546  CA  PRO   102     -12.356   8.160  -6.517  1.00  1.00           C
-ATOM   1547  C   PRO   102     -12.883   6.727  -6.611  1.00  1.00           C
-ATOM   1548  O   PRO   102     -13.446   6.334  -7.631  1.00  1.00           O
-ATOM   1552  HA  PRO   102     -11.366   8.095  -6.645  1.00  1.00           H
-ATOM   1549  CB  PRO   102     -12.713   8.839  -5.206  1.00  1.00           C
-ATOM   1550  CG  PRO   102     -13.872   9.771  -5.522  1.00  1.00           C
-ATOM   1551  CD  PRO   102     -13.962   9.906  -7.033  1.00  1.00           C
-ATOM   1553  HB2 PRO   102     -12.995   8.107  -4.451  1.00  1.00           H
-ATOM   1554  HB3 PRO   102     -11.864   9.395  -4.810  1.00  1.00           H
-ATOM   1555  HG2 PRO   102     -14.802   9.372  -5.118  1.00  1.00           H
-ATOM   1556  HG3 PRO   102     -13.715  10.746  -5.060  1.00  1.00           H
-ATOM   1557  HD2 PRO   102     -14.954   9.634  -7.396  1.00  1.00           H
-ATOM   1558  HD3 PRO   102     -13.778  10.932  -7.350  1.00  1.00           H
-ATOM   1559  N   LYS   103     -12.683   5.984  -5.532  1.00  1.00           N
-ATOM   1560  CA  LYS   103     -13.131   4.603  -5.480  1.00  1.00           C
-ATOM   1561  C   LYS   103     -14.375   4.508  -4.594  1.00  1.00           C
-ATOM   1562  O   LYS   103     -14.342   4.896  -3.426  1.00  1.00           O
-ATOM   1568  H   LYS   103     -12.225   6.311  -4.706  1.00  1.00           H
-ATOM   1569  HA  LYS   103     -13.407   4.310  -6.492  1.00  1.00           H
-ATOM   1563  CB  LYS   103     -11.991   3.686  -5.037  1.00  1.00           C
-ATOM   1564  CG  LYS   103     -11.122   4.364  -3.975  1.00  1.00           C
-ATOM   1565  CD  LYS   103     -10.434   3.327  -3.086  1.00  1.00           C
-ATOM   1566  CE  LYS   103     -10.257   1.999  -3.827  1.00  1.00           C
-ATOM   1567  NZ  LYS   103      -9.049   1.293  -3.346  1.00  1.00           N
-ATOM   1570  HB2 LYS   103     -12.399   2.756  -4.639  1.00  1.00           H
-ATOM   1571  HB3 LYS   103     -11.377   3.420  -5.898  1.00  1.00           H
-ATOM   1572  HG2 LYS   103     -10.372   4.989  -4.459  1.00  1.00           H
-ATOM   1573  HG3 LYS   103     -11.739   5.020  -3.361  1.00  1.00           H
-ATOM   1574  HD2 LYS   103      -9.460   3.702  -2.769  1.00  1.00           H
-ATOM   1575  HD3 LYS   103     -11.022   3.167  -2.182  1.00  1.00           H
-ATOM   1576  HE2 LYS   103     -11.136   1.373  -3.677  1.00  1.00           H
-ATOM   1577  HE3 LYS   103     -10.176   2.183  -4.899  1.00  1.00           H
-ATOM   1578  HZ1 LYS   103      -8.449   1.942  -2.877  1.00  1.00           H
-ATOM   1579  HZ2 LYS   103      -9.316   0.568  -2.712  1.00  1.00           H
-ATOM   1580  HZ3 LYS   103      -8.563   0.894  -4.124  1.00  1.00           H
-ATOM   1581  N   ARG   104     -15.445   3.992  -5.182  1.00  1.00           N
-ATOM   1582  CA  ARG   104     -16.697   3.843  -4.461  1.00  1.00           C
-ATOM   1583  C   ARG   104     -16.858   2.403  -3.970  1.00  1.00           C
-ATOM   1584  O   ARG   104     -17.380   1.552  -4.688  1.00  1.00           O
-ATOM   1592  H   ARG   104     -15.464   3.681  -6.132  1.00  1.00           H
-ATOM   1593  HA  ARG   104     -16.622   4.537  -3.624  1.00  1.00           H
-ATOM   1585  CB  ARG   104     -17.890   4.207  -5.347  1.00  1.00           C
-ATOM   1586  CG  ARG   104     -18.559   5.495  -4.862  1.00  1.00           C
-ATOM   1587  CD  ARG   104     -20.072   5.445  -5.085  1.00  1.00           C
-ATOM   1588  NE  ARG   104     -20.700   4.545  -4.092  1.00  1.00           N
-ATOM   1589  CZ  ARG   104     -20.766   4.804  -2.780  1.00  1.00           C
-ATOM   1590  NH1 ARG   104     -20.241   5.938  -2.293  1.00  1.00           N
-ATOM   1591  NH2 ARG   104     -21.355   3.931  -1.952  1.00  1.00           N
-ATOM   1594  HB2 ARG   104     -17.557   4.332  -6.378  1.00  1.00           H
-ATOM   1595  HB3 ARG   104     -18.614   3.394  -5.342  1.00  1.00           H
-ATOM   1596  HG2 ARG   104     -18.350   5.641  -3.803  1.00  1.00           H
-ATOM   1597  HG3 ARG   104     -18.138   6.350  -5.391  1.00  1.00           H
-ATOM   1598  HD2 ARG   104     -20.494   6.445  -5.000  1.00  1.00           H
-ATOM   1599  HD3 ARG   104     -20.287   5.092  -6.095  1.00  1.00           H
-ATOM   1600  HE  ARG   104     -21.101   3.690  -4.421  1.00  1.00           H
-ATOM   1601 HH11 ARG   104     -19.801   6.591  -2.911  1.00  1.00           H
-ATOM   1602 HH12 ARG   104     -20.290   6.132  -1.313  1.00  1.00           H
-ATOM   1603 HH21 ARG   104     -21.746   3.085  -2.315  1.00  1.00           H
-ATOM   1604 HH22 ARG   104     -21.404   4.125  -0.972  1.00  1.00           H
-ATOM   1605  N   GLY   105     -16.399   2.173  -2.748  1.00  1.00           N
-ATOM   1606  CA  GLY   105     -16.485   0.851  -2.152  1.00  1.00           C
-ATOM   1607  C   GLY   105     -17.876   0.603  -1.567  1.00  1.00           C
-ATOM   1608  O   GLY   105     -18.391   1.424  -0.810  1.00  1.00           O
-ATOM   1609  H   GLY   105     -15.975   2.871  -2.170  1.00  1.00           H
-ATOM   1610  HA2 GLY   105     -16.262   0.094  -2.904  1.00  1.00           H
-ATOM   1611  HA3 GLY   105     -15.734   0.753  -1.368  1.00  1.00           H
-ATOM   1612  N   ILE   106     -18.446  -0.534  -1.941  1.00  1.00           N
-ATOM   1613  CA  ILE   106     -19.768  -0.900  -1.462  1.00  1.00           C
-ATOM   1614  C   ILE   106     -19.639  -2.013  -0.420  1.00  1.00           C
-ATOM   1615  O   ILE   106     -20.084  -1.861   0.716  1.00  1.00           O
-ATOM   1620  H   ILE   106     -18.021  -1.197  -2.555  1.00  1.00           H
-ATOM   1621  HA  ILE   106     -20.196  -0.023  -0.978  1.00  1.00           H
-ATOM   1616  CB  ILE   106     -20.682  -1.260  -2.635  1.00  1.00           C
-ATOM   1617  CG1 ILE   106     -20.907  -0.051  -3.545  1.00  1.00           C
-ATOM   1618  CG2 ILE   106     -21.999  -1.859  -2.141  1.00  1.00           C
-ATOM   1619  CD1 ILE   106     -21.613  -0.461  -4.838  1.00  1.00           C
-ATOM   1622  HB  ILE   106     -20.185  -2.024  -3.233  1.00  1.00           H
-ATOM   1623 HG12 ILE   106     -21.504   0.696  -3.023  1.00  1.00           H
-ATOM   1624 HG13 ILE   106     -19.950   0.415  -3.781  1.00  1.00           H
-ATOM   1625 HG21 ILE   106     -22.021  -1.840  -1.051  1.00  1.00           H
-ATOM   1626 HG22 ILE   106     -22.833  -1.275  -2.531  1.00  1.00           H
-ATOM   1627 HG23 ILE   106     -22.084  -2.889  -2.488  1.00  1.00           H
-ATOM   1628 HD11 ILE   106     -22.563  -0.940  -4.598  1.00  1.00           H
-ATOM   1629 HD12 ILE   106     -21.797   0.423  -5.449  1.00  1.00           H
-ATOM   1630 HD13 ILE   106     -20.983  -1.161  -5.390  1.00  1.00           H
-ATOM   1631  N   HIS   107     -19.026  -3.109  -0.845  1.00  1.00           N
-ATOM   1632  CA  HIS   107     -18.832  -4.247   0.038  1.00  1.00           C
-ATOM   1633  C   HIS   107     -20.141  -4.564   0.762  1.00  1.00           C
-ATOM   1634  O   HIS   107     -20.130  -5.144   1.846  1.00  1.00           O
-ATOM   1641  H   HIS   107     -18.666  -3.226  -1.771  1.00  1.00           H
-ATOM   1642  HA  HIS   107     -18.564  -5.092  -0.597  1.00  1.00           H
-ATOM   1635  CB  HIS   107     -17.667  -3.998   0.997  1.00  1.00           C
-ATOM   1636  CG  HIS   107     -17.561  -2.571   1.477  1.00  1.00           C
-ATOM   1637  ND1 HIS   107     -16.679  -1.658   0.926  1.00  1.00           N
-ATOM   1638  CD2 HIS   107     -18.237  -1.908   2.460  1.00  1.00           C
-ATOM   1639  CE1 HIS   107     -16.824  -0.502   1.556  1.00  1.00           C
-ATOM   1640  NE2 HIS   107     -17.789  -0.659   2.508  1.00  1.00           N
-ATOM   1643  HB2 HIS   107     -17.775  -4.653   1.862  1.00  1.00           H
-ATOM   1644  HB3 HIS   107     -16.736  -4.274   0.503  1.00  1.00           H
-ATOM   1645  HD1 HIS   107     -16.040  -1.840   0.177  1.00  1.00           H
-ATOM   1646  HD2 HIS   107     -19.010  -2.333   3.099  1.00  1.00           H
-ATOM   1647  HE1 HIS   107     -16.270   0.415   1.351  1.00  1.00           H
-ATOM   1648  N   ARG   108     -21.238  -4.171   0.133  1.00  1.00           N
-ATOM   1649  CA  ARG   108     -22.553  -4.404   0.705  1.00  1.00           C
-ATOM   1650  C   ARG   108     -22.526  -4.164   2.216  1.00  1.00           C
-ATOM   1651  O   ARG   108     -22.692  -3.034   2.672  1.00  1.00           O
-ATOM   1659  H   ARG   108     -21.239  -3.699  -0.748  1.00  1.00           H
-ATOM   1660  HA  ARG   108     -23.207  -3.688   0.205  1.00  1.00           H
-ATOM   1652  CB  ARG   108     -23.026  -5.833   0.430  1.00  1.00           C
-ATOM   1653  CG  ARG   108     -23.876  -5.895  -0.840  1.00  1.00           C
-ATOM   1654  CD  ARG   108     -23.053  -5.509  -2.069  1.00  1.00           C
-ATOM   1655  NE  ARG   108     -23.759  -4.465  -2.845  1.00  1.00           N
-ATOM   1656  CZ  ARG   108     -23.986  -4.533  -4.165  1.00  1.00           C
-ATOM   1657  NH1 ARG   108     -23.564  -5.596  -4.863  1.00  1.00           N
-ATOM   1658  NH2 ARG   108     -24.637  -3.539  -4.784  1.00  1.00           N
-ATOM   1661  HB2 ARG   108     -22.164  -6.492   0.328  1.00  1.00           H
-ATOM   1662  HB3 ARG   108     -23.606  -6.198   1.279  1.00  1.00           H
-ATOM   1663  HG2 ARG   108     -24.275  -6.902  -0.966  1.00  1.00           H
-ATOM   1664  HG3 ARG   108     -24.730  -5.224  -0.743  1.00  1.00           H
-ATOM   1665  HD2 ARG   108     -22.073  -5.144  -1.762  1.00  1.00           H
-ATOM   1666  HD3 ARG   108     -22.885  -6.386  -2.695  1.00  1.00           H
-ATOM   1667  HE  ARG   108     -24.089  -3.658  -2.354  1.00  1.00           H
-ATOM   1668 HH11 ARG   108     -23.080  -6.337  -4.400  1.00  1.00           H
-ATOM   1669 HH12 ARG   108     -23.734  -5.647  -5.847  1.00  1.00           H
-ATOM   1670 HH21 ARG   108     -24.951  -2.746  -4.263  1.00  1.00           H
-ATOM   1671 HH22 ARG   108     -24.807  -3.590  -5.768  1.00  1.00           H
-ATOM   1672  N   ASP   109     -22.314  -5.247   2.951  1.00  1.00           N
-ATOM   1673  CA  ASP   109     -22.263  -5.168   4.401  1.00  1.00           C
-ATOM   1674  C   ASP   109     -23.391  -4.261   4.898  1.00  1.00           C
-ATOM   1675  O   ASP   109     -24.249  -3.911   4.059  1.00  1.00           O
-ATOM   1681  H   ASP   109     -22.181  -6.162   2.571  1.00  1.00           H
-ATOM   1682  HA  ASP   109     -22.371  -6.196   4.747  1.00  1.00           H
-ATOM   1676  CB  ASP   109     -20.935  -4.574   4.873  1.00  1.00           C
-ATOM   1677  CG  ASP   109     -20.329  -5.246   6.107  1.00  1.00           C
-ATOM   1678  OD1 ASP   109     -20.336  -6.535   6.085  1.00  1.00           O
-ATOM   1679  OD2 ASP   109     -19.873  -4.570   7.043  1.00  1.00           O
-ATOM   1683  HB2 ASP   109     -20.216  -4.634   4.055  1.00  1.00           H
-ATOM   1684  HB3 ASP   109     -21.085  -3.516   5.090  1.00  1.00           H
-ATOM   1680  OXT ASP   109     -23.431  -3.904   6.075  1.00  1.00           O
-TER
-END
diff --git a/Mobi/data/stdout3 b/Mobi/data/stdout3
deleted file mode 100644
index ce56d67..0000000
--- a/Mobi/data/stdout3
+++ /dev/null
@@ -1,1695 +0,0 @@
-SEQRES   0   109   GLY SER GLY ASN SER LEU GLU LYS HIS SER TRP TYR HIS 
-SEQRES   1   109   GLY PRO VAL SER ARG ASN ALA ALA GLU TYR LEU LEU SER 
-SEQRES   2   109   SER GLY ILE ASN GLY SER PHE LEU VAL ARG GLU SER GLU 
-SEQRES   3   109   SER SER PRO GLY GLN ARG SER ILE SER LEU ARG TYR GLU 
-SEQRES   4   109   GLY ARG VAL TYR HIS TYR ARG ILE ASN THR ALA SER ASP 
-SEQRES   5   109   GLY LYS LEU TYR VAL SER SER GLU SER ARG PHE ASN THR 
-SEQRES   6   109   LEU ALA GLU LEU VAL HIS HIS HIS SER THR VAL ALA ASP 
-SEQRES   7   109   GLY LEU ILE THR THR LEU HIS TYR PRO ALA PRO LYS ARG 
-SEQRES   9   109   GLY ILE HIS ARG ASP 
-ATOM      1  N   GLY     1      -9.223   0.782   9.655  1.00  1.00           N
-ATOM      2  CA  GLY     1      -9.830   1.489   8.541  1.00  1.00           C
-ATOM      3  C   GLY     1      -9.954   0.580   7.315  1.00  1.00           C
-ATOM      4  O   GLY     1      -9.059   0.543   6.473  1.00  1.00           O
-ATOM      5  H1  GLY     1      -9.538  -0.182   9.656  1.00  1.00           H
-ATOM      6  H2  GLY     1      -8.214   0.808   9.563  1.00  1.00           H
-ATOM      7  H3  GLY     1      -9.494   1.226  10.526  1.00  1.00           H
-ATOM      8  HA2 GLY     1     -10.815   1.853   8.830  1.00  1.00           H
-ATOM      9  HA3 GLY     1      -9.228   2.363   8.290  1.00  1.00           H
-ATOM     10  N   SER     2     -11.070  -0.131   7.257  1.00  1.00           N
-ATOM     11  CA  SER     2     -11.323  -1.037   6.149  1.00  1.00           C
-ATOM     12  C   SER     2     -12.109  -0.317   5.052  1.00  1.00           C
-ATOM     13  O   SER     2     -13.085   0.376   5.337  1.00  1.00           O
-ATOM     16  H   SER     2     -11.793  -0.095   7.946  1.00  1.00           H
-ATOM     17  HA  SER     2     -10.337  -1.329   5.786  1.00  1.00           H
-ATOM     14  CB  SER     2     -12.082  -2.280   6.618  1.00  1.00           C
-ATOM     15  OG  SER     2     -13.199  -1.947   7.436  1.00  1.00           O
-ATOM     18  HB2 SER     2     -12.423  -2.844   5.751  1.00  1.00           H
-ATOM     19  HB3 SER     2     -11.405  -2.929   7.174  1.00  1.00           H
-ATOM     20  HG  SER     2     -13.927  -1.552   6.875  1.00  1.00           H
-ATOM     21  N   GLY     3     -11.654  -0.504   3.822  1.00  1.00           N
-ATOM     22  CA  GLY     3     -12.305   0.119   2.681  1.00  1.00           C
-ATOM     23  C   GLY     3     -11.365   0.168   1.476  1.00  1.00           C
-ATOM     24  O   GLY     3     -11.464  -0.659   0.571  1.00  1.00           O
-ATOM     25  H   GLY     3     -10.860  -1.070   3.600  1.00  1.00           H
-ATOM     26  HA2 GLY     3     -13.205  -0.439   2.422  1.00  1.00           H
-ATOM     27  HA3 GLY     3     -12.619   1.128   2.944  1.00  1.00           H
-ATOM     28  N   ASN     4     -10.472   1.148   1.501  1.00  1.00           N
-ATOM     29  CA  ASN     4      -9.515   1.316   0.422  1.00  1.00           C
-ATOM     30  C   ASN     4      -8.125   1.567   1.012  1.00  1.00           C
-ATOM     31  O   ASN     4      -8.000   1.923   2.183  1.00  1.00           O
-ATOM     36  H   ASN     4     -10.397   1.815   2.242  1.00  1.00           H
-ATOM     37  HA  ASN     4      -9.563   0.390  -0.152  1.00  1.00           H
-ATOM     32  CB  ASN     4      -9.879   2.516  -0.456  1.00  1.00           C
-ATOM     33  CG  ASN     4      -9.449   2.286  -1.904  1.00  1.00           C
-ATOM     34  OD1 ASN     4     -10.077   1.561  -2.659  1.00  1.00           O
-ATOM     35  ND2 ASN     4      -8.347   2.944  -2.253  1.00  1.00           N
-ATOM     38  HB2 ASN     4     -10.955   2.688  -0.414  1.00  1.00           H
-ATOM     39  HB3 ASN     4      -9.398   3.414  -0.067  1.00  1.00           H
-ATOM     40 HD21 ASN     4      -7.879   3.524  -1.586  1.00  1.00           H
-ATOM     41 HD22 ASN     4      -7.986   2.858  -3.182  1.00  1.00           H
-ATOM     42  N   SER     5      -7.118   1.372   0.174  1.00  1.00           N
-ATOM     43  CA  SER     5      -5.743   1.573   0.599  1.00  1.00           C
-ATOM     44  C   SER     5      -5.004   2.448  -0.416  1.00  1.00           C
-ATOM     45  O   SER     5      -5.477   2.640  -1.535  1.00  1.00           O
-ATOM     48  H   SER     5      -7.228   1.083  -0.775  1.00  1.00           H
-ATOM     49  HA  SER     5      -5.809   2.078   1.561  1.00  1.00           H
-ATOM     46  CB  SER     5      -5.019   0.236   0.773  1.00  1.00           C
-ATOM     47  OG  SER     5      -4.955  -0.500  -0.446  1.00  1.00           O
-ATOM     50  HB2 SER     5      -4.009   0.415   1.140  1.00  1.00           H
-ATOM     51  HB3 SER     5      -5.533  -0.358   1.528  1.00  1.00           H
-ATOM     52  HG  SER     5      -5.342  -1.412  -0.316  1.00  1.00           H
-ATOM     53  N   LEU     6      -3.857   2.954   0.010  1.00  1.00           N
-ATOM     54  CA  LEU     6      -3.049   3.804  -0.847  1.00  1.00           C
-ATOM     55  C   LEU     6      -3.955   4.804  -1.567  1.00  1.00           C
-ATOM     56  O   LEU     6      -3.758   5.088  -2.747  1.00  1.00           O
-ATOM     61  H   LEU     6      -3.480   2.793   0.922  1.00  1.00           H
-ATOM     62  HA  LEU     6      -2.363   4.358  -0.205  1.00  1.00           H
-ATOM     57  CB  LEU     6      -2.197   2.955  -1.793  1.00  1.00           C
-ATOM     58  CG  LEU     6      -2.945   2.277  -2.942  1.00  1.00           C
-ATOM     59  CD1 LEU     6      -2.170   2.408  -4.255  1.00  1.00           C
-ATOM     60  CD2 LEU     6      -3.258   0.817  -2.606  1.00  1.00           C
-ATOM     63  HB2 LEU     6      -1.417   3.589  -2.218  1.00  1.00           H
-ATOM     64  HB3 LEU     6      -1.696   2.185  -1.207  1.00  1.00           H
-ATOM     65  HG  LEU     6      -3.898   2.788  -3.078  1.00  1.00           H
-ATOM     66 HD11 LEU     6      -1.984   3.462  -4.462  1.00  1.00           H
-ATOM     67 HD12 LEU     6      -1.221   1.880  -4.170  1.00  1.00           H
-ATOM     68 HD13 LEU     6      -2.755   1.976  -5.067  1.00  1.00           H
-ATOM     69 HD21 LEU     6      -2.510   0.435  -1.914  1.00  1.00           H
-ATOM     70 HD22 LEU     6      -4.245   0.754  -2.146  1.00  1.00           H
-ATOM     71 HD23 LEU     6      -3.247   0.222  -3.520  1.00  1.00           H
-ATOM     72  N   GLU     7      -4.929   5.312  -0.825  1.00  1.00           N
-ATOM     73  CA  GLU     7      -5.866   6.275  -1.377  1.00  1.00           C
-ATOM     74  C   GLU     7      -5.205   7.650  -1.499  1.00  1.00           C
-ATOM     75  O   GLU     7      -5.558   8.578  -0.775  1.00  1.00           O
-ATOM     81  H   GLU     7      -5.081   5.075   0.135  1.00  1.00           H
-ATOM     82  HA  GLU     7      -6.119   5.897  -2.368  1.00  1.00           H
-ATOM     76  CB  GLU     7      -7.137   6.351  -0.529  1.00  1.00           C
-ATOM     77  CG  GLU     7      -8.373   6.007  -1.363  1.00  1.00           C
-ATOM     78  CD  GLU     7      -9.393   7.149  -1.327  1.00  1.00           C
-ATOM     79  OE1 GLU     7      -9.898   7.496  -0.250  1.00  1.00           O
-ATOM     80  OE2 GLU     7      -9.654   7.680  -2.473  1.00  1.00           O
-ATOM     83  HB2 GLU     7      -7.059   5.663   0.312  1.00  1.00           H
-ATOM     84  HB3 GLU     7      -7.241   7.353  -0.114  1.00  1.00           H
-ATOM     85  HG2 GLU     7      -8.079   5.811  -2.393  1.00  1.00           H
-ATOM     86  HG3 GLU     7      -8.831   5.094  -0.982  1.00  1.00           H
-ATOM     87  N   LYS     8      -4.258   7.735  -2.421  1.00  1.00           N
-ATOM     88  CA  LYS     8      -3.544   8.980  -2.648  1.00  1.00           C
-ATOM     89  C   LYS     8      -4.544  10.076  -3.020  1.00  1.00           C
-ATOM     90  O   LYS     8      -5.380  10.462  -2.205  1.00  1.00           O
-ATOM     96  H   LYS     8      -3.977   6.975  -3.007  1.00  1.00           H
-ATOM     97  HA  LYS     8      -3.062   9.257  -1.709  1.00  1.00           H
-ATOM     91  CB  LYS     8      -2.436   8.782  -3.685  1.00  1.00           C
-ATOM     92  CG  LYS     8      -1.359   9.860  -3.548  1.00  1.00           C
-ATOM     93  CD  LYS     8      -0.907  10.360  -4.921  1.00  1.00           C
-ATOM     94  CE  LYS     8       0.614  10.271  -5.064  1.00  1.00           C
-ATOM     95  NZ  LYS     8       1.026   8.877  -5.345  1.00  1.00           N
-ATOM     98  HB2 LYS     8      -1.987   7.797  -3.558  1.00  1.00           H
-ATOM     99  HB3 LYS     8      -2.861   8.813  -4.687  1.00  1.00           H
-ATOM    100  HG2 LYS     8      -1.746  10.695  -2.963  1.00  1.00           H
-ATOM    101  HG3 LYS     8      -0.503   9.460  -3.004  1.00  1.00           H
-ATOM    102  HD2 LYS     8      -1.385   9.770  -5.703  1.00  1.00           H
-ATOM    103  HD3 LYS     8      -1.229  11.392  -5.061  1.00  1.00           H
-ATOM    104  HE2 LYS     8       0.948  10.926  -5.869  1.00  1.00           H
-ATOM    105  HE3 LYS     8       1.093  10.621  -4.149  1.00  1.00           H
-ATOM    106  HZ1 LYS     8       0.392   8.239  -4.887  1.00  1.00           H
-ATOM    107  HZ2 LYS     8       1.020   8.671  -6.338  1.00  1.00           H
-ATOM    108  HZ3 LYS     8       1.964   8.728  -4.998  1.00  1.00           H
-ATOM    109  N   HIS     9      -4.427  10.547  -4.253  1.00  1.00           N
-ATOM    110  CA  HIS     9      -5.310  11.591  -4.743  1.00  1.00           C
-ATOM    111  C   HIS     9      -6.729  11.037  -4.885  1.00  1.00           C
-ATOM    112  O   HIS     9      -6.978   9.870  -4.584  1.00  1.00           O
-ATOM    119  H   HIS     9      -3.744  10.228  -4.910  1.00  1.00           H
-ATOM    120  HA  HIS     9      -5.311  12.380  -3.991  1.00  1.00           H
-ATOM    113  CB  HIS     9      -4.775  12.189  -6.045  1.00  1.00           C
-ATOM    114  CG  HIS     9      -3.579  13.091  -5.860  1.00  1.00           C
-ATOM    115  ND1 HIS     9      -2.762  13.033  -4.744  1.00  1.00           N
-ATOM    116  CD2 HIS     9      -3.068  14.071  -6.659  1.00  1.00           C
-ATOM    117  CE1 HIS     9      -1.808  13.943  -4.876  1.00  1.00           C
-ATOM    118  NE2 HIS     9      -1.999  14.585  -6.064  1.00  1.00           N
-ATOM    121  HB2 HIS     9      -4.505  11.378  -6.721  1.00  1.00           H
-ATOM    122  HB3 HIS     9      -5.572  12.754  -6.529  1.00  1.00           H
-ATOM    123  HD1 HIS     9      -2.873  12.411  -3.970  1.00  1.00           H
-ATOM    124  HD2 HIS     9      -3.471  14.380  -7.625  1.00  1.00           H
-ATOM    125  HE1 HIS     9      -1.010  14.143  -4.162  1.00  1.00           H
-ATOM    126  N   SER    10      -7.625  11.900  -5.343  1.00  1.00           N
-ATOM    127  CA  SER    10      -9.013  11.512  -5.530  1.00  1.00           C
-ATOM    128  C   SER    10      -9.161  10.698  -6.816  1.00  1.00           C
-ATOM    129  O   SER    10     -10.269  10.325  -7.194  1.00  1.00           O
-ATOM    132  H   SER    10      -7.415  12.848  -5.586  1.00  1.00           H
-ATOM    133  HA  SER    10      -9.261  10.901  -4.661  1.00  1.00           H
-ATOM    130  CB  SER    10      -9.927  12.738  -5.567  1.00  1.00           C
-ATOM    131  OG  SER    10      -9.302  13.850  -6.202  1.00  1.00           O
-ATOM    134  HB2 SER    10     -10.847  12.487  -6.096  1.00  1.00           H
-ATOM    135  HB3 SER    10     -10.209  13.012  -4.551  1.00  1.00           H
-ATOM    136  HG  SER    10      -8.672  13.530  -6.910  1.00  1.00           H
-ATOM    137  N   TRP    11      -8.027  10.448  -7.455  1.00  1.00           N
-ATOM    138  CA  TRP    11      -8.017   9.687  -8.692  1.00  1.00           C
-ATOM    139  C   TRP    11      -7.144   8.449  -8.478  1.00  1.00           C
-ATOM    140  O   TRP    11      -6.957   7.650  -9.394  1.00  1.00           O
-ATOM    151  H   TRP    11      -7.129  10.756  -7.141  1.00  1.00           H
-ATOM    152  HA  TRP    11      -9.042   9.387  -8.907  1.00  1.00           H
-ATOM    141  CB  TRP    11      -7.549  10.551  -9.864  1.00  1.00           C
-ATOM    142  CG  TRP    11      -6.345  11.440  -9.543  1.00  1.00           C
-ATOM    143  CD1 TRP    11      -6.302  12.776  -9.476  1.00  1.00           C
-ATOM    144  CD2 TRP    11      -5.005  10.994  -9.246  1.00  1.00           C
-ATOM    145  NE1 TRP    11      -5.035  13.225  -9.159  1.00  1.00           N
-ATOM    146  CE2 TRP    11      -4.222  12.107  -9.014  1.00  1.00           C
-ATOM    147  CE3 TRP    11      -4.472   9.695  -9.174  1.00  1.00           C
-ATOM    148  CZ2 TRP    11      -2.861  12.034  -8.695  1.00  1.00           C
-ATOM    149  CZ3 TRP    11      -3.111   9.639  -8.856  1.00  1.00           C
-ATOM    150  CH2 TRP    11      -2.308  10.749  -8.620  1.00  1.00           C
-ATOM    153  HB2 TRP    11      -7.296   9.902 -10.703  1.00  1.00           H
-ATOM    154  HB3 TRP    11      -8.377  11.183 -10.189  1.00  1.00           H
-ATOM    155  HD1 TRP    11      -7.156  13.428  -9.651  1.00  1.00           H
-ATOM    156  HE1 TRP    11      -4.729  14.264  -9.042  1.00  1.00           H
-ATOM    157  HE3 TRP    11      -5.070   8.801  -9.354  1.00  1.00           H
-ATOM    158  HZ2 TRP    11      -2.263  12.927  -8.517  1.00  1.00           H
-ATOM    159  HZ3 TRP    11      -2.646   8.655  -8.787  1.00  1.00           H
-ATOM    160  HH2 TRP    11      -1.253  10.620  -8.376  1.00  1.00           H
-ATOM    161  N   TYR    12      -6.631   8.328  -7.261  1.00  1.00           N
-ATOM    162  CA  TYR    12      -5.783   7.201  -6.915  1.00  1.00           C
-ATOM    163  C   TYR    12      -6.386   6.394  -5.764  1.00  1.00           C
-ATOM    164  O   TYR    12      -6.521   6.899  -4.650  1.00  1.00           O
-ATOM    173  H   TYR    12      -6.788   8.983  -6.522  1.00  1.00           H
-ATOM    174  HA  TYR    12      -5.699   6.560  -7.792  1.00  1.00           H
-ATOM    165  CB  TYR    12      -4.451   7.801  -6.460  1.00  1.00           C
-ATOM    166  CG  TYR    12      -3.264   6.843  -6.581  1.00  1.00           C
-ATOM    167  CD1 TYR    12      -3.450   5.486  -6.408  1.00  1.00           C
-ATOM    168  CD2 TYR    12      -2.006   7.335  -6.865  1.00  1.00           C
-ATOM    169  CE1 TYR    12      -2.332   4.586  -6.523  1.00  1.00           C
-ATOM    170  CE2 TYR    12      -0.888   6.435  -6.978  1.00  1.00           C
-ATOM    171  CZ  TYR    12      -1.106   5.105  -6.803  1.00  1.00           C
-ATOM    172  OH  TYR    12      -0.052   4.253  -6.910  1.00  1.00           O
-ATOM    175  HB2 TYR    12      -4.245   8.694  -7.049  1.00  1.00           H
-ATOM    176  HB3 TYR    12      -4.543   8.118  -5.422  1.00  1.00           H
-ATOM    177  HD1 TYR    12      -4.443   5.098  -6.185  1.00  1.00           H
-ATOM    178  HD2 TYR    12      -1.859   8.407  -7.001  1.00  1.00           H
-ATOM    179  HE1 TYR    12      -2.466   3.512  -6.388  1.00  1.00           H
-ATOM    180  HE2 TYR    12       0.111   6.811  -7.202  1.00  1.00           H
-ATOM    181  HH  TYR    12      -0.199   3.622  -7.673  1.00  1.00           H
-ATOM    182  N   HIS    13      -6.732   5.153  -6.071  1.00  1.00           N
-ATOM    183  CA  HIS    13      -7.318   4.271  -5.075  1.00  1.00           C
-ATOM    184  C   HIS    13      -6.467   3.005  -4.948  1.00  1.00           C
-ATOM    185  O   HIS    13      -5.932   2.717  -3.878  1.00  1.00           O
-ATOM    192  H   HIS    13      -6.619   4.749  -6.980  1.00  1.00           H
-ATOM    193  HA  HIS    13      -7.295   4.811  -4.128  1.00  1.00           H
-ATOM    186  CB  HIS    13      -8.780   3.972  -5.407  1.00  1.00           C
-ATOM    187  CG  HIS    13      -9.007   3.520  -6.830  1.00  1.00           C
-ATOM    188  ND1 HIS    13      -9.663   2.342  -7.148  1.00  1.00           N
-ATOM    189  CD2 HIS    13      -8.661   4.099  -8.016  1.00  1.00           C
-ATOM    190  CE1 HIS    13      -9.702   2.228  -8.467  1.00  1.00           C
-ATOM    191  NE2 HIS    13      -9.080   3.316  -9.003  1.00  1.00           N
-ATOM    194  HB2 HIS    13      -9.146   3.201  -4.729  1.00  1.00           H
-ATOM    195  HB3 HIS    13      -9.374   4.866  -5.223  1.00  1.00           H
-ATOM    196  HD1 HIS    13     -10.042   1.690  -6.492  1.00  1.00           H
-ATOM    197  HD2 HIS    13      -8.129   5.043  -8.131  1.00  1.00           H
-ATOM    198  HE1 HIS    13     -10.153   1.407  -9.026  1.00  1.00           H
-ATOM    199  N   GLY    14      -6.370   2.282  -6.054  1.00  1.00           N
-ATOM    200  CA  GLY    14      -5.595   1.054  -6.079  1.00  1.00           C
-ATOM    201  C   GLY    14      -5.351   0.590  -7.517  1.00  1.00           C
-ATOM    202  O   GLY    14      -6.092   0.958  -8.427  1.00  1.00           O
-ATOM    203  H   GLY    14      -6.809   2.524  -6.921  1.00  1.00           H
-ATOM    204  HA2 GLY    14      -4.640   1.212  -5.578  1.00  1.00           H
-ATOM    205  HA3 GLY    14      -6.121   0.276  -5.527  1.00  1.00           H
-ATOM    206  N   PRO    15      -4.281  -0.233  -7.682  1.00  1.00           N
-ATOM    207  CA  PRO    15      -3.928  -0.751  -8.992  1.00  1.00           C
-ATOM    208  C   PRO    15      -4.891  -1.862  -9.420  1.00  1.00           C
-ATOM    209  O   PRO    15      -5.060  -2.848  -8.706  1.00  1.00           O
-ATOM    213  HA  PRO    15      -4.015  -0.033  -9.684  1.00  1.00           H
-ATOM    210  CB  PRO    15      -2.493  -1.230  -8.854  1.00  1.00           C
-ATOM    211  CG  PRO    15      -2.248  -1.390  -7.362  1.00  1.00           C
-ATOM    212  CD  PRO    15      -3.379  -0.689  -6.627  1.00  1.00           C
-ATOM    214  HB2 PRO    15      -2.343  -2.174  -9.377  1.00  1.00           H
-ATOM    215  HB3 PRO    15      -1.797  -0.512  -9.288  1.00  1.00           H
-ATOM    216  HG2 PRO    15      -2.214  -2.446  -7.092  1.00  1.00           H
-ATOM    217  HG3 PRO    15      -1.286  -0.959  -7.084  1.00  1.00           H
-ATOM    218  HD2 PRO    15      -3.886  -1.367  -5.940  1.00  1.00           H
-ATOM    219  HD3 PRO    15      -3.007   0.147  -6.033  1.00  1.00           H
-ATOM    220  N   VAL    16      -5.495  -1.661 -10.582  1.00  1.00           N
-ATOM    221  CA  VAL    16      -6.436  -2.633 -11.112  1.00  1.00           C
-ATOM    222  C   VAL    16      -6.411  -2.580 -12.641  1.00  1.00           C
-ATOM    223  O   VAL    16      -5.860  -1.646 -13.222  1.00  1.00           O
-ATOM    227  H   VAL    16      -5.352  -0.855 -11.155  1.00  1.00           H
-ATOM    228  HA  VAL    16      -6.105  -3.622 -10.789  1.00  1.00           H
-ATOM    224  CB  VAL    16      -7.829  -2.387 -10.528  1.00  1.00           C
-ATOM    225  CG1 VAL    16      -8.813  -3.465 -10.985  1.00  1.00           C
-ATOM    226  CG2 VAL    16      -7.776  -2.304  -9.001  1.00  1.00           C
-ATOM    229  HB  VAL    16      -8.183  -1.427 -10.903  1.00  1.00           H
-ATOM    230 HG11 VAL    16      -8.408  -4.450 -10.752  1.00  1.00           H
-ATOM    231 HG12 VAL    16      -9.763  -3.332 -10.467  1.00  1.00           H
-ATOM    232 HG13 VAL    16      -8.970  -3.381 -12.059  1.00  1.00           H
-ATOM    233 HG21 VAL    16      -7.249  -3.174  -8.607  1.00  1.00           H
-ATOM    234 HG22 VAL    16      -7.251  -1.396  -8.703  1.00  1.00           H
-ATOM    235 HG23 VAL    16      -8.790  -2.285  -8.603  1.00  1.00           H
-ATOM    236  N   SER    17      -7.013  -3.592 -13.246  1.00  1.00           N
-ATOM    237  CA  SER    17      -7.066  -3.672 -14.696  1.00  1.00           C
-ATOM    238  C   SER    17      -8.082  -2.664 -15.238  1.00  1.00           C
-ATOM    239  O   SER    17      -9.062  -2.344 -14.569  1.00  1.00           O
-ATOM    242  H   SER    17      -7.458  -4.347 -12.765  1.00  1.00           H
-ATOM    243  HA  SER    17      -6.062  -3.424 -15.036  1.00  1.00           H
-ATOM    240  CB  SER    17      -7.425  -5.085 -15.158  1.00  1.00           C
-ATOM    241  OG  SER    17      -7.163  -5.278 -16.544  1.00  1.00           O
-ATOM    244  HB2 SER    17      -6.855  -5.812 -14.577  1.00  1.00           H
-ATOM    245  HB3 SER    17      -8.479  -5.277 -14.957  1.00  1.00           H
-ATOM    246  HG  SER    17      -7.141  -4.395 -17.014  1.00  1.00           H
-ATOM    247  N   ARG    18      -7.809  -2.190 -16.445  1.00  1.00           N
-ATOM    248  CA  ARG    18      -8.687  -1.224 -17.085  1.00  1.00           C
-ATOM    249  C   ARG    18     -10.148  -1.645 -16.924  1.00  1.00           C
-ATOM    250  O   ARG    18     -11.038  -0.800 -16.854  1.00  1.00           O
-ATOM    258  H   ARG    18      -7.009  -2.455 -16.984  1.00  1.00           H
-ATOM    259  HA  ARG    18      -8.489  -0.285 -16.569  1.00  1.00           H
-ATOM    251  CB  ARG    18      -8.363  -1.089 -18.574  1.00  1.00           C
-ATOM    252  CG  ARG    18      -9.286  -1.970 -19.419  1.00  1.00           C
-ATOM    253  CD  ARG    18      -8.750  -2.120 -20.843  1.00  1.00           C
-ATOM    254  NE  ARG    18      -7.491  -2.901 -20.830  1.00  1.00           N
-ATOM    255  CZ  ARG    18      -6.573  -2.862 -21.804  1.00  1.00           C
-ATOM    256  NH1 ARG    18      -6.766  -2.082 -22.876  1.00  1.00           N
-ATOM    257  NH2 ARG    18      -5.461  -3.605 -21.708  1.00  1.00           N
-ATOM    260  HB2 ARG    18      -8.469  -0.048 -18.880  1.00  1.00           H
-ATOM    261  HB3 ARG    18      -7.325  -1.369 -18.753  1.00  1.00           H
-ATOM    262  HG2 ARG    18      -9.381  -2.953 -18.954  1.00  1.00           H
-ATOM    263  HG3 ARG    18     -10.285  -1.534 -19.446  1.00  1.00           H
-ATOM    264  HD2 ARG    18      -9.490  -2.620 -21.469  1.00  1.00           H
-ATOM    265  HD3 ARG    18      -8.573  -1.138 -21.280  1.00  1.00           H
-ATOM    266  HE  ARG    18      -7.317  -3.495 -20.043  1.00  1.00           H
-ATOM    267 HH11 ARG    18      -7.596  -1.528 -22.949  1.00  1.00           H
-ATOM    268 HH12 ARG    18      -6.080  -2.053 -23.603  1.00  1.00           H
-ATOM    269 HH21 ARG    18      -5.318  -4.187 -20.907  1.00  1.00           H
-ATOM    270 HH22 ARG    18      -4.776  -3.575 -22.435  1.00  1.00           H
-ATOM    271  N   ASN    19     -10.351  -2.955 -16.870  1.00  1.00           N
-ATOM    272  CA  ASN    19     -11.690  -3.498 -16.718  1.00  1.00           C
-ATOM    273  C   ASN    19     -12.440  -2.705 -15.647  1.00  1.00           C
-ATOM    274  O   ASN    19     -13.493  -2.129 -15.920  1.00  1.00           O
-ATOM    279  H   ASN    19      -9.621  -3.636 -16.929  1.00  1.00           H
-ATOM    280  HA  ASN    19     -12.148  -3.409 -17.703  1.00  1.00           H
-ATOM    275  CB  ASN    19     -11.642  -4.962 -16.276  1.00  1.00           C
-ATOM    276  CG  ASN    19     -12.113  -5.890 -17.398  1.00  1.00           C
-ATOM    277  OD1 ASN    19     -13.147  -6.533 -17.313  1.00  1.00           O
-ATOM    278  ND2 ASN    19     -11.300  -5.924 -18.449  1.00  1.00           N
-ATOM    281  HB2 ASN    19     -10.624  -5.226 -15.985  1.00  1.00           H
-ATOM    282  HB3 ASN    19     -12.271  -5.101 -15.396  1.00  1.00           H
-ATOM    283 HD21 ASN    19     -10.468  -5.372 -18.454  1.00  1.00           H
-ATOM    284 HD22 ASN    19     -11.523  -6.503 -19.235  1.00  1.00           H
-ATOM    285  N   ALA    20     -11.868  -2.699 -14.452  1.00  1.00           N
-ATOM    286  CA  ALA    20     -12.470  -1.985 -13.339  1.00  1.00           C
-ATOM    287  C   ALA    20     -12.446  -0.482 -13.629  1.00  1.00           C
-ATOM    288  O   ALA    20     -13.396   0.230 -13.312  1.00  1.00           O
-ATOM    290  H   ALA    20     -11.011  -3.169 -14.240  1.00  1.00           H
-ATOM    291  HA  ALA    20     -13.506  -2.313 -13.255  1.00  1.00           H
-ATOM    289  CB  ALA    20     -11.734  -2.341 -12.046  1.00  1.00           C
-ATOM    292  HB1 ALA    20     -11.523  -3.411 -12.031  1.00  1.00           H
-ATOM    293  HB2 ALA    20     -10.798  -1.786 -11.996  1.00  1.00           H
-ATOM    294  HB3 ALA    20     -12.356  -2.081 -11.190  1.00  1.00           H
-ATOM    295  N   ALA    21     -11.348  -0.046 -14.227  1.00  1.00           N
-ATOM    296  CA  ALA    21     -11.186   1.358 -14.564  1.00  1.00           C
-ATOM    297  C   ALA    21     -12.476   1.877 -15.201  1.00  1.00           C
-ATOM    298  O   ALA    21     -12.989   2.926 -14.808  1.00  1.00           O
-ATOM    300  H   ALA    21     -10.578  -0.632 -14.482  1.00  1.00           H
-ATOM    301  HA  ALA    21     -11.004   1.903 -13.638  1.00  1.00           H
-ATOM    299  CB  ALA    21      -9.975   1.528 -15.482  1.00  1.00           C
-ATOM    302  HB1 ALA    21      -9.155   0.908 -15.120  1.00  1.00           H
-ATOM    303  HB2 ALA    21     -10.241   1.224 -16.495  1.00  1.00           H
-ATOM    304  HB3 ALA    21      -9.665   2.574 -15.486  1.00  1.00           H
-ATOM    305  N   GLU    22     -12.968   1.120 -16.171  1.00  1.00           N
-ATOM    306  CA  GLU    22     -14.188   1.491 -16.864  1.00  1.00           C
-ATOM    307  C   GLU    22     -15.397   1.313 -15.944  1.00  1.00           C
-ATOM    308  O   GLU    22     -16.385   2.036 -16.064  1.00  1.00           O
-ATOM    314  H   GLU    22     -12.544   0.270 -16.484  1.00  1.00           H
-ATOM    315  HA  GLU    22     -14.068   2.544 -17.121  1.00  1.00           H
-ATOM    309  CB  GLU    22     -14.356   0.680 -18.152  1.00  1.00           C
-ATOM    310  CG  GLU    22     -13.054  -0.036 -18.521  1.00  1.00           C
-ATOM    311  CD  GLU    22     -13.044  -0.426 -20.000  1.00  1.00           C
-ATOM    312  OE1 GLU    22     -13.940  -1.206 -20.389  1.00  1.00           O
-ATOM    313  OE2 GLU    22     -12.140   0.067 -20.709  1.00  1.00           O
-ATOM    316  HB2 GLU    22     -15.154  -0.051 -18.023  1.00  1.00           H
-ATOM    317  HB3 GLU    22     -14.655   1.340 -18.966  1.00  1.00           H
-ATOM    318  HG2 GLU    22     -12.205   0.610 -18.305  1.00  1.00           H
-ATOM    319  HG3 GLU    22     -12.941  -0.929 -17.906  1.00  1.00           H
-ATOM    320  N   TYR    23     -15.279   0.347 -15.044  1.00  1.00           N
-ATOM    321  CA  TYR    23     -16.350   0.066 -14.104  1.00  1.00           C
-ATOM    322  C   TYR    23     -16.440   1.156 -13.034  1.00  1.00           C
-ATOM    323  O   TYR    23     -17.437   1.874 -12.959  1.00  1.00           O
-ATOM    332  H   TYR    23     -14.473  -0.236 -14.954  1.00  1.00           H
-ATOM    333  HA  TYR    23     -17.286   0.033 -14.660  1.00  1.00           H
-ATOM    324  CB  TYR    23     -15.983  -1.260 -13.433  1.00  1.00           C
-ATOM    325  CG  TYR    23     -17.060  -1.796 -12.488  1.00  1.00           C
-ATOM    326  CD1 TYR    23     -18.063  -2.610 -12.974  1.00  1.00           C
-ATOM    327  CD2 TYR    23     -17.028  -1.468 -11.148  1.00  1.00           C
-ATOM    328  CE1 TYR    23     -19.076  -3.116 -12.085  1.00  1.00           C
-ATOM    329  CE2 TYR    23     -18.042  -1.974 -10.258  1.00  1.00           C
-ATOM    330  CZ  TYR    23     -19.016  -2.773 -10.771  1.00  1.00           C
-ATOM    331  OH  TYR    23     -19.972  -3.251  -9.931  1.00  1.00           O
-ATOM    334  HB2 TYR    23     -15.788  -2.005 -14.205  1.00  1.00           H
-ATOM    335  HB3 TYR    23     -15.056  -1.129 -12.874  1.00  1.00           H
-ATOM    336  HD1 TYR    23     -18.088  -2.870 -14.033  1.00  1.00           H
-ATOM    337  HD2 TYR    23     -16.236  -0.827 -10.763  1.00  1.00           H
-ATOM    338  HE1 TYR    23     -19.873  -3.758 -12.457  1.00  1.00           H
-ATOM    339  HE2 TYR    23     -18.028  -1.722  -9.198  1.00  1.00           H
-ATOM    340  HH  TYR    23     -19.606  -4.010  -9.392  1.00  1.00           H
-ATOM    341  N   LEU    24     -15.388   1.246 -12.235  1.00  1.00           N
-ATOM    342  CA  LEU    24     -15.337   2.237 -11.173  1.00  1.00           C
-ATOM    343  C   LEU    24     -15.729   3.603 -11.738  1.00  1.00           C
-ATOM    344  O   LEU    24     -16.203   4.471 -11.005  1.00  1.00           O
-ATOM    349  H   LEU    24     -14.582   0.658 -12.304  1.00  1.00           H
-ATOM    350  HA  LEU    24     -16.073   1.950 -10.423  1.00  1.00           H
-ATOM    345  CB  LEU    24     -13.967   2.221 -10.492  1.00  1.00           C
-ATOM    346  CG  LEU    24     -12.776   2.612 -11.372  1.00  1.00           C
-ATOM    347  CD1 LEU    24     -12.455   4.100 -11.233  1.00  1.00           C
-ATOM    348  CD2 LEU    24     -11.562   1.732 -11.070  1.00  1.00           C
-ATOM    351  HB2 LEU    24     -14.001   2.900  -9.640  1.00  1.00           H
-ATOM    352  HB3 LEU    24     -13.790   1.222 -10.097  1.00  1.00           H
-ATOM    353  HG  LEU    24     -13.049   2.436 -12.414  1.00  1.00           H
-ATOM    354 HD11 LEU    24     -12.548   4.397 -10.188  1.00  1.00           H
-ATOM    355 HD12 LEU    24     -11.438   4.286 -11.574  1.00  1.00           H
-ATOM    356 HD13 LEU    24     -13.152   4.679 -11.838  1.00  1.00           H
-ATOM    357 HD21 LEU    24     -11.755   1.139 -10.176  1.00  1.00           H
-ATOM    358 HD22 LEU    24     -11.375   1.067 -11.914  1.00  1.00           H
-ATOM    359 HD23 LEU    24     -10.688   2.363 -10.905  1.00  1.00           H
-ATOM    360  N   LEU    25     -15.515   3.755 -13.038  1.00  1.00           N
-ATOM    361  CA  LEU    25     -15.840   5.002 -13.710  1.00  1.00           C
-ATOM    362  C   LEU    25     -17.265   5.419 -13.340  1.00  1.00           C
-ATOM    363  O   LEU    25     -18.208   4.652 -13.524  1.00  1.00           O
-ATOM    368  H   LEU    25     -15.130   3.045 -13.628  1.00  1.00           H
-ATOM    369  HA  LEU    25     -15.151   5.761 -13.340  1.00  1.00           H
-ATOM    364  CB  LEU    25     -15.608   4.875 -15.216  1.00  1.00           C
-ATOM    365  CG  LEU    25     -15.666   6.178 -16.016  1.00  1.00           C
-ATOM    366  CD1 LEU    25     -14.949   7.307 -15.276  1.00  1.00           C
-ATOM    367  CD2 LEU    25     -15.116   5.978 -17.430  1.00  1.00           C
-ATOM    370  HB2 LEU    25     -14.632   4.416 -15.377  1.00  1.00           H
-ATOM    371  HB3 LEU    25     -16.352   4.189 -15.623  1.00  1.00           H
-ATOM    372  HG  LEU    25     -16.711   6.471 -16.117  1.00  1.00           H
-ATOM    373 HD11 LEU    25     -13.919   7.013 -15.071  1.00  1.00           H
-ATOM    374 HD12 LEU    25     -14.955   8.207 -15.891  1.00  1.00           H
-ATOM    375 HD13 LEU    25     -15.463   7.509 -14.336  1.00  1.00           H
-ATOM    376 HD21 LEU    25     -15.108   4.916 -17.671  1.00  1.00           H
-ATOM    377 HD22 LEU    25     -15.747   6.508 -18.143  1.00  1.00           H
-ATOM    378 HD23 LEU    25     -14.100   6.370 -17.482  1.00  1.00           H
-ATOM    379  N   SER    26     -17.376   6.634 -12.824  1.00  1.00           N
-ATOM    380  CA  SER    26     -18.671   7.162 -12.428  1.00  1.00           C
-ATOM    381  C   SER    26     -19.771   6.572 -13.312  1.00  1.00           C
-ATOM    382  O   SER    26     -20.327   5.521 -12.999  1.00  1.00           O
-ATOM    385  H   SER    26     -16.606   7.252 -12.677  1.00  1.00           H
-ATOM    386  HA  SER    26     -18.805   6.852 -11.391  1.00  1.00           H
-ATOM    383  CB  SER    26     -18.689   8.691 -12.506  1.00  1.00           C
-ATOM    384  OG  SER    26     -18.083   9.290 -11.365  1.00  1.00           O
-ATOM    387  HB2 SER    26     -18.167   9.014 -13.406  1.00  1.00           H
-ATOM    388  HB3 SER    26     -19.719   9.037 -12.593  1.00  1.00           H
-ATOM    389  HG  SER    26     -17.341   9.898 -11.651  1.00  1.00           H
-ATOM    390  N   SER    27     -20.053   7.276 -14.398  1.00  1.00           N
-ATOM    391  CA  SER    27     -21.077   6.834 -15.331  1.00  1.00           C
-ATOM    392  C   SER    27     -21.084   7.737 -16.566  1.00  1.00           C
-ATOM    393  O   SER    27     -20.895   7.265 -17.686  1.00  1.00           O
-ATOM    396  H   SER    27     -19.597   8.131 -14.646  1.00  1.00           H
-ATOM    397  HA  SER    27     -20.800   5.816 -15.603  1.00  1.00           H
-ATOM    394  CB  SER    27     -22.456   6.828 -14.671  1.00  1.00           C
-ATOM    395  OG  SER    27     -22.713   8.034 -13.957  1.00  1.00           O
-ATOM    398  HB2 SER    27     -23.223   6.688 -15.434  1.00  1.00           H
-ATOM    399  HB3 SER    27     -22.528   5.980 -13.989  1.00  1.00           H
-ATOM    400  HG  SER    27     -23.640   8.020 -13.583  1.00  1.00           H
-ATOM    401  N   GLY    28     -21.304   9.021 -16.320  1.00  1.00           N
-ATOM    402  CA  GLY    28     -21.338   9.995 -17.399  1.00  1.00           C
-ATOM    403  C   GLY    28     -21.181  11.416 -16.859  1.00  1.00           C
-ATOM    404  O   GLY    28     -22.164  12.057 -16.491  1.00  1.00           O
-ATOM    405  H   GLY    28     -21.458   9.397 -15.407  1.00  1.00           H
-ATOM    406  HA2 GLY    28     -20.540   9.781 -18.112  1.00  1.00           H
-ATOM    407  HA3 GLY    28     -22.281   9.909 -17.941  1.00  1.00           H
-ATOM    408  N   ILE    29     -19.935  11.870 -16.829  1.00  1.00           N
-ATOM    409  CA  ILE    29     -19.636  13.205 -16.341  1.00  1.00           C
-ATOM    410  C   ILE    29     -19.178  14.080 -17.509  1.00  1.00           C
-ATOM    411  O   ILE    29     -19.014  13.594 -18.627  1.00  1.00           O
-ATOM    416  H   ILE    29     -19.141  11.342 -17.131  1.00  1.00           H
-ATOM    417  HA  ILE    29     -20.560  13.620 -15.938  1.00  1.00           H
-ATOM    412  CB  ILE    29     -18.630  13.141 -15.189  1.00  1.00           C
-ATOM    413  CG1 ILE    29     -18.307  11.690 -14.823  1.00  1.00           C
-ATOM    414  CG2 ILE    29     -19.128  13.938 -13.981  1.00  1.00           C
-ATOM    415  CD1 ILE    29     -17.604  11.611 -13.467  1.00  1.00           C
-ATOM    418  HB  ILE    29     -17.702  13.603 -15.520  1.00  1.00           H
-ATOM    419 HG12 ILE    29     -19.226  11.105 -14.796  1.00  1.00           H
-ATOM    420 HG13 ILE    29     -17.672  11.251 -15.593  1.00  1.00           H
-ATOM    421 HG21 ILE    29     -19.884  14.653 -14.305  1.00  1.00           H
-ATOM    422 HG22 ILE    29     -19.563  13.257 -13.250  1.00  1.00           H
-ATOM    423 HG23 ILE    29     -18.292  14.472 -13.529  1.00  1.00           H
-ATOM    424 HD11 ILE    29     -16.916  12.449 -13.364  1.00  1.00           H
-ATOM    425 HD12 ILE    29     -18.347  11.650 -12.670  1.00  1.00           H
-ATOM    426 HD13 ILE    29     -17.049  10.675 -13.400  1.00  1.00           H
-ATOM    427  N   ASN    30     -18.985  15.357 -17.210  1.00  1.00           N
-ATOM    428  CA  ASN    30     -18.549  16.304 -18.221  1.00  1.00           C
-ATOM    429  C   ASN    30     -17.063  16.082 -18.514  1.00  1.00           C
-ATOM    430  O   ASN    30     -16.474  16.797 -19.325  1.00  1.00           O
-ATOM    435  H   ASN    30     -19.121  15.744 -16.298  1.00  1.00           H
-ATOM    436  HA  ASN    30     -19.179  16.107 -19.088  1.00  1.00           H
-ATOM    431  CB  ASN    30     -18.725  17.745 -17.738  1.00  1.00           C
-ATOM    432  CG  ASN    30     -19.382  18.609 -18.817  1.00  1.00           C
-ATOM    433  OD1 ASN    30     -19.396  18.275 -19.991  1.00  1.00           O
-ATOM    434  ND2 ASN    30     -19.921  19.733 -18.356  1.00  1.00           N
-ATOM    437  HB2 ASN    30     -19.337  17.757 -16.836  1.00  1.00           H
-ATOM    438  HB3 ASN    30     -17.756  18.165 -17.472  1.00  1.00           H
-ATOM    439 HD21 ASN    30     -19.875  19.947 -17.380  1.00  1.00           H
-ATOM    440 HD22 ASN    30     -20.374  20.365 -18.986  1.00  1.00           H
-ATOM    441  N   GLY    31     -16.501  15.090 -17.841  1.00  1.00           N
-ATOM    442  CA  GLY    31     -15.096  14.765 -18.020  1.00  1.00           C
-ATOM    443  C   GLY    31     -14.439  14.421 -16.682  1.00  1.00           C
-ATOM    444  O   GLY    31     -14.360  15.264 -15.789  1.00  1.00           O
-ATOM    445  H   GLY    31     -16.988  14.515 -17.184  1.00  1.00           H
-ATOM    446  HA2 GLY    31     -14.998  13.925 -18.705  1.00  1.00           H
-ATOM    447  HA3 GLY    31     -14.579  15.610 -18.476  1.00  1.00           H
-ATOM    448  N   SER    32     -13.984  13.181 -16.584  1.00  1.00           N
-ATOM    449  CA  SER    32     -13.334  12.715 -15.371  1.00  1.00           C
-ATOM    450  C   SER    32     -12.212  11.735 -15.721  1.00  1.00           C
-ATOM    451  O   SER    32     -12.352  10.926 -16.637  1.00  1.00           O
-ATOM    454  H   SER    32     -14.052  12.501 -17.315  1.00  1.00           H
-ATOM    455  HA  SER    32     -12.929  13.609 -14.899  1.00  1.00           H
-ATOM    452  CB  SER    32     -14.342  12.053 -14.428  1.00  1.00           C
-ATOM    453  OG  SER    32     -14.840  10.826 -14.954  1.00  1.00           O
-ATOM    456  HB2 SER    32     -13.867  11.867 -13.463  1.00  1.00           H
-ATOM    457  HB3 SER    32     -15.173  12.735 -14.249  1.00  1.00           H
-ATOM    458  HG  SER    32     -14.318  10.058 -14.585  1.00  1.00           H
-ATOM    459  N   PHE    33     -11.124  11.840 -14.971  1.00  1.00           N
-ATOM    460  CA  PHE    33      -9.979  10.974 -15.190  1.00  1.00           C
-ATOM    461  C   PHE    33      -9.676  10.138 -13.944  1.00  1.00           C
-ATOM    462  O   PHE    33     -10.262  10.362 -12.886  1.00  1.00           O
-ATOM    470  H   PHE    33     -11.019  12.500 -14.228  1.00  1.00           H
-ATOM    471  HA  PHE    33     -10.229  10.310 -16.017  1.00  1.00           H
-ATOM    463  CB  PHE    33      -8.782  11.880 -15.485  1.00  1.00           C
-ATOM    464  CG  PHE    33      -9.040  12.914 -16.584  1.00  1.00           C
-ATOM    465  CD1 PHE    33     -10.216  13.595 -16.612  1.00  1.00           C
-ATOM    466  CD2 PHE    33      -8.093  13.150 -17.530  1.00  1.00           C
-ATOM    467  CE1 PHE    33     -10.455  14.555 -17.631  1.00  1.00           C
-ATOM    468  CE2 PHE    33      -8.333  14.109 -18.549  1.00  1.00           C
-ATOM    469  CZ  PHE    33      -9.508  14.792 -18.578  1.00  1.00           C
-ATOM    472  HB2 PHE    33      -8.500  12.401 -14.570  1.00  1.00           H
-ATOM    473  HB3 PHE    33      -7.934  11.261 -15.775  1.00  1.00           H
-ATOM    474  HD1 PHE    33     -10.975  13.407 -15.852  1.00  1.00           H
-ATOM    475  HD2 PHE    33      -7.150  12.603 -17.507  1.00  1.00           H
-ATOM    476  HE1 PHE    33     -11.399  15.102 -17.655  1.00  1.00           H
-ATOM    477  HE2 PHE    33      -7.573  14.299 -19.308  1.00  1.00           H
-ATOM    478  HZ  PHE    33      -9.692  15.528 -19.361  1.00  1.00           H
-ATOM    479  N   LEU    34      -8.762   9.194 -14.111  1.00  1.00           N
-ATOM    480  CA  LEU    34      -8.376   8.324 -13.014  1.00  1.00           C
-ATOM    481  C   LEU    34      -6.942   7.838 -13.235  1.00  1.00           C
-ATOM    482  O   LEU    34      -6.243   8.336 -14.115  1.00  1.00           O
-ATOM    487  H   LEU    34      -8.291   9.018 -14.975  1.00  1.00           H
-ATOM    488  HA  LEU    34      -8.401   8.920 -12.101  1.00  1.00           H
-ATOM    483  CB  LEU    34      -9.391   7.193 -12.842  1.00  1.00           C
-ATOM    484  CG  LEU    34      -9.779   6.443 -14.118  1.00  1.00           C
-ATOM    485  CD1 LEU    34      -9.663   4.930 -13.921  1.00  1.00           C
-ATOM    486  CD2 LEU    34     -11.175   6.853 -14.593  1.00  1.00           C
-ATOM    489  HB2 LEU    34      -8.987   6.473 -12.130  1.00  1.00           H
-ATOM    490  HB3 LEU    34     -10.296   7.607 -12.398  1.00  1.00           H
-ATOM    491  HG  LEU    34      -9.076   6.718 -14.904  1.00  1.00           H
-ATOM    492 HD11 LEU    34     -10.078   4.657 -12.951  1.00  1.00           H
-ATOM    493 HD12 LEU    34     -10.217   4.417 -14.707  1.00  1.00           H
-ATOM    494 HD13 LEU    34      -8.615   4.636 -13.964  1.00  1.00           H
-ATOM    495 HD21 LEU    34     -11.368   7.886 -14.301  1.00  1.00           H
-ATOM    496 HD22 LEU    34     -11.229   6.766 -15.677  1.00  1.00           H
-ATOM    497 HD23 LEU    34     -11.920   6.202 -14.137  1.00  1.00           H
-ATOM    498  N   VAL    35      -6.548   6.867 -12.423  1.00  1.00           N
-ATOM    499  CA  VAL    35      -5.211   6.307 -12.519  1.00  1.00           C
-ATOM    500  C   VAL    35      -5.287   4.787 -12.364  1.00  1.00           C
-ATOM    501  O   VAL    35      -5.848   4.287 -11.390  1.00  1.00           O
-ATOM    505  H   VAL    35      -7.124   6.466 -11.710  1.00  1.00           H
-ATOM    506  HA  VAL    35      -4.828   6.539 -13.513  1.00  1.00           H
-ATOM    502  CB  VAL    35      -4.292   6.967 -11.491  1.00  1.00           C
-ATOM    503  CG1 VAL    35      -3.439   5.923 -10.767  1.00  1.00           C
-ATOM    504  CG2 VAL    35      -3.411   8.033 -12.147  1.00  1.00           C
-ATOM    507  HB  VAL    35      -4.918   7.461 -10.749  1.00  1.00           H
-ATOM    508 HG11 VAL    35      -4.088   5.164 -10.329  1.00  1.00           H
-ATOM    509 HG12 VAL    35      -2.759   5.453 -11.478  1.00  1.00           H
-ATOM    510 HG13 VAL    35      -2.864   6.408  -9.978  1.00  1.00           H
-ATOM    511 HG21 VAL    35      -3.425   7.900 -13.228  1.00  1.00           H
-ATOM    512 HG22 VAL    35      -3.794   9.024 -11.898  1.00  1.00           H
-ATOM    513 HG23 VAL    35      -2.390   7.937 -11.782  1.00  1.00           H
-ATOM    514  N   ARG    36      -4.718   4.095 -13.339  1.00  1.00           N
-ATOM    515  CA  ARG    36      -4.714   2.642 -13.324  1.00  1.00           C
-ATOM    516  C   ARG    36      -3.282   2.114 -13.430  1.00  1.00           C
-ATOM    517  O   ARG    36      -2.352   2.877 -13.684  1.00  1.00           O
-ATOM    525  H   ARG    36      -4.264   4.509 -14.129  1.00  1.00           H
-ATOM    526  HA  ARG    36      -5.161   2.372 -12.365  1.00  1.00           H
-ATOM    518  CB  ARG    36      -5.548   2.076 -14.475  1.00  1.00           C
-ATOM    519  CG  ARG    36      -6.635   1.135 -13.954  1.00  1.00           C
-ATOM    520  CD  ARG    36      -7.831   1.923 -13.417  1.00  1.00           C
-ATOM    521  NE  ARG    36      -7.456   2.620 -12.167  1.00  1.00           N
-ATOM    522  CZ  ARG    36      -7.173   1.997 -11.014  1.00  1.00           C
-ATOM    523  NH1 ARG    36      -7.220   0.661 -10.946  1.00  1.00           N
-ATOM    524  NH2 ARG    36      -6.843   2.712  -9.930  1.00  1.00           N
-ATOM    527  HB2 ARG    36      -6.005   2.893 -15.033  1.00  1.00           H
-ATOM    528  HB3 ARG    36      -4.899   1.540 -15.168  1.00  1.00           H
-ATOM    529  HG2 ARG    36      -6.962   0.473 -14.755  1.00  1.00           H
-ATOM    530  HG3 ARG    36      -6.227   0.503 -13.165  1.00  1.00           H
-ATOM    531  HD2 ARG    36      -8.163   2.647 -14.161  1.00  1.00           H
-ATOM    532  HD3 ARG    36      -8.667   1.249 -13.230  1.00  1.00           H
-ATOM    533  HE  ARG    36      -7.412   3.619 -12.181  1.00  1.00           H
-ATOM    534 HH11 ARG    36      -7.467   0.127 -11.757  1.00  1.00           H
-ATOM    535 HH12 ARG    36      -7.009   0.196 -10.087  1.00  1.00           H
-ATOM    536 HH21 ARG    36      -6.807   3.710  -9.980  1.00  1.00           H
-ATOM    537 HH22 ARG    36      -6.632   2.247  -9.070  1.00  1.00           H
-ATOM    538  N   GLU    37      -3.150   0.810 -13.232  1.00  1.00           N
-ATOM    539  CA  GLU    37      -1.847   0.170 -13.302  1.00  1.00           C
-ATOM    540  C   GLU    37      -1.757  -0.713 -14.550  1.00  1.00           C
-ATOM    541  O   GLU    37      -2.677  -1.477 -14.840  1.00  1.00           O
-ATOM    547  H   GLU    37      -3.911   0.195 -13.026  1.00  1.00           H
-ATOM    548  HA  GLU    37      -1.128   0.986 -13.375  1.00  1.00           H
-ATOM    542  CB  GLU    37      -1.563  -0.639 -12.036  1.00  1.00           C
-ATOM    543  CG  GLU    37      -0.243  -0.208 -11.394  1.00  1.00           C
-ATOM    544  CD  GLU    37       0.423  -1.380 -10.670  1.00  1.00           C
-ATOM    545  OE1 GLU    37       0.111  -1.557  -9.473  1.00  1.00           O
-ATOM    546  OE2 GLU    37       1.229  -2.071 -11.330  1.00  1.00           O
-ATOM    549  HB2 GLU    37      -2.378  -0.504 -11.324  1.00  1.00           H
-ATOM    550  HB3 GLU    37      -1.524  -1.700 -12.279  1.00  1.00           H
-ATOM    551  HG2 GLU    37       0.427   0.179 -12.161  1.00  1.00           H
-ATOM    552  HG3 GLU    37      -0.425   0.604 -10.690  1.00  1.00           H
-ATOM    553  N   SER    38      -0.641  -0.580 -15.250  1.00  1.00           N
-ATOM    554  CA  SER    38      -0.420  -1.357 -16.458  1.00  1.00           C
-ATOM    555  C   SER    38      -0.530  -2.851 -16.147  1.00  1.00           C
-ATOM    556  O   SER    38      -0.864  -3.233 -15.026  1.00  1.00           O
-ATOM    559  H   SER    38       0.102   0.043 -15.007  1.00  1.00           H
-ATOM    560  HA  SER    38      -1.206  -1.050 -17.148  1.00  1.00           H
-ATOM    557  CB  SER    38       0.946  -1.043 -17.073  1.00  1.00           C
-ATOM    558  OG  SER    38       1.699  -2.223 -17.333  1.00  1.00           O
-ATOM    561  HB2 SER    38       0.807  -0.489 -18.002  1.00  1.00           H
-ATOM    562  HB3 SER    38       1.507  -0.396 -16.397  1.00  1.00           H
-ATOM    563  HG  SER    38       2.044  -2.209 -18.271  1.00  1.00           H
-ATOM    564  N   GLU    39      -0.244  -3.656 -17.160  1.00  1.00           N
-ATOM    565  CA  GLU    39      -0.305  -5.100 -17.009  1.00  1.00           C
-ATOM    566  C   GLU    39       0.979  -5.622 -16.361  1.00  1.00           C
-ATOM    567  O   GLU    39       1.390  -5.135 -15.309  1.00  1.00           O
-ATOM    573  H   GLU    39       0.027  -3.338 -18.068  1.00  1.00           H
-ATOM    574  HA  GLU    39      -1.154  -5.286 -16.349  1.00  1.00           H
-ATOM    568  CB  GLU    39      -0.559  -5.782 -18.354  1.00  1.00           C
-ATOM    569  CG  GLU    39      -1.788  -5.190 -19.047  1.00  1.00           C
-ATOM    570  CD  GLU    39      -1.986  -5.806 -20.433  1.00  1.00           C
-ATOM    571  OE1 GLU    39      -1.937  -7.052 -20.513  1.00  1.00           O
-ATOM    572  OE2 GLU    39      -2.183  -5.016 -21.382  1.00  1.00           O
-ATOM    575  HB2 GLU    39       0.315  -5.665 -18.995  1.00  1.00           H
-ATOM    576  HB3 GLU    39      -0.703  -6.852 -18.202  1.00  1.00           H
-ATOM    577  HG2 GLU    39      -2.675  -5.367 -18.436  1.00  1.00           H
-ATOM    578  HG3 GLU    39      -1.674  -4.110 -19.137  1.00  1.00           H
-ATOM    579  N   SER    40       1.575  -6.606 -17.018  1.00  1.00           N
-ATOM    580  CA  SER    40       2.804  -7.200 -16.520  1.00  1.00           C
-ATOM    581  C   SER    40       3.955  -6.199 -16.638  1.00  1.00           C
-ATOM    582  O   SER    40       4.733  -6.252 -17.588  1.00  1.00           O
-ATOM    585  H   SER    40       1.234  -6.997 -17.872  1.00  1.00           H
-ATOM    586  HA  SER    40       2.608  -7.436 -15.474  1.00  1.00           H
-ATOM    583  CB  SER    40       3.141  -8.487 -17.277  1.00  1.00           C
-ATOM    584  OG  SER    40       2.083  -9.437 -17.212  1.00  1.00           O
-ATOM    587  HB2 SER    40       3.351  -8.249 -18.320  1.00  1.00           H
-ATOM    588  HB3 SER    40       4.048  -8.925 -16.861  1.00  1.00           H
-ATOM    589  HG  SER    40       1.944  -9.731 -16.265  1.00  1.00           H
-ATOM    590  N   SER    41       4.026  -5.309 -15.658  1.00  1.00           N
-ATOM    591  CA  SER    41       5.068  -4.297 -15.640  1.00  1.00           C
-ATOM    592  C   SER    41       5.764  -4.287 -14.277  1.00  1.00           C
-ATOM    593  O   SER    41       5.161  -4.639 -13.266  1.00  1.00           O
-ATOM    596  H   SER    41       3.388  -5.275 -14.888  1.00  1.00           H
-ATOM    597  HA  SER    41       5.766  -4.587 -16.425  1.00  1.00           H
-ATOM    594  CB  SER    41       4.496  -2.912 -15.954  1.00  1.00           C
-ATOM    595  OG  SER    41       3.138  -2.790 -15.542  1.00  1.00           O
-ATOM    598  HB2 SER    41       5.096  -2.152 -15.455  1.00  1.00           H
-ATOM    599  HB3 SER    41       4.569  -2.724 -17.025  1.00  1.00           H
-ATOM    600  HG  SER    41       2.974  -3.351 -14.730  1.00  1.00           H
-ATOM    601  N   PRO    42       7.059  -3.869 -14.298  1.00  1.00           N
-ATOM    602  CA  PRO    42       7.844  -3.810 -13.076  1.00  1.00           C
-ATOM    603  C   PRO    42       7.434  -2.610 -12.218  1.00  1.00           C
-ATOM    604  O   PRO    42       8.030  -2.357 -11.173  1.00  1.00           O
-ATOM    608  HA  PRO    42       7.674  -4.618 -12.514  1.00  1.00           H
-ATOM    605  CB  PRO    42       9.289  -3.739 -13.541  1.00  1.00           C
-ATOM    606  CG  PRO    42       9.238  -3.295 -14.994  1.00  1.00           C
-ATOM    607  CD  PRO    42       7.805  -3.444 -15.478  1.00  1.00           C
-ATOM    609  HB2 PRO    42       9.861  -3.034 -12.937  1.00  1.00           H
-ATOM    610  HB3 PRO    42       9.777  -4.709 -13.446  1.00  1.00           H
-ATOM    611  HG2 PRO    42       9.569  -2.260 -15.088  1.00  1.00           H
-ATOM    612  HG3 PRO    42       9.912  -3.901 -15.602  1.00  1.00           H
-ATOM    613  HD2 PRO    42       7.421  -2.504 -15.872  1.00  1.00           H
-ATOM    614  HD3 PRO    42       7.732  -4.180 -16.278  1.00  1.00           H
-ATOM    615  N   GLY    43       6.417  -1.904 -12.693  1.00  1.00           N
-ATOM    616  CA  GLY    43       5.919  -0.738 -11.983  1.00  1.00           C
-ATOM    617  C   GLY    43       5.465   0.347 -12.961  1.00  1.00           C
-ATOM    618  O   GLY    43       5.958   1.472 -12.918  1.00  1.00           O
-ATOM    619  H   GLY    43       5.938  -2.117 -13.544  1.00  1.00           H
-ATOM    620  HA2 GLY    43       5.087  -1.028 -11.340  1.00  1.00           H
-ATOM    621  HA3 GLY    43       6.701  -0.344 -11.333  1.00  1.00           H
-ATOM    622  N   GLN    44       4.529  -0.030 -13.819  1.00  1.00           N
-ATOM    623  CA  GLN    44       4.001   0.896 -14.806  1.00  1.00           C
-ATOM    624  C   GLN    44       2.632   1.417 -14.367  1.00  1.00           C
-ATOM    625  O   GLN    44       1.883   0.712 -13.692  1.00  1.00           O
-ATOM    631  H   GLN    44       4.133  -0.948 -13.847  1.00  1.00           H
-ATOM    632  HA  GLN    44       4.715   1.719 -14.842  1.00  1.00           H
-ATOM    626  CB  GLN    44       3.923   0.241 -16.187  1.00  1.00           C
-ATOM    627  CG  GLN    44       5.200   0.494 -16.988  1.00  1.00           C
-ATOM    628  CD  GLN    44       6.429  -0.031 -16.242  1.00  1.00           C
-ATOM    629  OE1 GLN    44       6.347  -0.526 -15.130  1.00  1.00           O
-ATOM    630  NE2 GLN    44       7.569   0.105 -16.914  1.00  1.00           N
-ATOM    633  HB2 GLN    44       3.766  -0.832 -16.075  1.00  1.00           H
-ATOM    634  HB3 GLN    44       3.063   0.634 -16.731  1.00  1.00           H
-ATOM    635  HG2 GLN    44       5.126   0.009 -17.961  1.00  1.00           H
-ATOM    636  HG3 GLN    44       5.312   1.564 -17.172  1.00  1.00           H
-ATOM    637 HE21 GLN    44       7.567   0.521 -17.822  1.00  1.00           H
-ATOM    638 HE22 GLN    44       8.427  -0.208 -16.509  1.00  1.00           H
-ATOM    639  N   ARG    45       2.345   2.647 -14.768  1.00  1.00           N
-ATOM    640  CA  ARG    45       1.078   3.269 -14.423  1.00  1.00           C
-ATOM    641  C   ARG    45       0.413   3.846 -15.676  1.00  1.00           C
-ATOM    642  O   ARG    45       1.095   4.314 -16.586  1.00  1.00           O
-ATOM    650  H   ARG    45       2.959   3.214 -15.316  1.00  1.00           H
-ATOM    651  HA  ARG    45       0.479   2.466 -13.996  1.00  1.00           H
-ATOM    643  CB  ARG    45       1.275   4.389 -13.399  1.00  1.00           C
-ATOM    644  CG  ARG    45       0.022   5.260 -13.291  1.00  1.00           C
-ATOM    645  CD  ARG    45       0.081   6.428 -14.277  1.00  1.00           C
-ATOM    646  NE  ARG    45      -0.497   7.643 -13.658  1.00  1.00           N
-ATOM    647  CZ  ARG    45       0.213   8.732 -13.335  1.00  1.00           C
-ATOM    648  NH1 ARG    45       1.531   8.767 -13.571  1.00  1.00           N
-ATOM    649  NH2 ARG    45      -0.396   9.788 -12.778  1.00  1.00           N
-ATOM    652  HB2 ARG    45       1.507   3.958 -12.425  1.00  1.00           H
-ATOM    653  HB3 ARG    45       2.127   5.004 -13.686  1.00  1.00           H
-ATOM    654  HG2 ARG    45      -0.863   4.656 -13.489  1.00  1.00           H
-ATOM    655  HG3 ARG    45      -0.075   5.642 -12.274  1.00  1.00           H
-ATOM    656  HD2 ARG    45       1.113   6.616 -14.570  1.00  1.00           H
-ATOM    657  HD3 ARG    45      -0.467   6.178 -15.185  1.00  1.00           H
-ATOM    658  HE  ARG    45      -1.479   7.650 -13.467  1.00  1.00           H
-ATOM    659 HH11 ARG    45       1.986   7.979 -13.988  1.00  1.00           H
-ATOM    660 HH12 ARG    45       2.062   9.580 -13.330  1.00  1.00           H
-ATOM    661 HH21 ARG    45      -1.380   9.762 -12.601  1.00  1.00           H
-ATOM    662 HH22 ARG    45       0.134  10.601 -12.537  1.00  1.00           H
-ATOM    663  N   SER    46      -0.911   3.793 -15.681  1.00  1.00           N
-ATOM    664  CA  SER    46      -1.675   4.304 -16.806  1.00  1.00           C
-ATOM    665  C   SER    46      -2.683   5.350 -16.322  1.00  1.00           C
-ATOM    666  O   SER    46      -2.837   5.559 -15.119  1.00  1.00           O
-ATOM    669  H   SER    46      -1.459   3.411 -14.936  1.00  1.00           H
-ATOM    670  HA  SER    46      -0.942   4.758 -17.470  1.00  1.00           H
-ATOM    667  CB  SER    46      -2.397   3.173 -17.540  1.00  1.00           C
-ATOM    668  OG  SER    46      -1.879   2.971 -18.852  1.00  1.00           O
-ATOM    671  HB2 SER    46      -2.302   2.250 -16.968  1.00  1.00           H
-ATOM    672  HB3 SER    46      -3.462   3.400 -17.602  1.00  1.00           H
-ATOM    673  HG  SER    46      -2.142   2.069 -19.190  1.00  1.00           H
-ATOM    674  N   ILE    47      -3.342   5.978 -17.283  1.00  1.00           N
-ATOM    675  CA  ILE    47      -4.331   6.998 -16.971  1.00  1.00           C
-ATOM    676  C   ILE    47      -5.633   6.682 -17.709  1.00  1.00           C
-ATOM    677  O   ILE    47      -5.620   6.402 -18.906  1.00  1.00           O
-ATOM    682  H   ILE    47      -3.210   5.802 -18.259  1.00  1.00           H
-ATOM    683  HA  ILE    47      -4.521   6.950 -15.899  1.00  1.00           H
-ATOM    678  CB  ILE    47      -3.776   8.391 -17.271  1.00  1.00           C
-ATOM    679  CG1 ILE    47      -3.847   9.289 -16.034  1.00  1.00           C
-ATOM    680  CG2 ILE    47      -4.486   9.016 -18.473  1.00  1.00           C
-ATOM    681  CD1 ILE    47      -2.446   9.655 -15.541  1.00  1.00           C
-ATOM    684  HB  ILE    47      -2.724   8.291 -17.535  1.00  1.00           H
-ATOM    685 HG12 ILE    47      -4.403  10.195 -16.269  1.00  1.00           H
-ATOM    686 HG13 ILE    47      -4.392   8.776 -15.241  1.00  1.00           H
-ATOM    687 HG21 ILE    47      -5.531   8.704 -18.483  1.00  1.00           H
-ATOM    688 HG22 ILE    47      -4.433  10.103 -18.403  1.00  1.00           H
-ATOM    689 HG23 ILE    47      -4.002   8.688 -19.393  1.00  1.00           H
-ATOM    690 HD11 ILE    47      -1.897  10.153 -16.342  1.00  1.00           H
-ATOM    691 HD12 ILE    47      -2.526  10.326 -14.685  1.00  1.00           H
-ATOM    692 HD13 ILE    47      -1.915   8.750 -15.247  1.00  1.00           H
-ATOM    693  N   SER    48      -6.726   6.737 -16.962  1.00  1.00           N
-ATOM    694  CA  SER    48      -8.035   6.460 -17.530  1.00  1.00           C
-ATOM    695  C   SER    48      -8.885   7.733 -17.531  1.00  1.00           C
-ATOM    696  O   SER    48      -9.382   8.152 -16.487  1.00  1.00           O
-ATOM    699  H   SER    48      -6.728   6.965 -15.989  1.00  1.00           H
-ATOM    700  HA  SER    48      -7.842   6.127 -18.550  1.00  1.00           H
-ATOM    697  CB  SER    48      -8.747   5.347 -16.759  1.00  1.00           C
-ATOM    698  OG  SER    48      -8.876   4.158 -17.533  1.00  1.00           O
-ATOM    701  HB2 SER    48      -8.192   5.128 -15.845  1.00  1.00           H
-ATOM    702  HB3 SER    48      -9.735   5.692 -16.455  1.00  1.00           H
-ATOM    703  HG  SER    48      -9.775   4.130 -17.969  1.00  1.00           H
-ATOM    704  N   LEU    49      -9.025   8.312 -18.716  1.00  1.00           N
-ATOM    705  CA  LEU    49      -9.804   9.528 -18.866  1.00  1.00           C
-ATOM    706  C   LEU    49     -11.189   9.175 -19.414  1.00  1.00           C
-ATOM    707  O   LEU    49     -11.311   8.353 -20.320  1.00  1.00           O
-ATOM    712  H   LEU    49      -8.616   7.964 -19.559  1.00  1.00           H
-ATOM    713  HA  LEU    49      -9.927   9.963 -17.875  1.00  1.00           H
-ATOM    708  CB  LEU    49      -9.048  10.549 -19.718  1.00  1.00           C
-ATOM    709  CG  LEU    49      -7.580  10.227 -20.003  1.00  1.00           C
-ATOM    710  CD1 LEU    49      -7.370   9.884 -21.480  1.00  1.00           C
-ATOM    711  CD2 LEU    49      -6.669  11.368 -19.545  1.00  1.00           C
-ATOM    714  HB2 LEU    49      -9.568  10.654 -20.671  1.00  1.00           H
-ATOM    715  HB3 LEU    49      -9.098  11.517 -19.219  1.00  1.00           H
-ATOM    716  HG  LEU    49      -7.305   9.344 -19.426  1.00  1.00           H
-ATOM    717 HD11 LEU    49      -8.150  10.355 -22.076  1.00  1.00           H
-ATOM    718 HD12 LEU    49      -6.394  10.250 -21.801  1.00  1.00           H
-ATOM    719 HD13 LEU    49      -7.414   8.803 -21.611  1.00  1.00           H
-ATOM    720 HD21 LEU    49      -7.227  12.304 -19.553  1.00  1.00           H
-ATOM    721 HD22 LEU    49      -6.314  11.167 -18.535  1.00  1.00           H
-ATOM    722 HD23 LEU    49      -5.817  11.447 -20.220  1.00  1.00           H
-ATOM    723  N   ARG    50     -12.198   9.817 -18.841  1.00  1.00           N
-ATOM    724  CA  ARG    50     -13.568   9.581 -19.261  1.00  1.00           C
-ATOM    725  C   ARG    50     -14.099  10.785 -20.044  1.00  1.00           C
-ATOM    726  O   ARG    50     -13.912  11.928 -19.631  1.00  1.00           O
-ATOM    734  H   ARG    50     -12.089  10.484 -18.105  1.00  1.00           H
-ATOM    735  HA  ARG    50     -13.519   8.693 -19.892  1.00  1.00           H
-ATOM    727  CB  ARG    50     -14.477   9.325 -18.057  1.00  1.00           C
-ATOM    728  CG  ARG    50     -15.904   9.806 -18.333  1.00  1.00           C
-ATOM    729  CD  ARG    50     -16.928   8.749 -17.916  1.00  1.00           C
-ATOM    730  NE  ARG    50     -17.264   7.886 -19.069  1.00  1.00           N
-ATOM    731  CZ  ARG    50     -18.034   6.792 -18.991  1.00  1.00           C
-ATOM    732  NH1 ARG    50     -18.554   6.422 -17.813  1.00  1.00           N
-ATOM    733  NH2 ARG    50     -18.285   6.068 -20.091  1.00  1.00           N
-ATOM    736  HB2 ARG    50     -14.487   8.260 -17.824  1.00  1.00           H
-ATOM    737  HB3 ARG    50     -14.080   9.839 -17.181  1.00  1.00           H
-ATOM    738  HG2 ARG    50     -16.090  10.732 -17.792  1.00  1.00           H
-ATOM    739  HG3 ARG    50     -16.016  10.028 -19.394  1.00  1.00           H
-ATOM    740  HD2 ARG    50     -16.528   8.145 -17.102  1.00  1.00           H
-ATOM    741  HD3 ARG    50     -17.830   9.233 -17.540  1.00  1.00           H
-ATOM    742  HE  ARG    50     -16.892   8.134 -19.965  1.00  1.00           H
-ATOM    743 HH11 ARG    50     -18.366   6.962 -16.992  1.00  1.00           H
-ATOM    744 HH12 ARG    50     -19.128   5.606 -17.754  1.00  1.00           H
-ATOM    745 HH21 ARG    50     -17.898   6.345 -20.970  1.00  1.00           H
-ATOM    746 HH22 ARG    50     -18.860   5.253 -20.032  1.00  1.00           H
-ATOM    747  N   TYR    51     -14.747  10.485 -21.158  1.00  1.00           N
-ATOM    748  CA  TYR    51     -15.305  11.528 -22.004  1.00  1.00           C
-ATOM    749  C   TYR    51     -16.834  11.470 -22.008  1.00  1.00           C
-ATOM    750  O   TYR    51     -17.440  10.913 -21.094  1.00  1.00           O
-ATOM    759  H   TYR    51     -14.894   9.552 -21.488  1.00  1.00           H
-ATOM    760  HA  TYR    51     -14.986  12.490 -21.604  1.00  1.00           H
-ATOM    751  CB  TYR    51     -14.791  11.245 -23.417  1.00  1.00           C
-ATOM    752  CG  TYR    51     -13.689  12.199 -23.881  1.00  1.00           C
-ATOM    753  CD1 TYR    51     -12.438  12.139 -23.302  1.00  1.00           C
-ATOM    754  CD2 TYR    51     -13.947  13.118 -24.879  1.00  1.00           C
-ATOM    755  CE1 TYR    51     -11.400  13.038 -23.739  1.00  1.00           C
-ATOM    756  CE2 TYR    51     -12.908  14.015 -25.314  1.00  1.00           C
-ATOM    757  CZ  TYR    51     -11.686  13.931 -24.724  1.00  1.00           C
-ATOM    758  OH  TYR    51     -10.706  14.779 -25.136  1.00  1.00           O
-ATOM    761  HB2 TYR    51     -14.416  10.222 -23.459  1.00  1.00           H
-ATOM    762  HB3 TYR    51     -15.628  11.306 -24.115  1.00  1.00           H
-ATOM    763  HD1 TYR    51     -12.235  11.413 -22.515  1.00  1.00           H
-ATOM    764  HD2 TYR    51     -14.935  13.164 -25.335  1.00  1.00           H
-ATOM    765  HE1 TYR    51     -10.407  13.002 -23.291  1.00  1.00           H
-ATOM    766  HE2 TYR    51     -13.098  14.746 -26.101  1.00  1.00           H
-ATOM    767  HH  TYR    51     -10.802  15.662 -24.677  1.00  1.00           H
-ATOM    768  N   GLU    52     -17.413  12.054 -23.047  1.00  1.00           N
-ATOM    769  CA  GLU    52     -18.860  12.077 -23.182  1.00  1.00           C
-ATOM    770  C   GLU    52     -19.389  10.666 -23.453  1.00  1.00           C
-ATOM    771  O   GLU    52     -20.154  10.457 -24.393  1.00  1.00           O
-ATOM    777  H   GLU    52     -16.912  12.505 -23.786  1.00  1.00           H
-ATOM    778  HA  GLU    52     -19.235  12.435 -22.224  1.00  1.00           H
-ATOM    772  CB  GLU    52     -19.293  13.046 -24.283  1.00  1.00           C
-ATOM    773  CG  GLU    52     -19.157  14.497 -23.820  1.00  1.00           C
-ATOM    774  CD  GLU    52     -18.606  15.382 -24.939  1.00  1.00           C
-ATOM    775  OE1 GLU    52     -19.109  15.239 -26.075  1.00  1.00           O
-ATOM    776  OE2 GLU    52     -17.696  16.182 -24.635  1.00  1.00           O
-ATOM    779  HB2 GLU    52     -18.683  12.887 -25.172  1.00  1.00           H
-ATOM    780  HB3 GLU    52     -20.326  12.844 -24.565  1.00  1.00           H
-ATOM    781  HG2 GLU    52     -20.131  14.873 -23.501  1.00  1.00           H
-ATOM    782  HG3 GLU    52     -18.498  14.547 -22.954  1.00  1.00           H
-ATOM    783  N   GLY    53     -18.962   9.737 -22.612  1.00  1.00           N
-ATOM    784  CA  GLY    53     -19.384   8.353 -22.749  1.00  1.00           C
-ATOM    785  C   GLY    53     -18.275   7.501 -23.369  1.00  1.00           C
-ATOM    786  O   GLY    53     -18.549   6.603 -24.164  1.00  1.00           O
-ATOM    787  H   GLY    53     -18.341   9.916 -21.849  1.00  1.00           H
-ATOM    788  HA2 GLY    53     -19.651   7.952 -21.771  1.00  1.00           H
-ATOM    789  HA3 GLY    53     -20.278   8.301 -23.371  1.00  1.00           H
-ATOM    790  N   ARG    54     -17.047   7.812 -22.982  1.00  1.00           N
-ATOM    791  CA  ARG    54     -15.896   7.086 -23.491  1.00  1.00           C
-ATOM    792  C   ARG    54     -14.763   7.098 -22.461  1.00  1.00           C
-ATOM    793  O   ARG    54     -14.559   8.094 -21.769  1.00  1.00           O
-ATOM    801  H   ARG    54     -16.833   8.544 -22.336  1.00  1.00           H
-ATOM    802  HA  ARG    54     -16.258   6.074 -23.662  1.00  1.00           H
-ATOM    794  CB  ARG    54     -15.392   7.699 -24.799  1.00  1.00           C
-ATOM    795  CG  ARG    54     -15.369   6.656 -25.920  1.00  1.00           C
-ATOM    796  CD  ARG    54     -16.758   6.490 -26.540  1.00  1.00           C
-ATOM    797  NE  ARG    54     -16.641   5.877 -27.883  1.00  1.00           N
-ATOM    798  CZ  ARG    54     -16.465   6.573 -29.014  1.00  1.00           C
-ATOM    799  NH1 ARG    54     -16.382   7.910 -28.971  1.00  1.00           N
-ATOM    800  NH2 ARG    54     -16.370   5.933 -30.187  1.00  1.00           N
-ATOM    803  HB2 ARG    54     -16.033   8.533 -25.085  1.00  1.00           H
-ATOM    804  HB3 ARG    54     -14.390   8.103 -24.654  1.00  1.00           H
-ATOM    805  HG2 ARG    54     -14.657   6.959 -26.688  1.00  1.00           H
-ATOM    806  HG3 ARG    54     -15.027   5.700 -25.525  1.00  1.00           H
-ATOM    807  HD2 ARG    54     -17.379   5.865 -25.899  1.00  1.00           H
-ATOM    808  HD3 ARG    54     -17.250   7.460 -26.616  1.00  1.00           H
-ATOM    809  HE  ARG    54     -16.698   4.881 -27.950  1.00  1.00           H
-ATOM    810 HH11 ARG    54     -16.453   8.388 -28.097  1.00  1.00           H
-ATOM    811 HH12 ARG    54     -16.250   8.430 -29.816  1.00  1.00           H
-ATOM    812 HH21 ARG    54     -16.431   4.935 -30.219  1.00  1.00           H
-ATOM    813 HH22 ARG    54     -16.238   6.452 -31.031  1.00  1.00           H
-ATOM    814  N   VAL    55     -14.058   5.979 -22.392  1.00  1.00           N
-ATOM    815  CA  VAL    55     -12.952   5.847 -21.458  1.00  1.00           C
-ATOM    816  C   VAL    55     -11.659   5.603 -22.238  1.00  1.00           C
-ATOM    817  O   VAL    55     -11.567   4.652 -23.015  1.00  1.00           O
-ATOM    821  H   VAL    55     -14.231   5.173 -22.958  1.00  1.00           H
-ATOM    822  HA  VAL    55     -12.864   6.791 -20.920  1.00  1.00           H
-ATOM    818  CB  VAL    55     -13.255   4.746 -20.440  1.00  1.00           C
-ATOM    819  CG1 VAL    55     -13.252   3.368 -21.106  1.00  1.00           C
-ATOM    820  CG2 VAL    55     -12.267   4.793 -19.272  1.00  1.00           C
-ATOM    823  HB  VAL    55     -14.254   4.924 -20.042  1.00  1.00           H
-ATOM    824 HG11 VAL    55     -12.280   3.190 -21.569  1.00  1.00           H
-ATOM    825 HG12 VAL    55     -13.444   2.601 -20.355  1.00  1.00           H
-ATOM    826 HG13 VAL    55     -14.030   3.333 -21.869  1.00  1.00           H
-ATOM    827 HG21 VAL    55     -12.014   5.830 -19.052  1.00  1.00           H
-ATOM    828 HG22 VAL    55     -12.721   4.334 -18.394  1.00  1.00           H
-ATOM    829 HG23 VAL    55     -11.362   4.248 -19.540  1.00  1.00           H
-ATOM    830  N   TYR    56     -10.691   6.475 -22.004  1.00  1.00           N
-ATOM    831  CA  TYR    56      -9.406   6.366 -22.675  1.00  1.00           C
-ATOM    832  C   TYR    56      -8.316   5.918 -21.700  1.00  1.00           C
-ATOM    833  O   TYR    56      -8.111   6.542 -20.661  1.00  1.00           O
-ATOM    842  H   TYR    56     -10.772   7.246 -21.372  1.00  1.00           H
-ATOM    843  HA  TYR    56      -9.503   5.625 -23.467  1.00  1.00           H
-ATOM    834  CB  TYR    56      -9.073   7.771 -23.182  1.00  1.00           C
-ATOM    835  CG  TYR    56      -9.910   8.213 -24.385  1.00  1.00           C
-ATOM    836  CD1 TYR    56     -11.164   8.757 -24.190  1.00  1.00           C
-ATOM    837  CD2 TYR    56      -9.412   8.067 -25.663  1.00  1.00           C
-ATOM    838  CE1 TYR    56     -11.952   9.172 -25.321  1.00  1.00           C
-ATOM    839  CE2 TYR    56     -10.200   8.484 -26.794  1.00  1.00           C
-ATOM    840  CZ  TYR    56     -11.430   9.016 -26.568  1.00  1.00           C
-ATOM    841  OH  TYR    56     -12.175   9.408 -27.636  1.00  1.00           O
-ATOM    844  HB2 TYR    56      -9.218   8.483 -22.371  1.00  1.00           H
-ATOM    845  HB3 TYR    56      -8.019   7.808 -23.453  1.00  1.00           H
-ATOM    846  HD1 TYR    56     -11.558   8.872 -23.180  1.00  1.00           H
-ATOM    847  HD2 TYR    56      -8.421   7.639 -25.816  1.00  1.00           H
-ATOM    848  HE1 TYR    56     -12.944   9.603 -25.182  1.00  1.00           H
-ATOM    849  HE2 TYR    56      -9.818   8.375 -27.810  1.00  1.00           H
-ATOM    850  HH  TYR    56     -12.163   8.699 -28.341  1.00  1.00           H
-ATOM    851  N   HIS    57      -7.644   4.837 -22.072  1.00  1.00           N
-ATOM    852  CA  HIS    57      -6.578   4.297 -21.243  1.00  1.00           C
-ATOM    853  C   HIS    57      -5.237   4.461 -21.960  1.00  1.00           C
-ATOM    854  O   HIS    57      -4.935   3.723 -22.897  1.00  1.00           O
-ATOM    861  H   HIS    57      -7.816   4.335 -22.919  1.00  1.00           H
-ATOM    862  HA  HIS    57      -6.566   4.888 -20.327  1.00  1.00           H
-ATOM    855  CB  HIS    57      -6.871   2.846 -20.859  1.00  1.00           C
-ATOM    856  CG  HIS    57      -8.318   2.582 -20.514  1.00  1.00           C
-ATOM    857  ND1 HIS    57      -8.729   2.197 -19.251  1.00  1.00           N
-ATOM    858  CD2 HIS    57      -9.444   2.652 -21.282  1.00  1.00           C
-ATOM    859  CE1 HIS    57     -10.046   2.044 -19.268  1.00  1.00           C
-ATOM    860  NE2 HIS    57     -10.486   2.326 -20.527  1.00  1.00           N
-ATOM    863  HB2 HIS    57      -6.580   2.196 -21.685  1.00  1.00           H
-ATOM    864  HB3 HIS    57      -6.250   2.573 -20.006  1.00  1.00           H
-ATOM    865  HD1 HIS    57      -8.136   2.057 -18.460  1.00  1.00           H
-ATOM    866  HD2 HIS    57      -9.481   2.930 -22.336  1.00  1.00           H
-ATOM    867  HE1 HIS    57     -10.667   1.745 -18.424  1.00  1.00           H
-ATOM    868  N   TYR    58      -4.467   5.434 -21.493  1.00  1.00           N
-ATOM    869  CA  TYR    58      -3.165   5.705 -22.078  1.00  1.00           C
-ATOM    870  C   TYR    58      -2.060   5.605 -21.025  1.00  1.00           C
-ATOM    871  O   TYR    58      -2.019   6.397 -20.086  1.00  1.00           O
-ATOM    880  H   TYR    58      -4.720   6.029 -20.731  1.00  1.00           H
-ATOM    881  HA  TYR    58      -2.985   4.962 -22.855  1.00  1.00           H
-ATOM    872  CB  TYR    58      -3.227   7.141 -22.600  1.00  1.00           C
-ATOM    873  CG  TYR    58      -3.018   7.264 -24.111  1.00  1.00           C
-ATOM    874  CD1 TYR    58      -4.026   6.894 -24.979  1.00  1.00           C
-ATOM    875  CD2 TYR    58      -1.823   7.745 -24.605  1.00  1.00           C
-ATOM    876  CE1 TYR    58      -3.828   7.010 -26.401  1.00  1.00           C
-ATOM    877  CE2 TYR    58      -1.627   7.862 -26.026  1.00  1.00           C
-ATOM    878  CZ  TYR    58      -2.639   7.488 -26.854  1.00  1.00           C
-ATOM    879  OH  TYR    58      -2.453   7.597 -28.197  1.00  1.00           O
-ATOM    882  HB2 TYR    58      -4.196   7.569 -22.341  1.00  1.00           H
-ATOM    883  HB3 TYR    58      -2.470   7.735 -22.088  1.00  1.00           H
-ATOM    884  HD1 TYR    58      -4.970   6.514 -24.587  1.00  1.00           H
-ATOM    885  HD2 TYR    58      -1.029   8.037 -23.919  1.00  1.00           H
-ATOM    886  HE1 TYR    58      -4.615   6.722 -27.097  1.00  1.00           H
-ATOM    887  HE2 TYR    58      -0.687   8.240 -26.431  1.00  1.00           H
-ATOM    888  HH  TYR    58      -2.622   6.717 -28.638  1.00  1.00           H
-ATOM    889  N   ARG    59      -1.190   4.623 -21.217  1.00  1.00           N
-ATOM    890  CA  ARG    59      -0.089   4.408 -20.296  1.00  1.00           C
-ATOM    891  C   ARG    59       1.007   5.451 -20.528  1.00  1.00           C
-ATOM    892  O   ARG    59       1.291   5.815 -21.667  1.00  1.00           O
-ATOM    900  H   ARG    59      -1.231   3.981 -21.983  1.00  1.00           H
-ATOM    901  HA  ARG    59      -0.529   4.514 -19.304  1.00  1.00           H
-ATOM    893  CB  ARG    59       0.506   3.007 -20.464  1.00  1.00           C
-ATOM    894  CG  ARG    59       0.688   2.664 -21.943  1.00  1.00           C
-ATOM    895  CD  ARG    59       2.073   2.067 -22.201  1.00  1.00           C
-ATOM    896  NE  ARG    59       1.962   0.905 -23.111  1.00  1.00           N
-ATOM    897  CZ  ARG    59       1.322  -0.232 -22.803  1.00  1.00           C
-ATOM    898  NH1 ARG    59       0.733  -0.367 -21.609  1.00  1.00           N
-ATOM    899  NH2 ARG    59       1.272  -1.234 -23.692  1.00  1.00           N
-ATOM    902  HB2 ARG    59       1.468   2.954 -19.952  1.00  1.00           H
-ATOM    903  HB3 ARG    59      -0.147   2.273 -19.994  1.00  1.00           H
-ATOM    904  HG2 ARG    59      -0.081   1.956 -22.253  1.00  1.00           H
-ATOM    905  HG3 ARG    59       0.558   3.561 -22.547  1.00  1.00           H
-ATOM    906  HD2 ARG    59       2.728   2.819 -22.638  1.00  1.00           H
-ATOM    907  HD3 ARG    59       2.526   1.758 -21.258  1.00  1.00           H
-ATOM    908  HE  ARG    59       2.392   0.972 -24.012  1.00  1.00           H
-ATOM    909 HH11 ARG    59       0.769   0.380 -20.945  1.00  1.00           H
-ATOM    910 HH12 ARG    59       0.255  -1.216 -21.379  1.00  1.00           H
-ATOM    911 HH21 ARG    59       1.712  -1.133 -24.584  1.00  1.00           H
-ATOM    912 HH22 ARG    59       0.795  -2.082 -23.464  1.00  1.00           H
-ATOM    913  N   ILE    60       1.594   5.900 -19.428  1.00  1.00           N
-ATOM    914  CA  ILE    60       2.652   6.894 -19.497  1.00  1.00           C
-ATOM    915  C   ILE    60       3.991   6.191 -19.728  1.00  1.00           C
-ATOM    916  O   ILE    60       4.116   4.991 -19.487  1.00  1.00           O
-ATOM    921  H   ILE    60       1.357   5.598 -18.504  1.00  1.00           H
-ATOM    922  HA  ILE    60       2.445   7.533 -20.355  1.00  1.00           H
-ATOM    917  CB  ILE    60       2.632   7.785 -18.254  1.00  1.00           C
-ATOM    918  CG1 ILE    60       1.252   8.414 -18.051  1.00  1.00           C
-ATOM    919  CG2 ILE    60       3.739   8.839 -18.318  1.00  1.00           C
-ATOM    920  CD1 ILE    60       0.708   8.105 -16.655  1.00  1.00           C
-ATOM    923  HB  ILE    60       2.833   7.161 -17.382  1.00  1.00           H
-ATOM    924 HG12 ILE    60       1.316   9.492 -18.191  1.00  1.00           H
-ATOM    925 HG13 ILE    60       0.563   8.035 -18.805  1.00  1.00           H
-ATOM    926 HG21 ILE    60       3.779   9.264 -19.321  1.00  1.00           H
-ATOM    927 HG22 ILE    60       3.529   9.630 -17.597  1.00  1.00           H
-ATOM    928 HG23 ILE    60       4.697   8.377 -18.080  1.00  1.00           H
-ATOM    929 HD11 ILE    60       0.778   7.034 -16.466  1.00  1.00           H
-ATOM    930 HD12 ILE    60       1.294   8.644 -15.910  1.00  1.00           H
-ATOM    931 HD13 ILE    60      -0.335   8.418 -16.594  1.00  1.00           H
-ATOM    932  N   ASN    61       4.958   6.968 -20.194  1.00  1.00           N
-ATOM    933  CA  ASN    61       6.283   6.434 -20.461  1.00  1.00           C
-ATOM    934  C   ASN    61       7.180   6.678 -19.245  1.00  1.00           C
-ATOM    935  O   ASN    61       6.825   7.444 -18.351  1.00  1.00           O
-ATOM    940  H   ASN    61       4.848   7.942 -20.388  1.00  1.00           H
-ATOM    941  HA  ASN    61       6.131   5.374 -20.660  1.00  1.00           H
-ATOM    936  CB  ASN    61       6.923   7.126 -21.666  1.00  1.00           C
-ATOM    937  CG  ASN    61       5.866   7.501 -22.707  1.00  1.00           C
-ATOM    938  OD1 ASN    61       5.131   6.669 -23.211  1.00  1.00           O
-ATOM    939  ND2 ASN    61       5.833   8.798 -23.000  1.00  1.00           N
-ATOM    942  HB2 ASN    61       7.449   8.022 -21.339  1.00  1.00           H
-ATOM    943  HB3 ASN    61       7.665   6.467 -22.116  1.00  1.00           H
-ATOM    944 HD21 ASN    61       6.464   9.429 -22.551  1.00  1.00           H
-ATOM    945 HD22 ASN    61       5.174   9.143 -23.671  1.00  1.00           H
-ATOM    946  N   THR    62       8.326   6.011 -19.253  1.00  1.00           N
-ATOM    947  CA  THR    62       9.275   6.146 -18.161  1.00  1.00           C
-ATOM    948  C   THR    62      10.540   6.862 -18.641  1.00  1.00           C
-ATOM    949  O   THR    62      10.980   6.662 -19.772  1.00  1.00           O
-ATOM    953  H   THR    62       8.606   5.390 -19.984  1.00  1.00           H
-ATOM    954  HA  THR    62       8.827   6.771 -17.390  1.00  1.00           H
-ATOM    950  CB  THR    62       9.546   4.750 -17.595  1.00  1.00           C
-ATOM    951  OG1 THR    62       8.250   4.172 -17.464  1.00  1.00           O
-ATOM    952  CG2 THR    62      10.083   4.793 -16.163  1.00  1.00           C
-ATOM    955  HB  THR    62      10.217   4.189 -18.247  1.00  1.00           H
-ATOM    956  HG1 THR    62       7.712   4.347 -18.288  1.00  1.00           H
-ATOM    957 HG21 THR    62      10.789   5.617 -16.064  1.00  1.00           H
-ATOM    958 HG22 THR    62       9.254   4.938 -15.469  1.00  1.00           H
-ATOM    959 HG23 THR    62      10.587   3.854 -15.936  1.00  1.00           H
-ATOM    960  N   ALA    63      11.088   7.682 -17.757  1.00  1.00           N
-ATOM    961  CA  ALA    63      12.292   8.429 -18.075  1.00  1.00           C
-ATOM    962  C   ALA    63      13.470   7.461 -18.202  1.00  1.00           C
-ATOM    963  O   ALA    63      13.411   6.502 -18.970  1.00  1.00           O
-ATOM    965  H   ALA    63      10.724   7.838 -16.838  1.00  1.00           H
-ATOM    966  HA  ALA    63      12.134   8.921 -19.034  1.00  1.00           H
-ATOM    964  CB  ALA    63      12.529   9.497 -17.004  1.00  1.00           C
-ATOM    967  HB1 ALA    63      11.605  10.047 -16.830  1.00  1.00           H
-ATOM    968  HB2 ALA    63      12.849   9.019 -16.079  1.00  1.00           H
-ATOM    969  HB3 ALA    63      13.303  10.186 -17.344  1.00  1.00           H
-ATOM    970  N   SER    64      14.514   7.744 -17.435  1.00  1.00           N
-ATOM    971  CA  SER    64      15.703   6.909 -17.452  1.00  1.00           C
-ATOM    972  C   SER    64      15.331   5.461 -17.131  1.00  1.00           C
-ATOM    973  O   SER    64      15.387   4.594 -18.003  1.00  1.00           O
-ATOM    976  H   SER    64      14.555   8.526 -16.813  1.00  1.00           H
-ATOM    977  HA  SER    64      16.096   6.988 -18.466  1.00  1.00           H
-ATOM    974  CB  SER    64      16.749   7.421 -16.459  1.00  1.00           C
-ATOM    975  OG  SER    64      17.769   6.456 -16.213  1.00  1.00           O
-ATOM    978  HB2 SER    64      17.201   8.334 -16.847  1.00  1.00           H
-ATOM    979  HB3 SER    64      16.261   7.681 -15.520  1.00  1.00           H
-ATOM    980  HG  SER    64      17.387   5.675 -15.719  1.00  1.00           H
-ATOM    981  N   ASP    65      14.959   5.242 -15.879  1.00  1.00           N
-ATOM    982  CA  ASP    65      14.578   3.913 -15.432  1.00  1.00           C
-ATOM    983  C   ASP    65      13.766   4.027 -14.140  1.00  1.00           C
-ATOM    984  O   ASP    65      14.122   3.431 -13.124  1.00  1.00           O
-ATOM    989  H   ASP    65      14.917   5.953 -15.176  1.00  1.00           H
-ATOM    990  HA  ASP    65      13.999   3.491 -16.253  1.00  1.00           H
-ATOM    985  CB  ASP    65      15.812   3.055 -15.142  1.00  1.00           C
-ATOM    986  CG  ASP    65      15.582   1.544 -15.233  1.00  1.00           C
-ATOM    987  OD1 ASP    65      15.190   0.967 -14.196  1.00  1.00           O
-ATOM    988  OD2 ASP    65      15.808   1.002 -16.336  1.00  1.00           O
-ATOM    991  HB2 ASP    65      16.600   3.331 -15.842  1.00  1.00           H
-ATOM    992  HB3 ASP    65      16.173   3.293 -14.142  1.00  1.00           H
-ATOM    993  N   GLY    66      12.692   4.798 -14.220  1.00  1.00           N
-ATOM    994  CA  GLY    66      11.827   4.998 -13.070  1.00  1.00           C
-ATOM    995  C   GLY    66      10.893   6.191 -13.287  1.00  1.00           C
-ATOM    996  O   GLY    66       9.682   6.019 -13.417  1.00  1.00           O
-ATOM    997  H   GLY    66      12.410   5.280 -15.049  1.00  1.00           H
-ATOM    998  HA2 GLY    66      11.238   4.098 -12.891  1.00  1.00           H
-ATOM    999  HA3 GLY    66      12.432   5.164 -12.179  1.00  1.00           H
-ATOM   1000  N   LYS    67      11.492   7.372 -13.319  1.00  1.00           N
-ATOM   1001  CA  LYS    67      10.729   8.592 -13.518  1.00  1.00           C
-ATOM   1002  C   LYS    67       9.674   8.359 -14.600  1.00  1.00           C
-ATOM   1003  O   LYS    67       9.848   7.504 -15.468  1.00  1.00           O
-ATOM   1009  H   LYS    67      12.478   7.503 -13.213  1.00  1.00           H
-ATOM   1010  HA  LYS    67      10.220   8.815 -12.581  1.00  1.00           H
-ATOM   1004  CB  LYS    67      11.664   9.767 -13.814  1.00  1.00           C
-ATOM   1005  CG  LYS    67      13.090   9.464 -13.346  1.00  1.00           C
-ATOM   1006  CD  LYS    67      13.948  10.730 -13.350  1.00  1.00           C
-ATOM   1007  CE  LYS    67      15.150  10.580 -12.415  1.00  1.00           C
-ATOM   1008  NZ  LYS    67      15.314  11.793 -11.583  1.00  1.00           N
-ATOM   1011  HB2 LYS    67      11.664   9.976 -14.884  1.00  1.00           H
-ATOM   1012  HB3 LYS    67      11.297  10.664 -13.315  1.00  1.00           H
-ATOM   1013  HG2 LYS    67      13.065   9.040 -12.343  1.00  1.00           H
-ATOM   1014  HG3 LYS    67      13.538   8.715 -14.000  1.00  1.00           H
-ATOM   1015  HD2 LYS    67      14.294  10.938 -14.363  1.00  1.00           H
-ATOM   1016  HD3 LYS    67      13.344  11.583 -13.038  1.00  1.00           H
-ATOM   1017  HE2 LYS    67      15.014   9.708 -11.775  1.00  1.00           H
-ATOM   1018  HE3 LYS    67      16.053  10.408 -12.999  1.00  1.00           H
-ATOM   1019  HZ1 LYS    67      15.127  12.605 -12.135  1.00  1.00           H
-ATOM   1020  HZ2 LYS    67      14.674  11.759 -10.814  1.00  1.00           H
-ATOM   1021  HZ3 LYS    67      16.250  11.833 -11.234  1.00  1.00           H
-ATOM   1022  N   LEU    68       8.602   9.133 -14.515  1.00  1.00           N
-ATOM   1023  CA  LEU    68       7.519   9.021 -15.476  1.00  1.00           C
-ATOM   1024  C   LEU    68       7.384  10.338 -16.242  1.00  1.00           C
-ATOM   1025  O   LEU    68       7.062  11.371 -15.655  1.00  1.00           O
-ATOM   1030  H   LEU    68       8.468   9.826 -13.806  1.00  1.00           H
-ATOM   1031  HA  LEU    68       7.790   8.237 -16.184  1.00  1.00           H
-ATOM   1026  CB  LEU    68       6.230   8.578 -14.782  1.00  1.00           C
-ATOM   1027  CG  LEU    68       6.373   7.454 -13.754  1.00  1.00           C
-ATOM   1028  CD1 LEU    68       5.430   7.670 -12.569  1.00  1.00           C
-ATOM   1029  CD2 LEU    68       6.171   6.085 -14.406  1.00  1.00           C
-ATOM   1032  HB2 LEU    68       5.792   9.444 -14.285  1.00  1.00           H
-ATOM   1033  HB3 LEU    68       5.521   8.256 -15.545  1.00  1.00           H
-ATOM   1034  HG  LEU    68       7.392   7.476 -13.363  1.00  1.00           H
-ATOM   1035 HD11 LEU    68       4.491   8.096 -12.926  1.00  1.00           H
-ATOM   1036 HD12 LEU    68       5.233   6.714 -12.084  1.00  1.00           H
-ATOM   1037 HD13 LEU    68       5.892   8.352 -11.857  1.00  1.00           H
-ATOM   1038 HD21 LEU    68       6.657   6.072 -15.382  1.00  1.00           H
-ATOM   1039 HD22 LEU    68       6.607   5.313 -13.772  1.00  1.00           H
-ATOM   1040 HD23 LEU    68       5.105   5.895 -14.529  1.00  1.00           H
-ATOM   1041  N   TYR    69       7.636  10.260 -17.541  1.00  1.00           N
-ATOM   1042  CA  TYR    69       7.545  11.434 -18.392  1.00  1.00           C
-ATOM   1043  C   TYR    69       6.701  11.147 -19.635  1.00  1.00           C
-ATOM   1044  O   TYR    69       6.986  10.208 -20.379  1.00  1.00           O
-ATOM   1053  H   TYR    69       7.895   9.417 -18.010  1.00  1.00           H
-ATOM   1054  HA  TYR    69       7.072  12.231 -17.819  1.00  1.00           H
-ATOM   1045  CB  TYR    69       8.978  11.752 -18.824  1.00  1.00           C
-ATOM   1046  CG  TYR    69       9.416  11.033 -20.102  1.00  1.00           C
-ATOM   1047  CD1 TYR    69       9.555   9.661 -20.108  1.00  1.00           C
-ATOM   1048  CD2 TYR    69       9.673  11.759 -21.248  1.00  1.00           C
-ATOM   1049  CE1 TYR    69       9.969   8.984 -21.311  1.00  1.00           C
-ATOM   1050  CE2 TYR    69      10.084  11.082 -22.451  1.00  1.00           C
-ATOM   1051  CZ  TYR    69      10.212   9.728 -22.423  1.00  1.00           C
-ATOM   1052  OH  TYR    69      10.602   9.090 -23.558  1.00  1.00           O
-ATOM   1055  HB2 TYR    69       9.071  12.827 -18.974  1.00  1.00           H
-ATOM   1056  HB3 TYR    69       9.659  11.482 -18.017  1.00  1.00           H
-ATOM   1057  HD1 TYR    69       9.353   9.088 -19.203  1.00  1.00           H
-ATOM   1058  HD2 TYR    69       9.563  12.843 -21.243  1.00  1.00           H
-ATOM   1059  HE1 TYR    69      10.081   7.900 -21.330  1.00  1.00           H
-ATOM   1060  HE2 TYR    69      10.291  11.642 -23.363  1.00  1.00           H
-ATOM   1061  HH  TYR    69      11.241   8.354 -23.336  1.00  1.00           H
-ATOM   1062  N   VAL    70       5.681  11.970 -19.824  1.00  1.00           N
-ATOM   1063  CA  VAL    70       4.795  11.816 -20.964  1.00  1.00           C
-ATOM   1064  C   VAL    70       5.431  12.473 -22.192  1.00  1.00           C
-ATOM   1065  O   VAL    70       5.315  11.960 -23.305  1.00  1.00           O
-ATOM   1069  H   VAL    70       5.457  12.731 -19.215  1.00  1.00           H
-ATOM   1070  HA  VAL    70       4.687  10.748 -21.154  1.00  1.00           H
-ATOM   1066  CB  VAL    70       3.412  12.381 -20.633  1.00  1.00           C
-ATOM   1067  CG1 VAL    70       2.341  11.779 -21.545  1.00  1.00           C
-ATOM   1068  CG2 VAL    70       3.068  12.158 -19.160  1.00  1.00           C
-ATOM   1071  HB  VAL    70       3.438  13.456 -20.812  1.00  1.00           H
-ATOM   1072 HG11 VAL    70       2.806  11.420 -22.463  1.00  1.00           H
-ATOM   1073 HG12 VAL    70       1.856  10.947 -21.034  1.00  1.00           H
-ATOM   1074 HG13 VAL    70       1.600  12.540 -21.786  1.00  1.00           H
-ATOM   1075 HG21 VAL    70       3.335  11.140 -18.873  1.00  1.00           H
-ATOM   1076 HG22 VAL    70       3.623  12.867 -18.545  1.00  1.00           H
-ATOM   1077 HG23 VAL    70       1.998  12.308 -19.010  1.00  1.00           H
-ATOM   1078  N   SER    71       6.089  13.596 -21.947  1.00  1.00           N
-ATOM   1079  CA  SER    71       6.744  14.328 -23.019  1.00  1.00           C
-ATOM   1080  C   SER    71       8.257  14.121 -22.946  1.00  1.00           C
-ATOM   1081  O   SER    71       8.762  13.062 -23.312  1.00  1.00           O
-ATOM   1084  H   SER    71       6.179  14.006 -21.040  1.00  1.00           H
-ATOM   1085  HA  SER    71       6.345  13.906 -23.942  1.00  1.00           H
-ATOM   1082  CB  SER    71       6.408  15.819 -22.952  1.00  1.00           C
-ATOM   1083  OG  SER    71       7.039  16.556 -23.997  1.00  1.00           O
-ATOM   1086  HB2 SER    71       5.327  15.951 -23.019  1.00  1.00           H
-ATOM   1087  HB3 SER    71       6.719  16.219 -21.988  1.00  1.00           H
-ATOM   1088  HG  SER    71       7.159  15.973 -24.802  1.00  1.00           H
-ATOM   1089  N   SER    72       8.940  15.151 -22.468  1.00  1.00           N
-ATOM   1090  CA  SER    72      10.388  15.096 -22.341  1.00  1.00           C
-ATOM   1091  C   SER    72      10.833  15.864 -21.095  1.00  1.00           C
-ATOM   1092  O   SER    72      11.507  15.309 -20.228  1.00  1.00           O
-ATOM   1095  H   SER    72       8.523  16.010 -22.172  1.00  1.00           H
-ATOM   1096  HA  SER    72      10.628  14.038 -22.245  1.00  1.00           H
-ATOM   1093  CB  SER    72      11.071  15.662 -23.586  1.00  1.00           C
-ATOM   1094  OG  SER    72      10.820  17.056 -23.747  1.00  1.00           O
-ATOM   1097  HB2 SER    72      12.146  15.493 -23.519  1.00  1.00           H
-ATOM   1098  HB3 SER    72      10.720  15.127 -24.468  1.00  1.00           H
-ATOM   1099  HG  SER    72      11.649  17.518 -24.062  1.00  1.00           H
-ATOM   1100  N   GLU    73      10.439  17.128 -21.046  1.00  1.00           N
-ATOM   1101  CA  GLU    73      10.789  17.978 -19.920  1.00  1.00           C
-ATOM   1102  C   GLU    73       9.670  17.966 -18.878  1.00  1.00           C
-ATOM   1103  O   GLU    73       9.675  18.770 -17.947  1.00  1.00           O
-ATOM   1109  H   GLU    73       9.890  17.572 -21.756  1.00  1.00           H
-ATOM   1110  HA  GLU    73      11.694  17.541 -19.499  1.00  1.00           H
-ATOM   1104  CB  GLU    73      11.091  19.405 -20.384  1.00  1.00           C
-ATOM   1105  CG  GLU    73      10.762  19.581 -21.868  1.00  1.00           C
-ATOM   1106  CD  GLU    73      11.217  20.951 -22.372  1.00  1.00           C
-ATOM   1107  OE1 GLU    73      12.348  21.342 -22.010  1.00  1.00           O
-ATOM   1108  OE2 GLU    73      10.424  21.577 -23.109  1.00  1.00           O
-ATOM   1111  HB2 GLU    73      10.511  20.113 -19.792  1.00  1.00           H
-ATOM   1112  HB3 GLU    73      12.143  19.631 -20.213  1.00  1.00           H
-ATOM   1113  HG2 GLU    73      11.249  18.796 -22.448  1.00  1.00           H
-ATOM   1114  HG3 GLU    73       9.688  19.471 -22.022  1.00  1.00           H
-ATOM   1115  N   SER    74       8.737  17.044 -19.067  1.00  1.00           N
-ATOM   1116  CA  SER    74       7.614  16.916 -18.154  1.00  1.00           C
-ATOM   1117  C   SER    74       7.670  15.563 -17.443  1.00  1.00           C
-ATOM   1118  O   SER    74       6.667  14.854 -17.371  1.00  1.00           O
-ATOM   1121  H   SER    74       8.741  16.394 -19.826  1.00  1.00           H
-ATOM   1122  HA  SER    74       7.730  17.731 -17.439  1.00  1.00           H
-ATOM   1119  CB  SER    74       6.283  17.074 -18.893  1.00  1.00           C
-ATOM   1120  OG  SER    74       6.148  16.133 -19.955  1.00  1.00           O
-ATOM   1123  HB2 SER    74       5.461  16.947 -18.189  1.00  1.00           H
-ATOM   1124  HB3 SER    74       6.208  18.085 -19.293  1.00  1.00           H
-ATOM   1125  HG  SER    74       6.085  15.207 -19.584  1.00  1.00           H
-ATOM   1126  N   ARG    75       8.852  15.246 -16.935  1.00  1.00           N
-ATOM   1127  CA  ARG    75       9.051  13.991 -16.231  1.00  1.00           C
-ATOM   1128  C   ARG    75       8.672  14.143 -14.756  1.00  1.00           C
-ATOM   1129  O   ARG    75       8.850  15.211 -14.172  1.00  1.00           O
-ATOM   1137  H   ARG    75       9.661  15.829 -16.997  1.00  1.00           H
-ATOM   1138  HA  ARG    75       8.393  13.282 -16.733  1.00  1.00           H
-ATOM   1130  CB  ARG    75      10.506  13.528 -16.330  1.00  1.00           C
-ATOM   1131  CG  ARG    75      11.059  13.760 -17.738  1.00  1.00           C
-ATOM   1132  CD  ARG    75      12.517  14.221 -17.685  1.00  1.00           C
-ATOM   1133  NE  ARG    75      13.420  13.050 -17.719  1.00  1.00           N
-ATOM   1134  CZ  ARG    75      14.412  12.840 -16.843  1.00  1.00           C
-ATOM   1135  NH1 ARG    75      14.634  13.721 -15.860  1.00  1.00           N
-ATOM   1136  NH2 ARG    75      15.182  11.749 -16.952  1.00  1.00           N
-ATOM   1139  HB2 ARG    75      11.113  14.067 -15.603  1.00  1.00           H
-ATOM   1140  HB3 ARG    75      10.571  12.469 -16.080  1.00  1.00           H
-ATOM   1141  HG2 ARG    75      10.987  12.840 -18.318  1.00  1.00           H
-ATOM   1142  HG3 ARG    75      10.455  14.509 -18.251  1.00  1.00           H
-ATOM   1143  HD2 ARG    75      12.729  14.880 -18.526  1.00  1.00           H
-ATOM   1144  HD3 ARG    75      12.691  14.798 -16.777  1.00  1.00           H
-ATOM   1145  HE  ARG    75      13.281  12.371 -18.442  1.00  1.00           H
-ATOM   1146 HH11 ARG    75      14.060  14.536 -15.778  1.00  1.00           H
-ATOM   1147 HH12 ARG    75      15.375  13.565 -15.206  1.00  1.00           H
-ATOM   1148 HH21 ARG    75      15.015  11.091 -17.687  1.00  1.00           H
-ATOM   1149 HH22 ARG    75      15.922  11.591 -16.299  1.00  1.00           H
-ATOM   1150  N   PHE    76       8.156  13.059 -14.196  1.00  1.00           N
-ATOM   1151  CA  PHE    76       7.751  13.058 -12.800  1.00  1.00           C
-ATOM   1152  C   PHE    76       8.058  11.713 -12.139  1.00  1.00           C
-ATOM   1153  O   PHE    76       7.763  10.660 -12.702  1.00  1.00           O
-ATOM   1161  H   PHE    76       8.013  12.194 -14.677  1.00  1.00           H
-ATOM   1162  HA  PHE    76       8.314  13.845 -12.298  1.00  1.00           H
-ATOM   1154  CB  PHE    76       6.238  13.291 -12.774  1.00  1.00           C
-ATOM   1155  CG  PHE    76       5.777  14.476 -13.624  1.00  1.00           C
-ATOM   1156  CD1 PHE    76       5.821  15.737 -13.116  1.00  1.00           C
-ATOM   1157  CD2 PHE    76       5.321  14.269 -14.890  1.00  1.00           C
-ATOM   1158  CE1 PHE    76       5.392  16.837 -13.906  1.00  1.00           C
-ATOM   1159  CE2 PHE    76       4.892  15.368 -15.679  1.00  1.00           C
-ATOM   1160  CZ  PHE    76       4.936  16.629 -15.171  1.00  1.00           C
-ATOM   1163  HB2 PHE    76       5.735  12.389 -13.122  1.00  1.00           H
-ATOM   1164  HB3 PHE    76       5.923  13.453 -11.743  1.00  1.00           H
-ATOM   1165  HD1 PHE    76       6.186  15.903 -12.103  1.00  1.00           H
-ATOM   1166  HD2 PHE    76       5.285  13.259 -15.297  1.00  1.00           H
-ATOM   1167  HE1 PHE    76       5.428  17.847 -13.499  1.00  1.00           H
-ATOM   1168  HE2 PHE    76       4.528  15.202 -16.692  1.00  1.00           H
-ATOM   1169  HZ  PHE    76       4.607  17.473 -15.776  1.00  1.00           H
-ATOM   1170  N   ASN    77       8.648  11.792 -10.956  1.00  1.00           N
-ATOM   1171  CA  ASN    77       9.000  10.594 -10.213  1.00  1.00           C
-ATOM   1172  C   ASN    77       7.773  10.096  -9.447  1.00  1.00           C
-ATOM   1173  O   ASN    77       7.782   8.991  -8.906  1.00  1.00           O
-ATOM   1178  H   ASN    77       8.885  12.653 -10.506  1.00  1.00           H
-ATOM   1179  HA  ASN    77       9.340   9.881 -10.965  1.00  1.00           H
-ATOM   1174  CB  ASN    77      10.107  10.880  -9.198  1.00  1.00           C
-ATOM   1175  CG  ASN    77      11.247  11.676  -9.838  1.00  1.00           C
-ATOM   1176  OD1 ASN    77      11.064  12.407 -10.797  1.00  1.00           O
-ATOM   1177  ND2 ASN    77      12.428  11.493  -9.256  1.00  1.00           N
-ATOM   1180  HB2 ASN    77       9.698  11.439  -8.356  1.00  1.00           H
-ATOM   1181  HB3 ASN    77      10.493   9.942  -8.800  1.00  1.00           H
-ATOM   1182 HD21 ASN    77      12.509  10.878  -8.471  1.00  1.00           H
-ATOM   1183 HD22 ASN    77      13.237  11.970  -9.603  1.00  1.00           H
-ATOM   1184  N   THR    78       6.747  10.933  -9.426  1.00  1.00           N
-ATOM   1185  CA  THR    78       5.515  10.593  -8.735  1.00  1.00           C
-ATOM   1186  C   THR    78       4.317  10.751  -9.673  1.00  1.00           C
-ATOM   1187  O   THR    78       4.365  11.532 -10.621  1.00  1.00           O
-ATOM   1191  H   THR    78       6.748  11.831  -9.870  1.00  1.00           H
-ATOM   1192  HA  THR    78       5.562   9.542  -8.451  1.00  1.00           H
-ATOM   1188  CB  THR    78       5.423  11.460  -7.479  1.00  1.00           C
-ATOM   1189  OG1 THR    78       5.588  10.536  -6.407  1.00  1.00           O
-ATOM   1190  CG2 THR    78       4.020  12.032  -7.264  1.00  1.00           C
-ATOM   1193  HB  THR    78       6.169  12.254  -7.498  1.00  1.00           H
-ATOM   1194  HG1 THR    78       5.432  10.995  -5.532  1.00  1.00           H
-ATOM   1195 HG21 THR    78       3.510  12.113  -8.225  1.00  1.00           H
-ATOM   1196 HG22 THR    78       3.455  11.372  -6.606  1.00  1.00           H
-ATOM   1197 HG23 THR    78       4.095  13.019  -6.809  1.00  1.00           H
-ATOM   1198  N   LEU    79       3.269   9.996  -9.375  1.00  1.00           N
-ATOM   1199  CA  LEU    79       2.061  10.043 -10.179  1.00  1.00           C
-ATOM   1200  C   LEU    79       1.457  11.446 -10.104  1.00  1.00           C
-ATOM   1201  O   LEU    79       1.299  12.114 -11.125  1.00  1.00           O
-ATOM   1206  H   LEU    79       3.239   9.362  -8.602  1.00  1.00           H
-ATOM   1207  HA  LEU    79       2.347   9.845 -11.212  1.00  1.00           H
-ATOM   1202  CB  LEU    79       1.093   8.934  -9.759  1.00  1.00           C
-ATOM   1203  CG  LEU    79       1.297   7.575 -10.430  1.00  1.00           C
-ATOM   1204  CD1 LEU    79       2.610   6.932  -9.979  1.00  1.00           C
-ATOM   1205  CD2 LEU    79       0.097   6.658 -10.187  1.00  1.00           C
-ATOM   1208  HB2 LEU    79       1.174   8.800  -8.679  1.00  1.00           H
-ATOM   1209  HB3 LEU    79       0.077   9.269  -9.962  1.00  1.00           H
-ATOM   1210  HG  LEU    79       1.368   7.733 -11.505  1.00  1.00           H
-ATOM   1211 HD11 LEU    79       3.049   7.524  -9.175  1.00  1.00           H
-ATOM   1212 HD12 LEU    79       2.415   5.921  -9.620  1.00  1.00           H
-ATOM   1213 HD13 LEU    79       3.302   6.892 -10.819  1.00  1.00           H
-ATOM   1214 HD21 LEU    79      -0.273   6.804  -9.172  1.00  1.00           H
-ATOM   1215 HD22 LEU    79      -0.692   6.897 -10.899  1.00  1.00           H
-ATOM   1216 HD23 LEU    79       0.402   5.619 -10.317  1.00  1.00           H
-ATOM   1217  N   ALA    80       1.135  11.854  -8.884  1.00  1.00           N
-ATOM   1218  CA  ALA    80       0.552  13.167  -8.663  1.00  1.00           C
-ATOM   1219  C   ALA    80       1.319  14.204  -9.485  1.00  1.00           C
-ATOM   1220  O   ALA    80       0.772  14.790 -10.420  1.00  1.00           O
-ATOM   1222  H   ALA    80       1.266  11.304  -8.059  1.00  1.00           H
-ATOM   1223  HA  ALA    80      -0.481  13.134  -9.007  1.00  1.00           H
-ATOM   1221  CB  ALA    80       0.564  13.484  -7.166  1.00  1.00           C
-ATOM   1224  HB1 ALA    80       1.500  13.138  -6.728  1.00  1.00           H
-ATOM   1225  HB2 ALA    80       0.471  14.560  -7.022  1.00  1.00           H
-ATOM   1226  HB3 ALA    80      -0.272  12.979  -6.682  1.00  1.00           H
-ATOM   1227  N   GLU    81       2.573  14.403  -9.108  1.00  1.00           N
-ATOM   1228  CA  GLU    81       3.420  15.362  -9.799  1.00  1.00           C
-ATOM   1229  C   GLU    81       3.159  15.311 -11.306  1.00  1.00           C
-ATOM   1230  O   GLU    81       3.279  16.322 -11.993  1.00  1.00           O
-ATOM   1236  H   GLU    81       3.011  13.923  -8.347  1.00  1.00           H
-ATOM   1237  HA  GLU    81       3.134  16.336  -9.406  1.00  1.00           H
-ATOM   1231  CB  GLU    81       4.897  15.110  -9.489  1.00  1.00           C
-ATOM   1232  CG  GLU    81       5.446  16.172  -8.534  1.00  1.00           C
-ATOM   1233  CD  GLU    81       5.044  15.870  -7.088  1.00  1.00           C
-ATOM   1234  OE1 GLU    81       3.934  15.324  -6.911  1.00  1.00           O
-ATOM   1235  OE2 GLU    81       5.857  16.190  -6.195  1.00  1.00           O
-ATOM   1238  HB2 GLU    81       5.017  14.121  -9.046  1.00  1.00           H
-ATOM   1239  HB3 GLU    81       5.473  15.116 -10.415  1.00  1.00           H
-ATOM   1240  HG2 GLU    81       6.532  16.211  -8.613  1.00  1.00           H
-ATOM   1241  HG3 GLU    81       5.070  17.154  -8.822  1.00  1.00           H
-ATOM   1242  N   LEU    82       2.807  14.122 -11.774  1.00  1.00           N
-ATOM   1243  CA  LEU    82       2.527  13.926 -13.186  1.00  1.00           C
-ATOM   1244  C   LEU    82       1.215  14.624 -13.543  1.00  1.00           C
-ATOM   1245  O   LEU    82       1.211  15.615 -14.271  1.00  1.00           O
-ATOM   1250  H   LEU    82       2.712  13.304 -11.206  1.00  1.00           H
-ATOM   1251  HA  LEU    82       3.335  14.400 -13.747  1.00  1.00           H
-ATOM   1246  CB  LEU    82       2.549  12.437 -13.535  1.00  1.00           C
-ATOM   1247  CG  LEU    82       2.778  12.097 -15.008  1.00  1.00           C
-ATOM   1248  CD1 LEU    82       3.900  11.068 -15.167  1.00  1.00           C
-ATOM   1249  CD2 LEU    82       1.480  11.633 -15.672  1.00  1.00           C
-ATOM   1252  HB2 LEU    82       3.331  11.956 -12.947  1.00  1.00           H
-ATOM   1253  HB3 LEU    82       1.601  11.998 -13.224  1.00  1.00           H
-ATOM   1254  HG  LEU    82       3.097  13.003 -15.524  1.00  1.00           H
-ATOM   1255 HD11 LEU    82       4.760  11.376 -14.571  1.00  1.00           H
-ATOM   1256 HD12 LEU    82       3.551  10.094 -14.826  1.00  1.00           H
-ATOM   1257 HD13 LEU    82       4.189  11.006 -16.216  1.00  1.00           H
-ATOM   1258 HD21 LEU    82       0.954  10.950 -15.005  1.00  1.00           H
-ATOM   1259 HD22 LEU    82       0.847  12.497 -15.877  1.00  1.00           H
-ATOM   1260 HD23 LEU    82       1.710  11.123 -16.607  1.00  1.00           H
-ATOM   1261  N   VAL    83       0.128  14.079 -13.013  1.00  1.00           N
-ATOM   1262  CA  VAL    83      -1.189  14.635 -13.267  1.00  1.00           C
-ATOM   1263  C   VAL    83      -1.205  16.106 -12.847  1.00  1.00           C
-ATOM   1264  O   VAL    83      -1.843  16.934 -13.495  1.00  1.00           O
-ATOM   1268  H   VAL    83       0.140  13.272 -12.422  1.00  1.00           H
-ATOM   1269  HA  VAL    83      -1.369  14.575 -14.340  1.00  1.00           H
-ATOM   1265  CB  VAL    83      -2.256  13.799 -12.558  1.00  1.00           C
-ATOM   1266  CG1 VAL    83      -3.201  14.689 -11.749  1.00  1.00           C
-ATOM   1267  CG2 VAL    83      -3.033  12.940 -13.559  1.00  1.00           C
-ATOM   1270  HB  VAL    83      -1.750  13.129 -11.864  1.00  1.00           H
-ATOM   1271 HG11 VAL    83      -3.611  15.466 -12.394  1.00  1.00           H
-ATOM   1272 HG12 VAL    83      -4.015  14.084 -11.348  1.00  1.00           H
-ATOM   1273 HG13 VAL    83      -2.652  15.149 -10.927  1.00  1.00           H
-ATOM   1274 HG21 VAL    83      -3.442  13.576 -14.344  1.00  1.00           H
-ATOM   1275 HG22 VAL    83      -2.363  12.202 -14.001  1.00  1.00           H
-ATOM   1276 HG23 VAL    83      -3.847  12.431 -13.044  1.00  1.00           H
-ATOM   1277  N   HIS    84      -0.496  16.387 -11.763  1.00  1.00           N
-ATOM   1278  CA  HIS    84      -0.422  17.744 -11.248  1.00  1.00           C
-ATOM   1279  C   HIS    84      -0.110  18.711 -12.393  1.00  1.00           C
-ATOM   1280  O   HIS    84      -0.828  19.688 -12.598  1.00  1.00           O
-ATOM   1287  H   HIS    84       0.019  15.707 -11.241  1.00  1.00           H
-ATOM   1288  HA  HIS    84      -1.406  17.978 -10.843  1.00  1.00           H
-ATOM   1281  CB  HIS    84       0.588  17.835 -10.103  1.00  1.00           C
-ATOM   1282  CG  HIS    84      -0.031  18.148  -8.762  1.00  1.00           C
-ATOM   1283  ND1 HIS    84      -1.351  17.862  -8.461  1.00  1.00           N
-ATOM   1284  CD2 HIS    84       0.503  18.722  -7.645  1.00  1.00           C
-ATOM   1285  CE1 HIS    84      -1.591  18.253  -7.217  1.00  1.00           C
-ATOM   1286  NE2 HIS    84      -0.440  18.786  -6.714  1.00  1.00           N
-ATOM   1289  HB2 HIS    84       1.128  16.891 -10.032  1.00  1.00           H
-ATOM   1290  HB3 HIS    84       1.323  18.604 -10.341  1.00  1.00           H
-ATOM   1291  HD1 HIS    84      -2.013  17.435  -9.076  1.00  1.00           H
-ATOM   1292  HD2 HIS    84       1.531  19.071  -7.538  1.00  1.00           H
-ATOM   1293  HE1 HIS    84      -2.540  18.163  -6.688  1.00  1.00           H
-ATOM   1294  N   HIS    85       0.961  18.403 -13.110  1.00  1.00           N
-ATOM   1295  CA  HIS    85       1.377  19.231 -14.228  1.00  1.00           C
-ATOM   1296  C   HIS    85       0.412  19.034 -15.399  1.00  1.00           C
-ATOM   1297  O   HIS    85       0.046  19.995 -16.075  1.00  1.00           O
-ATOM   1304  H   HIS    85       1.539  17.606 -12.936  1.00  1.00           H
-ATOM   1305  HA  HIS    85       1.316  20.266 -13.889  1.00  1.00           H
-ATOM   1298  CB  HIS    85       2.832  18.948 -14.603  1.00  1.00           C
-ATOM   1299  CG  HIS    85       3.239  19.502 -15.947  1.00  1.00           C
-ATOM   1300  ND1 HIS    85       3.447  20.852 -16.170  1.00  1.00           N
-ATOM   1301  CD2 HIS    85       3.475  18.876 -17.135  1.00  1.00           C
-ATOM   1302  CE1 HIS    85       3.791  21.019 -17.438  1.00  1.00           C
-ATOM   1303  NE2 HIS    85       3.806  19.793 -18.035  1.00  1.00           N
-ATOM   1306  HB2 HIS    85       3.484  19.367 -13.836  1.00  1.00           H
-ATOM   1307  HB3 HIS    85       2.992  17.870 -14.603  1.00  1.00           H
-ATOM   1308  HD1 HIS    85       3.353  21.579 -15.489  1.00  1.00           H
-ATOM   1309  HD2 HIS    85       3.402  17.804 -17.316  1.00  1.00           H
-ATOM   1310  HE1 HIS    85       4.022  21.970 -17.920  1.00  1.00           H
-ATOM   1311  N   HIS    86       0.028  17.784 -15.603  1.00  1.00           N
-ATOM   1312  CA  HIS    86      -0.887  17.448 -16.681  1.00  1.00           C
-ATOM   1313  C   HIS    86      -2.313  17.832 -16.282  1.00  1.00           C
-ATOM   1314  O   HIS    86      -3.271  17.474 -16.966  1.00  1.00           O
-ATOM   1321  H   HIS    86       0.330  17.007 -15.049  1.00  1.00           H
-ATOM   1322  HA  HIS    86      -0.586  18.043 -17.543  1.00  1.00           H
-ATOM   1315  CB  HIS    86      -0.755  15.972 -17.066  1.00  1.00           C
-ATOM   1316  CG  HIS    86       0.521  15.642 -17.803  1.00  1.00           C
-ATOM   1317  ND1 HIS    86       1.268  16.594 -18.471  1.00  1.00           N
-ATOM   1318  CD2 HIS    86       1.170  14.455 -17.971  1.00  1.00           C
-ATOM   1319  CE1 HIS    86       2.320  15.997 -19.013  1.00  1.00           C
-ATOM   1320  NE2 HIS    86       2.257  14.670 -18.702  1.00  1.00           N
-ATOM   1323  HB2 HIS    86      -0.807  15.366 -16.161  1.00  1.00           H
-ATOM   1324  HB3 HIS    86      -1.605  15.692 -17.687  1.00  1.00           H
-ATOM   1325  HD1 HIS    86       1.053  17.569 -18.534  1.00  1.00           H
-ATOM   1326  HD2 HIS    86       0.852  13.491 -17.571  1.00  1.00           H
-ATOM   1327  HE1 HIS    86       3.098  16.480 -19.603  1.00  1.00           H
-ATOM   1328  N   SER    87      -2.409  18.554 -15.176  1.00  1.00           N
-ATOM   1329  CA  SER    87      -3.702  18.991 -14.677  1.00  1.00           C
-ATOM   1330  C   SER    87      -4.055  20.360 -15.265  1.00  1.00           C
-ATOM   1331  O   SER    87      -5.230  20.699 -15.393  1.00  1.00           O
-ATOM   1334  H   SER    87      -1.625  18.841 -14.625  1.00  1.00           H
-ATOM   1335  HA  SER    87      -4.412  18.236 -15.015  1.00  1.00           H
-ATOM   1332  CB  SER    87      -3.712  19.052 -13.148  1.00  1.00           C
-ATOM   1333  OG  SER    87      -4.744  18.244 -12.589  1.00  1.00           O
-ATOM   1336  HB2 SER    87      -2.746  18.721 -12.767  1.00  1.00           H
-ATOM   1337  HB3 SER    87      -3.845  20.085 -12.827  1.00  1.00           H
-ATOM   1338  HG  SER    87      -5.636  18.558 -12.913  1.00  1.00           H
-ATOM   1339  N   THR    88      -3.016  21.106 -15.606  1.00  1.00           N
-ATOM   1340  CA  THR    88      -3.201  22.430 -16.177  1.00  1.00           C
-ATOM   1341  C   THR    88      -2.441  22.552 -17.499  1.00  1.00           C
-ATOM   1342  O   THR    88      -2.947  23.135 -18.458  1.00  1.00           O
-ATOM   1346  H   THR    88      -2.062  20.822 -15.499  1.00  1.00           H
-ATOM   1347  HA  THR    88      -4.259  22.561 -16.403  1.00  1.00           H
-ATOM   1343  CB  THR    88      -2.770  23.460 -15.132  1.00  1.00           C
-ATOM   1344  OG1 THR    88      -1.417  23.114 -14.841  1.00  1.00           O
-ATOM   1345  CG2 THR    88      -3.495  23.280 -13.797  1.00  1.00           C
-ATOM   1348  HB  THR    88      -2.895  24.475 -15.510  1.00  1.00           H
-ATOM   1349  HG1 THR    88      -1.390  22.356 -14.192  1.00  1.00           H
-ATOM   1350 HG21 THR    88      -4.571  23.336 -13.958  1.00  1.00           H
-ATOM   1351 HG22 THR    88      -3.243  22.307 -13.375  1.00  1.00           H
-ATOM   1352 HG23 THR    88      -3.188  24.067 -13.108  1.00  1.00           H
-ATOM   1353  N   VAL    89      -1.241  21.990 -17.509  1.00  1.00           N
-ATOM   1354  CA  VAL    89      -0.408  22.029 -18.699  1.00  1.00           C
-ATOM   1355  C   VAL    89      -0.114  20.599 -19.158  1.00  1.00           C
-ATOM   1356  O   VAL    89       0.966  20.070 -18.898  1.00  1.00           O
-ATOM   1360  H   VAL    89      -0.838  21.518 -16.726  1.00  1.00           H
-ATOM   1361  HA  VAL    89      -0.971  22.539 -19.481  1.00  1.00           H
-ATOM   1357  CB  VAL    89       0.860  22.841 -18.424  1.00  1.00           C
-ATOM   1358  CG1 VAL    89       1.787  22.841 -19.641  1.00  1.00           C
-ATOM   1359  CG2 VAL    89       0.515  24.268 -17.996  1.00  1.00           C
-ATOM   1362  HB  VAL    89       1.391  22.363 -17.600  1.00  1.00           H
-ATOM   1363 HG11 VAL    89       1.468  22.067 -20.340  1.00  1.00           H
-ATOM   1364 HG12 VAL    89       1.741  23.814 -20.131  1.00  1.00           H
-ATOM   1365 HG13 VAL    89       2.810  22.643 -19.321  1.00  1.00           H
-ATOM   1366 HG21 VAL    89      -0.458  24.543 -18.401  1.00  1.00           H
-ATOM   1367 HG22 VAL    89       0.487  24.325 -16.908  1.00  1.00           H
-ATOM   1368 HG23 VAL    89       1.273  24.954 -18.376  1.00  1.00           H
-ATOM   1369  N   ALA    90      -1.095  20.014 -19.830  1.00  1.00           N
-ATOM   1370  CA  ALA    90      -0.955  18.657 -20.328  1.00  1.00           C
-ATOM   1371  C   ALA    90       0.010  18.649 -21.515  1.00  1.00           C
-ATOM   1372  O   ALA    90      -0.418  18.578 -22.666  1.00  1.00           O
-ATOM   1374  H   ALA    90      -1.969  20.453 -20.037  1.00  1.00           H
-ATOM   1375  HA  ALA    90      -0.535  18.051 -19.524  1.00  1.00           H
-ATOM   1373  CB  ALA    90      -2.334  18.102 -20.693  1.00  1.00           C
-ATOM   1376  HB1 ALA    90      -3.078  18.491 -19.997  1.00  1.00           H
-ATOM   1377  HB2 ALA    90      -2.591  18.408 -21.707  1.00  1.00           H
-ATOM   1378  HB3 ALA    90      -2.315  17.014 -20.634  1.00  1.00           H
-ATOM   1379  N   ASP    91       1.293  18.722 -21.194  1.00  1.00           N
-ATOM   1380  CA  ASP    91       2.323  18.725 -22.220  1.00  1.00           C
-ATOM   1381  C   ASP    91       2.487  17.307 -22.775  1.00  1.00           C
-ATOM   1382  O   ASP    91       3.313  17.074 -23.656  1.00  1.00           O
-ATOM   1387  H   ASP    91       1.633  18.779 -20.255  1.00  1.00           H
-ATOM   1388  HA  ASP    91       1.973  19.429 -22.975  1.00  1.00           H
-ATOM   1383  CB  ASP    91       3.669  19.168 -21.649  1.00  1.00           C
-ATOM   1384  CG  ASP    91       4.278  20.405 -22.312  1.00  1.00           C
-ATOM   1385  OD1 ASP    91       3.653  20.897 -23.276  1.00  1.00           O
-ATOM   1386  OD2 ASP    91       5.355  20.830 -21.840  1.00  1.00           O
-ATOM   1389  HB2 ASP    91       3.546  19.370 -20.584  1.00  1.00           H
-ATOM   1390  HB3 ASP    91       4.375  18.343 -21.736  1.00  1.00           H
-ATOM   1391  N   GLY    92       1.689  16.399 -22.234  1.00  1.00           N
-ATOM   1392  CA  GLY    92       1.737  15.011 -22.661  1.00  1.00           C
-ATOM   1393  C   GLY    92       0.328  14.464 -22.904  1.00  1.00           C
-ATOM   1394  O   GLY    92      -0.009  14.077 -24.022  1.00  1.00           O
-ATOM   1395  H   GLY    92       1.021  16.597 -21.516  1.00  1.00           H
-ATOM   1396  HA2 GLY    92       2.324  14.930 -23.576  1.00  1.00           H
-ATOM   1397  HA3 GLY    92       2.240  14.410 -21.905  1.00  1.00           H
-ATOM   1398  N   LEU    93      -0.455  14.446 -21.835  1.00  1.00           N
-ATOM   1399  CA  LEU    93      -1.820  13.952 -21.917  1.00  1.00           C
-ATOM   1400  C   LEU    93      -2.655  14.911 -22.768  1.00  1.00           C
-ATOM   1401  O   LEU    93      -2.509  16.128 -22.665  1.00  1.00           O
-ATOM   1406  H   LEU    93      -0.175  14.762 -20.929  1.00  1.00           H
-ATOM   1407  HA  LEU    93      -1.787  12.985 -22.417  1.00  1.00           H
-ATOM   1402  CB  LEU    93      -2.390  13.719 -20.518  1.00  1.00           C
-ATOM   1403  CG  LEU    93      -1.366  13.615 -19.385  1.00  1.00           C
-ATOM   1404  CD1 LEU    93      -2.051  13.306 -18.053  1.00  1.00           C
-ATOM   1405  CD2 LEU    93      -0.279  12.591 -19.721  1.00  1.00           C
-ATOM   1408  HB2 LEU    93      -3.077  14.532 -20.286  1.00  1.00           H
-ATOM   1409  HB3 LEU    93      -2.977  12.800 -20.535  1.00  1.00           H
-ATOM   1410  HG  LEU    93      -0.875  14.582 -19.277  1.00  1.00           H
-ATOM   1411 HD11 LEU    93      -2.964  13.895 -17.969  1.00  1.00           H
-ATOM   1412 HD12 LEU    93      -2.297  12.245 -18.007  1.00  1.00           H
-ATOM   1413 HD13 LEU    93      -1.380  13.559 -17.231  1.00  1.00           H
-ATOM   1414 HD21 LEU    93      -0.683  11.842 -20.400  1.00  1.00           H
-ATOM   1415 HD22 LEU    93       0.562  13.098 -20.195  1.00  1.00           H
-ATOM   1416 HD23 LEU    93       0.059  12.107 -18.805  1.00  1.00           H
-ATOM   1417  N   ILE    94      -3.512  14.326 -23.593  1.00  1.00           N
-ATOM   1418  CA  ILE    94      -4.371  15.113 -24.462  1.00  1.00           C
-ATOM   1419  C   ILE    94      -5.114  16.157 -23.626  1.00  1.00           C
-ATOM   1420  O   ILE    94      -4.678  17.302 -23.526  1.00  1.00           O
-ATOM   1425  H   ILE    94      -3.624  13.335 -23.672  1.00  1.00           H
-ATOM   1426  HA  ILE    94      -3.728  15.632 -25.172  1.00  1.00           H
-ATOM   1421  CB  ILE    94      -5.295  14.200 -25.271  1.00  1.00           C
-ATOM   1422  CG1 ILE    94      -6.431  14.999 -25.910  1.00  1.00           C
-ATOM   1423  CG2 ILE    94      -5.816  13.047 -24.411  1.00  1.00           C
-ATOM   1424  CD1 ILE    94      -7.244  14.126 -26.870  1.00  1.00           C
-ATOM   1427  HB  ILE    94      -4.714  13.760 -26.083  1.00  1.00           H
-ATOM   1428 HG12 ILE    94      -7.085  15.396 -25.132  1.00  1.00           H
-ATOM   1429 HG13 ILE    94      -6.022  15.854 -26.450  1.00  1.00           H
-ATOM   1430 HG21 ILE    94      -5.502  13.193 -23.378  1.00  1.00           H
-ATOM   1431 HG22 ILE    94      -6.906  13.023 -24.460  1.00  1.00           H
-ATOM   1432 HG23 ILE    94      -5.416  12.104 -24.784  1.00  1.00           H
-ATOM   1433 HD11 ILE    94      -7.524  13.201 -26.368  1.00  1.00           H
-ATOM   1434 HD12 ILE    94      -8.143  14.661 -27.174  1.00  1.00           H
-ATOM   1435 HD13 ILE    94      -6.642  13.896 -27.749  1.00  1.00           H
-ATOM   1436  N   THR    95      -6.225  15.723 -23.049  1.00  1.00           N
-ATOM   1437  CA  THR    95      -7.034  16.607 -22.226  1.00  1.00           C
-ATOM   1438  C   THR    95      -6.420  16.748 -20.832  1.00  1.00           C
-ATOM   1439  O   THR    95      -5.499  16.013 -20.479  1.00  1.00           O
-ATOM   1443  H   THR    95      -6.573  14.790 -23.136  1.00  1.00           H
-ATOM   1444  HA  THR    95      -7.030  17.598 -22.678  1.00  1.00           H
-ATOM   1440  CB  THR    95      -8.463  16.060 -22.208  1.00  1.00           C
-ATOM   1441  OG1 THR    95      -9.102  16.791 -21.167  1.00  1.00           O
-ATOM   1442  CG2 THR    95      -8.528  14.606 -21.737  1.00  1.00           C
-ATOM   1445  HB  THR    95      -8.935  16.175 -23.184  1.00  1.00           H
-ATOM   1446  HG1 THR    95     -10.059  16.512 -21.088  1.00  1.00           H
-ATOM   1447 HG21 THR    95      -7.557  14.310 -21.337  1.00  1.00           H
-ATOM   1448 HG22 THR    95      -9.287  14.510 -20.960  1.00  1.00           H
-ATOM   1449 HG23 THR    95      -8.785  13.963 -22.578  1.00  1.00           H
-ATOM   1450  N   THR    96      -6.956  17.694 -20.077  1.00  1.00           N
-ATOM   1451  CA  THR    96      -6.473  17.941 -18.729  1.00  1.00           C
-ATOM   1452  C   THR    96      -7.502  17.470 -17.698  1.00  1.00           C
-ATOM   1453  O   THR    96      -8.553  18.085 -17.539  1.00  1.00           O
-ATOM   1457  H   THR    96      -7.706  18.287 -20.370  1.00  1.00           H
-ATOM   1458  HA  THR    96      -5.570  17.349 -18.574  1.00  1.00           H
-ATOM   1454  CB  THR    96      -6.134  19.428 -18.612  1.00  1.00           C
-ATOM   1455  OG1 THR    96      -7.389  20.050 -18.349  1.00  1.00           O
-ATOM   1456  CG2 THR    96      -5.689  20.034 -19.945  1.00  1.00           C
-ATOM   1459  HB  THR    96      -5.385  19.596 -17.838  1.00  1.00           H
-ATOM   1460  HG1 THR    96      -8.037  19.836 -19.080  1.00  1.00           H
-ATOM   1461 HG21 THR    96      -6.326  19.655 -20.745  1.00  1.00           H
-ATOM   1462 HG22 THR    96      -5.774  21.119 -19.897  1.00  1.00           H
-ATOM   1463 HG23 THR    96      -4.654  19.758 -20.143  1.00  1.00           H
-ATOM   1464  N   LEU    97      -7.161  16.380 -17.026  1.00  1.00           N
-ATOM   1465  CA  LEU    97      -8.041  15.817 -16.016  1.00  1.00           C
-ATOM   1466  C   LEU    97      -8.829  16.947 -15.347  1.00  1.00           C
-ATOM   1467  O   LEU    97      -8.297  18.035 -15.130  1.00  1.00           O
-ATOM   1472  H   LEU    97      -6.304  15.884 -17.161  1.00  1.00           H
-ATOM   1473  HA  LEU    97      -8.745  15.160 -16.525  1.00  1.00           H
-ATOM   1468  CB  LEU    97      -7.247  14.955 -15.033  1.00  1.00           C
-ATOM   1469  CG  LEU    97      -6.077  15.644 -14.329  1.00  1.00           C
-ATOM   1470  CD1 LEU    97      -5.910  15.123 -12.900  1.00  1.00           C
-ATOM   1471  CD2 LEU    97      -4.789  15.507 -15.143  1.00  1.00           C
-ATOM   1474  HB2 LEU    97      -7.933  14.582 -14.272  1.00  1.00           H
-ATOM   1475  HB3 LEU    97      -6.863  14.088 -15.569  1.00  1.00           H
-ATOM   1476  HG  LEU    97      -6.300  16.710 -14.258  1.00  1.00           H
-ATOM   1477 HD11 LEU    97      -6.880  14.806 -12.515  1.00  1.00           H
-ATOM   1478 HD12 LEU    97      -5.226  14.275 -12.901  1.00  1.00           H
-ATOM   1479 HD13 LEU    97      -5.510  15.915 -12.269  1.00  1.00           H
-ATOM   1480 HD21 LEU    97      -4.721  14.496 -15.546  1.00  1.00           H
-ATOM   1481 HD22 LEU    97      -4.799  16.224 -15.964  1.00  1.00           H
-ATOM   1482 HD23 LEU    97      -3.931  15.702 -14.501  1.00  1.00           H
-ATOM   1483  N   HIS    98     -10.083  16.649 -15.038  1.00  1.00           N
-ATOM   1484  CA  HIS    98     -10.947  17.625 -14.399  1.00  1.00           C
-ATOM   1485  C   HIS    98     -11.561  17.017 -13.136  1.00  1.00           C
-ATOM   1486  O   HIS    98     -11.474  17.601 -12.057  1.00  1.00           O
-ATOM   1493  H   HIS    98     -10.506  15.761 -15.218  1.00  1.00           H
-ATOM   1494  HA  HIS    98     -10.314  18.467 -14.117  1.00  1.00           H
-ATOM   1487  CB  HIS    98     -12.002  18.142 -15.379  1.00  1.00           C
-ATOM   1488  CG  HIS    98     -11.752  17.745 -16.816  1.00  1.00           C
-ATOM   1489  ND1 HIS    98     -10.659  18.192 -17.537  1.00  1.00           N
-ATOM   1490  CD2 HIS    98     -12.464  16.939 -17.654  1.00  1.00           C
-ATOM   1491  CE1 HIS    98     -10.721  17.671 -18.754  1.00  1.00           C
-ATOM   1492  NE2 HIS    98     -11.840  16.895 -18.825  1.00  1.00           N
-ATOM   1495  HB2 HIS    98     -12.979  17.771 -15.076  1.00  1.00           H
-ATOM   1496  HB3 HIS    98     -12.040  19.229 -15.317  1.00  1.00           H
-ATOM   1497  HD1 HIS    98      -9.944  18.802 -17.199  1.00  1.00           H
-ATOM   1498  HD2 HIS    98     -13.387  16.417 -17.403  1.00  1.00           H
-ATOM   1499  HE1 HIS    98     -10.003  17.834 -19.559  1.00  1.00           H
-ATOM   1500  N   TYR    99     -12.169  15.853 -13.313  1.00  1.00           N
-ATOM   1501  CA  TYR    99     -12.797  15.160 -12.201  1.00  1.00           C
-ATOM   1502  C   TYR    99     -12.123  13.809 -11.947  1.00  1.00           C
-ATOM   1503  O   TYR    99     -12.199  12.907 -12.778  1.00  1.00           O
-ATOM   1512  H   TYR    99     -12.235  15.385 -14.195  1.00  1.00           H
-ATOM   1513  HA  TYR    99     -12.691  15.784 -11.313  1.00  1.00           H
-ATOM   1504  CB  TYR    99     -14.249  14.922 -12.619  1.00  1.00           C
-ATOM   1505  CG  TYR    99     -15.143  16.158 -12.494  1.00  1.00           C
-ATOM   1506  CD1 TYR    99     -15.202  17.073 -13.525  1.00  1.00           C
-ATOM   1507  CD2 TYR    99     -15.890  16.356 -11.352  1.00  1.00           C
-ATOM   1508  CE1 TYR    99     -16.043  18.235 -13.409  1.00  1.00           C
-ATOM   1509  CE2 TYR    99     -16.732  17.519 -11.235  1.00  1.00           C
-ATOM   1510  CZ  TYR    99     -16.766  18.401 -12.269  1.00  1.00           C
-ATOM   1511  OH  TYR    99     -17.561  19.499 -12.158  1.00  1.00           O
-ATOM   1514  HB2 TYR    99     -14.267  14.575 -13.652  1.00  1.00           H
-ATOM   1515  HB3 TYR    99     -14.666  14.121 -12.007  1.00  1.00           H
-ATOM   1516  HD1 TYR    99     -14.611  16.916 -14.427  1.00  1.00           H
-ATOM   1517  HD2 TYR    99     -15.844  15.631 -10.537  1.00  1.00           H
-ATOM   1518  HE1 TYR    99     -16.099  18.966 -14.215  1.00  1.00           H
-ATOM   1519  HE2 TYR    99     -17.328  17.687 -10.338  1.00  1.00           H
-ATOM   1520  HH  TYR    99     -18.338  19.300 -11.559  1.00  1.00           H
-ATOM   1521  N   PRO   100     -11.463  13.712 -10.761  1.00  1.00           N
-ATOM   1522  CA  PRO   100     -10.777  12.486 -10.386  1.00  1.00           C
-ATOM   1523  C   PRO   100     -11.774  11.408  -9.959  1.00  1.00           C
-ATOM   1524  O   PRO   100     -12.127  11.315  -8.785  1.00  1.00           O
-ATOM   1528  HA  PRO   100     -10.286  12.109 -11.171  1.00  1.00           H
-ATOM   1525  CB  PRO   100      -9.827  12.893  -9.271  1.00  1.00           C
-ATOM   1526  CG  PRO   100     -10.345  14.224  -8.747  1.00  1.00           C
-ATOM   1527  CD  PRO   100     -11.352  14.760  -9.751  1.00  1.00           C
-ATOM   1529  HB2 PRO   100      -9.809  12.142  -8.482  1.00  1.00           H
-ATOM   1530  HB3 PRO   100      -8.806  12.991  -9.642  1.00  1.00           H
-ATOM   1531  HG2 PRO   100     -10.812  14.092  -7.771  1.00  1.00           H
-ATOM   1532  HG3 PRO   100      -9.523  14.927  -8.616  1.00  1.00           H
-ATOM   1533  HD2 PRO   100     -12.314  14.959  -9.279  1.00  1.00           H
-ATOM   1534  HD3 PRO   100     -11.012  15.698 -10.190  1.00  1.00           H
-ATOM   1535  N   ALA   101     -12.200  10.621 -10.935  1.00  1.00           N
-ATOM   1536  CA  ALA   101     -13.149   9.552 -10.675  1.00  1.00           C
-ATOM   1537  C   ALA   101     -12.826   8.905  -9.327  1.00  1.00           C
-ATOM   1538  O   ALA   101     -11.939   8.057  -9.239  1.00  1.00           O
-ATOM   1540  H   ALA   101     -11.908  10.704 -11.888  1.00  1.00           H
-ATOM   1541  HA  ALA   101     -14.143   9.997 -10.626  1.00  1.00           H
-ATOM   1539  CB  ALA   101     -13.117   8.547 -11.827  1.00  1.00           C
-ATOM   1542  HB1 ALA   101     -13.344   9.059 -12.763  1.00  1.00           H
-ATOM   1543  HB2 ALA   101     -12.125   8.101 -11.891  1.00  1.00           H
-ATOM   1544  HB3 ALA   101     -13.856   7.767 -11.651  1.00  1.00           H
-ATOM   1545  N   PRO   102     -13.582   9.341  -8.284  1.00  1.00           N
-ATOM   1546  CA  PRO   102     -13.383   8.813  -6.945  1.00  1.00           C
-ATOM   1547  C   PRO   102     -13.963   7.403  -6.820  1.00  1.00           C
-ATOM   1548  O   PRO   102     -14.682   6.943  -7.705  1.00  1.00           O
-ATOM   1552  HA  PRO   102     -12.407   8.726  -6.747  1.00  1.00           H
-ATOM   1549  CB  PRO   102     -14.058   9.816  -6.023  1.00  1.00           C
-ATOM   1550  CG  PRO   102     -15.004  10.619  -6.901  1.00  1.00           C
-ATOM   1551  CD  PRO   102     -14.640  10.345  -8.351  1.00  1.00           C
-ATOM   1553  HB2 PRO   102     -14.601   9.311  -5.225  1.00  1.00           H
-ATOM   1554  HB3 PRO   102     -13.322  10.465  -5.546  1.00  1.00           H
-ATOM   1555  HG2 PRO   102     -16.037  10.335  -6.706  1.00  1.00           H
-ATOM   1556  HG3 PRO   102     -14.919  11.684  -6.681  1.00  1.00           H
-ATOM   1557  HD2 PRO   102     -15.498   9.977  -8.911  1.00  1.00           H
-ATOM   1558  HD3 PRO   102     -14.296  11.251  -8.852  1.00  1.00           H
-ATOM   1559  N   LYS   103     -13.629   6.756  -5.712  1.00  1.00           N
-ATOM   1560  CA  LYS   103     -14.108   5.408  -5.461  1.00  1.00           C
-ATOM   1561  C   LYS   103     -15.538   5.471  -4.921  1.00  1.00           C
-ATOM   1562  O   LYS   103     -15.748   5.467  -3.708  1.00  1.00           O
-ATOM   1568  H   LYS   103     -13.044   7.138  -4.997  1.00  1.00           H
-ATOM   1569  HA  LYS   103     -14.122   4.883  -6.415  1.00  1.00           H
-ATOM   1563  CB  LYS   103     -13.137   4.658  -4.546  1.00  1.00           C
-ATOM   1564  CG  LYS   103     -11.710   5.184  -4.709  1.00  1.00           C
-ATOM   1565  CD  LYS   103     -11.367   5.387  -6.186  1.00  1.00           C
-ATOM   1566  CE  LYS   103     -10.578   6.682  -6.393  1.00  1.00           C
-ATOM   1567  NZ  LYS   103     -10.310   6.902  -7.832  1.00  1.00           N
-ATOM   1570  HB2 LYS   103     -13.453   4.766  -3.508  1.00  1.00           H
-ATOM   1571  HB3 LYS   103     -13.165   3.593  -4.776  1.00  1.00           H
-ATOM   1572  HG2 LYS   103     -11.604   6.128  -4.175  1.00  1.00           H
-ATOM   1573  HG3 LYS   103     -11.007   4.483  -4.262  1.00  1.00           H
-ATOM   1574  HD2 LYS   103     -10.785   4.540  -6.547  1.00  1.00           H
-ATOM   1575  HD3 LYS   103     -12.284   5.418  -6.776  1.00  1.00           H
-ATOM   1576  HE2 LYS   103     -11.138   7.525  -5.988  1.00  1.00           H
-ATOM   1577  HE3 LYS   103      -9.637   6.633  -5.845  1.00  1.00           H
-ATOM   1578  HZ1 LYS   103      -9.855   6.096  -8.213  1.00  1.00           H
-ATOM   1579  HZ2 LYS   103     -11.173   7.056  -8.312  1.00  1.00           H
-ATOM   1580  HZ3 LYS   103      -9.719   7.701  -7.942  1.00  1.00           H
-ATOM   1581  N   ARG   104     -16.484   5.529  -5.847  1.00  1.00           N
-ATOM   1582  CA  ARG   104     -17.888   5.594  -5.479  1.00  1.00           C
-ATOM   1583  C   ARG   104     -18.396   4.206  -5.082  1.00  1.00           C
-ATOM   1584  O   ARG   104     -18.069   3.212  -5.727  1.00  1.00           O
-ATOM   1592  H   ARG   104     -16.304   5.532  -6.831  1.00  1.00           H
-ATOM   1593  HA  ARG   104     -17.924   6.282  -4.635  1.00  1.00           H
-ATOM   1585  CB  ARG   104     -18.737   6.128  -6.634  1.00  1.00           C
-ATOM   1586  CG  ARG   104     -19.352   7.483  -6.282  1.00  1.00           C
-ATOM   1587  CD  ARG   104     -18.578   8.625  -6.942  1.00  1.00           C
-ATOM   1588  NE  ARG   104     -19.483   9.771  -7.192  1.00  1.00           N
-ATOM   1589  CZ  ARG   104     -19.299  10.676  -8.163  1.00  1.00           C
-ATOM   1590  NH1 ARG   104     -18.242  10.574  -8.981  1.00  1.00           N
-ATOM   1591  NH2 ARG   104     -20.169  11.682  -8.316  1.00  1.00           N
-ATOM   1594  HB2 ARG   104     -18.119   6.226  -7.528  1.00  1.00           H
-ATOM   1595  HB3 ARG   104     -19.526   5.415  -6.870  1.00  1.00           H
-ATOM   1596  HG2 ARG   104     -20.393   7.508  -6.605  1.00  1.00           H
-ATOM   1597  HG3 ARG   104     -19.352   7.616  -5.200  1.00  1.00           H
-ATOM   1598  HD2 ARG   104     -17.754   8.936  -6.302  1.00  1.00           H
-ATOM   1599  HD3 ARG   104     -18.142   8.286  -7.882  1.00  1.00           H
-ATOM   1600  HE  ARG   104     -20.281   9.877  -6.598  1.00  1.00           H
-ATOM   1601 HH11 ARG   104     -17.593   9.823  -8.868  1.00  1.00           H
-ATOM   1602 HH12 ARG   104     -18.105  11.250  -9.707  1.00  1.00           H
-ATOM   1603 HH21 ARG   104     -20.958  11.758  -7.706  1.00  1.00           H
-ATOM   1604 HH22 ARG   104     -20.032  12.356  -9.041  1.00  1.00           H
-ATOM   1605  N   GLY   105     -19.188   4.184  -4.018  1.00  1.00           N
-ATOM   1606  CA  GLY   105     -19.746   2.936  -3.527  1.00  1.00           C
-ATOM   1607  C   GLY   105     -21.062   2.607  -4.233  1.00  1.00           C
-ATOM   1608  O   GLY   105     -21.253   2.962  -5.395  1.00  1.00           O
-ATOM   1609  H   GLY   105     -19.449   4.997  -3.499  1.00  1.00           H
-ATOM   1610  HA2 GLY   105     -19.031   2.126  -3.687  1.00  1.00           H
-ATOM   1611  HA3 GLY   105     -19.912   3.005  -2.453  1.00  1.00           H
-ATOM   1612  N   ILE   106     -21.936   1.932  -3.501  1.00  1.00           N
-ATOM   1613  CA  ILE   106     -23.230   1.551  -4.043  1.00  1.00           C
-ATOM   1614  C   ILE   106     -24.318   1.841  -3.007  1.00  1.00           C
-ATOM   1615  O   ILE   106     -25.162   2.712  -3.213  1.00  1.00           O
-ATOM   1620  H   ILE   106     -21.774   1.646  -2.557  1.00  1.00           H
-ATOM   1621  HA  ILE   106     -23.413   2.174  -4.919  1.00  1.00           H
-ATOM   1616  CB  ILE   106     -23.206   0.098  -4.518  1.00  1.00           C
-ATOM   1617  CG1 ILE   106     -24.601  -0.366  -4.940  1.00  1.00           C
-ATOM   1618  CG2 ILE   106     -22.597  -0.817  -3.453  1.00  1.00           C
-ATOM   1619  CD1 ILE   106     -24.965   0.178  -6.323  1.00  1.00           C
-ATOM   1622  HB  ILE   106     -22.566   0.036  -5.398  1.00  1.00           H
-ATOM   1623 HG12 ILE   106     -24.638  -1.455  -4.952  1.00  1.00           H
-ATOM   1624 HG13 ILE   106     -25.336  -0.030  -4.209  1.00  1.00           H
-ATOM   1625 HG21 ILE   106     -21.901  -0.246  -2.839  1.00  1.00           H
-ATOM   1626 HG22 ILE   106     -23.390  -1.221  -2.823  1.00  1.00           H
-ATOM   1627 HG23 ILE   106     -22.065  -1.636  -3.937  1.00  1.00           H
-ATOM   1628 HD11 ILE   106     -24.392   1.084  -6.518  1.00  1.00           H
-ATOM   1629 HD12 ILE   106     -24.730  -0.570  -7.081  1.00  1.00           H
-ATOM   1630 HD13 ILE   106     -26.029   0.406  -6.357  1.00  1.00           H
-ATOM   1631  N   HIS   107     -24.262   1.096  -1.913  1.00  1.00           N
-ATOM   1632  CA  HIS   107     -25.233   1.262  -0.844  1.00  1.00           C
-ATOM   1633  C   HIS   107     -25.230   0.018   0.048  1.00  1.00           C
-ATOM   1634  O   HIS   107     -25.371   0.124   1.267  1.00  1.00           O
-ATOM   1641  H   HIS   107     -23.573   0.388  -1.753  1.00  1.00           H
-ATOM   1642  HA  HIS   107     -24.907   2.120  -0.258  1.00  1.00           H
-ATOM   1635  CB  HIS   107     -26.617   1.581  -1.412  1.00  1.00           C
-ATOM   1636  CG  HIS   107     -26.991   0.756  -2.619  1.00  1.00           C
-ATOM   1637  ND1 HIS   107     -27.039  -0.627  -2.598  1.00  1.00           N
-ATOM   1638  CD2 HIS   107     -27.336   1.133  -3.885  1.00  1.00           C
-ATOM   1639  CE1 HIS   107     -27.396  -1.052  -3.800  1.00  1.00           C
-ATOM   1640  NE2 HIS   107     -27.580   0.041  -4.597  1.00  1.00           N
-ATOM   1643  HB2 HIS   107     -27.363   1.425  -0.632  1.00  1.00           H
-ATOM   1644  HB3 HIS   107     -26.653   2.637  -1.680  1.00  1.00           H
-ATOM   1645  HD1 HIS   107     -26.838  -1.206  -1.807  1.00  1.00           H
-ATOM   1646  HD2 HIS   107     -27.399   2.159  -4.248  1.00  1.00           H
-ATOM   1647  HE1 HIS   107     -27.523  -2.092  -4.101  1.00  1.00           H
-ATOM   1648  N   ARG   108     -25.070  -1.130  -0.592  1.00  1.00           N
-ATOM   1649  CA  ARG   108     -25.047  -2.392   0.129  1.00  1.00           C
-ATOM   1650  C   ARG   108     -24.295  -2.234   1.453  1.00  1.00           C
-ATOM   1651  O   ARG   108     -23.094  -1.967   1.460  1.00  1.00           O
-ATOM   1659  H   ARG   108     -24.955  -1.207  -1.582  1.00  1.00           H
-ATOM   1660  HA  ARG   108     -26.095  -2.633   0.302  1.00  1.00           H
-ATOM   1652  CB  ARG   108     -24.378  -3.488  -0.701  1.00  1.00           C
-ATOM   1653  CG  ARG   108     -25.424  -4.396  -1.354  1.00  1.00           C
-ATOM   1654  CD  ARG   108     -26.005  -3.745  -2.610  1.00  1.00           C
-ATOM   1655  NE  ARG   108     -27.484  -3.815  -2.579  1.00  1.00           N
-ATOM   1656  CZ  ARG   108     -28.220  -4.558  -3.418  1.00  1.00           C
-ATOM   1657  NH1 ARG   108     -27.619  -5.299  -4.359  1.00  1.00           N
-ATOM   1658  NH2 ARG   108     -29.555  -4.559  -3.315  1.00  1.00           N
-ATOM   1661  HB2 ARG   108     -23.753  -3.037  -1.471  1.00  1.00           H
-ATOM   1662  HB3 ARG   108     -23.722  -4.083  -0.065  1.00  1.00           H
-ATOM   1663  HG2 ARG   108     -24.971  -5.352  -1.611  1.00  1.00           H
-ATOM   1664  HG3 ARG   108     -26.225  -4.604  -0.643  1.00  1.00           H
-ATOM   1665  HD2 ARG   108     -25.683  -2.707  -2.675  1.00  1.00           H
-ATOM   1666  HD3 ARG   108     -25.629  -4.253  -3.499  1.00  1.00           H
-ATOM   1667  HE  ARG   108     -27.964  -3.274  -1.888  1.00  1.00           H
-ATOM   1668 HH11 ARG   108     -26.622  -5.298  -4.435  1.00  1.00           H
-ATOM   1669 HH12 ARG   108     -28.167  -5.853  -4.985  1.00  1.00           H
-ATOM   1670 HH21 ARG   108     -30.004  -4.007  -2.613  1.00  1.00           H
-ATOM   1671 HH22 ARG   108     -30.105  -5.114  -3.940  1.00  1.00           H
-ATOM   1672  N   ASP   109     -25.032  -2.405   2.540  1.00  1.00           N
-ATOM   1673  CA  ASP   109     -24.449  -2.284   3.866  1.00  1.00           C
-ATOM   1674  C   ASP   109     -25.535  -2.515   4.917  1.00  1.00           C
-ATOM   1675  O   ASP   109     -25.194  -3.106   5.965  1.00  1.00           O
-ATOM   1681  H   ASP   109     -26.007  -2.620   2.525  1.00  1.00           H
-ATOM   1682  HA  ASP   109     -23.664  -3.040   3.903  1.00  1.00           H
-ATOM   1676  CB  ASP   109     -23.866  -0.887   4.086  1.00  1.00           C
-ATOM   1677  CG  ASP   109     -24.880   0.178   4.508  1.00  1.00           C
-ATOM   1678  OD1 ASP   109     -25.504   0.837   3.662  1.00  1.00           O
-ATOM   1679  OD2 ASP   109     -25.022   0.322   5.784  1.00  1.00           O
-ATOM   1683  HB2 ASP   109     -23.090  -0.950   4.848  1.00  1.00           H
-ATOM   1684  HB3 ASP   109     -23.383  -0.561   3.165  1.00  1.00           H
-ATOM   1680  OXT ASP   109     -26.687  -2.128   4.722  1.00  1.00           O
-TER
-END

From 9ae44697419ffc3d5ae8b956cebe46274872c981 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Fri, 10 Jul 2015 11:30:55 +0200
Subject: [PATCH 08/61] TMScore create

---
 Mobi/Sources/TmScore.cc | 196 ++++++++++++++++++++++++++++++++++++++++
 Mobi/Sources/TmScore.h  | 101 +++++++++++++++++++++
 Mobi/Sources/TmScore.o  | Bin 0 -> 34288 bytes
 Mobi/data/TMscore       | Bin 0 -> 1015181 bytes
 4 files changed, 297 insertions(+)
 create mode 100644 Mobi/Sources/TmScore.cc
 create mode 100644 Mobi/Sources/TmScore.h
 create mode 100644 Mobi/Sources/TmScore.o
 create mode 100755 Mobi/data/TMscore

diff --git a/Mobi/Sources/TmScore.cc b/Mobi/Sources/TmScore.cc
new file mode 100644
index 0000000..67de9dc
--- /dev/null
+++ b/Mobi/Sources/TmScore.cc
@@ -0,0 +1,196 @@
+/* 	This file is part of Victor
+
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ GNU General Public License for more details.
+
+ You should have received a copy of the GNU General Public License
+ along with Victor.  If not, see <http://www.gnu.org/licenses/>.
+ */
+
+/**
+ * @file TmScore.cc
+ * @author Riccardo Zanella
+ * @date Lug 2015
+ * @version 0.1
+ */
+#include <TmScore.h>
+#include <PdbSaver.h>
+#include <unistd.h>
+#include <stdlib.h>
+#include <sys/types.h>
+#include <sys/wait.h>
+#include <Debug.h>
+#include <stdio.h>
+#include <string>
+#include <iostream>
+#include <errno.h>
+
+using namespace Victor::Mobi;
+using namespace Victor::Biopool;
+using namespace std;
+
+const string TMTMP_IN1 = "tmin1.pdb";
+const string TMTMP_IN2 = "tmin2.pdb";
+const string TMTMP_OUT = "TMScore.pdb";
+
+
+TmScore::TmScore(string _binary, string output, bool verbose) :
+		binary(_binary), outputTmScore(output + TMTMP_OUT), verbose(verbose) {}
+
+//TmScore::TmScore(string _binary, string output, bool verbose) :
+//		binary(_binary), tmp(output.substr(output.length() - 1, 1) == "/" ?
+//						output : output + "/"), verbose(verbose) {
+//}
+
+TmScore::~TmScore(){}
+
+
+void TmScore::TmImpose(string modelFile, string nativeFile) {
+
+//	double score = -1;
+//	string score_tmp;
+
+	//se i file sono accessibili in lettura
+	if (access(modelFile.c_str(), R_OK) == 0
+			&& access(nativeFile.c_str(), R_OK) == 0) {
+
+		//se l'eseguibile ha i permessi di esecuzione
+		if (access(binary.c_str(), X_OK) == 0) {
+			pid_t pid;
+			if (this->verbose) cout << "Accesso consentito." <<endl;
+			//Pipeing TMS output
+			int pipefd[2];
+			pipe(pipefd);
+			//Forking child for TMS
+			pid = fork();
+			if (pid < 0) {
+				ERROR("Unable to fork child process", error);
+			} else {
+				if (pid == 0) {
+					close(pipefd[0]);												//close input pipe
+					if (dup2(pipefd[1], 1)<0)
+						ERROR("Unable to redirect output TMScore",error);			//stdout
+					if (dup2(pipefd[1], 2)<0)
+						ERROR("Unable to redirect error output TMScore",error);		//stderr
+					close(pipefd[1]);												//close output pipe
+					if (this->verbose) cout << "Eseguo TMScore" <<endl;
+					if (execl(binary.c_str(), binary.c_str(), modelFile.c_str(),
+							nativeFile.c_str(), "-o", outputTmScore.c_str(), NULL))
+						ERROR("Unable to exec", error);
+				} else {
+					//Read output from child pipe
+					int status;
+					wait(&status);
+
+					remove(outputTmScore.c_str());
+//					char buffer[2048];
+//					bool flag=true;
+//					//la read implementa un sync al suo interno, questo mi permette di aspettare l'output del figlio senza pensieri
+//					while(flag){
+//					int a=read(pipefd[0], buffer, sizeof(buffer));
+//					if ( a> 0) {
+//						if (this->verbose) cout << "Accesso alla read." <<endl;
+//						char * tok;
+//						tok = strtok(buffer, "\n\r");			//spezzetto la stringa in token
+//						while (tok != NULL) {
+//							//cerco il valore del tm score
+//							if (string(tok).find("TM-score") == 0)
+//								if (string(tok).find("=") > 0){
+//									//stringa valore TM-score
+//									score_tmp=string(tok).substr(string(tok).find("=") + 2,6);
+//									//converto in double il valore del TM-score
+//									score = std::strtod(score_tmp.c_str(), NULL);
+//									flag=false;
+//								}
+//							//termino ricerca
+//							tok = strtok(NULL, "\n\r");
+//						}
+//					}
+//					if (a == 0) {
+//						ERROR ("Connessione chiusa", exeption);
+//					}
+//					if (a == -1) {
+//						cout << "Errore nella read" << endl;
+//						strerror(errno);
+//					}
+////					if (score < 0)
+////						ERROR("TM-score failed or non recognised output",exception)
+////						else if (this->verbose) cout << "valore dello score: " << score <<endl;
+//				}
+//					if (this->verbose) cout << "valore dello score: " << score <<endl;
+				}
+			}
+		} else
+			ERROR("No access to " + binary + "  binary!", exception);
+	} else
+		ERROR("No access to pdb files " + modelFile + " or " + nativeFile, exception);
+
+	//return spacerFromTMOutput(outputTmScore + TMTMP_OUT + "_atm", imposedModel);
+}
+
+//void TmScore::TMImpose(ProteinModels& prot, unsigned int model, unsigned int native, ProteinModels** imposedModel) {
+//
+//	stringstream sstm;
+//	sstm << "TMScore between models " << model << " and " << native;
+//	DEBUG_MSG(sstm.str());
+//
+//	//Save spacers in pdb files
+//	std::ofstream fout;
+//	PdbSaver ps(fout);
+//	fout.open((tmp + TMTMP_IN1).c_str());
+//	ps.saveSpacer(prot.getModel(model));
+//	ps.endFile();
+//	fout.close();
+//	fout.open((tmp + TMTMP_IN2).c_str());
+//	ps.saveSpacer(prot.getModel(native));
+//	ps.endFile();
+//	fout.close();
+//
+//	//Call TMScore binary
+//	return TMImpose((tmp + TMTMP_IN1), (tmp + TMTMP_IN2), imposedModel);
+//}
+//
+Spacer* TmScore::spacerFromTMOutput(string pdbFile) {
+	if (access(pdbFile.c_str(), R_OK) != 0)
+		ERROR("Cannot read pdb file to fix", exception);
+
+	ifstream inFile(pdbFile.c_str());
+	stringstream buffer;
+	string line;
+	while (inFile) {
+		line = readLine(inFile);
+		if (line.substr(0, 16) == "REMARK  TM-score") {
+			buffer << line << endl;
+			if (line.substr(6, 8) == "TM-score")
+				buffer << "MODEL        1" << endl;
+		} else if (line.substr(0, 6) == "ATOM  ") {
+			buffer << line << endl;
+		} else if (line.substr(0, 3) == "TER") {
+			buffer << line << endl;
+			buffer << "ENDMDL" << endl;
+			break;
+		}
+	}
+	buffer.clear();
+	buffer.seekg(0);
+	//Load from memory buffer
+	PdbLoader pl(buffer);
+	if (!verbose)
+		pl.setNoVerbose();
+	//Load and return protein object
+	//*imposedModel = new ProteinModels();
+	pl.setModel(1);
+	pl.checkModel();
+	Protein prot;
+	pl.loadProtein(prot);
+	unsigned int d=0;
+	return prot.getSpacer(d);
+}
+
diff --git a/Mobi/Sources/TmScore.h b/Mobi/Sources/TmScore.h
new file mode 100644
index 0000000..ee370f3
--- /dev/null
+++ b/Mobi/Sources/TmScore.h
@@ -0,0 +1,101 @@
+/* This file is part of Victor
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+ You should have received a copy of the GNU General Public License
+ along with Victor. If not, see <http://www.gnu.org/licenses/>.
+ */
+/**
+ * @file TmScore.h
+ * @author Riccardo Zanella
+ * @date Lug 2015
+ * @version 0.1
+ */
+
+#ifndef MOBI_SOURCES_TMSCOREBIN_H_
+#define MOBI_SOURCES_TMSCOREBIN_H_
+
+#include <iostream>
+#include <string>
+#include <ProteinModels.h>
+
+
+using namespace Victor::Biopool;
+using namespace Victor::Mobi;
+using namespace std;
+
+
+extern const string TMTMP_IN1;
+extern const string TMTMP_IN2;
+extern const string TMTMP_OUT;
+
+
+namespace Victor {
+
+namespace Mobi {
+
+/**
+ * @brief TMScore functionalities through external binary.
+ */
+
+class TmScore {
+
+public:
+	/**
+	 * @brief Setup.
+	 * @param _binary (string) full path to binary TMScore file, must have execution permission
+	 * @param _tmp (string) full path to temp dir, must have write permission
+	 */
+	TmScore(string _binary = "TMScore", string output = ".", bool _verbose = false);
+	/**
+	 * @brief Given two pdb files containing each a model of the same protein,
+	 * call TMScore binary to superimpose the first over the second. The superimposed (rotated/traslated)
+	 * model is then loaded in a ProteinModels using the double pointer provided.
+	 * @param modelFile (string) full path to model#1 file
+	 * @param nativeFile (string) full path to model#2 file
+	 * @param imposedModel(ProteinModel**) double pointer of type ProteinModel, as output
+	 */
+	void TmImpose(string modelFile, string nativeFile);//, ProteinModels** imposedModel);
+	/**
+	 * @brief Given a ProteinModel call TMScore binary to superimpose two models contained in it.
+	 * The superimposed (rotated/traslated) model is then loaded in a ProteinModel using the double pointer provided.
+	 * @param prot(ProteinModel&) reference to ProteinModel object
+	 * @param model (unsigned int) model#1 name in ProteinModel object
+	 * @param native (unsigned int) model#2 name in ProteinModel object
+	 * @param imposedModel(ProteinModel**) double pointer of type ProteinModel, as output
+	 */
+//	virtual void TMImpose(ProteinModel& prot, unsigned int model,
+//			unsigned int native, ProteinModel** imposedModel);
+//	/**
+//	 * @brief the TMScore output is not pdb conformant. This static method read the output and fix it in a memory buffer.
+//	 * Then loads a ProteinModel with the superimposed model only.
+//	 * @param pdbFile (string) full path to TMScore output
+//	 * @param imposedModel (ProteinModel**) double pointer of type PRoteinModel, as output
+//	 */
+	Spacer* spacerFromTMOutput(string pdbFile);
+	/**
+//	 * Set verbosity.
+//	 * Verbosity is applied on PdbLoader instances.
+//	 * @param v (bool) new verbosity option
+//	 */
+	void setVerbose(bool v) {
+		verbose = v;
+	}
+	/**
+	 * Default deconstructor
+	 */
+	~TmScore();
+
+public:
+	string binary;
+	const string outputTmScore;
+	bool verbose;
+};
+}
+}
+#endif /* MOBI_SOURCES_TMSCOREBIN_H_ */
diff --git a/Mobi/Sources/TmScore.o b/Mobi/Sources/TmScore.o
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diff --git a/Mobi/data/TMscore b/Mobi/data/TMscore
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HcmV?d00001


From 2a11b5858889c163ba8182ecd04ea331fe6bd40b Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Sat, 11 Jul 2015 13:02:49 +0200
Subject: [PATCH 09/61] Sistemato problema di ritorno proteina traslata

---
 .settings/language.settings.xml |   2 +-
 Mobi/APPS/mobi.cc               |  35 +++-
 Mobi/APPS/mobi.o                | Bin 20704 -> 29416 bytes
 Mobi/Sources/ProteinModels.cc   |   8 +-
 Mobi/Sources/ProteinModels.h    |   1 +
 Mobi/Sources/ProteinModels.o    | Bin 49616 -> 49968 bytes
 Mobi/Sources/TmScore.cc         | 273 ++++++++++++++++++++++----------
 Mobi/Sources/TmScore.h          |   5 +-
 Mobi/Sources/TmScore.o          | Bin 34288 -> 34640 bytes
 9 files changed, 226 insertions(+), 98 deletions(-)

diff --git a/.settings/language.settings.xml b/.settings/language.settings.xml
index 9a57648..7596dc4 100644
--- a/.settings/language.settings.xml
+++ b/.settings/language.settings.xml
@@ -5,7 +5,7 @@
 			<provider copy-of="extension" id="org.eclipse.cdt.ui.UserLanguageSettingsProvider"/>
 			<provider-reference id="org.eclipse.cdt.core.ReferencedProjectsLanguageSettingsProvider" ref="shared-provider"/>
 			<provider class="org.eclipse.cdt.managedbuilder.language.settings.providers.GCCBuildCommandParser" id="org.eclipse.cdt.managedbuilder.core.GCCBuildCommandParser" keep-relative-paths="false" name="CDT GCC Build Output Parser" parameter="(gcc)|([gc]\+\+)|(clang)" prefer-non-shared="true"/>
-			<provider class="org.eclipse.cdt.internal.build.crossgcc.CrossGCCBuiltinSpecsDetector" console="false" env-hash="-1600407861120441063" id="org.eclipse.cdt.build.crossgcc.CrossGCCBuiltinSpecsDetector" keep-relative-paths="false" name="CDT Cross GCC Built-in Compiler Settings" parameter="${COMMAND} ${FLAGS} -E -P -v -dD &quot;${INPUTS}&quot;" prefer-non-shared="true">
+			<provider class="org.eclipse.cdt.internal.build.crossgcc.CrossGCCBuiltinSpecsDetector" console="false" env-hash="1323490044467186284" id="org.eclipse.cdt.build.crossgcc.CrossGCCBuiltinSpecsDetector" keep-relative-paths="false" name="CDT Cross GCC Built-in Compiler Settings" parameter="${COMMAND} ${FLAGS} -E -P -v -dD &quot;${INPUTS}&quot;" prefer-non-shared="true">
 				<language-scope id="org.eclipse.cdt.core.gcc"/>
 				<language-scope id="org.eclipse.cdt.core.g++"/>
 			</provider>
diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index 205bbf8..def3bda 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -31,6 +31,8 @@
  #include <TmScore.h>
  #include <string>
  #include <GetArg.h>
+ #include <PdbSaver.h>
+
  
 
   using namespace Victor;
@@ -150,14 +152,31 @@
        /////////////////////////////////////////////////////////////////////
 
        TmScore tm("./Mobi/data/TMscore", outputFile, v);
-//
-//       Spacer sp;
-//       //for (unsigned int i=0; i<prot.size(); i++)
-//    	 //  for (unsigned int j=0; j<prot.size(); j++)
-//    		//   if (i!=j){
-//    			//   cout << outputFile + (itosDEF(i)) << outputFile + (itosDEF(j)) << endl;
-//    			//   tm.TmImpose(outputFile + (itosDEF(i)), outputFile + (itosDEF(j)));
-//       	   	   	   tm.TmImpose(outputFile + (itosDEF(0)), outputFile + (itosDEF(1)));
+
+
+       Protein* sp = new Protein();
+
+//for (unsigned int i=0; i<prot.size(); i++)
+//for (unsigned int j=0; j<prot.size(); j++)
+//if (i!=j) {
+//	cout << outputFile + (itosDEF(i)) << outputFile + (itosDEF(j)) << endl;
+
+       sp=tm.TmImpose(outputFile + (itosDEF(0)), outputFile + (itosDEF(1)));
+
+
+
+	if (sp != NULL) {
+
+		ofstream pippo;			//stream in output
+
+		unsigned int d = 0;
+		PdbSaver ps(pippo);
+		pippo.open((outputFile + "111").c_str());
+		ps.saveSpacer(*(sp->getSpacer(d)));
+		ps.endFile();
+		pippo.close();
+	}
+    			   //    			   tm.TmImpose(outputFile + (itosDEF(0)), outputFile + (itosDEF(1)));
 //    			   sp=*(tm.spacerFromTMOutput(tm.outputTmScore + "_atm"));
 //    			   prot.models.push_back(sp);
 //    			   cout << prot.models.size()<< endl;
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index 004d4d058088815f205b39d8009958e4b42b7290..49cac74297caf61ed5c6d334bfcfc8ad6feb7192 100644
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diff --git a/Mobi/Sources/ProteinModels.cc b/Mobi/Sources/ProteinModels.cc
index 2b44f24..db0baf7 100644
--- a/Mobi/Sources/ProteinModels.cc
+++ b/Mobi/Sources/ProteinModels.cc
@@ -32,7 +32,6 @@ void ProteinModels::load(PdbLoader& pl) {
 		pl.setModel(i);
 		pl.checkModel();
 		this->Protein::load(pl);
-		models.push_back(*(this->getSpacer(i-1)));
 	}
 }
 
@@ -86,7 +85,6 @@ void ProteinModels::loadSameModels(PdbLoader& pl){
  		    	 pl.setModel(i);		  //dal pdb loader scelgo il modello da caricare nella proteina
  		    	 pl.checkModel();
  		    	 this->Protein::load(pl);          // creates the Protein object
- 		    	 models.push_back(*(this->getSpacer(i-1)));
  		     }
  		 cout << "\n" << "Modelli caricati nella proteina" << endl;
 
@@ -132,6 +130,8 @@ void ProteinModels::save(ProteinModels& prot, string outputFile){
 	string outputFile_1;
 	PdbSaver ps(fout);
 
+	if (verbose)
+				cout << "Salvataggio dei modelli su file" << endl;
 	// Open the proper output stream (file or stdout)
 	for (unsigned int i = 0; i < prot.size(); i++) {
 
@@ -157,6 +157,10 @@ void ProteinModels::save(ProteinModels& prot, string outputFile){
 
 }
 
+void ProteinModels::addModels(Spacer& sp){
+	this->models.push_back(sp);
+
+}
 
 
 vector<Spacer> ProteinModels::getModels() {
diff --git a/Mobi/Sources/ProteinModels.h b/Mobi/Sources/ProteinModels.h
index 61f7023..da6b816 100644
--- a/Mobi/Sources/ProteinModels.h
+++ b/Mobi/Sources/ProteinModels.h
@@ -66,6 +66,7 @@ class ProteinModels : public Protein{
 	void save(ProteinModels& prot, string outputFile);
 
 	vector <Spacer> getModels();
+	void addModels(Spacer& sp);
 
 	// MODIFIERS:
 private:
diff --git a/Mobi/Sources/ProteinModels.o b/Mobi/Sources/ProteinModels.o
index dd020b0e778d539d469622507d660a8ed3fb4eb8..4b3d9a199c6f745cb8be611efdd4a4ebd128724e 100644
GIT binary patch
delta 12592
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diff --git a/Mobi/Sources/TmScore.cc b/Mobi/Sources/TmScore.cc
index 67de9dc..e35d0f6 100644
--- a/Mobi/Sources/TmScore.cc
+++ b/Mobi/Sources/TmScore.cc
@@ -21,15 +21,12 @@
  * @version 0.1
  */
 #include <TmScore.h>
-#include <PdbSaver.h>
 #include <unistd.h>
 #include <stdlib.h>
 #include <sys/types.h>
 #include <sys/wait.h>
 #include <Debug.h>
 #include <stdio.h>
-#include <string>
-#include <iostream>
 #include <errno.h>
 
 using namespace Victor::Mobi;
@@ -52,11 +49,10 @@ TmScore::TmScore(string _binary, string output, bool verbose) :
 TmScore::~TmScore(){}
 
 
-void TmScore::TmImpose(string modelFile, string nativeFile) {
 
-//	double score = -1;
-//	string score_tmp;
+Protein* TmScore::TmImpose(string modelFile, string nativeFile) {
 
+	Protein* prot = NULL;
 	//se i file sono accessibili in lettura
 	if (access(modelFile.c_str(), R_OK) == 0
 			&& access(nativeFile.c_str(), R_OK) == 0) {
@@ -64,7 +60,8 @@ void TmScore::TmImpose(string modelFile, string nativeFile) {
 		//se l'eseguibile ha i permessi di esecuzione
 		if (access(binary.c_str(), X_OK) == 0) {
 			pid_t pid;
-			if (this->verbose) cout << "Accesso consentito." <<endl;
+			if (this->verbose)
+				cout << "Accesso consentito." << endl;
 			//Pipeing TMS output
 			int pipefd[2];
 			pipe(pipefd);
@@ -74,23 +71,198 @@ void TmScore::TmImpose(string modelFile, string nativeFile) {
 				ERROR("Unable to fork child process", error);
 			} else {
 				if (pid == 0) {
-					close(pipefd[0]);												//close input pipe
-					if (dup2(pipefd[1], 1)<0)
-						ERROR("Unable to redirect output TMScore",error);			//stdout
-					if (dup2(pipefd[1], 2)<0)
-						ERROR("Unable to redirect error output TMScore",error);		//stderr
-					close(pipefd[1]);												//close output pipe
-					if (this->verbose) cout << "Eseguo TMScore" <<endl;
+					close(pipefd[0]);						//close input pipe
+					if (dup2(pipefd[1], 1) < 0)
+						ERROR("Unable to redirect output TMScore", error);//stdout
+					if (dup2(pipefd[1], 2) < 0)
+						ERROR("Unable to redirect error output TMScore", error);//stderr
+					close(pipefd[1]);						//close output pipe
+					if (this->verbose)
+						cout << "Eseguo TMScore" << endl;
 					if (execl(binary.c_str(), binary.c_str(), modelFile.c_str(),
-							nativeFile.c_str(), "-o", outputTmScore.c_str(), NULL))
+							nativeFile.c_str(), "-o", outputTmScore.c_str(),
+							NULL))
 						ERROR("Unable to exec", error);
 				} else {
 					//Read output from child pipe
+
+					//////////////////////////////////////////////////////////////////////////
 					int status;
+
+//					ifstream inFile(nativeFile.c_str());
+//					ofstream out ((outputTmScore+"11111").c_str());
+//					stringstream buffer;
+//					string line;
+//
+//					if (verbose) {
+//						cout << "Conversione file native file per renderlo leggibile" << endl;
+//					}
+//					bool flag=false;
+//
+//					while (inFile) {
+//						line = readLine(inFile);
+//						if (line.substr(0, 6) == "ATOM  " && !flag) {
+//							buffer << "MODEL        1" << endl;
+//							out << "MODEL        1" << endl;
+//							buffer << line << endl;
+//							out << line << endl;
+//							flag=true;
+//							} else if (line.substr(0, 6) == "ATOM  " && flag) {
+//							buffer << line << endl;
+//							out << line << endl;
+//						} else if (line.substr(0, 3) == "TER") {
+//							buffer << line << endl;
+//							buffer << "ENDMDL" << endl;
+//							out << line << endl;
+//							out << "ENDMDL" << endl;
+//
+//							break;
+//						}
+//					}
+//					if (verbose) {
+//						cout << "Fine lettura file nativo" << endl;
+//					}
+//
+//					buffer.clear();
+//					out.close();
+//
+//					cout << "AAAAAAAAAAAAAAAAAAAAAAAA" << endl;
+//
+//					PdbLoader loader (buffer);
+//
+//				    if (!verbose)
+//				    	loader.setNoVerbose();
+//
+//				    loader.setModel(1);
+//				    cout << "BBBBBBBBBBBBBBBBBBBBBBBBBB" << endl;
+//				    loader.checkModel();
+//				    cout << "CCCCCCCCCCCCCCCCCCCCCCCCCCCCc" << endl;
+//					Protein temp;
+//					temp.load(loader);
+//					unsigned int d=0;
+//					sp[0]=*(temp.getSpacer(d));
+
 					wait(&status);
 
 					remove(outputTmScore.c_str());
-//					char buffer[2048];
+
+					if (access((outputTmScore + "_atm").c_str(), R_OK) != 0)
+						ERROR("Cannot read pdb file to fix", exception);
+
+					ifstream inFile((outputTmScore + "_atm").c_str());
+					stringstream buffer;
+					string line;
+
+					if (verbose) {
+						cout
+								<< "Conversione file rototraslato per renderlo leggibile"
+								<< endl;
+					}
+					while (inFile) {
+						line = readLine(inFile);
+						if (line.substr(0, 16) == "REMARK  TM-score") {
+							buffer << line << endl;
+							buffer << "MODEL        1" << endl;
+
+						} else if (line.substr(0, 6) == "ATOM  ") {
+							buffer << line << endl;
+						} else if (line.substr(0, 3) == "TER") {
+							buffer << line << endl;
+							buffer << "ENDMDL" << endl;
+							break;
+						}
+					}
+					if (verbose) {
+						cout << "Fine lettura file rototraslato" << endl;
+					}
+
+					buffer.clear();
+
+					//Load from memory buffer
+					PdbLoader pl(buffer);
+
+					if (!verbose)
+						pl.setNoVerbose();
+
+					pl.setModel(1);
+					pl.checkModel();
+
+					prot = new Protein();
+
+					pl.loadProtein(*prot);
+
+
+
+				}
+			}
+		} else
+			ERROR("No access to " + binary + "  binary!", exception);
+	} else
+		ERROR("No access to pdb files " + modelFile + " or " + nativeFile,
+				exception);
+	return prot;
+}
+
+//void TmScore::TMImpose(ProteinModels& prot, unsigned int model, unsigned int native, ProteinModels** imposedModel) {
+//
+//	stringstream sstm;
+//	sstm << "TMScore between models " << model << " and " << native;
+//	DEBUG_MSG(sstm.str());
+//
+//	//Save spacers in pdb files
+//	std::ofstream fout;
+//	PdbSaver ps(fout);
+//	fout.open((tmp + TMTMP_IN1).c_str());
+//	ps.saveSpacer(prot.getModel(model));
+//	ps.endFile();
+//	fout.close();
+//	fout.open((tmp + TMTMP_IN2).c_str());
+//	ps.saveSpacer(prot.getModel(native));
+//	ps.endFile();
+//	fout.close();
+//
+//	//Call TMScore binary
+//	return TMImpose((tmp + TMTMP_IN1), (tmp + TMTMP_IN2), imposedModel);
+//}
+//
+//Spacer* TmScore::spacerFromTMOutput(string pdbFile) {
+//	if (access(pdbFile.c_str(), R_OK) != 0)
+//		ERROR("Cannot read pdb file to fix", exception);
+//
+//	ifstream inFile(pdbFile.c_str());
+//	stringstream buffer;
+//	string line;
+//	while (inFile) {
+//		line = readLine(inFile);
+//		if (line.substr(0, 16) == "REMARK  TM-score") {
+//			buffer << line << endl;
+//			if (line.substr(6, 8) == "TM-score")
+//				buffer << "MODEL        1" << endl;
+//		} else if (line.substr(0, 6) == "ATOM  ") {
+//			buffer << line << endl;
+//		} else if (line.substr(0, 3) == "TER") {
+//			buffer << line << endl;
+//			buffer << "ENDMDL" << endl;
+//			break;
+//		}
+//	}
+//	buffer.clear();
+//	buffer.seekg(0);
+//	//Load from memory buffer
+//	PdbLoader pl(buffer);
+//	if (!verbose)
+//		pl.setNoVerbose();
+//	//Load and return protein object
+//	//*imposedModel = new ProteinModels();
+//	pl.setModel(1);
+//	pl.checkModel();
+//	Protein prot;
+//	pl.loadProtein(prot);
+//	unsigned int d=0;
+//	return prot.getSpacer(d);
+//}
+
+//char buffer[2048];
 //					bool flag=true;
 //					//la read implementa un sync al suo interno, questo mi permette di aspettare l'output del figlio senza pensieri
 //					while(flag){
@@ -125,72 +297,3 @@ void TmScore::TmImpose(string modelFile, string nativeFile) {
 ////						else if (this->verbose) cout << "valore dello score: " << score <<endl;
 //				}
 //					if (this->verbose) cout << "valore dello score: " << score <<endl;
-				}
-			}
-		} else
-			ERROR("No access to " + binary + "  binary!", exception);
-	} else
-		ERROR("No access to pdb files " + modelFile + " or " + nativeFile, exception);
-
-	//return spacerFromTMOutput(outputTmScore + TMTMP_OUT + "_atm", imposedModel);
-}
-
-//void TmScore::TMImpose(ProteinModels& prot, unsigned int model, unsigned int native, ProteinModels** imposedModel) {
-//
-//	stringstream sstm;
-//	sstm << "TMScore between models " << model << " and " << native;
-//	DEBUG_MSG(sstm.str());
-//
-//	//Save spacers in pdb files
-//	std::ofstream fout;
-//	PdbSaver ps(fout);
-//	fout.open((tmp + TMTMP_IN1).c_str());
-//	ps.saveSpacer(prot.getModel(model));
-//	ps.endFile();
-//	fout.close();
-//	fout.open((tmp + TMTMP_IN2).c_str());
-//	ps.saveSpacer(prot.getModel(native));
-//	ps.endFile();
-//	fout.close();
-//
-//	//Call TMScore binary
-//	return TMImpose((tmp + TMTMP_IN1), (tmp + TMTMP_IN2), imposedModel);
-//}
-//
-Spacer* TmScore::spacerFromTMOutput(string pdbFile) {
-	if (access(pdbFile.c_str(), R_OK) != 0)
-		ERROR("Cannot read pdb file to fix", exception);
-
-	ifstream inFile(pdbFile.c_str());
-	stringstream buffer;
-	string line;
-	while (inFile) {
-		line = readLine(inFile);
-		if (line.substr(0, 16) == "REMARK  TM-score") {
-			buffer << line << endl;
-			if (line.substr(6, 8) == "TM-score")
-				buffer << "MODEL        1" << endl;
-		} else if (line.substr(0, 6) == "ATOM  ") {
-			buffer << line << endl;
-		} else if (line.substr(0, 3) == "TER") {
-			buffer << line << endl;
-			buffer << "ENDMDL" << endl;
-			break;
-		}
-	}
-	buffer.clear();
-	buffer.seekg(0);
-	//Load from memory buffer
-	PdbLoader pl(buffer);
-	if (!verbose)
-		pl.setNoVerbose();
-	//Load and return protein object
-	//*imposedModel = new ProteinModels();
-	pl.setModel(1);
-	pl.checkModel();
-	Protein prot;
-	pl.loadProtein(prot);
-	unsigned int d=0;
-	return prot.getSpacer(d);
-}
-
diff --git a/Mobi/Sources/TmScore.h b/Mobi/Sources/TmScore.h
index ee370f3..e52bd0c 100644
--- a/Mobi/Sources/TmScore.h
+++ b/Mobi/Sources/TmScore.h
@@ -60,7 +60,8 @@ class TmScore {
 	 * @param nativeFile (string) full path to model#2 file
 	 * @param imposedModel(ProteinModel**) double pointer of type ProteinModel, as output
 	 */
-	void TmImpose(string modelFile, string nativeFile);//, ProteinModels** imposedModel);
+
+	Protein* TmImpose(string modelFile, string nativeFile);//, ProteinModels** imposedModel);
 	/**
 	 * @brief Given a ProteinModel call TMScore binary to superimpose two models contained in it.
 	 * The superimposed (rotated/traslated) model is then loaded in a ProteinModel using the double pointer provided.
@@ -77,7 +78,7 @@ class TmScore {
 //	 * @param pdbFile (string) full path to TMScore output
 //	 * @param imposedModel (ProteinModel**) double pointer of type PRoteinModel, as output
 //	 */
-	Spacer* spacerFromTMOutput(string pdbFile);
+	//Spacer* spacerFromTMOutput(string pdbFile);
 	/**
 //	 * Set verbosity.
 //	 * Verbosity is applied on PdbLoader instances.
diff --git a/Mobi/Sources/TmScore.o b/Mobi/Sources/TmScore.o
index 551bca17199769d27dfd7aae6ada1fd306bfe3ab..112981ece18e9992c749b2be36e0b2c4b10a05d2 100644
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KwlkvHt^WaW_hU)`


From edac1c2db79a66488dabc66d5093a7a29c5c2b41 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Sat, 11 Jul 2015 16:33:23 +0200
Subject: [PATCH 10/61] inizio estrazione carboni alfa dai modelli

---
 .settings/language.settings.xml |   2 +-
 Mobi/APPS/mobi.cc               | 230 ++++++++++++++------------------
 Mobi/APPS/mobi.o                | Bin 29416 -> 26248 bytes
 Mobi/Sources/ProteinModels.cc   |  77 ++++++-----
 Mobi/Sources/ProteinModels.h    |   6 +-
 Mobi/Sources/ProteinModels.o    | Bin 49968 -> 56640 bytes
 Mobi/Sources/TmScore.cc         |   2 -
 Mobi/Sources/TmScore.h          |   2 +-
 Mobi/Sources/TmScore.o          | Bin 34640 -> 34112 bytes
 9 files changed, 148 insertions(+), 171 deletions(-)

diff --git a/.settings/language.settings.xml b/.settings/language.settings.xml
index 7596dc4..9a57648 100644
--- a/.settings/language.settings.xml
+++ b/.settings/language.settings.xml
@@ -5,7 +5,7 @@
 			<provider copy-of="extension" id="org.eclipse.cdt.ui.UserLanguageSettingsProvider"/>
 			<provider-reference id="org.eclipse.cdt.core.ReferencedProjectsLanguageSettingsProvider" ref="shared-provider"/>
 			<provider class="org.eclipse.cdt.managedbuilder.language.settings.providers.GCCBuildCommandParser" id="org.eclipse.cdt.managedbuilder.core.GCCBuildCommandParser" keep-relative-paths="false" name="CDT GCC Build Output Parser" parameter="(gcc)|([gc]\+\+)|(clang)" prefer-non-shared="true"/>
-			<provider class="org.eclipse.cdt.internal.build.crossgcc.CrossGCCBuiltinSpecsDetector" console="false" env-hash="1323490044467186284" id="org.eclipse.cdt.build.crossgcc.CrossGCCBuiltinSpecsDetector" keep-relative-paths="false" name="CDT Cross GCC Built-in Compiler Settings" parameter="${COMMAND} ${FLAGS} -E -P -v -dD &quot;${INPUTS}&quot;" prefer-non-shared="true">
+			<provider class="org.eclipse.cdt.internal.build.crossgcc.CrossGCCBuiltinSpecsDetector" console="false" env-hash="-1600407861120441063" id="org.eclipse.cdt.build.crossgcc.CrossGCCBuiltinSpecsDetector" keep-relative-paths="false" name="CDT Cross GCC Built-in Compiler Settings" parameter="${COMMAND} ${FLAGS} -E -P -v -dD &quot;${INPUTS}&quot;" prefer-non-shared="true">
 				<language-scope id="org.eclipse.cdt.core.gcc"/>
 				<language-scope id="org.eclipse.cdt.core.g++"/>
 			</provider>
diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index def3bda..e996f00 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -1,17 +1,17 @@
 /*  This file is part of Victor.
 
-    Victor is free software: you can redistribute it and/or modify
-    it under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    Victor is distributed in the hope that it will be useful,
-    but WITHOUT ANY WARRANTY; without even the implied warranty of
-    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
-    GNU General Public License for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with Victor.  If not, see <http://www.gnu.org/licenses/>.
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ GNU General Public License for more details.
+
+ You should have received a copy of the GNU General Public License
+ along with Victor.  If not, see <http://www.gnu.org/licenses/>.
  */
 
 // --*- C++ -*------x-----------------------------------------------------------
@@ -26,96 +26,86 @@
 //
 // -----------------x-----------------------------------------------------------
 
+#include <ProteinModels.h>
+#include <TmScore.h>
+#include <string>
+#include <GetArg.h>
+#include <PdbSaver.h>
 
- #include <ProteinModels.h>
- #include <TmScore.h>
- #include <string>
- #include <GetArg.h>
- #include <PdbSaver.h>
+using namespace Victor;
+using namespace Victor::Biopool;
+using namespace Victor::Mobi;
 
- 
+void sShowHelp() {
 
-  using namespace Victor;
-  using namespace Victor::Biopool;
-  using namespace Victor::Mobi;
+	cout << "NAME" << endl;
+	cout << "\t mobi" << endl;
 
+	cout << "SYNOPSIS" << endl;
+	cout << "\t mobi [FILE]... [OPTION]..." << endl;
 
+	cout << "DESCRIPTION \n" << endl;
+	cout
+			<< "\t Mobi è un software che riceve in input un file .pdb creato con tecnologia NMR."
+			<< endl;
+	cout
+			<< "\t Questo file contiene molti modelli della stessa proteina, li confronta e restituisce in un file di output "
+			<< endl;
+	cout << "\t le parti mobili della proteina." << endl;
 
- void sShowHelp(){
+	cout << "\n" << endl;
 
-	 cout << "NAME" << endl;
-	 cout << "\t mobi" << endl;
+	cout << "\t -v  verbose output. \n" << endl;
+	cout << "\t -o [FILE OUTPUT]  Output to file (default stdout)\n" << endl;
+	cout << "\t -h  help" << endl;
 
-	 cout << "SYNOPSIS" << endl;
-	 cout << "\t mobi [FILE]... [OPTION]..." << endl;
+	exit(EXIT_SUCCESS);
 
-	 cout << "DESCRIPTION \n" << endl;
-	 cout << "\t Mobi è un software che riceve in input un file .pdb creato con tecnologia NMR." << endl;
-	 cout << "\t Questo file contiene molti modelli della stessa proteina, li confronta e restituisce in un file di output " << endl;
-	 cout << "\t le parti mobili della proteina." << endl;
+}
 
-	 cout << "\n" <<endl;
+int main(int argc, char* argv[]) {
 
-	 cout << "\t -v  verbose output. \n" <<endl;
-	 cout << "\t -o [FILE OUTPUT]  Output to file (default stdout)\n" <<endl;
-	 cout << "\t -h  help" << endl;
-
-	 exit (EXIT_SUCCESS);
-
-
- }
-
-
-
-
-  int main( int argc, char* argv[] ) {
-
-	  bool v;
-	  string inputFile, outputFile, outputFile_1;
-	  string input;
-
-
-
-	  //guide with -h option
-	  if (getArg("h", argc, argv)) {
-	          sShowHelp();
-	          return 1;
-	      }
-	 if (argc == 1){
-		 	 sShowHelp();
-	 		 return 1;
-	 }
+	bool v;
+	string inputFile, outputFile, outputFile_1;
+	string input;
 
+	//guide with -h option
+	if (getArg("h", argc, argv)) {
+		sShowHelp();
+		return 1;
+	}
+	if (argc == 1) {
+		sShowHelp();
+		return 1;
+	}
 
 	cout << "Welcome to Mobi!" << endl;
 
-	 //loan pdb file from input
-	 inputFile = argv[1];
-
-     ifstream inFile(inputFile.c_str());
-
-     if (!inFile)
-       ERROR("Error opening input .pdb file.", exception);
+	//loan pdb file from input
+	inputFile = argv[1];
 
+	ifstream inFile(inputFile.c_str());
 
-     getArg("o", outputFile, argc, argv, "!");
-     v = getArg("v", argc, argv);
+	if (!inFile)
+		ERROR("Error opening input .pdb file.", exception);
 
+	getArg("o", outputFile, argc, argv, "!");
+	v = getArg("v", argc, argv);
 
-     PdbLoader pl(inFile);    // creates the PdbLoader object
+	PdbLoader pl(inFile);    // creates the PdbLoader object
 
-     ProteinModels prot;
-    // Protein prot;
+	ProteinModels prot;
+	// Protein prot;
 
-     if (v){
-    	 pl.setVerbose();
-    	 prot.setVerbose();
-     }else
-    	 pl.setNoVerbose();
+	if (v) {
+		pl.setVerbose();
+		prot.setVerbose();
+	} else
+		pl.setNoVerbose();
 
-     //method that ask how much models load in protein
+	//method that ask how much models load in protein
 
-     do {
+	do {
 		cout << "Questo file pdb contiene ";
 		cout << pl.getMaxModels() << endl;
 
@@ -123,64 +113,48 @@
 		getline(cin, input);
 		//		cin >> input;
 
-	} while ((strcmp(input.c_str(), "y"))!=0 && (strcmp(input.c_str(), "n"))!=0);//(!cin.fail() && input != 'y' && input != 'n');
-
-
-     if ((strcmp(input.c_str(), "y"))==0){
-    	// cin.ignore();
-//    	 cout << "1" << endl;
-    	 prot.load(pl);
-//    	 cout << "2" << endl;
-     }
-     else{
-    	 //cin.ignore();
-//    	 cout << "1111" << endl;
-    	 prot.loadSameModels(pl);
-//    	 cout << "22" << endl;
-     }
-
-     if (outputFile != "!"){
-    	outputFile="./Mobi/data/" + outputFile;
-  	  }	else outputFile="./Mobi/data/stdout";
-
-
-     // Mi salvo i vari modelli
-       prot.save(prot, outputFile);
-
+	} while ((strcmp(input.c_str(), "y")) != 0
+			&& (strcmp(input.c_str(), "n")) != 0); //(!cin.fail() && input != 'y' && input != 'n');
 
+	if ((strcmp(input.c_str(), "y")) == 0) {
+		prot.load(pl);
+	} else {
+		prot.loadSameModels(pl);
+	}
 
-       /////////////////////////////////////////////////////////////////////
+	if (outputFile != "!") {
+		outputFile = "./Mobi/data/" + outputFile;
+	} else
+		outputFile = "./Mobi/data/stdout";
 
-       TmScore tm("./Mobi/data/TMscore", outputFile, v);
+	// Mi salvo i vari modelli
+	prot.save(outputFile);
 
+	/////////////////////////////////////////////////////////////////////
 
-       Protein* sp = new Protein();
+	unsigned int d = 0;
 
-//for (unsigned int i=0; i<prot.size(); i++)
-//for (unsigned int j=0; j<prot.size(); j++)
-//if (i!=j) {
-//	cout << outputFile + (itosDEF(i)) << outputFile + (itosDEF(j)) << endl;
+	TmScore tm("./Mobi/data/TMscore", outputFile, v);
 
-       sp=tm.TmImpose(outputFile + (itosDEF(0)), outputFile + (itosDEF(1)));
+	Protein* traslata = new Protein();
 
+	for (unsigned int i = 0; i < prot.size(); i++)
+		for (unsigned int j = 0; j < prot.size(); j++)
+			if (i != j) {
+				if (v)
+				cout << outputFile + (itosDEF(i)) << outputFile + (itosDEF(j))<< endl;
+				traslata = tm.TmImpose(outputFile + (itosDEF(i)),outputFile + (itosDEF(j)));
+				if (traslata != NULL)
+					prot.addModels(*(traslata->getSpacer(d)));
+				else
+					ERROR("Errore nella creazione della proteina traslata",
+							exeption);
+				prot.addModels(*(prot.getSpacer(j)));
 
+			}
 
-	if (sp != NULL) {
+	prot.printModels(outputFile);
 
-		ofstream pippo;			//stream in output
 
-		unsigned int d = 0;
-		PdbSaver ps(pippo);
-		pippo.open((outputFile + "111").c_str());
-		ps.saveSpacer(*(sp->getSpacer(d)));
-		ps.endFile();
-		pippo.close();
-	}
-    			   //    			   tm.TmImpose(outputFile + (itosDEF(0)), outputFile + (itosDEF(1)));
-//    			   sp=*(tm.spacerFromTMOutput(tm.outputTmScore + "_atm"));
-//    			   prot.models.push_back(sp);
-//    			   cout << prot.models.size()<< endl;
-//    		//}
-
-       return 0;
-  }
+	return 0;
+}
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index 49cac74297caf61ed5c6d334bfcfc8ad6feb7192..e3014f9dd0438fd0b1d2e51f61e0e9a485f84e67 100644
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diff --git a/Mobi/Sources/ProteinModels.cc b/Mobi/Sources/ProteinModels.cc
index db0baf7..1cd3ad6 100644
--- a/Mobi/Sources/ProteinModels.cc
+++ b/Mobi/Sources/ProteinModels.cc
@@ -33,6 +33,9 @@ void ProteinModels::load(PdbLoader& pl) {
 		pl.checkModel();
 		this->Protein::load(pl);
 	}
+	if (verbose)
+	 		 cout << "\n" << "Modelli caricati nella proteina" << endl;
+
 }
 
 
@@ -86,45 +89,47 @@ void ProteinModels::loadSameModels(PdbLoader& pl){
  		    	 pl.checkModel();
  		    	 this->Protein::load(pl);          // creates the Protein object
  		     }
+ 		 if (verbose)
  		 cout << "\n" << "Modelli caricati nella proteina" << endl;
 
  }
 
 /*procedura che stampa su file il vettore di spacer*/
-//void ProteinModels::save(ProteinModels& prot, string outputFile){
-//
-//	ofstream fout;			//stream in output
-//	string outputFile_1;
-//	PdbSaver ps(fout);
-//
-//	unsigned int i = 0;
-//
-//	vector<Spacer>::iterator walk = models.begin();
-//	while (walk != models.end()) {
-//
-//		outputFile_1 = outputFile + (itosDEF(i)) + PDB;
-//		if (verbose)
-//			cout << outputFile_1 << endl;
-//
-//		fout.open(outputFile_1.c_str());
-//		if (!fout) {
-//			ERROR("Could not open file for writing.", exception);
-//		} else {
-//
-//			ps.saveSpacer(*walk);
-//			walk++;
-//			i++;
-//			ps.endFile();
-//			fout.close();
-//
-//			if (verbose)
-//				cout << "file chiuso" << endl;
-//		}
-//	}
-//
-//}
-
-void ProteinModels::save(ProteinModels& prot, string outputFile){
+void ProteinModels::printModels(string outputFile){
+
+	ofstream fout;			//stream in output
+	string outputFile_1;
+	PdbSaver ps(fout);
+	const string VECTOR = "Vector";
+
+	unsigned int i = 0;
+
+	vector<Spacer>::iterator walk = models.begin();
+	while (walk != models.end()) {
+
+		outputFile_1 = outputFile + VECTOR + (itosDEF(i)) + PDB;
+		if (verbose)
+			cout << outputFile_1 << endl;
+
+		fout.open(outputFile_1.c_str());
+		if (!fout) {
+			ERROR("Could not open file for writing.", exception);
+		} else {
+
+			ps.saveSpacer(*walk);
+			walk++;
+			i++;
+			ps.endFile();
+			fout.close();
+
+			if (verbose)
+				cout << "file chiuso" << endl;
+		}
+	}
+
+}
+
+void ProteinModels::save(string outputFile){
 
 	ofstream fout;			//stream in output
 	string outputFile_1;
@@ -133,7 +138,7 @@ void ProteinModels::save(ProteinModels& prot, string outputFile){
 	if (verbose)
 				cout << "Salvataggio dei modelli su file" << endl;
 	// Open the proper output stream (file or stdout)
-	for (unsigned int i = 0; i < prot.size(); i++) {
+	for (unsigned int i = 0; i < this->size(); i++) {
 
 
 		outputFile_1 = outputFile + (itosDEF(i)) + PDB;
@@ -146,7 +151,7 @@ void ProteinModels::save(ProteinModels& prot, string outputFile){
 		if (!fout) {
 			ERROR("Could not open file for writing.", exception);
 		} else
-			ps.saveSpacer(*(prot.getSpacer(i)));
+			ps.saveSpacer(*(this->getSpacer(i)));
 
 		ps.endFile();
 		fout.close();
diff --git a/Mobi/Sources/ProteinModels.h b/Mobi/Sources/ProteinModels.h
index da6b816..fe524cc 100644
--- a/Mobi/Sources/ProteinModels.h
+++ b/Mobi/Sources/ProteinModels.h
@@ -55,19 +55,19 @@ class ProteinModels : public Protein{
 
 	void loadSameModels(PdbLoader& pl);
 
-	//Spacer& getModel(unsigned int _model);
-
 	// MODIFIERS:
 
 	void setVerbose() {
 		verbose = true;
 	}
 
-	void save(ProteinModels& prot, string outputFile);
+	void save(string outputFile);
 
 	vector <Spacer> getModels();
 	void addModels(Spacer& sp);
 
+	void printModels(string outputFile);
+
 	// MODIFIERS:
 private:
 	bool verbose;
diff --git a/Mobi/Sources/ProteinModels.o b/Mobi/Sources/ProteinModels.o
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z9%bXj=LPR_$l>#X-*U*|^<+5>YAk0bHHa$0Suc<EmkIjQKre@D1%3vD5Z~yK^Cx<?
MOVFck{&48O0U*$M`~Uy|

diff --git a/Mobi/Sources/TmScore.cc b/Mobi/Sources/TmScore.cc
index e35d0f6..e340c1e 100644
--- a/Mobi/Sources/TmScore.cc
+++ b/Mobi/Sources/TmScore.cc
@@ -33,8 +33,6 @@ using namespace Victor::Mobi;
 using namespace Victor::Biopool;
 using namespace std;
 
-const string TMTMP_IN1 = "tmin1.pdb";
-const string TMTMP_IN2 = "tmin2.pdb";
 const string TMTMP_OUT = "TMScore.pdb";
 
 
diff --git a/Mobi/Sources/TmScore.h b/Mobi/Sources/TmScore.h
index e52bd0c..f200252 100644
--- a/Mobi/Sources/TmScore.h
+++ b/Mobi/Sources/TmScore.h
@@ -92,7 +92,7 @@ class TmScore {
 	 */
 	~TmScore();
 
-public:
+private:
 	string binary;
 	const string outputTmScore;
 	bool verbose;
diff --git a/Mobi/Sources/TmScore.o b/Mobi/Sources/TmScore.o
index 112981ece18e9992c749b2be36e0b2c4b10a05d2..79810a48aa012eb3f2d23a0a0b9eb22c4df2eee1 100644
GIT binary patch
delta 714
zcmXYtT}V_x6vt;~vs~RwqxR#1;9e^Xtac;4uIt`w;0JyeuAp}dHIsbtYx~07UA<k1
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twMNb+Erd6!4U1Y$R<|@8erYz^fPURiA7V~-;InSS6WvDVj1^tC{0GP6<DLKj

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Ii+IHF7r@90Hvj+t


From 41386b4eae428673656b110c765f866c1f6bee60 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Sat, 11 Jul 2015 17:27:18 +0200
Subject: [PATCH 11/61] creata classe scale distance

---
 Mobi/Sources/Makefile         |   4 ++--
 Mobi/Sources/ProteinModels.cc |   1 +
 Mobi/Sources/ProteinModels.h  |   3 +--
 Mobi/Sources/ProteinModels.o  | Bin 56640 -> 56640 bytes
 Mobi/Sources/TmScore.h        |   2 --
 5 files changed, 4 insertions(+), 6 deletions(-)

diff --git a/Mobi/Sources/Makefile b/Mobi/Sources/Makefile
index 1cd054b..beaa548 100644
--- a/Mobi/Sources/Makefile
+++ b/Mobi/Sources/Makefile
@@ -27,10 +27,10 @@ INC_PATH = -I. -I../../tools -I../../Biopool/Sources
 #
  
 
-SOURCES = 	 ProteinModels.cc	TmScore.cc
+SOURCES = 	 ProteinModels.cc	TmScore.cc	ScaleDistance.cc
 
 
-OBJECTS = 	 ProteinModels.o	TmScore.o
+OBJECTS = 	 ProteinModels.o	TmScore.o	ScaleDistance.o
 
 
 TARGETS =   
diff --git a/Mobi/Sources/ProteinModels.cc b/Mobi/Sources/ProteinModels.cc
index 1cd3ad6..28f6f33 100644
--- a/Mobi/Sources/ProteinModels.cc
+++ b/Mobi/Sources/ProteinModels.cc
@@ -3,6 +3,7 @@
 #include <String2Number.h>
 #include <PdbSaver.h>
 
+
 using namespace Victor;
 using namespace Victor::Mobi;
 using namespace Victor::Biopool;
diff --git a/Mobi/Sources/ProteinModels.h b/Mobi/Sources/ProteinModels.h
index fe524cc..238a76c 100644
--- a/Mobi/Sources/ProteinModels.h
+++ b/Mobi/Sources/ProteinModels.h
@@ -21,7 +21,6 @@ along with Victor. If not, see <http://www.gnu.org/licenses/>.
 
 #include<Protein.h>
 #include<PdbLoader.h>
-#include<AtomCode.h>
 
 
 using namespace Victor::Biopool;
@@ -37,7 +36,7 @@ class ProteinModels : public Protein{
 public:
 
 	 // CONSTRUCTORS/DESTRUCTOR:
-	ProteinModels()	;
+	ProteinModels();
 
 	ProteinModels(const Protein& _orig);
 
diff --git a/Mobi/Sources/ProteinModels.o b/Mobi/Sources/ProteinModels.o
index 390cc79bd7b1466e5a30f1fe89dcdc9d39bd368f..aac92640b809e4501839d4733778339963ff1a0c 100644
GIT binary patch
delta 37
ncmX@Gi}}DV<_%o@ETs$#43j6Y$Zyu=zs<=q6UNh)6g>g};U)_S

delta 37
ncmX@Gi}}DV<_%o@EF}yK43j6Y$Zyu=zs<=q1IE*q6g>g};Qk8-

diff --git a/Mobi/Sources/TmScore.h b/Mobi/Sources/TmScore.h
index f200252..122ac84 100644
--- a/Mobi/Sources/TmScore.h
+++ b/Mobi/Sources/TmScore.h
@@ -30,8 +30,6 @@ using namespace Victor::Mobi;
 using namespace std;
 
 
-extern const string TMTMP_IN1;
-extern const string TMTMP_IN2;
 extern const string TMTMP_OUT;
 
 

From b8a6e65366564ffc894dfc9ea77c453b885fb0f4 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Sat, 11 Jul 2015 17:27:56 +0200
Subject: [PATCH 12/61] creata classe ScaleDistance

---
 Mobi/Sources/ScaleDistance.cc |  20 +++++++++++++
 Mobi/Sources/ScaleDistance.h  |  51 ++++++++++++++++++++++++++++++++++
 Mobi/Sources/ScaleDistance.o  | Bin 0 -> 4056 bytes
 3 files changed, 71 insertions(+)
 create mode 100644 Mobi/Sources/ScaleDistance.cc
 create mode 100644 Mobi/Sources/ScaleDistance.h
 create mode 100644 Mobi/Sources/ScaleDistance.o

diff --git a/Mobi/Sources/ScaleDistance.cc b/Mobi/Sources/ScaleDistance.cc
new file mode 100644
index 0000000..6183ea9
--- /dev/null
+++ b/Mobi/Sources/ScaleDistance.cc
@@ -0,0 +1,20 @@
+/*
+ * ScaleDistance.cc
+ *
+ *  Created on: 11 lug 2015
+ *      Author: riccardo
+ */
+#include <ScaleDistance.h>
+
+using namespace Victor;
+using namespace Victor::Mobi;
+using namespace Victor::Biopool;
+
+ScaleDistance::ScaleDistance(const ProteinModels& _orig, bool verbose) :
+		verbose(verbose) {
+
+}
+
+ScaleDistance::~ScaleDistance() {
+}
+
diff --git a/Mobi/Sources/ScaleDistance.h b/Mobi/Sources/ScaleDistance.h
new file mode 100644
index 0000000..f87149c
--- /dev/null
+++ b/Mobi/Sources/ScaleDistance.h
@@ -0,0 +1,51 @@
+/* This file is part of Victor
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+ You should have received a copy of the GNU General Public License
+ along with Victor. If not, see <http://www.gnu.org/licenses/>.
+ */
+
+/**
+ * @file ScaleDistance.h
+ * @author Riccardo Zanella
+ * @date 11 lug 2015
+ * @version 0.1
+ */
+
+#ifndef MOBI_SOURCES_SCALEDISTANCE_H_
+#define MOBI_SOURCES_SCALEDISTANCE_H_
+
+#include<ProteinModels.h>
+#include<AtomCode.h>
+
+using namespace Victor::Biopool;
+
+namespace Victor {
+namespace Mobi {
+/**
+ * @brief Extends Protein class with functionalities related to manipulation of NMR model and models comparations.
+ * Scale Distance metric is provided.
+ */
+class ScaleDistance {
+
+public:
+
+	// CONSTRUCTORS/DESTRUCTOR:
+	ScaleDistance(const ProteinModels& _orig, bool _verbose = false);
+
+	virtual ~ScaleDistance();
+
+private:
+	bool verbose;
+
+};
+}
+}
+
+#endif /* MOBI_SOURCES_SCALEDISTANCE_H_ */
diff --git a/Mobi/Sources/ScaleDistance.o b/Mobi/Sources/ScaleDistance.o
new file mode 100644
index 0000000000000000000000000000000000000000..4314b9fc2ec3fb87cd98d78cce2a467d14197769
GIT binary patch
literal 4056
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g&iw&?0)Qr8kH`}bQ$;h3v)`J9`&xd_z|Fe;1#|F=mjD0&

literal 0
HcmV?d00001


From 0c70766a398d2fddc276e751558f3948d82a9f51 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Mon, 13 Jul 2015 20:28:27 +0200
Subject: [PATCH 13/61] Creata la funzione per estrapolare i carboni alfa dagli
 aminoacidi

---
 Mobi/APPS/mobi.cc             |  17 +++++++++---
 Mobi/APPS/mobi.o              | Bin 26248 -> 27040 bytes
 Mobi/Sources/ProteinModels.cc |   6 ++--
 Mobi/Sources/ProteinModels.h  |   4 ++-
 Mobi/Sources/ProteinModels.o  | Bin 56640 -> 56536 bytes
 Mobi/Sources/ScaleDistance.cc |  51 ++++++++++++++++++++++++++++++++--
 Mobi/Sources/ScaleDistance.h  |   9 ++++++
 Mobi/Sources/ScaleDistance.o  | Bin 4056 -> 20304 bytes
 Mobi/Sources/TmScore.cc       |   3 ++
 Mobi/Sources/TmScore.o        | Bin 34112 -> 34576 bytes
 10 files changed, 81 insertions(+), 9 deletions(-)

diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index e996f00..c2d970f 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -27,6 +27,7 @@
 // -----------------x-----------------------------------------------------------
 
 #include <ProteinModels.h>
+#include <ScaleDistance.h>
 #include <TmScore.h>
 #include <string>
 #include <GetArg.h>
@@ -142,19 +143,27 @@ int main(int argc, char* argv[]) {
 		for (unsigned int j = 0; j < prot.size(); j++)
 			if (i != j) {
 				if (v)
-				cout << outputFile + (itosDEF(i)) << outputFile + (itosDEF(j))<< endl;
-				traslata = tm.TmImpose(outputFile + (itosDEF(i)),outputFile + (itosDEF(j)));
-				if (traslata != NULL)
+					cout << "\n Lettura proteine da traslare:\n "
+							<< outputFile + (itosDEF(i))
+							<< outputFile + (itosDEF(j)) << endl;
+				traslata = tm.TmImpose(outputFile + (itosDEF(i)),
+						outputFile + (itosDEF(j)));
+				if (traslata != NULL) {
+
 					prot.addModels(*(traslata->getSpacer(d)));
-				else
+				} else
 					ERROR("Errore nella creazione della proteina traslata",
 							exeption);
+				if (v)
+					cout << "\n ###Caricamento proteina modello### " << endl;
+
 				prot.addModels(*(prot.getSpacer(j)));
 
 			}
 
 	prot.printModels(outputFile);
 
+	ScaleDistance prova(prot, v);
 
 	return 0;
 }
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index e3014f9dd0438fd0b1d2e51f61e0e9a485f84e67..920e5c589f2e99c49a88bf5f17db89adf0f234f5 100644
GIT binary patch
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diff --git a/Mobi/Sources/ProteinModels.cc b/Mobi/Sources/ProteinModels.cc
index 28f6f33..e921dc4 100644
--- a/Mobi/Sources/ProteinModels.cc
+++ b/Mobi/Sources/ProteinModels.cc
@@ -105,6 +105,8 @@ void ProteinModels::printModels(string outputFile){
 
 	unsigned int i = 0;
 
+	if (verbose)
+		cout<<"\n ###Salvataggio su file dei modelli ###"<<endl;
 	vector<Spacer>::iterator walk = models.begin();
 	while (walk != models.end()) {
 
@@ -169,6 +171,6 @@ void ProteinModels::addModels(Spacer& sp){
 }
 
 
-vector<Spacer> ProteinModels::getModels() {
-	return this->models;
+Spacer ProteinModels::getModel(unsigned int u) {
+	return this->models[u];
 }
diff --git a/Mobi/Sources/ProteinModels.h b/Mobi/Sources/ProteinModels.h
index 238a76c..56b5f02 100644
--- a/Mobi/Sources/ProteinModels.h
+++ b/Mobi/Sources/ProteinModels.h
@@ -62,7 +62,7 @@ class ProteinModels : public Protein{
 
 	void save(string outputFile);
 
-	vector <Spacer> getModels();
+	Spacer getModel(unsigned u);
 	void addModels(Spacer& sp);
 
 	void printModels(string outputFile);
@@ -70,6 +70,8 @@ class ProteinModels : public Protein{
 	// MODIFIERS:
 private:
 	bool verbose;
+
+public:
 	vector <Spacer> models;
 
 };
diff --git a/Mobi/Sources/ProteinModels.o b/Mobi/Sources/ProteinModels.o
index aac92640b809e4501839d4733778339963ff1a0c..ef92efc23bfc2a9eae56499fec518697666cfa52 100644
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diff --git a/Mobi/Sources/ScaleDistance.cc b/Mobi/Sources/ScaleDistance.cc
index 6183ea9..2f8a559 100644
--- a/Mobi/Sources/ScaleDistance.cc
+++ b/Mobi/Sources/ScaleDistance.cc
@@ -10,8 +10,55 @@ using namespace Victor;
 using namespace Victor::Mobi;
 using namespace Victor::Biopool;
 
-ScaleDistance::ScaleDistance(const ProteinModels& _orig, bool verbose) :
-		verbose(verbose) {
+ScaleDistance::ScaleDistance(const ProteinModels& modelli, bool verbose) :
+	verbose(verbose) {
+
+	//vector <int>* ScaleD = new vector<int>(5);
+
+	Spacer primo_modello;
+	Spacer secondo_modello;
+
+	unsigned int u = 0;
+	while (u <((modelli.size())/2)) {
+		if (verbose)
+		cout << "#modello numero: " << u << endl;
+		primo_modello = modelli.models[u];
+		this-> getCaAtom(primo_modello, true);
+		u++;
+		cout << "#modello numero: " << u << endl;
+		secondo_modello = modelli.models[u];
+		this-> getCaAtom(secondo_modello, false);
+		u++;
+	}
+
+	//cout << "##### Atomo:" << this->CaVector1[0].getCode() << endl;
+
+
+
+
+}
+
+
+
+void ScaleDistance :: getCaAtom (Spacer& s, bool flag){
+
+	for (unsigned int u=0; u < s.sizeAmino(); u++) {
+		AminoAcid a = s.getAmino(u);
+		if (verbose)
+			cout << "#Aminoacido numero: " << u << ":" << endl;
+
+		unsigned int i = 1;
+
+		if (flag)
+			this->CaVector1.push_back(a.getAtom(i));
+		else
+			this->CaVector2.push_back(a.getAtom(i));
+
+
+		if (a.getAtom(i).getCode()!= CA)
+			ERROR("L'atomo trovato non è un carbonio alfa.", exception);
+
+	}
 
 }
 
diff --git a/Mobi/Sources/ScaleDistance.h b/Mobi/Sources/ScaleDistance.h
index f87149c..cf3f1e6 100644
--- a/Mobi/Sources/ScaleDistance.h
+++ b/Mobi/Sources/ScaleDistance.h
@@ -23,6 +23,7 @@
 
 #include<ProteinModels.h>
 #include<AtomCode.h>
+#include <string.h>
 
 using namespace Victor::Biopool;
 
@@ -41,8 +42,16 @@ class ScaleDistance {
 
 	virtual ~ScaleDistance();
 
+
+
+	void getCaAtom (Spacer& s, bool flag);
+
+
 private:
 	bool verbose;
+	vector<Atom> CaVector1;
+	vector<Atom> CaVector2;
+	//vector<int>* ScaleD;
 
 };
 }
diff --git a/Mobi/Sources/ScaleDistance.o b/Mobi/Sources/ScaleDistance.o
index 4314b9fc2ec3fb87cd98d78cce2a467d14197769..cdae78e1872d3f96594e24fee376917c31474741 100644
GIT binary patch
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diff --git a/Mobi/Sources/TmScore.cc b/Mobi/Sources/TmScore.cc
index e340c1e..17400bf 100644
--- a/Mobi/Sources/TmScore.cc
+++ b/Mobi/Sources/TmScore.cc
@@ -187,6 +187,9 @@ Protein* TmScore::TmImpose(string modelFile, string nativeFile) {
 
 					prot = new Protein();
 
+					if (verbose)
+						cout << "### Caricamento proteina rototraslata ###" <<endl;
+
 					pl.loadProtein(*prot);
 
 
diff --git a/Mobi/Sources/TmScore.o b/Mobi/Sources/TmScore.o
index 79810a48aa012eb3f2d23a0a0b9eb22c4df2eee1..0a816dcbb284f259a5abb07e3f40fe0c96b334ca 100644
GIT binary patch
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From ebebde58e68bd656455db7cef004044eb2285f25 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Sat, 18 Jul 2015 19:49:48 +0200
Subject: [PATCH 14/61] Calcolata scale distance

---
 Mobi/APPS/mobi.cc             |   9 ++-
 Mobi/APPS/mobi.o              | Bin 27040 -> 27200 bytes
 Mobi/Sources/ScaleDistance.cc | 119 ++++++++++++++++++++++++++--------
 Mobi/Sources/ScaleDistance.h  |  16 +++--
 Mobi/Sources/ScaleDistance.o  | Bin 20304 -> 26096 bytes
 Mobi/Sources/TmScore.cc       |   1 +
 Mobi/Sources/TmScore.o        | Bin 34576 -> 34576 bytes
 7 files changed, 111 insertions(+), 34 deletions(-)

diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index c2d970f..c936914 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -137,6 +137,7 @@ int main(int argc, char* argv[]) {
 
 	TmScore tm("./Mobi/data/TMscore", outputFile, v);
 
+
 	Protein* traslata = new Protein();
 
 	for (unsigned int i = 0; i < prot.size(); i++)
@@ -163,7 +164,13 @@ int main(int argc, char* argv[]) {
 
 	prot.printModels(outputFile);
 
-	ScaleDistance prova(prot, v);
+	//cout << "#########" << prot.models.size() << endl;
+
+	ScaleDistance prova(prot, false , v);
+
+
+	cout << "#########" << endl;
+
 
 	return 0;
 }
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index 920e5c589f2e99c49a88bf5f17db89adf0f234f5..a0bb7a878a77f50541b53997f271781d67c27eb8 100644
GIT binary patch
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diff --git a/Mobi/Sources/ScaleDistance.cc b/Mobi/Sources/ScaleDistance.cc
index 2f8a559..f192360 100644
--- a/Mobi/Sources/ScaleDistance.cc
+++ b/Mobi/Sources/ScaleDistance.cc
@@ -10,58 +10,125 @@ using namespace Victor;
 using namespace Victor::Mobi;
 using namespace Victor::Biopool;
 
-ScaleDistance::ScaleDistance(const ProteinModels& modelli, bool verbose) :
-	verbose(verbose) {
+ScaleDistance::ScaleDistance(const ProteinModels& modelli, bool standardDeviation ,bool verbose) :
+		standardDev(standardDeviation), verbose(verbose), models(modelli.models) {
 
-	//vector <int>* ScaleD = new vector<int>(5);
+	Spacer* primo_modello = new Spacer;
+	Spacer* secondo_modello = new Spacer;
 
-	Spacer primo_modello;
-	Spacer secondo_modello;
+	unsigned int num_atomi = 0;
+	double ScalD, distance= -1.0;
 
+	if (models.size() != 0)
+		num_atomi = models[0].sizeAmino();
+	else
+		ERROR("Nessun modello presente nella proteina", exception);
+
+	vector <double>* ScD = new vector <double>(num_atomi);
+
+
+	vector<vector<double> > dist_from_Ca_atoms(num_atomi,
+			vector<double>(0.0));
+
+	cout << "################# " << dist_from_Ca_atoms.size() << "   " << dist_from_Ca_atoms[0].size() << endl;
+
+
+	if (verbose){
+		cout << "Numero di modelli presenti: " << models.size() << endl;
+		cout << "Ogni modello ha un numero di atomi pari a: " << num_atomi << endl;
+	}
+	//scorro i modelli e per ognuno creo il vettore di atomi
 	unsigned int u = 0;
-	while (u <((modelli.size())/2)) {
+
+	while (u < (models.size())) {
+		//if (verbose)
+		//cout << "#modello numero: " << u << endl;
 		if (verbose)
-		cout << "#modello numero: " << u << endl;
-		primo_modello = modelli.models[u];
-		this-> getCaAtom(primo_modello, true);
+				cout << "#Distanza tra modello: " << u;
+
+		primo_modello = &models[u];
+		getCaAtom(primo_modello, true);
 		u++;
-		cout << "#modello numero: " << u << endl;
-		secondo_modello = modelli.models[u];
-		this-> getCaAtom(secondo_modello, false);
+		//if (verbose)
+		//cout << "#modello numero: " << u << endl;
+
+		if (verbose)
+						cout << " e modello: " << u << endl;
+
+		secondo_modello = &models[u];
+		getCaAtom(secondo_modello, false);
 		u++;
+
+
+		//cout << "GRandezza vettore " << dist_from_Ca_atoms[0].size() << endl;
+
+		for (unsigned int i = 0; i < num_atomi; i++) {
+			distance = CaVector1[i].distance(CaVector2[i]);
+			ScalD = 1.0 / (pow (( 1.0 + (distance/4.0) ), 2.0));
+			dist_from_Ca_atoms[i].push_back(ScalD);
+			if (verbose)
+			cout << dist_from_Ca_atoms[i].back() << endl;
+		}
+
+		//cout << "GRAndezza vettore " << dist_from_Ca_atoms[0].size() << endl;
+
+		CaVector1.clear();
+		CaVector2.clear();
+
 	}
 
-	//cout << "##### Atomo:" << this->CaVector1[0].getCode() << endl;
+
+	if (standardDeviation){}
+	else{
+		int count;
+		double sum;
+		for (unsigned int i = 0; i < num_atomi; i++) {
+			count=0;
+			sum=0;
+			cout << "Grandezza vettore " << dist_from_Ca_atoms[0].size() << endl;
+			vector<double>::iterator atom = dist_from_Ca_atoms[i].begin();
+			while (atom != dist_from_Ca_atoms[i].end()){
+
+				sum = sum + (*atom);
+
+				atom++;
+				count++;
+			}
+			cout << "SOMMA " << sum << " COUNT " << count << endl;
+			ScD->push_back((sum / count));
+			cout << "media per il " << i << " atomo = " << sum/count << endl;
 
 
+		}
 
 
+	}
+
+}
+
+ScaleDistance::~ScaleDistance() {
 }
 
 
+void ScaleDistance::getCaAtom(Spacer* s, bool flag) {
 
-void ScaleDistance :: getCaAtom (Spacer& s, bool flag){
+//per un modello fissato creo il vettore di atomi
+	AminoAcid* a = new AminoAcid;
+
+	for (unsigned int u = 0; u < s->sizeAmino(); u++) {
+		a = &(s->getAmino(u));
 
-	for (unsigned int u=0; u < s.sizeAmino(); u++) {
-		AminoAcid a = s.getAmino(u);
-		if (verbose)
-			cout << "#Aminoacido numero: " << u << ":" << endl;
 
 		unsigned int i = 1;
 
 		if (flag)
-			this->CaVector1.push_back(a.getAtom(i));
+			this->CaVector1.push_back(a->getAtom(i));
 		else
-			this->CaVector2.push_back(a.getAtom(i));
-
+			this->CaVector2.push_back(a->getAtom(i));
 
-		if (a.getAtom(i).getCode()!= CA)
+		if (a->getAtom(i).getCode() != CA)
 			ERROR("L'atomo trovato non è un carbonio alfa.", exception);
 
 	}
 
 }
-
-ScaleDistance::~ScaleDistance() {
-}
-
diff --git a/Mobi/Sources/ScaleDistance.h b/Mobi/Sources/ScaleDistance.h
index cf3f1e6..f3c9aa7 100644
--- a/Mobi/Sources/ScaleDistance.h
+++ b/Mobi/Sources/ScaleDistance.h
@@ -24,6 +24,7 @@
 #include<ProteinModels.h>
 #include<AtomCode.h>
 #include <string.h>
+#include <math.h>
 
 using namespace Victor::Biopool;
 
@@ -38,20 +39,21 @@ class ScaleDistance {
 public:
 
 	// CONSTRUCTORS/DESTRUCTOR:
-	ScaleDistance(const ProteinModels& _orig, bool _verbose = false);
+	ScaleDistance(const ProteinModels& _orig, bool _standardDeviation = false , bool _verbose = false);
 
 	virtual ~ScaleDistance();
 
 
-
-	void getCaAtom (Spacer& s, bool flag);
+private:
+	void getCaAtom (Spacer* s, bool flag);
 
 
 private:
-	bool verbose;
-	vector<Atom> CaVector1;
-	vector<Atom> CaVector2;
-	//vector<int>* ScaleD;
+	bool standardDev,verbose;
+	vector <Spacer> models;
+	vector <Atom> CaVector1, CaVector2;
+	vector < vector<double> > dist_from_Ca_atoms;
+	vector <double>* ScD;
 
 };
 }
diff --git a/Mobi/Sources/ScaleDistance.o b/Mobi/Sources/ScaleDistance.o
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diff --git a/Mobi/Sources/TmScore.cc b/Mobi/Sources/TmScore.cc
index 17400bf..e234edf 100644
--- a/Mobi/Sources/TmScore.cc
+++ b/Mobi/Sources/TmScore.cc
@@ -194,6 +194,7 @@ Protein* TmScore::TmImpose(string modelFile, string nativeFile) {
 
 
 
+
 				}
 			}
 		} else
diff --git a/Mobi/Sources/TmScore.o b/Mobi/Sources/TmScore.o
index 0a816dcbb284f259a5abb07e3f40fe0c96b334ca..b14685c0df222854975b2db1bbcc7effffb95215 100644
GIT binary patch
delta 27
jcmbQx$26gjX~P;O#xtAOGCdV#JUMwSQ|V?7Nsc@KowEv)

delta 27
jcmbQx$26gjX~P;O#?zbEGCdV#JTZAKQ|V?7Nsc@KotO%d


From 4ab69146639e1664d56989ecceece0a70e6ce68c Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Sun, 19 Jul 2015 15:24:17 +0200
Subject: [PATCH 15/61] calcolata media scale distance e varianza scale
 distance.

---
 Mobi/APPS/mobi.cc             |  10 ++++--
 Mobi/APPS/mobi.o              | Bin 27200 -> 27408 bytes
 Mobi/Sources/ScaleDistance.cc |  57 ++++++++++++++++++++++++++++++----
 Mobi/Sources/ScaleDistance.h  |   4 ++-
 Mobi/Sources/ScaleDistance.o  | Bin 26096 -> 27792 bytes
 5 files changed, 62 insertions(+), 9 deletions(-)

diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index c936914..77616f5 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -166,10 +166,16 @@ int main(int argc, char* argv[]) {
 
 	//cout << "#########" << prot.models.size() << endl;
 
-	ScaleDistance prova(prot, false , v);
+	ScaleDistance prova(prot, true , v);
 
 
-	cout << "#########" << endl;
+	vector <double>* SD = new vector <double>;
+
+	SD = prova.get_ScalDist();
+
+
+
+	cout << "#########" << SD->size() << endl;
 
 
 	return 0;
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index a0bb7a878a77f50541b53997f271781d67c27eb8..f2c62cf776273064ee93c99ee8bcecd8fd01eb6c 100644
GIT binary patch
delta 3453
zcmZ`*ZBSI#89wLA9oS_*Vdd_PEW5xa!JxQ{tvIz|1!J-x@)2WgtcZ(6Vrv^|nZ%}s
zRanR@WDS`&NmJXRNwj}#n&@IAF+-qEG+-OW(Z-OFMB6m(w2mgzA=Iz!d(Pg)%Q|~z
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diff --git a/Mobi/Sources/ScaleDistance.cc b/Mobi/Sources/ScaleDistance.cc
index f192360..6db1778 100644
--- a/Mobi/Sources/ScaleDistance.cc
+++ b/Mobi/Sources/ScaleDistance.cc
@@ -24,7 +24,7 @@ ScaleDistance::ScaleDistance(const ProteinModels& modelli, bool standardDeviatio
 	else
 		ERROR("Nessun modello presente nella proteina", exception);
 
-	vector <double>* ScD = new vector <double>(num_atomi);
+
 
 
 	vector<vector<double> > dist_from_Ca_atoms(num_atomi,
@@ -78,8 +78,7 @@ ScaleDistance::ScaleDistance(const ProteinModels& modelli, bool standardDeviatio
 	}
 
 
-	if (standardDeviation){}
-	else{
+
 		int count;
 		double sum;
 		for (unsigned int i = 0; i < num_atomi; i++) {
@@ -94,15 +93,55 @@ ScaleDistance::ScaleDistance(const ProteinModels& modelli, bool standardDeviatio
 				atom++;
 				count++;
 			}
-			cout << "SOMMA " << sum << " COUNT " << count << endl;
+			//cout << "SOMMA " << sum << " COUNT " << count << endl;
 			ScD->push_back((sum / count));
-			cout << "media per il " << i << " atomo = " << sum/count << endl;
+			cout << "media per il " << i << " atomo = " << ScD->back() << endl;
 
 
 		}
 
+		if (standardDev){
+
+
+			double standDev=-1;
+
+			cout << "#############################" << endl;
+
+			vector<double>::iterator everage = ScD->begin();
+
+			for (unsigned int i = 0; i < num_atomi; i++) {
+				sum=0;
+				count=0;
+				vector<double>::iterator atom = dist_from_Ca_atoms[i].begin();
+
+
+				while (atom != dist_from_Ca_atoms[i].end()){
+					cout << "Stampo distanza fra atomi " << *atom << endl;
+					sum += (pow ( ((*atom) - (*everage) ) , 2.0 ));
+							atom++;
+							count++;
+
+				}
+
+				standDev = sqrt(sum / count);
+
+				cout << "sum : " << sum << "COUNT" << count << endl;
+				cout << "media : " << *everage << endl;
+				cout << "DEVSTADARD per il " << i << " atomo = " << standDev << endl;
+				*everage = standDev;
+
+				everage++;
+
+
+			}
+
+
+		}
+
+
+
+
 
-	}
 
 }
 
@@ -132,3 +171,9 @@ void ScaleDistance::getCaAtom(Spacer* s, bool flag) {
 	}
 
 }
+
+
+
+vector <double>* ScaleDistance::get_ScalDist(){
+	return ScD;
+}
diff --git a/Mobi/Sources/ScaleDistance.h b/Mobi/Sources/ScaleDistance.h
index f3c9aa7..1eefc2f 100644
--- a/Mobi/Sources/ScaleDistance.h
+++ b/Mobi/Sources/ScaleDistance.h
@@ -44,6 +44,8 @@ class ScaleDistance {
 	virtual ~ScaleDistance();
 
 
+	vector <double>* get_ScalDist();
+
 private:
 	void getCaAtom (Spacer* s, bool flag);
 
@@ -53,7 +55,7 @@ class ScaleDistance {
 	vector <Spacer> models;
 	vector <Atom> CaVector1, CaVector2;
 	vector < vector<double> > dist_from_Ca_atoms;
-	vector <double>* ScD;
+	vector <double>* ScD = new vector <double>;
 
 };
 }
diff --git a/Mobi/Sources/ScaleDistance.o b/Mobi/Sources/ScaleDistance.o
index 4b878b019d54af6f5f1d5744752eea3ce9063d6a..75910c78158c02807a2277a25f54879664606bb3 100644
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P<#$PPzDRnz7?=Ma7sb?J


From ae7c490302bd94293d6df0ffa627f900d4daca31 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Sun, 19 Jul 2015 16:29:10 +0200
Subject: [PATCH 16/61] Finito calcolo scale distance e media fra distanze, con
 tanti modelli esplode

---
 Mobi/APPS/mobi.cc             |  16 ++++++----------
 Mobi/APPS/mobi.o              | Bin 27408 -> 28936 bytes
 Mobi/Sources/ScaleDistance.cc |  10 +++++-----
 Mobi/Sources/ScaleDistance.h  |   4 ++--
 Mobi/Sources/ScaleDistance.o  | Bin 27792 -> 28112 bytes
 5 files changed, 13 insertions(+), 17 deletions(-)

diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index 77616f5..04bef50 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -25,7 +25,6 @@
 //
 //
 // -----------------x-----------------------------------------------------------
-
 #include <ProteinModels.h>
 #include <ScaleDistance.h>
 #include <TmScore.h>
@@ -137,7 +136,6 @@ int main(int argc, char* argv[]) {
 
 	TmScore tm("./Mobi/data/TMscore", outputFile, v);
 
-
 	Protein* traslata = new Protein();
 
 	for (unsigned int i = 0; i < prot.size(); i++)
@@ -164,19 +162,17 @@ int main(int argc, char* argv[]) {
 
 	prot.printModels(outputFile);
 
-	//cout << "#########" << prot.models.size() << endl;
-
-	ScaleDistance prova(prot, true , v);
-
+	ScaleDistance prova(prot, false , v);
 
-	vector <double>* SD = new vector <double>;
+	vector<double> SD;
 
 	SD = prova.get_ScalDist();
 
+	for (vector<double>::iterator everage = SD.begin(); everage != SD.end();
+			everage++) {
+		cout << *everage << endl;
 
-
-	cout << "#########" << SD->size() << endl;
-
+	}
 
 	return 0;
 }
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index f2c62cf776273064ee93c99ee8bcecd8fd01eb6c..efd6b0762353d76ee82bf6b9222b11e4ed6f548c 100644
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diff --git a/Mobi/Sources/ScaleDistance.cc b/Mobi/Sources/ScaleDistance.cc
index 6db1778..7e668c7 100644
--- a/Mobi/Sources/ScaleDistance.cc
+++ b/Mobi/Sources/ScaleDistance.cc
@@ -94,8 +94,8 @@ ScaleDistance::ScaleDistance(const ProteinModels& modelli, bool standardDeviatio
 				count++;
 			}
 			//cout << "SOMMA " << sum << " COUNT " << count << endl;
-			ScD->push_back((sum / count));
-			cout << "media per il " << i << " atomo = " << ScD->back() << endl;
+			ScD.push_back((sum / count));
+			cout << "media per il " << i << " atomo = " << ScD.back() << endl;
 
 
 		}
@@ -107,7 +107,7 @@ ScaleDistance::ScaleDistance(const ProteinModels& modelli, bool standardDeviatio
 
 			cout << "#############################" << endl;
 
-			vector<double>::iterator everage = ScD->begin();
+			vector<double>::iterator everage = ScD.begin();
 
 			for (unsigned int i = 0; i < num_atomi; i++) {
 				sum=0;
@@ -125,7 +125,7 @@ ScaleDistance::ScaleDistance(const ProteinModels& modelli, bool standardDeviatio
 
 				standDev = sqrt(sum / count);
 
-				cout << "sum : " << sum << "COUNT" << count << endl;
+				cout << "sum : " << sum << " COUNT " << count << endl;
 				cout << "media : " << *everage << endl;
 				cout << "DEVSTADARD per il " << i << " atomo = " << standDev << endl;
 				*everage = standDev;
@@ -174,6 +174,6 @@ void ScaleDistance::getCaAtom(Spacer* s, bool flag) {
 
 
 
-vector <double>* ScaleDistance::get_ScalDist(){
+vector <double> ScaleDistance::get_ScalDist(){
 	return ScD;
 }
diff --git a/Mobi/Sources/ScaleDistance.h b/Mobi/Sources/ScaleDistance.h
index 1eefc2f..ac14e06 100644
--- a/Mobi/Sources/ScaleDistance.h
+++ b/Mobi/Sources/ScaleDistance.h
@@ -44,7 +44,7 @@ class ScaleDistance {
 	virtual ~ScaleDistance();
 
 
-	vector <double>* get_ScalDist();
+	vector <double> get_ScalDist();
 
 private:
 	void getCaAtom (Spacer* s, bool flag);
@@ -55,7 +55,7 @@ class ScaleDistance {
 	vector <Spacer> models;
 	vector <Atom> CaVector1, CaVector2;
 	vector < vector<double> > dist_from_Ca_atoms;
-	vector <double>* ScD = new vector <double>;
+	vector <double> ScD;
 
 };
 }
diff --git a/Mobi/Sources/ScaleDistance.o b/Mobi/Sources/ScaleDistance.o
index 75910c78158c02807a2277a25f54879664606bb3..4e1ec55c76f4d2f9e820eb3388d8ced0272acdf0 100644
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AyZ`_I


From bd598d0587ebc661fdfa845bb3e8c637f47cf935 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Mon, 20 Jul 2015 20:29:18 +0200
Subject: [PATCH 17/61] fixed bugs, rinominata clase.

---
 Biopool/Sources/Spacer.cc                     |  31 +--
 Mobi/APPS/mobi.cc                             |  16 +-
 Mobi/APPS/mobi.o                              | Bin 28936 -> 28656 bytes
 Mobi/Sources/Makefile                         |   4 +-
 Mobi/Sources/ScaleDistance.cc                 | 179 ------------------
 Mobi/Sources/ScaleDistance.o                  | Bin 28112 -> 0 bytes
 Mobi/Sources/StandardDeviation.cc             | 172 +++++++++++++++++
 .../{ScaleDistance.h => StandardDeviation.h}  |  14 +-
 Mobi/Sources/TmScore.cc                       |   1 -
 Mobi/Sources/TmScore.o                        | Bin 34576 -> 34576 bytes
 10 files changed, 206 insertions(+), 211 deletions(-)
 delete mode 100644 Mobi/Sources/ScaleDistance.cc
 delete mode 100644 Mobi/Sources/ScaleDistance.o
 create mode 100644 Mobi/Sources/StandardDeviation.cc
 rename Mobi/Sources/{ScaleDistance.h => StandardDeviation.h} (81%)

diff --git a/Biopool/Sources/Spacer.cc b/Biopool/Sources/Spacer.cc
index b77fdc5..4a76026 100644
--- a/Biopool/Sources/Spacer.cc
+++ b/Biopool/Sources/Spacer.cc
@@ -1665,25 +1665,26 @@ void Spacer::setDSSP(bool verbose) {
                 if (it != ss[i].end()) { // found a n-turn
                     char pos_s = *it;
 					int pos = atoi(&(pos_s));
-					if (!ss[i + pos - 1].empty()) {
-						set<char>::iterator it1 = ss[i + pos - 1].find(
-								turns[l]);
-						if (it1 != ss[i + pos - 1].end()) { // found the same n-turn after n-1 positions
-							bool helixBreak = false;
-							for (unsigned int m = i; m < (i + pos); m++) {
-								set<char>::iterator it2 = ss[m].find(turns[l]);
-								if (it2 == ss[m].end()) {
-									helixBreak = true;
-								}
+					if(i+pos-1 >= ss.size())
+						break;
+					set<char>::iterator it1 = ss[i + pos - 1].find(
+							turns[l]);
+					if (it1 != ss[i + pos - 1].end()) { // found the same n-turn after n-1 positions
+						bool helixBreak = false;
+						for (unsigned int m = i; m < (i + pos); m++) {
+							set<char>::iterator it2 = ss[m].find(turns[l]);
+							if (it2 == ss[m].end()) {
+								helixBreak = true;
 							}
-							if (!helixBreak) {
-								for (unsigned int m = i; m < (i + pos); m++) {
-									ss[m].insert(helices[l]);
-								}
+						}
+						if (!helixBreak) {
+							for (unsigned int m = i; m < (i + pos); m++) {
+								ss[m].insert(helices[l]);
 							}
-							break;
 						}
+						break;
 					}
+
 				}
 			}
             // Set sheets (E)
diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index 04bef50..905b3bc 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -26,11 +26,11 @@
 //
 // -----------------x-----------------------------------------------------------
 #include <ProteinModels.h>
-#include <ScaleDistance.h>
 #include <TmScore.h>
 #include <string>
 #include <GetArg.h>
 #include <PdbSaver.h>
+#include <StandardDeviation.h>
 
 using namespace Victor;
 using namespace Victor::Biopool;
@@ -138,9 +138,9 @@ int main(int argc, char* argv[]) {
 
 	Protein* traslata = new Protein();
 
-	for (unsigned int i = 0; i < prot.size(); i++)
-		for (unsigned int j = 0; j < prot.size(); j++)
-			if (i != j) {
+	for (unsigned int i = 0; i < prot.size()-1; i++)
+		for (unsigned int j = i+1; j < prot.size(); j++)
+			{
 				if (v)
 					cout << "\n Lettura proteine da traslare:\n "
 							<< outputFile + (itosDEF(i))
@@ -158,15 +158,17 @@ int main(int argc, char* argv[]) {
 
 				prot.addModels(*(prot.getSpacer(j)));
 
+
 			}
 
-	prot.printModels(outputFile);
 
-	ScaleDistance prova(prot, false , v);
+	//prot.printModels(outputFile);
+
+	StandardDeviation std(prot, v);
 
 	vector<double> SD;
 
-	SD = prova.get_ScalDist();
+	SD = std.get_ScalDist();
 
 	for (vector<double>::iterator everage = SD.begin(); everage != SD.end();
 			everage++) {
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index efd6b0762353d76ee82bf6b9222b11e4ed6f548c..f0ed4dc35033d24d794eb880db626d762e2829f1 100644
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diff --git a/Mobi/Sources/Makefile b/Mobi/Sources/Makefile
index beaa548..328f02c 100644
--- a/Mobi/Sources/Makefile
+++ b/Mobi/Sources/Makefile
@@ -27,10 +27,10 @@ INC_PATH = -I. -I../../tools -I../../Biopool/Sources
 #
  
 
-SOURCES = 	 ProteinModels.cc	TmScore.cc	ScaleDistance.cc
+SOURCES = 	 ProteinModels.cc	TmScore.cc	StandardDeviation.cc
 
 
-OBJECTS = 	 ProteinModels.o	TmScore.o	ScaleDistance.o
+OBJECTS = 	 ProteinModels.o	TmScore.o	StandardDeviation.o
 
 
 TARGETS =   
diff --git a/Mobi/Sources/ScaleDistance.cc b/Mobi/Sources/ScaleDistance.cc
deleted file mode 100644
index 7e668c7..0000000
--- a/Mobi/Sources/ScaleDistance.cc
+++ /dev/null
@@ -1,179 +0,0 @@
-/*
- * ScaleDistance.cc
- *
- *  Created on: 11 lug 2015
- *      Author: riccardo
- */
-#include <ScaleDistance.h>
-
-using namespace Victor;
-using namespace Victor::Mobi;
-using namespace Victor::Biopool;
-
-ScaleDistance::ScaleDistance(const ProteinModels& modelli, bool standardDeviation ,bool verbose) :
-		standardDev(standardDeviation), verbose(verbose), models(modelli.models) {
-
-	Spacer* primo_modello = new Spacer;
-	Spacer* secondo_modello = new Spacer;
-
-	unsigned int num_atomi = 0;
-	double ScalD, distance= -1.0;
-
-	if (models.size() != 0)
-		num_atomi = models[0].sizeAmino();
-	else
-		ERROR("Nessun modello presente nella proteina", exception);
-
-
-
-
-	vector<vector<double> > dist_from_Ca_atoms(num_atomi,
-			vector<double>(0.0));
-
-	cout << "################# " << dist_from_Ca_atoms.size() << "   " << dist_from_Ca_atoms[0].size() << endl;
-
-
-	if (verbose){
-		cout << "Numero di modelli presenti: " << models.size() << endl;
-		cout << "Ogni modello ha un numero di atomi pari a: " << num_atomi << endl;
-	}
-	//scorro i modelli e per ognuno creo il vettore di atomi
-	unsigned int u = 0;
-
-	while (u < (models.size())) {
-		//if (verbose)
-		//cout << "#modello numero: " << u << endl;
-		if (verbose)
-				cout << "#Distanza tra modello: " << u;
-
-		primo_modello = &models[u];
-		getCaAtom(primo_modello, true);
-		u++;
-		//if (verbose)
-		//cout << "#modello numero: " << u << endl;
-
-		if (verbose)
-						cout << " e modello: " << u << endl;
-
-		secondo_modello = &models[u];
-		getCaAtom(secondo_modello, false);
-		u++;
-
-
-		//cout << "GRandezza vettore " << dist_from_Ca_atoms[0].size() << endl;
-
-		for (unsigned int i = 0; i < num_atomi; i++) {
-			distance = CaVector1[i].distance(CaVector2[i]);
-			ScalD = 1.0 / (pow (( 1.0 + (distance/4.0) ), 2.0));
-			dist_from_Ca_atoms[i].push_back(ScalD);
-			if (verbose)
-			cout << dist_from_Ca_atoms[i].back() << endl;
-		}
-
-		//cout << "GRAndezza vettore " << dist_from_Ca_atoms[0].size() << endl;
-
-		CaVector1.clear();
-		CaVector2.clear();
-
-	}
-
-
-
-		int count;
-		double sum;
-		for (unsigned int i = 0; i < num_atomi; i++) {
-			count=0;
-			sum=0;
-			cout << "Grandezza vettore " << dist_from_Ca_atoms[0].size() << endl;
-			vector<double>::iterator atom = dist_from_Ca_atoms[i].begin();
-			while (atom != dist_from_Ca_atoms[i].end()){
-
-				sum = sum + (*atom);
-
-				atom++;
-				count++;
-			}
-			//cout << "SOMMA " << sum << " COUNT " << count << endl;
-			ScD.push_back((sum / count));
-			cout << "media per il " << i << " atomo = " << ScD.back() << endl;
-
-
-		}
-
-		if (standardDev){
-
-
-			double standDev=-1;
-
-			cout << "#############################" << endl;
-
-			vector<double>::iterator everage = ScD.begin();
-
-			for (unsigned int i = 0; i < num_atomi; i++) {
-				sum=0;
-				count=0;
-				vector<double>::iterator atom = dist_from_Ca_atoms[i].begin();
-
-
-				while (atom != dist_from_Ca_atoms[i].end()){
-					cout << "Stampo distanza fra atomi " << *atom << endl;
-					sum += (pow ( ((*atom) - (*everage) ) , 2.0 ));
-							atom++;
-							count++;
-
-				}
-
-				standDev = sqrt(sum / count);
-
-				cout << "sum : " << sum << " COUNT " << count << endl;
-				cout << "media : " << *everage << endl;
-				cout << "DEVSTADARD per il " << i << " atomo = " << standDev << endl;
-				*everage = standDev;
-
-				everage++;
-
-
-			}
-
-
-		}
-
-
-
-
-
-
-}
-
-ScaleDistance::~ScaleDistance() {
-}
-
-
-void ScaleDistance::getCaAtom(Spacer* s, bool flag) {
-
-//per un modello fissato creo il vettore di atomi
-	AminoAcid* a = new AminoAcid;
-
-	for (unsigned int u = 0; u < s->sizeAmino(); u++) {
-		a = &(s->getAmino(u));
-
-
-		unsigned int i = 1;
-
-		if (flag)
-			this->CaVector1.push_back(a->getAtom(i));
-		else
-			this->CaVector2.push_back(a->getAtom(i));
-
-		if (a->getAtom(i).getCode() != CA)
-			ERROR("L'atomo trovato non è un carbonio alfa.", exception);
-
-	}
-
-}
-
-
-
-vector <double> ScaleDistance::get_ScalDist(){
-	return ScD;
-}
diff --git a/Mobi/Sources/ScaleDistance.o b/Mobi/Sources/ScaleDistance.o
deleted file mode 100644
index 4e1ec55c76f4d2f9e820eb3388d8ced0272acdf0..0000000000000000000000000000000000000000
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diff --git a/Mobi/Sources/StandardDeviation.cc b/Mobi/Sources/StandardDeviation.cc
new file mode 100644
index 0000000..a0933f9
--- /dev/null
+++ b/Mobi/Sources/StandardDeviation.cc
@@ -0,0 +1,172 @@
+/*
+ * ScaleDistance.cc
+ *
+ *  Created on: 11 lug 2015
+ *      Author: riccardo
+ */
+#include "StandardDeviation.h"
+
+using namespace Victor;
+using namespace Victor::Mobi;
+using namespace Victor::Biopool;
+
+StandardDeviation::StandardDeviation(const ProteinModels& modelli ,bool verbose) :
+	 verbose(verbose), models(modelli.models) {}
+
+StandardDeviation::~StandardDeviation() {
+}
+
+
+void StandardDeviation::getCaAtom(Spacer* s, bool flag) {
+
+//per un modello fissato creo il vettore di atomi
+	AminoAcid* a = new AminoAcid;
+
+	for (unsigned int u = 0; u < s->sizeAmino(); u++) {
+		a = &(s->getAmino(u));
+
+
+		unsigned int i = 1;
+
+		if (flag)
+			this->CaVector1.push_back(a->getAtom(i));
+		else
+			this->CaVector2.push_back(a->getAtom(i));
+
+		if (a->getAtom(i).getCode() != CA)
+			ERROR("L'atomo trovato non è un carbonio alfa.", exception);
+
+	}
+
+}
+
+
+
+vector <double> StandardDeviation::get_ScalDist(){
+
+	Spacer* primo_modello = new Spacer;
+		Spacer* secondo_modello = new Spacer;
+
+		unsigned int num_atomi = 0;
+		double ScalD, distance= -1.0;
+
+		if (models.size() != 0)
+			num_atomi = models[0].sizeAmino();
+		else
+			ERROR("Nessun modello presente nella proteina", exception);
+
+
+
+
+		vector<vector<double> > dist_from_Ca_atoms(num_atomi,
+				vector<double>(0.0));
+
+		cout << "################# " << dist_from_Ca_atoms.size() << "   " << dist_from_Ca_atoms[0].size() << endl;
+
+
+		if (verbose){
+			cout << "Numero di modelli presenti: " << models.size() << endl;
+			cout << "Ogni modello ha un numero di atomi pari a: " << num_atomi << endl;
+		}
+		//scorro i modelli e per ognuno creo il vettore di atomi
+		unsigned int u = 0;
+
+		while (u < (models.size())) {
+			//if (verbose)
+			//cout << "#modello numero: " << u << endl;
+			if (verbose)
+					cout << "#Distanza tra modello: " << u;
+
+			primo_modello = &models[u];
+			getCaAtom(primo_modello, true);
+			u++;
+			//if (verbose)
+			//cout << "#modello numero: " << u << endl;
+
+			if (verbose)
+							cout << " e modello: " << u << endl;
+
+			secondo_modello = &models[u];
+			getCaAtom(secondo_modello, false);
+			u++;
+
+
+			//cout << "GRandezza vettore " << dist_from_Ca_atoms[0].size() << endl;
+
+			for (unsigned int i = 0; i < num_atomi; i++) {
+				distance = CaVector1[i].distance(CaVector2[i]);
+				ScalD = 1.0 / (1.0 + ( pow ((distance/4.0), 2.0)));
+				dist_from_Ca_atoms[i].push_back(ScalD);
+				if (verbose)
+				cout << dist_from_Ca_atoms[i].back() << endl;
+			}
+
+			//cout << "GRAndezza vettore " << dist_from_Ca_atoms[0].size() << endl;
+
+			CaVector1.clear();
+			CaVector2.clear();
+
+		}
+
+
+
+			int count;
+			double sum;
+			for (unsigned int i = 0; i < num_atomi; i++) {
+				count=0;
+				sum=0;
+				cout << "Grandezza vettore " << dist_from_Ca_atoms[0].size() << endl;
+				vector<double>::iterator atom = dist_from_Ca_atoms[i].begin();
+				while (atom != dist_from_Ca_atoms[i].end()){
+
+					sum = sum + (*atom);
+
+					atom++;
+					count++;
+				}
+				//cout << "SOMMA " << sum << " COUNT " << count << endl;
+				ScD.push_back((sum / count));
+				cout << "media per il " << i << " atomo = " << ScD.back() << endl;
+
+
+			}
+
+
+
+				double standDev=-1;
+
+				cout << "#############################" << endl;
+
+				vector<double>::iterator everage = ScD.begin();
+
+				for (unsigned int i = 0; i < num_atomi; i++) {
+					sum=0;
+					count=0;
+					vector<double>::iterator atom = dist_from_Ca_atoms[i].begin();
+
+
+					while (atom != dist_from_Ca_atoms[i].end()){
+						cout << "Stampo distanza fra atomi " << *atom << endl;
+						sum += (pow ( ((*atom) - (*everage) ) , 2.0 ));
+								atom++;
+								count++;
+
+					}
+
+					standDev = sqrt(sum / count);
+
+					cout << "sum : " << sum << " COUNT " << count << endl;
+
+					cout << "media : " << *everage << endl;
+					cout << "DEVSTADARD per il " << i << " atomo = " << standDev << endl;
+					*everage = standDev;
+
+					everage++;
+
+
+				}
+
+
+
+	return ScD;
+}
diff --git a/Mobi/Sources/ScaleDistance.h b/Mobi/Sources/StandardDeviation.h
similarity index 81%
rename from Mobi/Sources/ScaleDistance.h
rename to Mobi/Sources/StandardDeviation.h
index ac14e06..05ee50f 100644
--- a/Mobi/Sources/ScaleDistance.h
+++ b/Mobi/Sources/StandardDeviation.h
@@ -18,8 +18,8 @@
  * @version 0.1
  */
 
-#ifndef MOBI_SOURCES_SCALEDISTANCE_H_
-#define MOBI_SOURCES_SCALEDISTANCE_H_
+#ifndef MOBI_SOURCES_STANDARDDEVIATION_H_
+#define MOBI_SOURCES_STANDARDDEVIATION_H_
 
 #include<ProteinModels.h>
 #include<AtomCode.h>
@@ -34,14 +34,14 @@ namespace Mobi {
  * @brief Extends Protein class with functionalities related to manipulation of NMR model and models comparations.
  * Scale Distance metric is provided.
  */
-class ScaleDistance {
+class StandardDeviation {
 
 public:
 
 	// CONSTRUCTORS/DESTRUCTOR:
-	ScaleDistance(const ProteinModels& _orig, bool _standardDeviation = false , bool _verbose = false);
+	StandardDeviation(const ProteinModels& _orig , bool _verbose = false);
 
-	virtual ~ScaleDistance();
+	virtual ~StandardDeviation();
 
 
 	vector <double> get_ScalDist();
@@ -51,7 +51,7 @@ class ScaleDistance {
 
 
 private:
-	bool standardDev,verbose;
+	bool verbose;
 	vector <Spacer> models;
 	vector <Atom> CaVector1, CaVector2;
 	vector < vector<double> > dist_from_Ca_atoms;
@@ -61,4 +61,4 @@ class ScaleDistance {
 }
 }
 
-#endif /* MOBI_SOURCES_SCALEDISTANCE_H_ */
+#endif /* MOBI_SOURCES_STANDARDDEVIATION_H_ */
diff --git a/Mobi/Sources/TmScore.cc b/Mobi/Sources/TmScore.cc
index e234edf..17400bf 100644
--- a/Mobi/Sources/TmScore.cc
+++ b/Mobi/Sources/TmScore.cc
@@ -194,7 +194,6 @@ Protein* TmScore::TmImpose(string modelFile, string nativeFile) {
 
 
 
-
 				}
 			}
 		} else
diff --git a/Mobi/Sources/TmScore.o b/Mobi/Sources/TmScore.o
index b14685c0df222854975b2db1bbcc7effffb95215..0a816dcbb284f259a5abb07e3f40fe0c96b334ca 100644
GIT binary patch
delta 27
jcmbQx$26gjX~P;O#?zbEGCdV#JTZAKQ|V?7Nsc@KotO%d

delta 27
jcmbQx$26gjX~P;O#xtAOGCdV#JUMwSQ|V?7Nsc@KowEv)


From b7e67cf50170ee9b87e44204761e31e2ff6f5eb0 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Tue, 21 Jul 2015 15:29:46 +0200
Subject: [PATCH 18/61] media e standard deviation

---
 Mobi/APPS/mobi.cc                 |  13 ++-
 Mobi/APPS/mobi.o                  | Bin 28656 -> 29512 bytes
 Mobi/Sources/StandardDeviation.cc | 113 +++++++++++++++++------
 Mobi/Sources/StandardDeviation.h  |   5 +-
 Mobi/Sources/TmScore.cc           | 148 ------------------------------
 Mobi/Sources/TmScore.o            | Bin 34576 -> 34576 bytes
 6 files changed, 99 insertions(+), 180 deletions(-)

diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index 905b3bc..df54afa 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -167,9 +167,20 @@ int main(int argc, char* argv[]) {
 	StandardDeviation std(prot, v);
 
 	vector<double> SD;
+	vector<double> EVERAGE;
 
-	SD = std.get_ScalDist();
+	EVERAGE = std.get_everage_distance();
 
+	cout << "EVERAGE" << endl;
+		for (vector<double>::iterator everage = EVERAGE.begin(); everage != EVERAGE.end();
+				everage++) {
+			cout << *everage << endl;
+
+		}
+
+	SD = std.get_standard_deviation();
+
+	cout << "STANDARD DEVIATION" << endl;
 	for (vector<double>::iterator everage = SD.begin(); everage != SD.end();
 			everage++) {
 		cout << *everage << endl;
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index f0ed4dc35033d24d794eb880db626d762e2829f1..0d5933c3989c65afc5fe940476a2730d6b47ca84 100644
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diff --git a/Mobi/Sources/StandardDeviation.cc b/Mobi/Sources/StandardDeviation.cc
index a0933f9..88cc330 100644
--- a/Mobi/Sources/StandardDeviation.cc
+++ b/Mobi/Sources/StandardDeviation.cc
@@ -40,9 +40,87 @@ void StandardDeviation::getCaAtom(Spacer* s, bool flag) {
 
 }
 
+vector <double> StandardDeviation::get_everage_distance(){
+
+	dist_everage.clear();
+
+	Spacer* primo_modello = new Spacer;
+	Spacer* secondo_modello = new Spacer;
+
+			unsigned int num_atomi = 0;
+			double ScalD, distance= -1.0;
+
+			if (models.size() != 0)
+				num_atomi = models[0].sizeAmino();
+			else
+				ERROR("Nessun modello presente nella proteina", exception);
+
+
+
+
+			vector<vector<double> > dist_from_Ca_atoms(num_atomi,
+					vector<double>(0.0));
+
+
+
+			if (verbose){
+				cout << "Numero di modelli presenti: " << models.size() << endl;
+				cout << "Ogni modello ha un numero di atomi pari a: " << num_atomi << endl;
+			}
+			//scorro i modelli e per ognuno creo il vettore di atomi
+			unsigned int u = 0;
+
+			while (u < (models.size())) {
+
+				primo_modello = &models[u];
+				getCaAtom(primo_modello, true);
+				u++;
+
+				secondo_modello = &models[u];
+				getCaAtom(secondo_modello, false);
+				u++;
+
+
+				for (unsigned int i = 0; i < num_atomi; i++) {
+					distance = CaVector1[i].distance(CaVector2[i]);
+					ScalD = 1.0 / (1.0 + ( pow ((distance/4.0), 2.0)));
+					dist_from_Ca_atoms[i].push_back(ScalD);
+					}
+
+
+				CaVector1.clear();
+				CaVector2.clear();
+
+			}
 
 
-vector <double> StandardDeviation::get_ScalDist(){
+
+				int count;
+				double sum;
+				for (unsigned int i = 0; i < num_atomi; i++) {
+					count=0;
+					sum=0;
+					vector<double>::iterator atom = dist_from_Ca_atoms[i].begin();
+					while (atom != dist_from_Ca_atoms[i].end()){
+
+						sum = sum + (*atom);
+
+						atom++;
+						count++;
+					}
+					dist_everage.push_back((sum / count));
+
+
+				}
+
+return dist_everage;
+
+}
+
+vector <double> StandardDeviation::get_standard_deviation(){
+
+	dist_everage.clear();
+	ScD.clear();
 
 	Spacer* primo_modello = new Spacer;
 		Spacer* secondo_modello = new Spacer;
@@ -61,7 +139,6 @@ vector <double> StandardDeviation::get_ScalDist(){
 		vector<vector<double> > dist_from_Ca_atoms(num_atomi,
 				vector<double>(0.0));
 
-		cout << "################# " << dist_from_Ca_atoms.size() << "   " << dist_from_Ca_atoms[0].size() << endl;
 
 
 		if (verbose){
@@ -72,36 +149,22 @@ vector <double> StandardDeviation::get_ScalDist(){
 		unsigned int u = 0;
 
 		while (u < (models.size())) {
-			//if (verbose)
-			//cout << "#modello numero: " << u << endl;
-			if (verbose)
-					cout << "#Distanza tra modello: " << u;
 
 			primo_modello = &models[u];
 			getCaAtom(primo_modello, true);
 			u++;
-			//if (verbose)
-			//cout << "#modello numero: " << u << endl;
-
-			if (verbose)
-							cout << " e modello: " << u << endl;
 
 			secondo_modello = &models[u];
 			getCaAtom(secondo_modello, false);
 			u++;
 
 
-			//cout << "GRandezza vettore " << dist_from_Ca_atoms[0].size() << endl;
-
 			for (unsigned int i = 0; i < num_atomi; i++) {
 				distance = CaVector1[i].distance(CaVector2[i]);
 				ScalD = 1.0 / (1.0 + ( pow ((distance/4.0), 2.0)));
 				dist_from_Ca_atoms[i].push_back(ScalD);
-				if (verbose)
-				cout << dist_from_Ca_atoms[i].back() << endl;
-			}
+				}
 
-			//cout << "GRAndezza vettore " << dist_from_Ca_atoms[0].size() << endl;
 
 			CaVector1.clear();
 			CaVector2.clear();
@@ -115,7 +178,6 @@ vector <double> StandardDeviation::get_ScalDist(){
 			for (unsigned int i = 0; i < num_atomi; i++) {
 				count=0;
 				sum=0;
-				cout << "Grandezza vettore " << dist_from_Ca_atoms[0].size() << endl;
 				vector<double>::iterator atom = dist_from_Ca_atoms[i].begin();
 				while (atom != dist_from_Ca_atoms[i].end()){
 
@@ -124,9 +186,7 @@ vector <double> StandardDeviation::get_ScalDist(){
 					atom++;
 					count++;
 				}
-				//cout << "SOMMA " << sum << " COUNT " << count << endl;
-				ScD.push_back((sum / count));
-				cout << "media per il " << i << " atomo = " << ScD.back() << endl;
+				dist_everage.push_back((sum / count));
 
 
 			}
@@ -135,9 +195,8 @@ vector <double> StandardDeviation::get_ScalDist(){
 
 				double standDev=-1;
 
-				cout << "#############################" << endl;
 
-				vector<double>::iterator everage = ScD.begin();
+				vector<double>::iterator everage = dist_everage.begin();
 
 				for (unsigned int i = 0; i < num_atomi; i++) {
 					sum=0;
@@ -146,7 +205,6 @@ vector <double> StandardDeviation::get_ScalDist(){
 
 
 					while (atom != dist_from_Ca_atoms[i].end()){
-						cout << "Stampo distanza fra atomi " << *atom << endl;
 						sum += (pow ( ((*atom) - (*everage) ) , 2.0 ));
 								atom++;
 								count++;
@@ -155,11 +213,7 @@ vector <double> StandardDeviation::get_ScalDist(){
 
 					standDev = sqrt(sum / count);
 
-					cout << "sum : " << sum << " COUNT " << count << endl;
-
-					cout << "media : " << *everage << endl;
-					cout << "DEVSTADARD per il " << i << " atomo = " << standDev << endl;
-					*everage = standDev;
+					ScD.push_back(standDev);
 
 					everage++;
 
@@ -167,6 +221,5 @@ vector <double> StandardDeviation::get_ScalDist(){
 				}
 
 
-
 	return ScD;
 }
diff --git a/Mobi/Sources/StandardDeviation.h b/Mobi/Sources/StandardDeviation.h
index 05ee50f..970b8ee 100644
--- a/Mobi/Sources/StandardDeviation.h
+++ b/Mobi/Sources/StandardDeviation.h
@@ -44,7 +44,9 @@ class StandardDeviation {
 	virtual ~StandardDeviation();
 
 
-	vector <double> get_ScalDist();
+	vector <double> get_everage_distance();
+	vector <double> get_standard_deviation();
+
 
 private:
 	void getCaAtom (Spacer* s, bool flag);
@@ -55,6 +57,7 @@ class StandardDeviation {
 	vector <Spacer> models;
 	vector <Atom> CaVector1, CaVector2;
 	vector < vector<double> > dist_from_Ca_atoms;
+	vector <double> dist_everage;
 	vector <double> ScD;
 
 };
diff --git a/Mobi/Sources/TmScore.cc b/Mobi/Sources/TmScore.cc
index 17400bf..cce4e33 100644
--- a/Mobi/Sources/TmScore.cc
+++ b/Mobi/Sources/TmScore.cc
@@ -87,59 +87,6 @@ Protein* TmScore::TmImpose(string modelFile, string nativeFile) {
 					//////////////////////////////////////////////////////////////////////////
 					int status;
 
-//					ifstream inFile(nativeFile.c_str());
-//					ofstream out ((outputTmScore+"11111").c_str());
-//					stringstream buffer;
-//					string line;
-//
-//					if (verbose) {
-//						cout << "Conversione file native file per renderlo leggibile" << endl;
-//					}
-//					bool flag=false;
-//
-//					while (inFile) {
-//						line = readLine(inFile);
-//						if (line.substr(0, 6) == "ATOM  " && !flag) {
-//							buffer << "MODEL        1" << endl;
-//							out << "MODEL        1" << endl;
-//							buffer << line << endl;
-//							out << line << endl;
-//							flag=true;
-//							} else if (line.substr(0, 6) == "ATOM  " && flag) {
-//							buffer << line << endl;
-//							out << line << endl;
-//						} else if (line.substr(0, 3) == "TER") {
-//							buffer << line << endl;
-//							buffer << "ENDMDL" << endl;
-//							out << line << endl;
-//							out << "ENDMDL" << endl;
-//
-//							break;
-//						}
-//					}
-//					if (verbose) {
-//						cout << "Fine lettura file nativo" << endl;
-//					}
-//
-//					buffer.clear();
-//					out.close();
-//
-//					cout << "AAAAAAAAAAAAAAAAAAAAAAAA" << endl;
-//
-//					PdbLoader loader (buffer);
-//
-//				    if (!verbose)
-//				    	loader.setNoVerbose();
-//
-//				    loader.setModel(1);
-//				    cout << "BBBBBBBBBBBBBBBBBBBBBBBBBB" << endl;
-//				    loader.checkModel();
-//				    cout << "CCCCCCCCCCCCCCCCCCCCCCCCCCCCc" << endl;
-//					Protein temp;
-//					temp.load(loader);
-//					unsigned int d=0;
-//					sp[0]=*(temp.getSpacer(d));
-
 					wait(&status);
 
 					remove(outputTmScore.c_str());
@@ -203,98 +150,3 @@ Protein* TmScore::TmImpose(string modelFile, string nativeFile) {
 				exception);
 	return prot;
 }
-
-//void TmScore::TMImpose(ProteinModels& prot, unsigned int model, unsigned int native, ProteinModels** imposedModel) {
-//
-//	stringstream sstm;
-//	sstm << "TMScore between models " << model << " and " << native;
-//	DEBUG_MSG(sstm.str());
-//
-//	//Save spacers in pdb files
-//	std::ofstream fout;
-//	PdbSaver ps(fout);
-//	fout.open((tmp + TMTMP_IN1).c_str());
-//	ps.saveSpacer(prot.getModel(model));
-//	ps.endFile();
-//	fout.close();
-//	fout.open((tmp + TMTMP_IN2).c_str());
-//	ps.saveSpacer(prot.getModel(native));
-//	ps.endFile();
-//	fout.close();
-//
-//	//Call TMScore binary
-//	return TMImpose((tmp + TMTMP_IN1), (tmp + TMTMP_IN2), imposedModel);
-//}
-//
-//Spacer* TmScore::spacerFromTMOutput(string pdbFile) {
-//	if (access(pdbFile.c_str(), R_OK) != 0)
-//		ERROR("Cannot read pdb file to fix", exception);
-//
-//	ifstream inFile(pdbFile.c_str());
-//	stringstream buffer;
-//	string line;
-//	while (inFile) {
-//		line = readLine(inFile);
-//		if (line.substr(0, 16) == "REMARK  TM-score") {
-//			buffer << line << endl;
-//			if (line.substr(6, 8) == "TM-score")
-//				buffer << "MODEL        1" << endl;
-//		} else if (line.substr(0, 6) == "ATOM  ") {
-//			buffer << line << endl;
-//		} else if (line.substr(0, 3) == "TER") {
-//			buffer << line << endl;
-//			buffer << "ENDMDL" << endl;
-//			break;
-//		}
-//	}
-//	buffer.clear();
-//	buffer.seekg(0);
-//	//Load from memory buffer
-//	PdbLoader pl(buffer);
-//	if (!verbose)
-//		pl.setNoVerbose();
-//	//Load and return protein object
-//	//*imposedModel = new ProteinModels();
-//	pl.setModel(1);
-//	pl.checkModel();
-//	Protein prot;
-//	pl.loadProtein(prot);
-//	unsigned int d=0;
-//	return prot.getSpacer(d);
-//}
-
-//char buffer[2048];
-//					bool flag=true;
-//					//la read implementa un sync al suo interno, questo mi permette di aspettare l'output del figlio senza pensieri
-//					while(flag){
-//					int a=read(pipefd[0], buffer, sizeof(buffer));
-//					if ( a> 0) {
-//						if (this->verbose) cout << "Accesso alla read." <<endl;
-//						char * tok;
-//						tok = strtok(buffer, "\n\r");			//spezzetto la stringa in token
-//						while (tok != NULL) {
-//							//cerco il valore del tm score
-//							if (string(tok).find("TM-score") == 0)
-//								if (string(tok).find("=") > 0){
-//									//stringa valore TM-score
-//									score_tmp=string(tok).substr(string(tok).find("=") + 2,6);
-//									//converto in double il valore del TM-score
-//									score = std::strtod(score_tmp.c_str(), NULL);
-//									flag=false;
-//								}
-//							//termino ricerca
-//							tok = strtok(NULL, "\n\r");
-//						}
-//					}
-//					if (a == 0) {
-//						ERROR ("Connessione chiusa", exeption);
-//					}
-//					if (a == -1) {
-//						cout << "Errore nella read" << endl;
-//						strerror(errno);
-//					}
-////					if (score < 0)
-////						ERROR("TM-score failed or non recognised output",exception)
-////						else if (this->verbose) cout << "valore dello score: " << score <<endl;
-//				}
-//					if (this->verbose) cout << "valore dello score: " << score <<endl;
diff --git a/Mobi/Sources/TmScore.o b/Mobi/Sources/TmScore.o
index 0a816dcbb284f259a5abb07e3f40fe0c96b334ca..1c74c4b0ca365a4aa414d7d86d6d3faa63b104c6 100644
GIT binary patch
delta 50
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delta 50
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From 3d573f75d4609e078769c139fc5d9ea6dc1b2477 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Tue, 21 Jul 2015 17:52:28 +0200
Subject: [PATCH 19/61] calcolati angoli PHI e PSI (da verificare l'output).
 Media e deviazione standard sulle distanze ok.

---
 Mobi/APPS/mobi.cc                 | 107 +++++++++++++++++----------
 Mobi/APPS/mobi.o                  | Bin 29512 -> 23240 bytes
 Mobi/Sources/ProteinModels.cc     |  11 +++
 Mobi/Sources/ProteinModels.h      |   1 +
 Mobi/Sources/ProteinModels.o      | Bin 56536 -> 58392 bytes
 Mobi/Sources/StandardDeviation.cc | 116 +++++++++++++++++++++++++++++-
 Mobi/Sources/StandardDeviation.h  |   6 ++
 7 files changed, 201 insertions(+), 40 deletions(-)

diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index df54afa..23f21f4 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -95,6 +95,8 @@ int main(int argc, char* argv[]) {
 	PdbLoader pl(inFile);    // creates the PdbLoader object
 
 	ProteinModels prot;
+
+
 	// Protein prot;
 
 	if (v) {
@@ -132,60 +134,91 @@ int main(int argc, char* argv[]) {
 
 	/////////////////////////////////////////////////////////////////////
 
-	unsigned int d = 0;
+//	unsigned int d = 0;
+//
+//	TmScore tm("./Mobi/data/TMscore", outputFile, v);
+//
+//	Protein* traslata = new Protein();
+//
+//	for (unsigned int i = 0; i < prot.size()-1; i++)
+//		for (unsigned int j = i+1; j < prot.size(); j++)
+//			{
+//				if (v)
+//					cout << "\n Lettura proteine da traslare:\n "
+//							<< outputFile + (itosDEF(i))
+//							<< outputFile + (itosDEF(j)) << endl;
+//				traslata = tm.TmImpose(outputFile + (itosDEF(i)),
+//						outputFile + (itosDEF(j)));
+//				if (traslata != NULL) {
+//
+//					prot.addModels(*(traslata->getSpacer(d)));
+//				} else
+//					ERROR("Errore nella creazione della proteina traslata",
+//							exeption);
+//				if (v)
+//					cout << "\n ###Caricamento proteina modello### " << endl;
+//
+//				prot.addModels(*(prot.getSpacer(j)));
+//
+//
+//			}
+//
+//  prot.printModels(outputFile);
+//
+//	StandardDeviation std(prot, v);
+//	vector<double> SD;
+//
+//	vector<double> EVERAGE;
+//
+//	EVERAGE = std.get_everage_distance();
+//
+//	cout << "EVERAGE" << endl;
+//		for (vector<double>::iterator everage = EVERAGE.begin(); everage != EVERAGE.end();
+//				everage++) {
+//			cout << *everage << endl;
+//
+//		}
+//
+//
+//	SD = std.get_standard_deviation();
+//	cout << "STANDARD DEVIATION" << endl;
+//	for (vector<double>::iterator walk = SD.begin(); walk != SD.end();
+//			walk++) {
+//		cout << *walk << endl;
+//	}
+
 
-	TmScore tm("./Mobi/data/TMscore", outputFile, v);
+///////////////////////////////////////////////////
 
-	Protein* traslata = new Protein();
 
-	for (unsigned int i = 0; i < prot.size()-1; i++)
-		for (unsigned int j = i+1; j < prot.size(); j++)
-			{
-				if (v)
-					cout << "\n Lettura proteine da traslare:\n "
-							<< outputFile + (itosDEF(i))
-							<< outputFile + (itosDEF(j)) << endl;
-				traslata = tm.TmImpose(outputFile + (itosDEF(i)),
-						outputFile + (itosDEF(j)));
-				if (traslata != NULL) {
 
-					prot.addModels(*(traslata->getSpacer(d)));
-				} else
-					ERROR("Errore nella creazione della proteina traslata",
-							exeption);
-				if (v)
-					cout << "\n ###Caricamento proteina modello### " << endl;
 
-				prot.addModels(*(prot.getSpacer(j)));
+	StandardDeviation std(prot, v);
 
+	vector<double> ANGLE_PHI;
+	ANGLE_PHI=std.get_StandarDev_angle_PHI();
 
-			}
 
+	cout << "STANDARD DEVIATION" << endl;
+	for (vector<double>::iterator walk = ANGLE_PHI.begin(); walk != ANGLE_PHI.end();
+			walk++) {
+		cout << *walk << endl;
 
-	//prot.printModels(outputFile);
+	}
 
-	StandardDeviation std(prot, v);
 
-	vector<double> SD;
-	vector<double> EVERAGE;
+	vector<double> ANGLE_PSI;
+		ANGLE_PSI=std.get_StandarDev_angle_PSI();
 
-	EVERAGE = std.get_everage_distance();
 
-	cout << "EVERAGE" << endl;
-		for (vector<double>::iterator everage = EVERAGE.begin(); everage != EVERAGE.end();
-				everage++) {
-			cout << *everage << endl;
+		cout << "STANDARD DEVIATION" << endl;
+		for (vector<double>::iterator walk = ANGLE_PSI.begin(); walk != ANGLE_PSI.end();
+				walk++) {
+			cout << *walk << endl;
 
 		}
 
-	SD = std.get_standard_deviation();
 
-	cout << "STANDARD DEVIATION" << endl;
-	for (vector<double>::iterator everage = SD.begin(); everage != SD.end();
-			everage++) {
-		cout << *everage << endl;
-
-	}
 
 	return 0;
 }
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
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diff --git a/Mobi/Sources/ProteinModels.cc b/Mobi/Sources/ProteinModels.cc
index e921dc4..268d9dc 100644
--- a/Mobi/Sources/ProteinModels.cc
+++ b/Mobi/Sources/ProteinModels.cc
@@ -34,6 +34,11 @@ void ProteinModels::load(PdbLoader& pl) {
 		pl.checkModel();
 		this->Protein::load(pl);
 	}
+
+	for (unsigned int i = 0; i < this->size(); i++)
+		original_models.push_back(*(this->getSpacer(i)));
+
+
 	if (verbose)
 	 		 cout << "\n" << "Modelli caricati nella proteina" << endl;
 
@@ -90,6 +95,12 @@ void ProteinModels::loadSameModels(PdbLoader& pl){
  		    	 pl.checkModel();
  		    	 this->Protein::load(pl);          // creates the Protein object
  		     }
+
+ 		for (unsigned int i = 0; i < this->size(); i++)
+ 				original_models.push_back(*(this->getSpacer(i)));
+
+
+
  		 if (verbose)
  		 cout << "\n" << "Modelli caricati nella proteina" << endl;
 
diff --git a/Mobi/Sources/ProteinModels.h b/Mobi/Sources/ProteinModels.h
index 56b5f02..c8626e9 100644
--- a/Mobi/Sources/ProteinModels.h
+++ b/Mobi/Sources/ProteinModels.h
@@ -72,6 +72,7 @@ class ProteinModels : public Protein{
 	bool verbose;
 
 public:
+	vector <Spacer> original_models;
 	vector <Spacer> models;
 
 };
diff --git a/Mobi/Sources/ProteinModels.o b/Mobi/Sources/ProteinModels.o
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diff --git a/Mobi/Sources/StandardDeviation.cc b/Mobi/Sources/StandardDeviation.cc
index 88cc330..b960638 100644
--- a/Mobi/Sources/StandardDeviation.cc
+++ b/Mobi/Sources/StandardDeviation.cc
@@ -11,7 +11,7 @@ using namespace Victor::Mobi;
 using namespace Victor::Biopool;
 
 StandardDeviation::StandardDeviation(const ProteinModels& modelli ,bool verbose) :
-	 verbose(verbose), models(modelli.models) {}
+	 verbose(verbose), original_models(modelli.original_models) ,models(modelli.models) {}
 
 StandardDeviation::~StandardDeviation() {
 }
@@ -53,7 +53,7 @@ vector <double> StandardDeviation::get_everage_distance(){
 			if (models.size() != 0)
 				num_atomi = models[0].sizeAmino();
 			else
-				ERROR("Nessun modello presente nella proteina", exception);
+				ERROR("Nessun modello presente nella proteina, si ricorda di eseguire TmImpose.", exception);
 
 
 
@@ -131,7 +131,7 @@ vector <double> StandardDeviation::get_standard_deviation(){
 		if (models.size() != 0)
 			num_atomi = models[0].sizeAmino();
 		else
-			ERROR("Nessun modello presente nella proteina", exception);
+			ERROR("Nessun modello presente nella proteina, si ricorda di eseguire TmImpose.", exception);
 
 
 
@@ -223,3 +223,113 @@ vector <double> StandardDeviation::get_standard_deviation(){
 
 	return ScD;
 }
+
+
+vector<double> StandardDeviation::get_StandarDev_angle_PHI() {
+
+	double num_amino = 0;
+	double sum = 0;
+
+	//cout << "modelli"  << original_models.size()  << "aminoacidi" << original_models[0].sizeAmino() << endl;
+
+	if (original_models.size() < 2)
+		ERROR("Modelli insufficienti", exception)
+	else
+		num_amino = original_models[0].sizeAmino();
+
+	angle_PHI.clear();
+	vector<vector<double> > misure_PHI(num_amino,
+			vector<double>(original_models.size()));
+	vector<double> everage(num_amino);
+
+//calcolo angoli
+	for (unsigned int i = 0; i < original_models.size(); i++)
+		for (unsigned int j = 0; j < num_amino; j++)
+			misure_PHI[j][i] = original_models[i].getAmino(j).getPhi();
+
+//calcolo media angoli
+	for (unsigned int j = 0; j < num_amino; j++) {
+		sum = 0;
+
+		for (unsigned int i = 0; i < original_models.size(); i++) {
+			sum = sum + misure_PHI[j][i];
+		}
+
+		everage[j] = (sum / (original_models.size()));
+
+	}
+
+	//calcolo stadDev
+	double standDev = -1;
+
+	for (unsigned int j = 0; j < num_amino; j++) {
+		sum = 0;
+		for (unsigned int i = 0; i < original_models.size(); i++) {
+
+			sum += (pow((misure_PHI[j][i] - everage[j]), 2.0));
+		}
+
+		standDev = sqrt(sum / original_models.size());
+		angle_PHI.push_back(standDev);
+	}
+
+	return angle_PHI;
+
+}
+
+
+vector<double> StandardDeviation::get_StandarDev_angle_PSI() {
+
+	double num_amino = 0;
+	double sum = 0;
+
+	//cout << "modelli"  << original_models.size()  << "aminoacidi" << original_models[0].sizeAmino() << endl;
+
+	if (original_models.size() < 2)
+		ERROR("Modelli insufficienti", exception)
+	else
+		num_amino = original_models[0].sizeAmino();
+
+	angle_PSI.clear();
+	vector<vector<double> > misure_PSI(num_amino,
+			vector<double>(original_models.size()));
+	vector<double> everage(num_amino);
+
+//calcolo angoli
+	for (unsigned int i = 0; i < original_models.size(); i++)
+		for (unsigned int j = 0; j < num_amino; j++)
+			misure_PSI[j][i] = original_models[i].getAmino(j).getPsi();
+
+//calcolo media angoli
+	for (unsigned int j = 0; j < num_amino; j++) {
+		sum = 0;
+
+		for (unsigned int i = 0; i < original_models.size(); i++) {
+			sum = sum + misure_PSI[j][i];
+		}
+
+		everage[j] = (sum / (original_models.size()));
+
+	}
+
+	//calcolo stadDev
+	double standDev = -1;
+
+	for (unsigned int j = 0; j < num_amino; j++) {
+		sum = 0;
+		for (unsigned int i = 0; i < original_models.size(); i++) {
+
+			sum += (pow((misure_PSI[j][i] - everage[j]), 2.0));
+		}
+
+		standDev = sqrt(sum / original_models.size());
+		angle_PSI.push_back(standDev);
+	}
+
+	return angle_PSI;
+
+}
+
+
+
+
diff --git a/Mobi/Sources/StandardDeviation.h b/Mobi/Sources/StandardDeviation.h
index 970b8ee..b9f9237 100644
--- a/Mobi/Sources/StandardDeviation.h
+++ b/Mobi/Sources/StandardDeviation.h
@@ -46,6 +46,8 @@ class StandardDeviation {
 
 	vector <double> get_everage_distance();
 	vector <double> get_standard_deviation();
+	vector <double> get_StandarDev_angle_PHI();
+	vector <double> get_StandarDev_angle_PSI();
 
 
 private:
@@ -54,11 +56,15 @@ class StandardDeviation {
 
 private:
 	bool verbose;
+	vector <Spacer> original_models;
 	vector <Spacer> models;
 	vector <Atom> CaVector1, CaVector2;
 	vector < vector<double> > dist_from_Ca_atoms;
 	vector <double> dist_everage;
 	vector <double> ScD;
+	vector <double> angle_PHI;
+	vector <double> angle_PSI;
+
 
 };
 }

From 0ddfb32620e8c40792b3a7485f3e4aae4c69ce9c Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Tue, 21 Jul 2015 18:31:52 +0200
Subject: [PATCH 20/61] aggiunto metodo remove file e fatta un po di pulizia su
 output

---
 Mobi/APPS/mobi.cc             | 122 ++++++++++++++++------------------
 Mobi/APPS/mobi.o              | Bin 23240 -> 27552 bytes
 Mobi/Sources/ProteinModels.cc |  27 +++++++-
 Mobi/Sources/ProteinModels.h  |   1 +
 Mobi/Sources/ProteinModels.o  | Bin 58392 -> 62568 bytes
 Mobi/Sources/TmScore.cc       |  20 ++----
 Mobi/Sources/TmScore.o        | Bin 34576 -> 32424 bytes
 7 files changed, 88 insertions(+), 82 deletions(-)

diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index 23f21f4..5ae51d2 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -134,91 +134,85 @@ int main(int argc, char* argv[]) {
 
 	/////////////////////////////////////////////////////////////////////
 
-//	unsigned int d = 0;
-//
-//	TmScore tm("./Mobi/data/TMscore", outputFile, v);
-//
-//	Protein* traslata = new Protein();
-//
-//	for (unsigned int i = 0; i < prot.size()-1; i++)
-//		for (unsigned int j = i+1; j < prot.size(); j++)
-//			{
-//				if (v)
-//					cout << "\n Lettura proteine da traslare:\n "
-//							<< outputFile + (itosDEF(i))
-//							<< outputFile + (itosDEF(j)) << endl;
-//				traslata = tm.TmImpose(outputFile + (itosDEF(i)),
-//						outputFile + (itosDEF(j)));
-//				if (traslata != NULL) {
-//
-//					prot.addModels(*(traslata->getSpacer(d)));
-//				} else
-//					ERROR("Errore nella creazione della proteina traslata",
-//							exeption);
-//				if (v)
-//					cout << "\n ###Caricamento proteina modello### " << endl;
-//
-//				prot.addModels(*(prot.getSpacer(j)));
-//
-//
-//			}
-//
-//  prot.printModels(outputFile);
-//
-//	StandardDeviation std(prot, v);
-//	vector<double> SD;
-//
-//	vector<double> EVERAGE;
-//
-//	EVERAGE = std.get_everage_distance();
-//
-//	cout << "EVERAGE" << endl;
-//		for (vector<double>::iterator everage = EVERAGE.begin(); everage != EVERAGE.end();
-//				everage++) {
-//			cout << *everage << endl;
-//
-//		}
-//
-//
-//	SD = std.get_standard_deviation();
-//	cout << "STANDARD DEVIATION" << endl;
-//	for (vector<double>::iterator walk = SD.begin(); walk != SD.end();
-//			walk++) {
-//		cout << *walk << endl;
-//	}
+	unsigned int d = 0;
 
+	TmScore tm("./Mobi/data/TMscore", outputFile, v);
 
-///////////////////////////////////////////////////
+	Protein* traslata = new Protein();
+
+	for (unsigned int i = 0; i < prot.size()-1; i++)
+		for (unsigned int j = i+1; j < prot.size(); j++)
+			{
+				traslata = tm.TmImpose(outputFile + (itosDEF(i)),
+						outputFile + (itosDEF(j)));
+				if (traslata != NULL) {
+
+					prot.addModels(*(traslata->getSpacer(d)));
+				} else
+					ERROR("Errore nella creazione della proteina traslata",
+							exeption);
 
+				prot.addModels(*(prot.getSpacer(j)));
 
 
+			}
+
+  //prot.printModels(outputFile);
 
 	StandardDeviation std(prot, v);
+	vector<double> SD;
+
+	vector<double> EVERAGE;
+
+	EVERAGE = std.get_everage_distance();
 
-	vector<double> ANGLE_PHI;
-	ANGLE_PHI=std.get_StandarDev_angle_PHI();
+	cout << "EVERAGE" << endl;
+		for (vector<double>::iterator everage = EVERAGE.begin(); everage != EVERAGE.end();
+				everage++) {
+			cout << *everage << endl;
+
+		}
 
 
+	SD = std.get_standard_deviation();
 	cout << "STANDARD DEVIATION" << endl;
-	for (vector<double>::iterator walk = ANGLE_PHI.begin(); walk != ANGLE_PHI.end();
+	for (vector<double>::iterator walk = SD.begin(); walk != SD.end();
 			walk++) {
 		cout << *walk << endl;
-
 	}
 
 
-	vector<double> ANGLE_PSI;
-		ANGLE_PSI=std.get_StandarDev_angle_PSI();
+///////////////////////////////////////////////////
 
 
-		cout << "STANDARD DEVIATION" << endl;
-		for (vector<double>::iterator walk = ANGLE_PSI.begin(); walk != ANGLE_PSI.end();
-				walk++) {
-			cout << *walk << endl;
 
-		}
 
+//	StandardDeviation std(prot, v);
+//
+//	vector<double> ANGLE_PHI;
+//	ANGLE_PHI=std.get_StandarDev_angle_PHI();
+//
+//
+//	cout << "STANDARD DEVIATION" << endl;
+//	for (vector<double>::iterator walk = ANGLE_PHI.begin(); walk != ANGLE_PHI.end();
+//			walk++) {
+//		cout << *walk << endl;
+//
+//	}
+//
+//
+//	vector<double> ANGLE_PSI;
+//		ANGLE_PSI=std.get_StandarDev_angle_PSI();
+//
+//
+//		cout << "STANDARD DEVIATION" << endl;
+//		for (vector<double>::iterator walk = ANGLE_PSI.begin(); walk != ANGLE_PSI.end();
+//				walk++) {
+//			cout << *walk << endl;
+//
+//		}
 
+	prot.remove(outputFile);
 
 	return 0;
 }
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index 5683a484eff99652c20ce2489af58c06be6a01c8..b3867014a8be28c503a9394d4741598f49f9bcdc 100644
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diff --git a/Mobi/Sources/ProteinModels.cc b/Mobi/Sources/ProteinModels.cc
index 268d9dc..00baccd 100644
--- a/Mobi/Sources/ProteinModels.cc
+++ b/Mobi/Sources/ProteinModels.cc
@@ -150,7 +150,7 @@ void ProteinModels::save(string outputFile){
 	PdbSaver ps(fout);
 
 	if (verbose)
-				cout << "Salvataggio dei modelli su file" << endl;
+				cout << "Salvataggio dei modelli su file..." << endl;
 	// Open the proper output stream (file or stdout)
 	for (unsigned int i = 0; i < this->size(); i++) {
 
@@ -171,8 +171,31 @@ void ProteinModels::save(string outputFile){
 		fout.close();
 
 		if (verbose)
-			cout << "file chiuso" << endl;
+			cout << "file chiuso." << endl;
 	}
+	if (verbose)
+				cout << " " << endl;
+
+}
+
+
+
+void ProteinModels::remove(string outputFile) {
+
+	string outputFile_1;
+
+	if (verbose)
+		cout << "Cancellazione file..." << endl;
+	// Open the proper output stream (file or stdout)
+	for (unsigned int i = 0; i < this->size(); i++) {
+
+		outputFile_1 = outputFile + (itosDEF(i)) + PDB;
+		if(std::remove(outputFile_1.c_str())!=0)
+			ERROR("File don't deleted! ",exception);
+
+	}
+	if (verbose)
+		cout << " " << endl;
 
 }
 
diff --git a/Mobi/Sources/ProteinModels.h b/Mobi/Sources/ProteinModels.h
index c8626e9..f4dab44 100644
--- a/Mobi/Sources/ProteinModels.h
+++ b/Mobi/Sources/ProteinModels.h
@@ -61,6 +61,7 @@ class ProteinModels : public Protein{
 	}
 
 	void save(string outputFile);
+	void remove(string outputFile);
 
 	Spacer getModel(unsigned u);
 	void addModels(Spacer& sp);
diff --git a/Mobi/Sources/ProteinModels.o b/Mobi/Sources/ProteinModels.o
index 351f74f24230acb4f81b0ae805bf89057e15834e..c7a59e0c07fc7b01de80b6451be1971a24f31daa 100644
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diff --git a/Mobi/Sources/TmScore.cc b/Mobi/Sources/TmScore.cc
index cce4e33..8763f42 100644
--- a/Mobi/Sources/TmScore.cc
+++ b/Mobi/Sources/TmScore.cc
@@ -58,8 +58,6 @@ Protein* TmScore::TmImpose(string modelFile, string nativeFile) {
 		//se l'eseguibile ha i permessi di esecuzione
 		if (access(binary.c_str(), X_OK) == 0) {
 			pid_t pid;
-			if (this->verbose)
-				cout << "Accesso consentito." << endl;
 			//Pipeing TMS output
 			int pipefd[2];
 			pipe(pipefd);
@@ -75,8 +73,6 @@ Protein* TmScore::TmImpose(string modelFile, string nativeFile) {
 					if (dup2(pipefd[1], 2) < 0)
 						ERROR("Unable to redirect error output TMScore", error);//stderr
 					close(pipefd[1]);						//close output pipe
-					if (this->verbose)
-						cout << "Eseguo TMScore" << endl;
 					if (execl(binary.c_str(), binary.c_str(), modelFile.c_str(),
 							nativeFile.c_str(), "-o", outputTmScore.c_str(),
 							NULL))
@@ -98,11 +94,6 @@ Protein* TmScore::TmImpose(string modelFile, string nativeFile) {
 					stringstream buffer;
 					string line;
 
-					if (verbose) {
-						cout
-								<< "Conversione file rototraslato per renderlo leggibile"
-								<< endl;
-					}
 					while (inFile) {
 						line = readLine(inFile);
 						if (line.substr(0, 16) == "REMARK  TM-score") {
@@ -117,25 +108,22 @@ Protein* TmScore::TmImpose(string modelFile, string nativeFile) {
 							break;
 						}
 					}
-					if (verbose) {
-						cout << "Fine lettura file rototraslato" << endl;
-					}
+
 
 					buffer.clear();
 
 					//Load from memory buffer
 					PdbLoader pl(buffer);
 
-					if (!verbose)
-						pl.setNoVerbose();
+
+					pl.setNoVerbose();
 
 					pl.setModel(1);
 					pl.checkModel();
 
 					prot = new Protein();
 
-					if (verbose)
-						cout << "### Caricamento proteina rototraslata ###" <<endl;
+
 
 					pl.loadProtein(*prot);
 
diff --git a/Mobi/Sources/TmScore.o b/Mobi/Sources/TmScore.o
index 1c74c4b0ca365a4aa414d7d86d6d3faa63b104c6..52c023803911d7086b30a41b11617b51a2ee3913 100644
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From 0fc6eff777c33d7b5a0deef3217d06ad86e48aaf Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Wed, 22 Jul 2015 16:38:33 +0200
Subject: [PATCH 21/61] =?UTF-8?q?Creata=20classe=20e=20funzionalit=C3=A0?=
 =?UTF-8?q?=20DSSP=20Secondary=20Structure.?=
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit

---
 Mobi/APPS/mobi.cc                  | 109 ++++++++++++++----------
 Mobi/APPS/mobi.o                   | Bin 27552 -> 22344 bytes
 Mobi/Sources/Makefile              |   4 +-
 Mobi/Sources/SecondaryStructure.cc | 131 +++++++++++++++++++++++++++++
 Mobi/Sources/SecondaryStructure.h  |  55 ++++++++++++
 5 files changed, 251 insertions(+), 48 deletions(-)
 create mode 100644 Mobi/Sources/SecondaryStructure.cc
 create mode 100644 Mobi/Sources/SecondaryStructure.h

diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index 5ae51d2..904dd72 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -26,6 +26,7 @@
 //
 // -----------------x-----------------------------------------------------------
 #include <ProteinModels.h>
+#include <SecondaryStructure.h>
 #include <TmScore.h>
 #include <string>
 #include <GetArg.h>
@@ -134,52 +135,52 @@ int main(int argc, char* argv[]) {
 
 	/////////////////////////////////////////////////////////////////////
 
-	unsigned int d = 0;
-
-	TmScore tm("./Mobi/data/TMscore", outputFile, v);
-
-	Protein* traslata = new Protein();
-
-	for (unsigned int i = 0; i < prot.size()-1; i++)
-		for (unsigned int j = i+1; j < prot.size(); j++)
-			{
-				traslata = tm.TmImpose(outputFile + (itosDEF(i)),
-						outputFile + (itosDEF(j)));
-				if (traslata != NULL) {
-
-					prot.addModels(*(traslata->getSpacer(d)));
-				} else
-					ERROR("Errore nella creazione della proteina traslata",
-							exeption);
-
-				prot.addModels(*(prot.getSpacer(j)));
-
-
-			}
-
-  //prot.printModels(outputFile);
-
-	StandardDeviation std(prot, v);
-	vector<double> SD;
-
-	vector<double> EVERAGE;
-
-	EVERAGE = std.get_everage_distance();
-
-	cout << "EVERAGE" << endl;
-		for (vector<double>::iterator everage = EVERAGE.begin(); everage != EVERAGE.end();
-				everage++) {
-			cout << *everage << endl;
-
-		}
-
-
-	SD = std.get_standard_deviation();
-	cout << "STANDARD DEVIATION" << endl;
-	for (vector<double>::iterator walk = SD.begin(); walk != SD.end();
-			walk++) {
-		cout << *walk << endl;
-	}
+//	unsigned int d = 0;
+//
+//	TmScore tm("./Mobi/data/TMscore", outputFile, v);
+//
+//	Protein* traslata = new Protein();
+//
+//	for (unsigned int i = 0; i < prot.size()-1; i++)
+//		for (unsigned int j = i+1; j < prot.size(); j++)
+//			{
+//				traslata = tm.TmImpose(outputFile + (itosDEF(i)),
+//						outputFile + (itosDEF(j)));
+//				if (traslata != NULL) {
+//
+//					prot.addModels(*(traslata->getSpacer(d)));
+//				} else
+//					ERROR("Errore nella creazione della proteina traslata",
+//							exeption);
+//
+//				prot.addModels(*(prot.getSpacer(j)));
+//
+//
+//			}
+//
+//  //prot.printModels(outputFile);
+//
+//	StandardDeviation std(prot, v);
+//	vector<double> SD;
+//
+//	vector<double> EVERAGE;
+//
+//	EVERAGE = std.get_everage_distance();
+//
+//	cout << "EVERAGE" << endl;
+//		for (vector<double>::iterator everage = EVERAGE.begin(); everage != EVERAGE.end();
+//				everage++) {
+//			cout << *everage << endl;
+//
+//		}
+//
+//
+//	SD = std.get_standard_deviation();
+//	cout << "STANDARD DEVIATION" << endl;
+//	for (vector<double>::iterator walk = SD.begin(); walk != SD.end();
+//			walk++) {
+//		cout << *walk << endl;
+//	}
 
 
 ///////////////////////////////////////////////////
@@ -212,6 +213,22 @@ int main(int argc, char* argv[]) {
 //
 //		}
 
+
+///////////////////////////////////////////////////////////////////////////////////
+
+	SecondaryStructure sstr (prot, v);
+
+	vector<char> MOB;
+	MOB = sstr.getMobilitySecondaryStructure();
+
+	cout << "\nSECONDARY STRUCTURE" << endl;
+	for (vector<char>::iterator walk = MOB.begin(); walk != MOB.end(); walk++) {
+		cout << *walk << " ";
+
+	}
+
+	cout << endl;
+
 	prot.remove(outputFile);
 
 	return 0;
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
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diff --git a/Mobi/Sources/Makefile b/Mobi/Sources/Makefile
index 328f02c..ffb8cc5 100644
--- a/Mobi/Sources/Makefile
+++ b/Mobi/Sources/Makefile
@@ -27,10 +27,10 @@ INC_PATH = -I. -I../../tools -I../../Biopool/Sources
 #
  
 
-SOURCES = 	 ProteinModels.cc	TmScore.cc	StandardDeviation.cc
+SOURCES = 	 ProteinModels.cc	TmScore.cc	StandardDeviation.cc	SecondaryStructure.cc
 
 
-OBJECTS = 	 ProteinModels.o	TmScore.o	StandardDeviation.o
+OBJECTS = 	 ProteinModels.o	TmScore.o	StandardDeviation.o	SecondaryStructure.o
 
 
 TARGETS =   
diff --git a/Mobi/Sources/SecondaryStructure.cc b/Mobi/Sources/SecondaryStructure.cc
new file mode 100644
index 0000000..5c5f356
--- /dev/null
+++ b/Mobi/Sources/SecondaryStructure.cc
@@ -0,0 +1,131 @@
+/*
+ * SecondaryStructure.cc
+ *
+ *  Created on: 21 lug 2015
+ *      Author: riccardo
+ */
+
+
+#include "SecondaryStructure.h"
+
+using namespace Victor;
+using namespace Victor::Mobi;
+using namespace Victor::Biopool;
+
+SecondaryStructure::SecondaryStructure(const ProteinModels& modelli ,bool verbose) :
+	 verbose(verbose), models(modelli.original_models) {}
+
+SecondaryStructure::~SecondaryStructure() {}
+
+
+
+vector<char> SecondaryStructure::getMobilitySecondaryStructure() {
+
+	mobility.clear();
+	unsigned int num_amino = 0;
+	if (models.size() != 0)
+		num_amino = models[0].sizeAmino();
+	else
+		ERROR(
+				"Nessun modello presente nella proteina, si ricorda di caricare dei modelli.",
+				exception);
+
+	//create a support vector to get secondary structure
+	vector<set<char> > vettore_di_supporto(num_amino, set<char>());
+
+	//create a vector for manipulated all amiocid's chars
+	vector<vector<char> > sec_Structures(num_amino,
+			vector<char>(models.size()));
+
+	if (verbose) {
+		cout << "\nStart procedure select secondary structure... " << endl;
+		cout << "Model size: " << models.size() << endl;
+	}
+	//per ogni modello
+	for (unsigned int i = 0; i < models.size(); i++) {
+
+		if (verbose)
+			cout << "Models number: " << i <<endl;
+		models[i].setDSSP(false);
+		vettore_di_supporto = models[i].getDSSP();
+		//cout << "support vector size: " << vettore_di_supporto.size() << endl;
+
+		//scorro il vettore di set
+		for (unsigned int j = 0; j < num_amino; j++) {
+			//mi tiro fuori il primo valore char e lo metto in un vettore di char
+			sec_Structures[j][i] = (*(vettore_di_supporto[j].begin()));
+			if (verbose)
+				cout << sec_Structures[j][i];
+		}
+		if (verbose)
+		cout  << endl;
+	}
+
+
+
+
+
+
+		char test;
+		bool flag;
+
+		for (unsigned int i = 0; i < num_amino; i++) {
+
+			test = sec_Structures[i][0];
+			flag = true;
+
+			//se la prima lettera è vuota oppure è una S
+
+			if ((test != 'G') && (test != 'H') && (test != 'I') && (test != 'T')
+					&& (test != 'E') && (test != 'B')) {
+				//verifico che siano tutte S e/o vuote
+
+				for (unsigned int j = 0; j < models.size(); j++) {
+
+					if ((sec_Structures[i][j] != 'G')
+							&& (sec_Structures[i][j] != 'H')
+							&& (sec_Structures[i][j] != 'I')
+							&& (sec_Structures[i][j] != 'T')
+							&& (sec_Structures[i][j] != 'E')
+							&& (sec_Structures[i][j] != 'B')) {
+					} else {
+
+						mobility.push_back('M');
+						flag = false;
+						break;
+
+					}
+
+				}
+				if (flag) {
+					mobility.push_back('c');
+				}
+				//la prima lettera è una lettera di struttura
+			} else {
+
+				//verifico che siano tutte uguali a test
+				for (unsigned int j = 0; j < models.size(); j++) {
+
+					if ((sec_Structures[i][j] == test)) {
+					} else {
+
+						mobility.push_back('M');
+						flag = false;
+						break;
+
+					}
+
+				}
+				if (flag) {
+					mobility.push_back('.');
+				}
+
+			}
+
+		}
+
+
+
+	return mobility;
+}
+
diff --git a/Mobi/Sources/SecondaryStructure.h b/Mobi/Sources/SecondaryStructure.h
new file mode 100644
index 0000000..37c6055
--- /dev/null
+++ b/Mobi/Sources/SecondaryStructure.h
@@ -0,0 +1,55 @@
+/* This file is part of Victor
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+ You should have received a copy of the GNU General Public License
+ along with Victor. If not, see <http://www.gnu.org/licenses/>.
+ */
+
+/**
+ * @file SecondaryStructure.h
+ * @author Riccardo Zanella
+ * @date 21 lug 2015
+ * @version 0.1
+ */
+
+/*
+ * SecondaryStructure.h
+ *
+ *  Created on: 21 lug 2015
+ *      Author: riccardo
+ */
+
+#ifndef MOBI_SOURCES_SECONDARYSTRUCTURE_H_
+#define MOBI_SOURCES_SECONDARYSTRUCTURE_H_
+
+
+#include<ProteinModels.h>
+
+
+using namespace Victor::Biopool;
+
+namespace Victor {
+namespace Mobi {
+
+class SecondaryStructure {
+public:
+	SecondaryStructure(const ProteinModels& _orig , bool _verbose = false);
+	virtual ~SecondaryStructure();
+
+	vector <char> getMobilitySecondaryStructure();
+
+private:
+	bool verbose;
+	vector <Spacer> models;
+	vector <char> mobility;
+
+};
+}
+}
+#endif /* MOBI_SOURCES_SECONDARYSTRUCTURE_H_ */

From 77ea6ea94035044be513c5c6eddd9d854cc871c2 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Thu, 23 Jul 2015 12:25:30 +0200
Subject: [PATCH 22/61] creazione classe MobiSaver

---
 Mobi/APPS/mobi.cc             |  26 +++++++-----
 Mobi/APPS/mobi.o              | Bin 22344 -> 24608 bytes
 Mobi/Sources/Makefile         |   4 +-
 Mobi/Sources/MobiSaver.cc     |  73 ++++++++++++++++++++++++++++++++++
 Mobi/Sources/MobiSaver.h      |  39 ++++++++++++++++++
 Mobi/Sources/ProteinModels.cc |  20 +++++++++-
 Mobi/Sources/ProteinModels.h  |   1 +
 Mobi/Sources/ProteinModels.o  | Bin 62568 -> 71816 bytes
 8 files changed, 150 insertions(+), 13 deletions(-)
 create mode 100644 Mobi/Sources/MobiSaver.cc
 create mode 100644 Mobi/Sources/MobiSaver.h

diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index 904dd72..35a4a3f 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -26,6 +26,7 @@
 //
 // -----------------x-----------------------------------------------------------
 #include <ProteinModels.h>
+#include <MobiSaver.h>
 #include <SecondaryStructure.h>
 #include <TmScore.h>
 #include <string>
@@ -216,18 +217,25 @@ int main(int argc, char* argv[]) {
 
 ///////////////////////////////////////////////////////////////////////////////////
 
-	SecondaryStructure sstr (prot, v);
-
-	vector<char> MOB;
-	MOB = sstr.getMobilitySecondaryStructure();
+//	SecondaryStructure sstr (prot, v);
+//
+//	vector<char> MOB;
+//	MOB = sstr.getMobilitySecondaryStructure();
+//
+//	cout << "\nSECONDARY STRUCTURE" << endl;
+//	for (vector<char>::iterator walk = MOB.begin(); walk != MOB.end(); walk++) {
+//		cout << *walk << " ";
+//
+//	}
+//
+//	cout << endl;
 
-	cout << "\nSECONDARY STRUCTURE" << endl;
-	for (vector<char>::iterator walk = MOB.begin(); walk != MOB.end(); walk++) {
-		cout << *walk << " ";
 
-	}
+/////////////////////////////////////////////////////////////////////////////////////
 
-	cout << endl;
+    MobiSaver* saver = new MobiSaver(prot, outputFile, v);
+    saver->save_mob_everageScalD();
+    delete saver;
 
 	prot.remove(outputFile);
 
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
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diff --git a/Mobi/Sources/Makefile b/Mobi/Sources/Makefile
index ffb8cc5..f18271c 100644
--- a/Mobi/Sources/Makefile
+++ b/Mobi/Sources/Makefile
@@ -27,10 +27,10 @@ INC_PATH = -I. -I../../tools -I../../Biopool/Sources
 #
  
 
-SOURCES = 	 ProteinModels.cc	TmScore.cc	StandardDeviation.cc	SecondaryStructure.cc
+SOURCES = 	 ProteinModels.cc	TmScore.cc	StandardDeviation.cc	SecondaryStructure.cc	MobiSaver.cc
 
 
-OBJECTS = 	 ProteinModels.o	TmScore.o	StandardDeviation.o	SecondaryStructure.o
+OBJECTS = 	 ProteinModels.o	TmScore.o	StandardDeviation.o	SecondaryStructure.o	MobiSaver.o
 
 
 TARGETS =   
diff --git a/Mobi/Sources/MobiSaver.cc b/Mobi/Sources/MobiSaver.cc
new file mode 100644
index 0000000..5fe3f42
--- /dev/null
+++ b/Mobi/Sources/MobiSaver.cc
@@ -0,0 +1,73 @@
+/*
+ * MobiSaver.cc
+ *
+ *  Created on: 22 lug 2015
+ *      Author: riccardo
+ */
+
+#include "MobiSaver.h"
+
+
+
+using namespace Victor;
+using namespace Victor::Biopool;
+using namespace Victor::Mobi;
+
+const string OUT = "ResultMobi.fasta";
+
+MobiSaver::MobiSaver(ProteinModels prot, string output, bool verbose): Saver(), verbose(verbose) {
+	// TODO Auto-generated constructor stub
+
+	//Se il file non esiste lo creo inserendo la sequenza aminoacidica in testa altrimenti non creo nulla
+	out = output + OUT;
+
+	if (access(out.c_str(), F_OK) != 0){
+
+		if (verbose)
+				cout<<"\n ### Create fasta file in output ###"<<endl;
+
+		ofstream fout;			//stream in output
+		vector<char>::iterator walk = prot.sequence.begin();
+
+		fout.open(out.c_str());
+				if (!fout) {
+							ERROR("Error to create file!", error);
+						} else {
+							fout << "> sequence" << endl;
+							while (walk != prot.sequence.end()) {
+								fout << *(walk);
+								walk++;
+							}
+
+
+							fout.close();
+
+							if (verbose)
+								cout << "file success created!" << endl;
+						}
+
+	}
+
+
+}
+
+MobiSaver::~MobiSaver() {
+	// TODO Auto-generated destructor stub
+}
+
+
+
+void MobiSaver::save_mob_everageScalD (){
+
+	ofstream fout;			//stream in output
+
+
+	if (verbose)
+		cout<<"\n ###Salvataggio sul file della mobilità data la distanza media ###"<<endl;
+
+
+
+
+
+
+}
diff --git a/Mobi/Sources/MobiSaver.h b/Mobi/Sources/MobiSaver.h
new file mode 100644
index 0000000..096f222
--- /dev/null
+++ b/Mobi/Sources/MobiSaver.h
@@ -0,0 +1,39 @@
+/*
+ * MobiSaver.h
+ *
+ *  Created on: 22 lug 2015
+ *      Author: riccardo
+ */
+
+#ifndef MOBI_SOURCES_MOBISAVER_H_
+#define MOBI_SOURCES_MOBISAVER_H_
+
+#include <Saver.h>
+#include <ProteinModels.h>
+#include <vector>
+#include <iterator>
+#include <iostream>
+#include <fstream>
+#include <unistd.h>
+
+using namespace Victor::Biopool;
+
+namespace Victor {
+namespace Mobi {
+
+class MobiSaver : public Saver{
+public:
+	MobiSaver(ProteinModels __protein,string __output, bool __verbose = false);
+	virtual ~MobiSaver();
+
+
+	virtual void save_mob_everageScalD();
+
+private:
+	bool verbose;
+	string out;
+};
+}
+}
+
+#endif /* MOBI_SOURCES_MOBISAVER_H_ */
diff --git a/Mobi/Sources/ProteinModels.cc b/Mobi/Sources/ProteinModels.cc
index 00baccd..d781cfb 100644
--- a/Mobi/Sources/ProteinModels.cc
+++ b/Mobi/Sources/ProteinModels.cc
@@ -24,6 +24,9 @@ ProteinModels::~ProteinModels() {}
  * @return A pointer to the Spacer
  */
 void ProteinModels::load(PdbLoader& pl) {
+
+	unsigned int d=0;
+
 	if (!verbose)
 		pl.setNoVerbose();
 //Load Models
@@ -35,13 +38,21 @@ void ProteinModels::load(PdbLoader& pl) {
 		this->Protein::load(pl);
 	}
 
+	if (this->size()!=0){
+	//riempio il mio vettore dei modelli originali
 	for (unsigned int i = 0; i < this->size(); i++)
 		original_models.push_back(*(this->getSpacer(i)));
 
+	//riempio il mio vettore delle sequenze
+	for (unsigned int i = 0; i < this->getSpacer(d)->sizeAmino(); i++)
+			sequence.push_back(this->getSpacer(d)->getAmino(i).getType1L());
+
+
+
 
 	if (verbose)
 	 		 cout << "\n" << "Modelli caricati nella proteina" << endl;
-
+	}
 }
 
 
@@ -85,6 +96,7 @@ unsigned int ProteinModels::selectModels(PdbLoader& pl){
  */
 void ProteinModels::loadSameModels(PdbLoader& pl){
 
+		unsigned int d;
 		 unsigned int modelNum = selectModels(pl);
 
  		 for (unsigned int i=1; i<= modelNum; i++)
@@ -96,14 +108,18 @@ void ProteinModels::loadSameModels(PdbLoader& pl){
  		    	 this->Protein::load(pl);          // creates the Protein object
  		     }
 
+ 		 if (this->size()!=0){
  		for (unsigned int i = 0; i < this->size(); i++)
  				original_models.push_back(*(this->getSpacer(i)));
 
+ 		//riempio il mio vettore delle sequenze
+ 			for (unsigned int i = 0; i < this->getSpacer(d)->sizeAmino(); i++)
+ 					sequence.push_back(this->getSpacer(d)->getAmino(i).getType1L());
 
 
  		 if (verbose)
  		 cout << "\n" << "Modelli caricati nella proteina" << endl;
-
+ 		}
  }
 
 /*procedura che stampa su file il vettore di spacer*/
diff --git a/Mobi/Sources/ProteinModels.h b/Mobi/Sources/ProteinModels.h
index f4dab44..2dafa96 100644
--- a/Mobi/Sources/ProteinModels.h
+++ b/Mobi/Sources/ProteinModels.h
@@ -75,6 +75,7 @@ class ProteinModels : public Protein{
 public:
 	vector <Spacer> original_models;
 	vector <Spacer> models;
+	vector <char> sequence;
 
 };
 }
diff --git a/Mobi/Sources/ProteinModels.o b/Mobi/Sources/ProteinModels.o
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From a342a267107cc5f937f5728164777d23363b4072 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Thu, 23 Jul 2015 16:50:58 +0200
Subject: [PATCH 23/61] finita classe di salvataggio output finale, rivedere
 mob strct second

---
 Mobi/APPS/mobi.cc         | 117 ++++++++++++++-------------
 Mobi/APPS/mobi.o          | Bin 24608 -> 35504 bytes
 Mobi/Sources/MobiSaver.cc | 166 +++++++++++++++++++++++++++++++++++++-
 Mobi/Sources/MobiSaver.h  |   9 ++-
 4 files changed, 232 insertions(+), 60 deletions(-)

diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index 35a4a3f..d7ed822 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -120,6 +120,9 @@ int main(int argc, char* argv[]) {
 	} while ((strcmp(input.c_str(), "y")) != 0
 			&& (strcmp(input.c_str(), "n")) != 0); //(!cin.fail() && input != 'y' && input != 'n');
 
+	if (!v)
+			cout << "\nLOAD..." << endl;
+
 	if ((strcmp(input.c_str(), "y")) == 0) {
 		prot.load(pl);
 	} else {
@@ -134,49 +137,53 @@ int main(int argc, char* argv[]) {
 	// Mi salvo i vari modelli
 	prot.save(outputFile);
 
+
+
+
+
 	/////////////////////////////////////////////////////////////////////
 
-//	unsigned int d = 0;
-//
-//	TmScore tm("./Mobi/data/TMscore", outputFile, v);
-//
-//	Protein* traslata = new Protein();
-//
-//	for (unsigned int i = 0; i < prot.size()-1; i++)
-//		for (unsigned int j = i+1; j < prot.size(); j++)
-//			{
-//				traslata = tm.TmImpose(outputFile + (itosDEF(i)),
-//						outputFile + (itosDEF(j)));
-//				if (traslata != NULL) {
-//
-//					prot.addModels(*(traslata->getSpacer(d)));
-//				} else
-//					ERROR("Errore nella creazione della proteina traslata",
-//							exeption);
-//
-//				prot.addModels(*(prot.getSpacer(j)));
-//
-//
-//			}
-//
-//  //prot.printModels(outputFile);
-//
-//	StandardDeviation std(prot, v);
-//	vector<double> SD;
-//
-//	vector<double> EVERAGE;
-//
-//	EVERAGE = std.get_everage_distance();
-//
+	unsigned int d = 0;
+
+	TmScore tm("./Mobi/data/TMscore", outputFile, v);
+
+	Protein* traslata = new Protein();
+
+	for (unsigned int i = 0; i < prot.size()-1; i++)
+		for (unsigned int j = i+1; j < prot.size(); j++)
+			{
+				traslata = tm.TmImpose(outputFile + (itosDEF(i)),
+						outputFile + (itosDEF(j)));
+				if (traslata != NULL) {
+
+					prot.addModels(*(traslata->getSpacer(d)));
+				} else
+					ERROR("Errore nella creazione della proteina traslata",
+							exeption);
+
+				prot.addModels(*(prot.getSpacer(j)));
+
+
+			}
+
+  //prot.printModels(outputFile);
+
+	StandardDeviation std(prot, v);
+
+
+	vector<double> ever;
+
+	ever = std.get_everage_distance();
+
 //	cout << "EVERAGE" << endl;
-//		for (vector<double>::iterator everage = EVERAGE.begin(); everage != EVERAGE.end();
+//		for (vector<double>::iterator everage = ever.begin(); everage != ever.end();
 //				everage++) {
 //			cout << *everage << endl;
 //
 //		}
-//
-//
-//	SD = std.get_standard_deviation();
+
+	vector<double> SD;
+	SD = std.get_standard_deviation();
 //	cout << "STANDARD DEVIATION" << endl;
 //	for (vector<double>::iterator walk = SD.begin(); walk != SD.end();
 //			walk++) {
@@ -187,27 +194,23 @@ int main(int argc, char* argv[]) {
 ///////////////////////////////////////////////////
 
 
+	vector<double> ANGLE_PHI;
+	ANGLE_PHI=std.get_StandarDev_angle_PHI();
 
 
-//	StandardDeviation std(prot, v);
-//
-//	vector<double> ANGLE_PHI;
-//	ANGLE_PHI=std.get_StandarDev_angle_PHI();
-//
-//
-//	cout << "STANDARD DEVIATION" << endl;
+//	cout << "ANGLE PHI" << endl;
 //	for (vector<double>::iterator walk = ANGLE_PHI.begin(); walk != ANGLE_PHI.end();
 //			walk++) {
 //		cout << *walk << endl;
 //
 //	}
-//
-//
-//	vector<double> ANGLE_PSI;
-//		ANGLE_PSI=std.get_StandarDev_angle_PSI();
-//
-//
-//		cout << "STANDARD DEVIATION" << endl;
+
+
+	vector<double> ANGLE_PSI;
+	ANGLE_PSI=std.get_StandarDev_angle_PSI();
+
+
+//		cout << "ANGLE PSI" << endl;
 //		for (vector<double>::iterator walk = ANGLE_PSI.begin(); walk != ANGLE_PSI.end();
 //				walk++) {
 //			cout << *walk << endl;
@@ -217,11 +220,11 @@ int main(int argc, char* argv[]) {
 
 ///////////////////////////////////////////////////////////////////////////////////
 
-//	SecondaryStructure sstr (prot, v);
-//
-//	vector<char> MOB;
-//	MOB = sstr.getMobilitySecondaryStructure();
-//
+	SecondaryStructure sstr (prot, v);
+
+	vector<char> MOB;
+	MOB = sstr.getMobilitySecondaryStructure();
+
 //	cout << "\nSECONDARY STRUCTURE" << endl;
 //	for (vector<char>::iterator walk = MOB.begin(); walk != MOB.end(); walk++) {
 //		cout << *walk << " ";
@@ -234,7 +237,9 @@ int main(int argc, char* argv[]) {
 /////////////////////////////////////////////////////////////////////////////////////
 
     MobiSaver* saver = new MobiSaver(prot, outputFile, v);
-    saver->save_mob_everageScalD();
+    saver->save_allMobility(ever, SD, ANGLE_PHI, ANGLE_PSI, MOB);
+
+
     delete saver;
 
 	prot.remove(outputFile);
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index c8cc88a6aef7133ade4ac152ce6cfdfe44cad018..8117a9ed8a67a90425ef4b2a90a86bc4522cfebe 100644
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C<k1}f

diff --git a/Mobi/Sources/MobiSaver.cc b/Mobi/Sources/MobiSaver.cc
index 5fe3f42..ec22d49 100644
--- a/Mobi/Sources/MobiSaver.cc
+++ b/Mobi/Sources/MobiSaver.cc
@@ -57,17 +57,177 @@ MobiSaver::~MobiSaver() {
 
 
 
-void MobiSaver::save_mob_everageScalD (){
+void MobiSaver::save_mob_everageScalD(vector <double> everageDistance){
 
-	ofstream fout;			//stream in output
+	if (everageDistance.size()==0)
+		ERROR ("Vector everage distance empty!", exception);
 
+	ofstream fout (out.c_str(), ofstream::app);
+
+	if (!fout)
+		ERROR("Could not open file for writing.", error);
+
+	if (verbose)
+		cout<<"\n ### Salvataggio sul file della mobilità data la distanza media ###"<<endl;
+
+	fout << endl;
+	fout << "> Average scale distance 0" << endl;
+
+	for (vector<double>::iterator walk = everageDistance.begin();
+			walk != everageDistance.end(); walk++) {
+		if (*(walk) < 0.85)
+			fout << "M";
+		else
+			fout << ".";
+	}
+
+	fout.close();
 
 	if (verbose)
-		cout<<"\n ###Salvataggio sul file della mobilità data la distanza media ###"<<endl;
+		cout << "Mobility from average scaled distance saved!" << endl;
+
+
+
+}
+
+
+void MobiSaver::save_mob_standardDeviation(vector<double> Scale_distance) {
+
+	if (Scale_distance.size() == 0)
+		ERROR("Vector standard deviation empty!", exception);
+
+	ofstream fout(out.c_str(), ofstream::app);
+
+	if (!fout)
+		ERROR("Could not open file for writing.", error);
+
+	if (verbose)
+		cout
+				<< "\n ### Salvataggio sul file della mobilità data dalla standard deviation ###"
+				<< endl;
+
+	fout << endl;
+	fout << "> Standard deviation distance 1" << endl;
+
+	for (vector<double>::iterator walk = Scale_distance.begin();
+			walk != Scale_distance.end(); walk++) {
+		if (*(walk) > 0.09)
+			fout << "M";
+		else
+			fout << ".";
+	}
+
+	fout.close();
+
+	if (verbose)
+		cout << "Mobility from standard deviation saved!" << endl;
+
+}
+
+
+void MobiSaver::save_mob_angle_PHI(vector<double> angle_PHI){
+
+	if (angle_PHI.size() == 0)
+			ERROR("Vector angle PHI empty!", exception);
+
+		ofstream fout(out.c_str(), ofstream::app);
+
+		if (!fout)
+			ERROR("Could not open file for writing.", error);
+
+		if (verbose)
+			cout
+					<< "\n ### Salvataggio sul file della mobilità data dall'angle_PHI ###"
+					<< endl;
 
+		fout << endl;
+		fout << "> Phi angle 2" << endl;
 
+		for (vector<double>::iterator walk = angle_PHI.begin();
+				walk != angle_PHI.end(); walk++) {
+			if (*(walk) > 20)
+				fout << "M";
+			else
+				fout << ".";
+		}
 
+		fout.close();
+
+		if (verbose)
+			cout << "Mobility from angle_PHI saved!" << endl;
+
+}
+
+void MobiSaver::save_mob_angle_PSI(vector<double> angle_PSI){
+
+	if (angle_PSI.size() == 0)
+			ERROR("Vector angle PSI empty!", exception);
+
+		ofstream fout(out.c_str(), ofstream::app);
+
+		if (!fout)
+			ERROR("Could not open file for writing.", error);
+
+		if (verbose)
+			cout
+					<< "\n ### Salvataggio sul file della mobilità data dall'angle_PSI ###"
+					<< endl;
+
+		fout << endl;
+		fout << "> Psi angle 3" << endl;
+
+		for (vector<double>::iterator walk = angle_PSI.begin();
+				walk != angle_PSI.end(); walk++) {
+			if (*(walk) > 20)
+				fout << "M";
+			else
+				fout << ".";
+		}
+
+		fout.close();
+
+		if (verbose)
+			cout << "Mobility from angle_PSI saved!" << endl;
+
+}
+
+void MobiSaver::save_mob_SecondaryStructure(vector<char> Mob_SecStructure){
+
+	if (Mob_SecStructure.size() == 0)
+			ERROR("Vector Mob_SecStructure empty!", exception);
+
+		ofstream fout(out.c_str(), ofstream::app);
+
+		if (!fout)
+			ERROR("Could not open file for writing.", error);
+
+		if (verbose)
+			cout
+					<< "\n ### Salvataggio sul file della mobilità data la struttura secondaria ###"
+					<< endl;
+
+		fout << endl;
+		fout << "> Secondary structure 4" << endl;
+
+		for (vector<char>::iterator walk = Mob_SecStructure.begin();
+				walk != Mob_SecStructure.end(); walk++)
+				fout << *(walk);
+
+		fout.close();
+
+		if (verbose)
+			cout << "Mobility from sacondary structure saved!" << endl;
+
+}
 
+void MobiSaver::save_allMobility(vector<double> everageDistance,
+		vector<double> Scale_distance, vector<double> angle_PHI,
+		vector<double> angle_PSI, vector<char> Mob_SecStructure) {
 
+	save_mob_everageScalD(everageDistance);
+	save_mob_standardDeviation(Scale_distance);
+	save_mob_angle_PHI(angle_PHI);
+	save_mob_angle_PSI(angle_PSI);
+	save_mob_SecondaryStructure(Mob_SecStructure);
 
 }
diff --git a/Mobi/Sources/MobiSaver.h b/Mobi/Sources/MobiSaver.h
index 096f222..cb88fcb 100644
--- a/Mobi/Sources/MobiSaver.h
+++ b/Mobi/Sources/MobiSaver.h
@@ -27,7 +27,14 @@ class MobiSaver : public Saver{
 	virtual ~MobiSaver();
 
 
-	virtual void save_mob_everageScalD();
+	void save_mob_everageScalD(vector <double> __everageDistance);
+	void save_mob_standardDeviation(vector <double> __Scale_distance);
+	void save_mob_angle_PHI(vector <double> __angle_PHI);
+	void save_mob_angle_PSI(vector <double> __angle_PSI);
+	void save_mob_SecondaryStructure(vector <char> __Mob_SecStructure);
+	void save_allMobility(vector<double> __everageDistance,
+			vector<double> __Scale_distance, vector<double> __angle_PHI,
+			vector<double> __angle_PSI, vector<char> __Mob_SecStructure);
 
 private:
 	bool verbose;

From cc07b126a8498f43afb0e57eadeb7c2ea289c49e Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Sat, 25 Jul 2015 16:17:26 +0200
Subject: [PATCH 24/61] standar deviation with mask ok

---
 Mobi/APPS/mobi.cc                  |   3 +-
 Mobi/APPS/mobi.o                   | Bin 35504 -> 35152 bytes
 Mobi/Sources/MobiSaver.cc          | 164 +++++++++++++++++++++++++++--
 Mobi/Sources/MobiSaver.h           |  14 +--
 Mobi/Sources/SecondaryStructure.cc |   7 +-
 5 files changed, 164 insertions(+), 24 deletions(-)

diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index d7ed822..c2c25d3 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -224,7 +224,6 @@ int main(int argc, char* argv[]) {
 
 	vector<char> MOB;
 	MOB = sstr.getMobilitySecondaryStructure();
-
 //	cout << "\nSECONDARY STRUCTURE" << endl;
 //	for (vector<char>::iterator walk = MOB.begin(); walk != MOB.end(); walk++) {
 //		cout << *walk << " ";
@@ -237,7 +236,7 @@ int main(int argc, char* argv[]) {
 /////////////////////////////////////////////////////////////////////////////////////
 
     MobiSaver* saver = new MobiSaver(prot, outputFile, v);
-    saver->save_allMobility(ever, SD, ANGLE_PHI, ANGLE_PSI, MOB);
+    saver->allMobility(ever, SD, ANGLE_PHI, ANGLE_PSI, MOB);
 
 
     delete saver;
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index 8117a9ed8a67a90425ef4b2a90a86bc4522cfebe..754a24af936b9a61de8dab6770c0ce4415066e0b 100644
GIT binary patch
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diff --git a/Mobi/Sources/MobiSaver.cc b/Mobi/Sources/MobiSaver.cc
index ec22d49..769ed33 100644
--- a/Mobi/Sources/MobiSaver.cc
+++ b/Mobi/Sources/MobiSaver.cc
@@ -57,7 +57,7 @@ MobiSaver::~MobiSaver() {
 
 
 
-void MobiSaver::save_mob_everageScalD(vector <double> everageDistance){
+void MobiSaver::mob_eveScalD(vector <double> everageDistance){
 
 	if (everageDistance.size()==0)
 		ERROR ("Vector everage distance empty!", exception);
@@ -91,7 +91,7 @@ void MobiSaver::save_mob_everageScalD(vector <double> everageDistance){
 }
 
 
-void MobiSaver::save_mob_standardDeviation(vector<double> Scale_distance) {
+void MobiSaver::mob_stanD(vector<double> Scale_distance) {
 
 	if (Scale_distance.size() == 0)
 		ERROR("Vector standard deviation empty!", exception);
@@ -125,7 +125,7 @@ void MobiSaver::save_mob_standardDeviation(vector<double> Scale_distance) {
 }
 
 
-void MobiSaver::save_mob_angle_PHI(vector<double> angle_PHI){
+void MobiSaver::mob_aPHI(vector<double> angle_PHI){
 
 	if (angle_PHI.size() == 0)
 			ERROR("Vector angle PHI empty!", exception);
@@ -158,7 +158,7 @@ void MobiSaver::save_mob_angle_PHI(vector<double> angle_PHI){
 
 }
 
-void MobiSaver::save_mob_angle_PSI(vector<double> angle_PSI){
+void MobiSaver::mob_aPSI(vector<double> angle_PSI){
 
 	if (angle_PSI.size() == 0)
 			ERROR("Vector angle PSI empty!", exception);
@@ -191,7 +191,7 @@ void MobiSaver::save_mob_angle_PSI(vector<double> angle_PSI){
 
 }
 
-void MobiSaver::save_mob_SecondaryStructure(vector<char> Mob_SecStructure){
+void MobiSaver::mob_SecS(vector<char> Mob_SecStructure){
 
 	if (Mob_SecStructure.size() == 0)
 			ERROR("Vector Mob_SecStructure empty!", exception);
@@ -220,14 +220,156 @@ void MobiSaver::save_mob_SecondaryStructure(vector<char> Mob_SecStructure){
 
 }
 
-void MobiSaver::save_allMobility(vector<double> everageDistance,
+void MobiSaver::mob_eveScalD_filtSecS(vector <double> everageDistance, vector<char> mobSecS){
+
+	if (everageDistance.size()==0 || mobSecS.size()==0)
+			ERROR ("Exception: Vectors must be full.", exception);
+
+		ofstream fout (out.c_str(), ofstream::app);
+
+		if (!fout)
+			ERROR("Could not open file for writing.", error);
+
+		if (verbose)
+			cout<<"\n ### Save mobility from average Scale distance filtered by Secondary Structure...  ###"<<endl;
+
+		fout << endl;
+		fout << "> Average scale distance filtered with SecStr 0" << endl;
+
+		vector<double>::iterator everage = everageDistance.begin();
+		vector<char>::iterator secStruct = mobSecS.begin();
+
+		//facciamo che se la media è fissa resta fisso a prescindere, se è mobile resta mobile se la struttura secondaria dice che è mobile
+		//altrimenti diventa fisso
+		while (everage != everageDistance.end() || secStruct != mobSecS.end()){
+
+			if (*(everage) < 0.85 && *(secStruct)!='.')
+				fout << "M";
+			else
+				fout << ".";
+
+			everage++;
+			secStruct++;
+		}
+
+		fout.close();
+
+		if (verbose)
+			cout << "Mobility from average scaled  distance filtered by Secondary Structure saved!" << endl;
+
+
+}
+
+
+void MobiSaver::mob_stanD_withMask(vector<double> Scale_distance) {
+
+	vector<string> vettoreSupporto;
+	map <string,string> map;
+
+	if (Scale_distance.size() == 0)
+			ERROR("Vector standard deviation empty!", exception);
+
+		ofstream fout(out.c_str(), ofstream::app);
+
+		if (!fout)
+			ERROR("Could not open file for writing.", error);
+
+		if (verbose)
+			cout
+					<< "\n ### Save on file standard deviation with Mask ###"
+					<< endl;
+
+		fout << endl;
+		fout << "> Standard deviation distance with mask 1" << endl;
+
+
+		const pair <string,string> product1 ("M.MM",  "MMMM");
+		const pair <string,string> product2 ("MM.M",  "MMMM");
+		const pair <string,string> product3 ("M..MM", "MMMMM");
+		const pair <string,string> product4 ("MM..M", "MMMMM");
+		const pair <string,string> product5 (".M.M.", ".....");
+		const pair <string,string> product6 ("..M..", ".....");
+		const pair <string,string> product7 ("..MM..","......");
+
+		map.insert(product1);
+		map.insert(product2);
+		map.insert(product3);
+		map.insert(product4);
+		map.insert(product5);
+		map.insert(product6);
+		map.insert(product7);
+
+
+		for (vector<double>::iterator walk = Scale_distance.begin();
+				walk != Scale_distance.end(); walk++) {
+			if (*(walk) > 0.09)
+				vettoreSupporto.push_back("M");
+			else
+				vettoreSupporto.push_back(".");
+		}
+
+		string test;
+
+		vector<string>::iterator mob = vettoreSupporto.begin();
+		std::map <string, string> :: iterator iter= map.begin();
+
+
+		int i;
+		bool flag;
+		vector <string>::iterator j;
+
+	while (mob != vettoreSupporto.end()) {
+
+		i = 0;
+		flag = true;
+		test.clear();
+		j=mob;
+
+		while (j != vettoreSupporto.end() && i < 6 && flag) {
+
+			test = test + (*(j));
+			cout << test  << endl;
+			iter = map.find(test);
+			    if (iter != map.end()){
+			    	cout << "1111" << test << endl;
+			        test = iter->second;
+			        flag=false;
+			    }
+
+			    j++;
+			    i++;
+		}
+
+		if(!flag){
+			fout << test;
+			mob=j;
+		}else{
+			fout << *(mob);
+			mob++;
+		}
+
+
+	}
+
+
+
+		fout.close();
+
+		if (verbose)
+			cout << "Mobility from standard deviation whith mask saved!" << endl;
+
+}
+
+void MobiSaver::allMobility(vector<double> everageDistance,
 		vector<double> Scale_distance, vector<double> angle_PHI,
 		vector<double> angle_PSI, vector<char> Mob_SecStructure) {
 
-	save_mob_everageScalD(everageDistance);
-	save_mob_standardDeviation(Scale_distance);
-	save_mob_angle_PHI(angle_PHI);
-	save_mob_angle_PSI(angle_PSI);
-	save_mob_SecondaryStructure(Mob_SecStructure);
+	mob_eveScalD(everageDistance);
+	mob_eveScalD_filtSecS(everageDistance, Mob_SecStructure);
+	mob_stanD(Scale_distance);
+	mob_stanD_withMask(Scale_distance);
+	mob_aPHI(angle_PHI);
+	mob_aPSI(angle_PSI);
+	mob_SecS(Mob_SecStructure);
 
 }
diff --git a/Mobi/Sources/MobiSaver.h b/Mobi/Sources/MobiSaver.h
index cb88fcb..6b9ca41 100644
--- a/Mobi/Sources/MobiSaver.h
+++ b/Mobi/Sources/MobiSaver.h
@@ -27,12 +27,14 @@ class MobiSaver : public Saver{
 	virtual ~MobiSaver();
 
 
-	void save_mob_everageScalD(vector <double> __everageDistance);
-	void save_mob_standardDeviation(vector <double> __Scale_distance);
-	void save_mob_angle_PHI(vector <double> __angle_PHI);
-	void save_mob_angle_PSI(vector <double> __angle_PSI);
-	void save_mob_SecondaryStructure(vector <char> __Mob_SecStructure);
-	void save_allMobility(vector<double> __everageDistance,
+	void mob_eveScalD(vector <double> __everageDistance);
+	void mob_eveScalD_filtSecS(vector <double> __everageDistance, vector<char> __mobSecS);
+	void mob_stanD(vector <double> __Scale_distance);
+	void mob_stanD_withMask(vector <double> __Scale_distance);
+	void mob_aPHI(vector <double> __angle_PHI);
+	void mob_aPSI(vector <double> __angle_PSI);
+	void mob_SecS(vector <char> __Mob_SecStructure);
+	void allMobility(vector<double> __everageDistance,
 			vector<double> __Scale_distance, vector<double> __angle_PHI,
 			vector<double> __angle_PSI, vector<char> __Mob_SecStructure);
 
diff --git a/Mobi/Sources/SecondaryStructure.cc b/Mobi/Sources/SecondaryStructure.cc
index 5c5f356..670d0ea 100644
--- a/Mobi/Sources/SecondaryStructure.cc
+++ b/Mobi/Sources/SecondaryStructure.cc
@@ -54,11 +54,9 @@ vector<char> SecondaryStructure::getMobilitySecondaryStructure() {
 		for (unsigned int j = 0; j < num_amino; j++) {
 			//mi tiro fuori il primo valore char e lo metto in un vettore di char
 			sec_Structures[j][i] = (*(vettore_di_supporto[j].begin()));
-			if (verbose)
-				cout << sec_Structures[j][i];
+
 		}
-		if (verbose)
-		cout  << endl;
+
 	}
 
 
@@ -125,7 +123,6 @@ vector<char> SecondaryStructure::getMobilitySecondaryStructure() {
 		}
 
 
-
 	return mobility;
 }
 

From 82e618c7074bd28c1b9ee067cb60798c256027a3 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Sat, 25 Jul 2015 18:43:24 +0200
Subject: [PATCH 25/61] =?UTF-8?q?terminato=20ultimo=20filtro=20sulla=20mob?=
 =?UTF-8?q?ilit=C3=A0?=
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit

---
 Mobi/Sources/MobiSaver.cc | 122 +++++++++++++++++++++++++++++++++++++-
 Mobi/Sources/MobiSaver.h  |   1 +
 2 files changed, 122 insertions(+), 1 deletion(-)

diff --git a/Mobi/Sources/MobiSaver.cc b/Mobi/Sources/MobiSaver.cc
index 769ed33..ed63e03 100644
--- a/Mobi/Sources/MobiSaver.cc
+++ b/Mobi/Sources/MobiSaver.cc
@@ -261,6 +261,123 @@ void MobiSaver::mob_eveScalD_filtSecS(vector <double> everageDistance, vector<ch
 }
 
 
+void MobiSaver::mob_eveScalD_filteredByPHI_PSI_standD(
+		vector<double> everageDistance, vector<double> angle_PHI,
+		vector<double> angle_PSI, vector<double> Scale_distance) {
+
+	vector<string> vettoreSupporto;
+
+	if (everageDistance.size() == 0 || angle_PHI.size() == 0
+			|| angle_PSI.size() == 0 || Scale_distance.size() == 0)
+		ERROR("One vectors is empty!", exception);
+
+	ofstream fout(out.c_str(), ofstream::app);
+
+	if (!fout)
+		ERROR("Could not open file for writing.", error);
+
+	if (verbose)
+		cout
+				<< "\n ### Save mobility from average Scale distance filtered by PHI PSI Standard deviation...  ###"
+				<< endl;
+
+	fout << endl;
+	fout << "> Average scale distance filtered with PHI PSI StdD 0" << endl;
+
+	const string filter1 = "MM.";
+	const string filter2 = ".MM";
+
+	for (vector<double>::iterator walk = everageDistance.begin();
+			walk != everageDistance.end(); walk++) {
+		if (*(walk) < 0.85)
+			vettoreSupporto.push_back("M");
+		else
+			vettoreSupporto.push_back(".");
+	}
+
+	string test;
+
+	vector<string>::iterator mob = vettoreSupporto.begin();
+	vector<double>::iterator phi = angle_PHI.begin();
+	vector<double>::iterator psi = angle_PSI.begin();
+	vector<double>::iterator stdD = Scale_distance.begin();
+
+	int i;
+	bool flag;
+	vector<string>::iterator j;
+	vector<double>::iterator h, s, d;
+
+	while (mob != vettoreSupporto.end()) {
+
+		i = 0;
+		flag = true;
+		test.clear();
+		j = mob;
+		h = phi;
+		s = psi;
+		d = stdD;
+
+		while (j != vettoreSupporto.end() && i < 3 && flag) {
+
+			test = test + (*(j));
+			if (verbose)
+				cout << test << endl;
+
+			if (test.compare(filter1) == 0) {
+				if (verbose) {
+					cout << "phi " << *(h) << " psi " << *(s) << " stdD "
+							<< *(d) << "Prev_psi" << *(s - 1) << endl;
+					cout << "Trovato" << test << endl;
+				}
+				if (*(h) > 20 && *(s) > 20 && *(d) > 0.09 && (*(s - 1) > 20))
+					flag = false;
+
+			} else if (test.compare(filter2) == 0) {
+				if (verbose) {
+					cout << "phi " << *(h - 2) << " psi " << *(s - 2)
+							<< " stdD " << *(d - 2) << "Prev_phi" << *(h - 1)
+							<< endl;
+					cout << "Trovato" << test << endl;
+				}
+				if (*(h - 2) > 20 && *(s - 2) > 20 && *(d - 2) > 0.09
+						&& (*(h - 1) > 20))
+					flag = false;
+
+			}
+
+			j++;
+			h++;
+			s++;
+			d++;
+			i++;
+		}
+
+		if (!flag) {
+			if (verbose)
+				cout << "###########MODIFICATO!!" << endl;
+
+			fout << "MMM";
+			mob = j;
+			phi = h;
+			psi = s;
+			stdD = d;
+
+		} else {
+			fout << *(mob);
+			mob++;
+		}
+
+	}
+
+	fout.close();
+
+	if (verbose)
+		cout
+				<< "Mobility from average Scale distance filtered by PHI PSI Standard deviation whith mask saved!"
+				<< endl;
+
+}
+
 void MobiSaver::mob_stanD_withMask(vector<double> Scale_distance) {
 
 	vector<string> vettoreSupporto;
@@ -328,10 +445,12 @@ void MobiSaver::mob_stanD_withMask(vector<double> Scale_distance) {
 		while (j != vettoreSupporto.end() && i < 6 && flag) {
 
 			test = test + (*(j));
+			if(verbose)
 			cout << test  << endl;
 			iter = map.find(test);
 			    if (iter != map.end()){
-			    	cout << "1111" << test << endl;
+			    	if(verbose)
+			    	cout << "Trovato" << test << endl;
 			        test = iter->second;
 			        flag=false;
 			    }
@@ -366,6 +485,7 @@ void MobiSaver::allMobility(vector<double> everageDistance,
 
 	mob_eveScalD(everageDistance);
 	mob_eveScalD_filtSecS(everageDistance, Mob_SecStructure);
+	mob_eveScalD_filteredByPHI_PSI_standD(everageDistance, angle_PHI, angle_PSI, Scale_distance);
 	mob_stanD(Scale_distance);
 	mob_stanD_withMask(Scale_distance);
 	mob_aPHI(angle_PHI);
diff --git a/Mobi/Sources/MobiSaver.h b/Mobi/Sources/MobiSaver.h
index 6b9ca41..4eda57f 100644
--- a/Mobi/Sources/MobiSaver.h
+++ b/Mobi/Sources/MobiSaver.h
@@ -29,6 +29,7 @@ class MobiSaver : public Saver{
 
 	void mob_eveScalD(vector <double> __everageDistance);
 	void mob_eveScalD_filtSecS(vector <double> __everageDistance, vector<char> __mobSecS);
+	void mob_eveScalD_filteredByPHI_PSI_standD(vector <double> __everageDistance, vector <double> __angle_PHI, vector <double> __angle_PSI, vector <double> __Scale_distance);
 	void mob_stanD(vector <double> __Scale_distance);
 	void mob_stanD_withMask(vector <double> __Scale_distance);
 	void mob_aPHI(vector <double> __angle_PHI);

From 352a267e02e472d2380ffec0584722f765fc7c22 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Sun, 26 Jul 2015 18:29:03 +0200
Subject: [PATCH 26/61] creata documentazione

---
 Biopool/APPS/pdb2secondary.cc      |   3 +
 Mobi/APPS/mobi.cc                  | 125 ++++----
 Mobi/APPS/mobi.o                   | Bin 35152 -> 34992 bytes
 Mobi/Sources/MobiSaver.cc          | 466 ++++++++++++++++-------------
 Mobi/Sources/MobiSaver.h           |  37 ++-
 Mobi/Sources/ProteinModels.cc      | 220 ++++++++------
 Mobi/Sources/ProteinModels.h       |  60 ++--
 Mobi/Sources/ProteinModels.o       | Bin 71816 -> 71752 bytes
 Mobi/Sources/SecondaryStructure.cc | 133 ++++----
 Mobi/Sources/SecondaryStructure.h  |  26 +-
 Mobi/Sources/StandardDeviation.cc  | 312 ++++++++++---------
 Mobi/Sources/StandardDeviation.h   |  42 ++-
 Mobi/Sources/TmScore.cc            |  34 ++-
 Mobi/Sources/TmScore.h             |  49 +--
 Mobi/Sources/TmScore.o             | Bin 32424 -> 32424 bytes
 15 files changed, 833 insertions(+), 674 deletions(-)

diff --git a/Biopool/APPS/pdb2secondary.cc b/Biopool/APPS/pdb2secondary.cc
index f05e856..decfec5 100644
--- a/Biopool/APPS/pdb2secondary.cc
+++ b/Biopool/APPS/pdb2secondary.cc
@@ -14,8 +14,11 @@
     along with Victor.  If not, see <http://www.gnu.org/licenses/>.
  */
 /**  
+
+
 @Description */
 
+// Includes:
 #include <string>
 #include <GetArg.h>
 #include <Spacer.h>
diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index c2c25d3..7c05718 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -14,17 +14,26 @@
  along with Victor.  If not, see <http://www.gnu.org/licenses/>.
  */
 
-// --*- C++ -*------x-----------------------------------------------------------
-//
-//
-// Description:     Mobi è un software che riceve in input
-//					un file .pdb creato con tecnologia NMR.
-//	 				Questo file contiene molti modelli della stessa proteina,
-//					li confronta e restituisce in un file di output
-//	 				le parti mobili della proteina.
-//
-//
-// -----------------x-----------------------------------------------------------
+/*
+ @file    Mobi.cc
+ @author  Riccardo Zanella, riccardozanella89@gmail.com
+ @version 1.0
+ */
+
+/* --*- C++ -*------x-----------------------------------------------------------
+ *
+ *
+ * Description:     Mobi is a software that take in input .pdb file created
+ *					Whit NMR technology.
+ *	 				this file contained more models of the same protein,
+ *					he take it, then he imposed all models whit all models
+ *					and return mobility part of the protein in a .pdb file
+ *
+ *
+ * -----------------x-----------------------------------------------------------
+ */
+
+// Includes:
 #include <ProteinModels.h>
 #include <MobiSaver.h>
 #include <SecondaryStructure.h>
@@ -48,12 +57,12 @@ void sShowHelp() {
 
 	cout << "DESCRIPTION \n" << endl;
 	cout
-			<< "\t Mobi è un software che riceve in input un file .pdb creato con tecnologia NMR."
+			<< "\t Mobi is a software that take in input a .pdb file created by NMR tecnology."
 			<< endl;
 	cout
-			<< "\t Questo file contiene molti modelli della stessa proteina, li confronta e restituisce in un file di output "
+			<< "\t this file contained more models of the same protein, then Mobi imposed models and return "
 			<< endl;
-	cout << "\t le parti mobili della proteina." << endl;
+	cout << "\t  aminoacid's mobility." << endl;
 
 	cout << "\n" << endl;
 
@@ -68,8 +77,7 @@ void sShowHelp() {
 int main(int argc, char* argv[]) {
 
 	bool v;
-	string inputFile, outputFile, outputFile_1;
-	string input;
+	string inputFile, outputFile, input;
 
 	//guide with -h option
 	if (getArg("h", argc, argv)) {
@@ -98,16 +106,15 @@ int main(int argc, char* argv[]) {
 
 	ProteinModels prot;
 
-
-	// Protein prot;
-
 	if (v) {
 		pl.setVerbose();
 		prot.setVerbose();
 	} else
 		pl.setNoVerbose();
 
-	//method that ask how much models load in protein
+	// --------------------------------------------------
+	// 1. ask how much models load in protein
+	// --------------------------------------------------
 
 	do {
 		cout << "Questo file pdb contiene ";
@@ -121,7 +128,7 @@ int main(int argc, char* argv[]) {
 			&& (strcmp(input.c_str(), "n")) != 0); //(!cin.fail() && input != 'y' && input != 'n');
 
 	if (!v)
-			cout << "\nLOAD..." << endl;
+		cout << "\nLOAD..." << endl;
 
 	if ((strcmp(input.c_str(), "y")) == 0) {
 		prot.load(pl);
@@ -129,52 +136,60 @@ int main(int argc, char* argv[]) {
 		prot.loadSameModels(pl);
 	}
 
+	// --------------------------------------------------
+	// 2. set path to output file
+	// --------------------------------------------------
+
 	if (outputFile != "!") {
 		outputFile = "./Mobi/data/" + outputFile;
 	} else
 		outputFile = "./Mobi/data/stdout";
 
-	// Mi salvo i vari modelli
-	prot.save(outputFile);
-
-
-
+	// --------------------------------------------------
+	// 3. method that save in separated file each models
+	// --------------------------------------------------
 
+	prot.save(outputFile);
 
 	/////////////////////////////////////////////////////////////////////
 
+	//SUPER IMPOSITION
 	unsigned int d = 0;
 
+	// ------------------------------------------------------
+	// 4. TmScore object make super imposition of each models
+	// ------------------------------------------------------
+
 	TmScore tm("./Mobi/data/TMscore", outputFile, v);
 
 	Protein* traslata = new Protein();
 
-	for (unsigned int i = 0; i < prot.size()-1; i++)
-		for (unsigned int j = i+1; j < prot.size(); j++)
-			{
-				traslata = tm.TmImpose(outputFile + (itosDEF(i)),
-						outputFile + (itosDEF(j)));
-				if (traslata != NULL) {
-
-					prot.addModels(*(traslata->getSpacer(d)));
-				} else
-					ERROR("Errore nella creazione della proteina traslata",
-							exeption);
+	for (unsigned int i = 0; i < prot.size() - 1; i++)
+		for (unsigned int j = i + 1; j < prot.size(); j++) {
+			traslata = tm.TmImpose(outputFile + (itosDEF(i)),
+					outputFile + (itosDEF(j)));
+			if (traslata != NULL) {
 
-				prot.addModels(*(prot.getSpacer(j)));
+				prot.addModels(*(traslata->getSpacer(d)));
+			} else
+				ERROR("Errore nella creazione della proteina traslata",
+						exeption);
 
+			prot.addModels(*(prot.getSpacer(j)));
 
-			}
+		}
 
-  //prot.printModels(outputFile);
+	// ----------------------------------------------------------------------------------------
+	// 5. Standard Deviation object calculate metrics (everage ScalD, StanDevScalD ,phi, psi)
+	// ----------------------------------------------------------------------------------------
 
 	StandardDeviation std(prot, v);
 
-
 	vector<double> ever;
 
 	ever = std.get_everage_distance();
 
+	//print vector
 //	cout << "EVERAGE" << endl;
 //		for (vector<double>::iterator everage = ever.begin(); everage != ever.end();
 //				everage++) {
@@ -184,19 +199,20 @@ int main(int argc, char* argv[]) {
 
 	vector<double> SD;
 	SD = std.get_standard_deviation();
+
+	//print vector
 //	cout << "STANDARD DEVIATION" << endl;
 //	for (vector<double>::iterator walk = SD.begin(); walk != SD.end();
 //			walk++) {
 //		cout << *walk << endl;
 //	}
 
-
 ///////////////////////////////////////////////////
 
+	//ANGLE
 
 	vector<double> ANGLE_PHI;
-	ANGLE_PHI=std.get_StandarDev_angle_PHI();
-
+	ANGLE_PHI = std.get_StandarDev_angle_PHI();
 
 //	cout << "ANGLE PHI" << endl;
 //	for (vector<double>::iterator walk = ANGLE_PHI.begin(); walk != ANGLE_PHI.end();
@@ -205,10 +221,8 @@ int main(int argc, char* argv[]) {
 //
 //	}
 
-
 	vector<double> ANGLE_PSI;
-	ANGLE_PSI=std.get_StandarDev_angle_PSI();
-
+	ANGLE_PSI = std.get_StandarDev_angle_PSI();
 
 //		cout << "ANGLE PSI" << endl;
 //		for (vector<double>::iterator walk = ANGLE_PSI.begin(); walk != ANGLE_PSI.end();
@@ -217,13 +231,16 @@ int main(int argc, char* argv[]) {
 //
 //		}
 
-
 ///////////////////////////////////////////////////////////////////////////////////
 
-	SecondaryStructure sstr (prot, v);
+	//SECONDARY STRUCTURE
+
+	SecondaryStructure sstr(prot, v);
 
 	vector<char> MOB;
 	MOB = sstr.getMobilitySecondaryStructure();
+
+	//print vector
 //	cout << "\nSECONDARY STRUCTURE" << endl;
 //	for (vector<char>::iterator walk = MOB.begin(); walk != MOB.end(); walk++) {
 //		cout << *walk << " ";
@@ -232,14 +249,16 @@ int main(int argc, char* argv[]) {
 //
 //	cout << endl;
 
-
 /////////////////////////////////////////////////////////////////////////////////////
 
-    MobiSaver* saver = new MobiSaver(prot, outputFile, v);
-    saver->allMobility(ever, SD, ANGLE_PHI, ANGLE_PSI, MOB);
+	// --------------------------------------------------
+	// 6. MobiSaver object save mobility in output file
+	// --------------------------------------------------
 
+	MobiSaver* saver = new MobiSaver(prot, outputFile, v);
+	saver->allMobility(ever, SD, ANGLE_PHI, ANGLE_PSI, MOB);
 
-    delete saver;
+	delete saver;
 
 	prot.remove(outputFile);
 
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index 754a24af936b9a61de8dab6770c0ce4415066e0b..d644061f8ec2450c826cffac9a0d29526a45eab9 100644
GIT binary patch
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diff --git a/Mobi/Sources/MobiSaver.cc b/Mobi/Sources/MobiSaver.cc
index ed63e03..c0f9288 100644
--- a/Mobi/Sources/MobiSaver.cc
+++ b/Mobi/Sources/MobiSaver.cc
@@ -1,13 +1,28 @@
-/*
- * MobiSaver.cc
- *
- *  Created on: 22 lug 2015
- *      Author: riccardo
- */
+/*  This file is part of Victor.
 
-#include "MobiSaver.h"
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
 
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ GNU General Public License for more details.
 
+ You should have received a copy of the GNU General Public License
+ along with Victor.  If not, see <http://www.gnu.org/licenses/>.
+ */
+
+/**
+ * @file MobiSaver.h
+ * @author Riccardo Zanella
+ * @date 21 lug 2015
+ * @version 0.1
+ */
+
+//Includes:
+#include "MobiSaver.h"
 
 using namespace Victor;
 using namespace Victor::Biopool;
@@ -15,60 +30,76 @@ using namespace Victor::Mobi;
 
 const string OUT = "ResultMobi.fasta";
 
-MobiSaver::MobiSaver(ProteinModels prot, string output, bool verbose): Saver(), verbose(verbose) {
+/**
+ *   Default Constructor
+ * 	 @param ( ProteinModels& ), object PreteinModels
+ * 	 @param  string output, path file output
+ * 	 @param  bool verbose , verbose
+ */
+MobiSaver::MobiSaver(ProteinModels prot, string output, bool verbose) :
+		Saver(), verbose(verbose) {
 	// TODO Auto-generated constructor stub
 
 	//Se il file non esiste lo creo inserendo la sequenza aminoacidica in testa altrimenti non creo nulla
 	out = output + OUT;
 
-	if (access(out.c_str(), F_OK) != 0){
+	if (access(out.c_str(), F_OK) != 0) {
 
 		if (verbose)
-				cout<<"\n ### Create fasta file in output ###"<<endl;
+			cout << "\n ### Create fasta file in output ###" << endl;
 
 		ofstream fout;			//stream in output
 		vector<char>::iterator walk = prot.sequence.begin();
 
 		fout.open(out.c_str());
-				if (!fout) {
-							ERROR("Error to create file!", error);
-						} else {
-							fout << "> sequence" << endl;
-							while (walk != prot.sequence.end()) {
-								fout << *(walk);
-								walk++;
-							}
-
+		if (!fout) {
+			ERROR("Error to create file!", error);
+		} else {
+			fout << "> sequence" << endl;
+			while (walk != prot.sequence.end()) {
+				fout << *(walk);
+				walk++;
+			}
 
-							fout.close();
+			fout.close();
 
-							if (verbose)
-								cout << "file success created!" << endl;
-						}
+			if (verbose)
+				cout << "file success created!" << endl;
+		}
 
 	}
 
-
 }
 
+/**
+ *   Default Deconstructor
+ *
+ */
 MobiSaver::~MobiSaver() {
 	// TODO Auto-generated destructor stub
 }
 
+// PREDICATES:
 
+/**
+ * save mobility from average scale distance vector
+ * @param vector <double>, vector of average scale distance
+ * @return void
+ */
+void MobiSaver::mob_eveScalD(vector<double> everageDistance) {
 
-void MobiSaver::mob_eveScalD(vector <double> everageDistance){
-
-	if (everageDistance.size()==0)
-		ERROR ("Vector everage distance empty!", exception);
+	if (everageDistance.size() == 0)
+		ERROR("Vector everage distance empty!", exception);
 
-	ofstream fout (out.c_str(), ofstream::app);
+	ofstream fout(out.c_str(), ofstream::app);
 
 	if (!fout)
 		ERROR("Could not open file for writing.", error);
 
 	if (verbose)
-		cout<<"\n ### Salvataggio sul file della mobilità data la distanza media ###"<<endl;
+		cout
+				<< "\n ### Salvataggio sul file della mobilità data la distanza media ###"
+				<< endl;
 
 	fout << endl;
 	fout << "> Average scale distance 0" << endl;
@@ -86,11 +117,13 @@ void MobiSaver::mob_eveScalD(vector <double> everageDistance){
 	if (verbose)
 		cout << "Mobility from average scaled distance saved!" << endl;
 
-
-
 }
 
-
+/**
+ * save mobility from standard deviation distance vector
+ * @param vector <double>, vector of scale distance
+ * @return void
+ */
 void MobiSaver::mob_stanD(vector<double> Scale_distance) {
 
 	if (Scale_distance.size() == 0)
@@ -102,8 +135,7 @@ void MobiSaver::mob_stanD(vector<double> Scale_distance) {
 		ERROR("Could not open file for writing.", error);
 
 	if (verbose)
-		cout
-				<< "\n ### Salvataggio sul file della mobilità data dalla standard deviation ###"
+		cout << "\n ### Mobility from standard deviation saved on file ###"
 				<< endl;
 
 	fout << endl;
@@ -124,143 +156,169 @@ void MobiSaver::mob_stanD(vector<double> Scale_distance) {
 
 }
 
-
-void MobiSaver::mob_aPHI(vector<double> angle_PHI){
+/**
+ * save mobility from vector of phi angle
+ * @param vector <double>, vector of scale distance
+ * @return void
+ */
+void MobiSaver::mob_aPHI(vector<double> angle_PHI) {
 
 	if (angle_PHI.size() == 0)
-			ERROR("Vector angle PHI empty!", exception);
+		ERROR("Vector angle PHI empty!", exception);
 
-		ofstream fout(out.c_str(), ofstream::app);
+	ofstream fout(out.c_str(), ofstream::app);
 
-		if (!fout)
-			ERROR("Could not open file for writing.", error);
+	if (!fout)
+		ERROR("Could not open file for writing.", error);
 
-		if (verbose)
-			cout
-					<< "\n ### Salvataggio sul file della mobilità data dall'angle_PHI ###"
-					<< endl;
-
-		fout << endl;
-		fout << "> Phi angle 2" << endl;
-
-		for (vector<double>::iterator walk = angle_PHI.begin();
-				walk != angle_PHI.end(); walk++) {
-			if (*(walk) > 20)
-				fout << "M";
-			else
-				fout << ".";
-		}
+	if (verbose)
+		cout << "\n ### Mobility from angle phi saved on file ###" << endl;
 
-		fout.close();
+	fout << endl;
+	fout << "> Phi angle 2" << endl;
 
-		if (verbose)
-			cout << "Mobility from angle_PHI saved!" << endl;
+	for (vector<double>::iterator walk = angle_PHI.begin();
+			walk != angle_PHI.end(); walk++) {
+		if (*(walk) > 20)
+			fout << "M";
+		else
+			fout << ".";
+	}
+
+	fout.close();
+
+	if (verbose)
+		cout << "Mobility from angle_PHI saved!" << endl;
 
 }
 
-void MobiSaver::mob_aPSI(vector<double> angle_PSI){
+/**
+ * save mobility from vector of psi angle
+ * @param vector <double>,  from vector of psi angle
+ * @return void
+ */
+void MobiSaver::mob_aPSI(vector<double> angle_PSI) {
 
 	if (angle_PSI.size() == 0)
-			ERROR("Vector angle PSI empty!", exception);
+		ERROR("Vector angle PSI empty!", exception);
 
-		ofstream fout(out.c_str(), ofstream::app);
+	ofstream fout(out.c_str(), ofstream::app);
 
-		if (!fout)
-			ERROR("Could not open file for writing.", error);
+	if (!fout)
+		ERROR("Could not open file for writing.", error);
 
-		if (verbose)
-			cout
-					<< "\n ### Salvataggio sul file della mobilità data dall'angle_PSI ###"
-					<< endl;
-
-		fout << endl;
-		fout << "> Psi angle 3" << endl;
-
-		for (vector<double>::iterator walk = angle_PSI.begin();
-				walk != angle_PSI.end(); walk++) {
-			if (*(walk) > 20)
-				fout << "M";
-			else
-				fout << ".";
-		}
+	if (verbose)
+		cout << "\n ### Mobility from angle phi saved on file ###" << endl;
+
+	fout << endl;
+	fout << "> Psi angle 3" << endl;
 
-		fout.close();
+	for (vector<double>::iterator walk = angle_PSI.begin();
+			walk != angle_PSI.end(); walk++) {
+		if (*(walk) > 20)
+			fout << "M";
+		else
+			fout << ".";
+	}
 
-		if (verbose)
-			cout << "Mobility from angle_PSI saved!" << endl;
+	fout.close();
+
+	if (verbose)
+		cout << "Mobility from angle_PSI saved!" << endl;
 
 }
 
-void MobiSaver::mob_SecS(vector<char> Mob_SecStructure){
+/**
+ * save mobility structure
+ * @param vector<char>,  from vector of mobility structure
+ * @return void
+ */
+void MobiSaver::mob_SecS(vector<char> Mob_SecStructure) {
 
 	if (Mob_SecStructure.size() == 0)
-			ERROR("Vector Mob_SecStructure empty!", exception);
+		ERROR("Vector Mob_SecStructure empty!", exception);
 
-		ofstream fout(out.c_str(), ofstream::app);
+	ofstream fout(out.c_str(), ofstream::app);
 
-		if (!fout)
-			ERROR("Could not open file for writing.", error);
+	if (!fout)
+		ERROR("Could not open file for writing.", error);
 
-		if (verbose)
-			cout
-					<< "\n ### Salvataggio sul file della mobilità data la struttura secondaria ###"
-					<< endl;
+	if (verbose)
+		cout << "\n ### Mobility from secondary structures saved on file ###"
+				<< endl;
 
-		fout << endl;
-		fout << "> Secondary structure 4" << endl;
+	fout << endl;
+	fout << "> Secondary structure 4" << endl;
 
-		for (vector<char>::iterator walk = Mob_SecStructure.begin();
-				walk != Mob_SecStructure.end(); walk++)
-				fout << *(walk);
+	for (vector<char>::iterator walk = Mob_SecStructure.begin();
+			walk != Mob_SecStructure.end(); walk++)
+		fout << *(walk);
 
-		fout.close();
+	fout.close();
 
-		if (verbose)
-			cout << "Mobility from sacondary structure saved!" << endl;
+	if (verbose)
+		cout << "Mobility from secondary structure saved!" << endl;
 
 }
 
-void MobiSaver::mob_eveScalD_filtSecS(vector <double> everageDistance, vector<char> mobSecS){
-
-	if (everageDistance.size()==0 || mobSecS.size()==0)
-			ERROR ("Exception: Vectors must be full.", exception);
+/**
+ * save mobility from average scale distance filtered by secondary structures
+ * @param vector <double>,  vector average scaled distance
+ * @param vector <char>,  vector secondary structures
+ * @return void
+ */
+void MobiSaver::mob_eveScalD_filtSecS(vector<double> everageDistance,
+		vector<char> mobSecS) {
 
-		ofstream fout (out.c_str(), ofstream::app);
+	if (everageDistance.size() == 0 || mobSecS.size() == 0)
+		ERROR("Exception: Vectors must be full.", exception);
 
-		if (!fout)
-			ERROR("Could not open file for writing.", error);
+	ofstream fout(out.c_str(), ofstream::app);
 
-		if (verbose)
-			cout<<"\n ### Save mobility from average Scale distance filtered by Secondary Structure...  ###"<<endl;
+	if (!fout)
+		ERROR("Could not open file for writing.", error);
 
-		fout << endl;
-		fout << "> Average scale distance filtered with SecStr 0" << endl;
+	if (verbose)
+		cout
+				<< "\n ### Save mobility from average Scale distance filtered by Secondary Structure...  ###"
+				<< endl;
 
-		vector<double>::iterator everage = everageDistance.begin();
-		vector<char>::iterator secStruct = mobSecS.begin();
+	fout << endl;
+	fout << "> Average scale distance filtered with SecStr 0" << endl;
 
-		//facciamo che se la media è fissa resta fisso a prescindere, se è mobile resta mobile se la struttura secondaria dice che è mobile
-		//altrimenti diventa fisso
-		while (everage != everageDistance.end() || secStruct != mobSecS.end()){
+	vector<double>::iterator everage = everageDistance.begin();
+	vector<char>::iterator secStruct = mobSecS.begin();
 
-			if (*(everage) < 0.85 && *(secStruct)!='.')
-				fout << "M";
-			else
-				fout << ".";
+	//facciamo che se la media è fissa resta fisso a prescindere, se è mobile resta mobile se la struttura secondaria dice che è mobile
+	//altrimenti diventa fisso
+	while (everage != everageDistance.end() || secStruct != mobSecS.end()) {
 
-			everage++;
-			secStruct++;
-		}
+		if (*(everage) < 0.85 && *(secStruct) != '.')
+			fout << "M";
+		else
+			fout << ".";
 
-		fout.close();
+		everage++;
+		secStruct++;
+	}
 
-		if (verbose)
-			cout << "Mobility from average scaled  distance filtered by Secondary Structure saved!" << endl;
+	fout.close();
 
+	if (verbose)
+		cout
+				<< "Mobility from average scaled  distance filtered by Secondary Structure saved!"
+				<< endl;
 
 }
 
-
+/**
+ * save mobility from average scale distance filtered by angles and scaled distance
+ * @param vector <double>,  vector average scaled distance
+ * @param vector <double>, angle phi
+ * @param vector <double>, angle psi
+ * @param vector <double>, Scaled Distance
+ * @return void
+ */
 void MobiSaver::mob_eveScalD_filteredByPHI_PSI_standD(
 		vector<double> everageDistance, vector<double> angle_PHI,
 		vector<double> angle_PSI, vector<double> Scale_distance) {
@@ -320,25 +378,13 @@ void MobiSaver::mob_eveScalD_filteredByPHI_PSI_standD(
 		while (j != vettoreSupporto.end() && i < 3 && flag) {
 
 			test = test + (*(j));
-			if (verbose)
-				cout << test << endl;
 
 			if (test.compare(filter1) == 0) {
-				if (verbose) {
-					cout << "phi " << *(h) << " psi " << *(s) << " stdD "
-							<< *(d) << "Prev_psi" << *(s - 1) << endl;
-					cout << "Trovato" << test << endl;
-				}
 				if (*(h) > 20 && *(s) > 20 && *(d) > 0.09 && (*(s - 1) > 20))
 					flag = false;
 
 			} else if (test.compare(filter2) == 0) {
-				if (verbose) {
-					cout << "phi " << *(h - 2) << " psi " << *(s - 2)
-							<< " stdD " << *(d - 2) << "Prev_phi" << *(h - 1)
-							<< endl;
-					cout << "Trovato" << test << endl;
-				}
+
 				if (*(h - 2) > 20 && *(s - 2) > 20 && *(d - 2) > 0.09
 						&& (*(h - 1) > 20))
 					flag = false;
@@ -353,8 +399,6 @@ void MobiSaver::mob_eveScalD_filteredByPHI_PSI_standD(
 		}
 
 		if (!flag) {
-			if (verbose)
-				cout << "###########MODIFICATO!!" << endl;
 
 			fout << "MMM";
 			mob = j;
@@ -378,114 +422,122 @@ void MobiSaver::mob_eveScalD_filteredByPHI_PSI_standD(
 
 }
 
+/**
+ * save mobility from standard deviation with mask
+ * @param vector <double>,  vector scaled distance
+ * @return void
+ */
 void MobiSaver::mob_stanD_withMask(vector<double> Scale_distance) {
 
 	vector<string> vettoreSupporto;
-	map <string,string> map;
+	map<string, string> map;
 
 	if (Scale_distance.size() == 0)
-			ERROR("Vector standard deviation empty!", exception);
+		ERROR("Vector standard deviation empty!", exception);
+
+	ofstream fout(out.c_str(), ofstream::app);
 
-		ofstream fout(out.c_str(), ofstream::app);
+	if (!fout)
+		ERROR("Could not open file for writing.", error);
 
-		if (!fout)
-			ERROR("Could not open file for writing.", error);
+	if (verbose)
+		cout << "\n ### Save on file standard deviation with Mask ###" << endl;
 
-		if (verbose)
-			cout
-					<< "\n ### Save on file standard deviation with Mask ###"
-					<< endl;
-
-		fout << endl;
-		fout << "> Standard deviation distance with mask 1" << endl;
-
-
-		const pair <string,string> product1 ("M.MM",  "MMMM");
-		const pair <string,string> product2 ("MM.M",  "MMMM");
-		const pair <string,string> product3 ("M..MM", "MMMMM");
-		const pair <string,string> product4 ("MM..M", "MMMMM");
-		const pair <string,string> product5 (".M.M.", ".....");
-		const pair <string,string> product6 ("..M..", ".....");
-		const pair <string,string> product7 ("..MM..","......");
-
-		map.insert(product1);
-		map.insert(product2);
-		map.insert(product3);
-		map.insert(product4);
-		map.insert(product5);
-		map.insert(product6);
-		map.insert(product7);
-
-
-		for (vector<double>::iterator walk = Scale_distance.begin();
-				walk != Scale_distance.end(); walk++) {
-			if (*(walk) > 0.09)
-				vettoreSupporto.push_back("M");
-			else
-				vettoreSupporto.push_back(".");
-		}
+	fout << endl;
+	fout << "> Standard deviation distance with mask 1" << endl;
+
+	const pair<string, string> product1("M.MM", "MMMM");
+	const pair<string, string> product2("MM.M", "MMMM");
+	const pair<string, string> product3("M..MM", "MMMMM");
+	const pair<string, string> product4("MM..M", "MMMMM");
+	const pair<string, string> product5(".M.M.", ".....");
+	const pair<string, string> product6("..M..", ".....");
+	const pair<string, string> product7("..MM..", "......");
+
+	map.insert(product1);
+	map.insert(product2);
+	map.insert(product3);
+	map.insert(product4);
+	map.insert(product5);
+	map.insert(product6);
+	map.insert(product7);
 
-		string test;
+	for (vector<double>::iterator walk = Scale_distance.begin();
+			walk != Scale_distance.end(); walk++) {
+		if (*(walk) > 0.09)
+			vettoreSupporto.push_back("M");
+		else
+			vettoreSupporto.push_back(".");
+	}
 
-		vector<string>::iterator mob = vettoreSupporto.begin();
-		std::map <string, string> :: iterator iter= map.begin();
+	string test;
 
+	vector<string>::iterator mob = vettoreSupporto.begin();
+	std::map<string, string>::iterator iter = map.begin();
 
-		int i;
-		bool flag;
-		vector <string>::iterator j;
+	int i;
+	bool flag;
+	vector<string>::iterator j;
 
 	while (mob != vettoreSupporto.end()) {
 
 		i = 0;
 		flag = true;
 		test.clear();
-		j=mob;
+		j = mob;
 
 		while (j != vettoreSupporto.end() && i < 6 && flag) {
 
 			test = test + (*(j));
-			if(verbose)
-			cout << test  << endl;
+			if (verbose)
+				cout << test << endl;
 			iter = map.find(test);
-			    if (iter != map.end()){
-			    	if(verbose)
-			    	cout << "Trovato" << test << endl;
-			        test = iter->second;
-			        flag=false;
-			    }
-
-			    j++;
-			    i++;
+			if (iter != map.end()) {
+				if (verbose)
+					cout << "Trovato" << test << endl;
+				test = iter->second;
+				flag = false;
+			}
+
+			j++;
+			i++;
 		}
 
-		if(!flag){
+		if (!flag) {
 			fout << test;
-			mob=j;
-		}else{
+			mob = j;
+		} else {
 			fout << *(mob);
 			mob++;
 		}
 
-
 	}
 
+	fout.close();
 
-
-		fout.close();
-
-		if (verbose)
-			cout << "Mobility from standard deviation whith mask saved!" << endl;
+	if (verbose)
+		cout << "Mobility from standard deviation whith mask saved!" << endl;
 
 }
 
+/**
+ * save all type of mobility
+ * @param vector <double>,  vector average scaled distance
+ * @param vector <double>,  vector Scaled Distance
+ * @param vector <double>, angle phi
+ * @param vector <double>, angle psi
+ * @param vector<char> , secondary structures
+ *
+ * @return void
+ */
 void MobiSaver::allMobility(vector<double> everageDistance,
 		vector<double> Scale_distance, vector<double> angle_PHI,
 		vector<double> angle_PSI, vector<char> Mob_SecStructure) {
 
 	mob_eveScalD(everageDistance);
 	mob_eveScalD_filtSecS(everageDistance, Mob_SecStructure);
-	mob_eveScalD_filteredByPHI_PSI_standD(everageDistance, angle_PHI, angle_PSI, Scale_distance);
+	mob_eveScalD_filteredByPHI_PSI_standD(everageDistance, angle_PHI, angle_PSI,
+			Scale_distance);
 	mob_stanD(Scale_distance);
 	mob_stanD_withMask(Scale_distance);
 	mob_aPHI(angle_PHI);
diff --git a/Mobi/Sources/MobiSaver.h b/Mobi/Sources/MobiSaver.h
index 4eda57f..e10d72b 100644
--- a/Mobi/Sources/MobiSaver.h
+++ b/Mobi/Sources/MobiSaver.h
@@ -1,13 +1,31 @@
-/*
- * MobiSaver.h
- *
- *  Created on: 22 lug 2015
- *      Author: riccardo
+/*  This file is part of Victor.
+
+    Victor is free software: you can redistribute it and/or modify
+    it under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    Victor is distributed in the hope that it will be useful,
+    but WITHOUT ANY WARRANTY; without even the implied warranty of
+    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+    GNU General Public License for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with Victor.  If not, see <http://www.gnu.org/licenses/>.
+ */
+
+/**
+ * @file MobiSaver.h
+ * @author Riccardo Zanella
+ * @date 21 lug 2015
+ * @version 0.1
  */
 
+
 #ifndef MOBI_SOURCES_MOBISAVER_H_
 #define MOBI_SOURCES_MOBISAVER_H_
 
+//Includes:
 #include <Saver.h>
 #include <ProteinModels.h>
 #include <vector>
@@ -21,11 +39,20 @@ using namespace Victor::Biopool;
 namespace Victor {
 namespace Mobi {
 
+/**@brief Implements a MobiSaver.
+ * This class inherit Saver class. This class allow to Saver in output file all type of vector generated from
+ * Standard Deviation and SecondaryStructure classes to have the mobility.
+ * You can save Mobility also filtered by same type of mask.
+ */
+
 class MobiSaver : public Saver{
 public:
+
+	// CONSTRUCTORS/DESTRUCTOR:
 	MobiSaver(ProteinModels __protein,string __output, bool __verbose = false);
 	virtual ~MobiSaver();
 
+	// PREDICATES:
 
 	void mob_eveScalD(vector <double> __everageDistance);
 	void mob_eveScalD_filtSecS(vector <double> __everageDistance, vector<char> __mobSecS);
diff --git a/Mobi/Sources/ProteinModels.cc b/Mobi/Sources/ProteinModels.cc
index d781cfb..1ebc9fb 100644
--- a/Mobi/Sources/ProteinModels.cc
+++ b/Mobi/Sources/ProteinModels.cc
@@ -1,31 +1,72 @@
+/*
+ @file    ProteinModels.cc
+ @author  Riccardo Zanella, riccardozanella89@gmail.com
+ @version 1.0
+ */
+
+/*  This file is part of Victor.
+
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ GNU General Public License for more details.
+
+ You should have received a copy of the GNU General Public License
+ along with Victor.  If not, see <http://www.gnu.org/licenses/>.
+ */
+
+// Includes:
 #include <iostream>
 #include <ProteinModels.h>
 #include <String2Number.h>
 #include <PdbSaver.h>
 
-
 using namespace Victor;
 using namespace Victor::Mobi;
 using namespace Victor::Biopool;
 
 const string PDB = ".pdb";
 
-ProteinModels::ProteinModels() : Protein(), verbose(false) {}
+// CONSTRUCTORS/DESTRUCTOR:
 
-ProteinModels::ProteinModels(const Protein& _orig) : Protein(_orig), verbose(false) {}
+/**
+ *   Default Constructor
+ * @param nothing.
+ */
+ProteinModels::ProteinModels() :
+		Protein(), verbose(false) {
+}
 
-ProteinModels::~ProteinModels() {}
+/**
+ *  Constructor. Copy another Protein object.
+ *@param Protein
+ */
+ProteinModels::ProteinModels(const Protein& _orig) :
+		Protein(_orig), verbose(false) {
+}
+
+/**
+ *  DESTRUCTOR
+ *@param none
+ */
+ProteinModels::~ProteinModels() {
+}
 
 // PREDICATES:
 
 /**
- *   Return a pointer to the Spacer with the requested chainID
- * @param c (char), the chainID
- * @return A pointer to the Spacer
+ Overloading method load, this method load all models in Protein Models Object
+ @param  (PdbLoader&) , object PdbLoader
+ @return void
  */
 void ProteinModels::load(PdbLoader& pl) {
 
-	unsigned int d=0;
+	unsigned int d = 0;
 
 	if (!verbose)
 		pl.setNoVerbose();
@@ -38,94 +79,86 @@ void ProteinModels::load(PdbLoader& pl) {
 		this->Protein::load(pl);
 	}
 
-	if (this->size()!=0){
-	//riempio il mio vettore dei modelli originali
-	for (unsigned int i = 0; i < this->size(); i++)
-		original_models.push_back(*(this->getSpacer(i)));
+	if (this->size() != 0) {
+		for (unsigned int i = 0; i < this->size(); i++)
+			original_models.push_back(*(this->getSpacer(i)));
 
-	//riempio il mio vettore delle sequenze
-	for (unsigned int i = 0; i < this->getSpacer(d)->sizeAmino(); i++)
+		for (unsigned int i = 0; i < this->getSpacer(d)->sizeAmino(); i++)
 			sequence.push_back(this->getSpacer(d)->getAmino(i).getType1L());
 
-
-
-
-	if (verbose)
-	 		 cout << "\n" << "Modelli caricati nella proteina" << endl;
+		if (verbose)
+			cout << "\n" << "Models load in protein" << endl;
 	}
 }
 
-
 /**
- *   Return a pointer to the Spacer with the requested chainID
- * @param c (char), the chainID
- * @return A pointer to the Spacer
+ Chose how much models do you want load
+ @param  (PdbLoader&) , object PdbLoader
+ @return unsigned int
  */
-unsigned int ProteinModels::selectModels(PdbLoader& pl){
-
-	 unsigned int modelNum;
-	 string input;
-
-
-	 cout << "Quanti ne vuoi caricare? Inserisci un valore compreso tra 2 e ";
-	 cout << pl.getMaxModels() << endl;
+unsigned int ProteinModels::selectModels(PdbLoader& pl) {
 
+	unsigned int modelNum;
+	string input;
 
-	 getline(cin, input);
+	cout << "Quanti ne vuoi caricare? Inserisci un valore compreso tra 2 e ";
+	cout << pl.getMaxModels() << endl;
 
+	getline(cin, input);
 
-	 modelNum = stouiDEF(input);
+	modelNum = stouiDEF(input);
 
-	 while (modelNum > pl.getMaxModels() || modelNum < 2)
-		{
-		 cerr << "Number of models selected out of bounds! Reinput please..." << endl;
-		 getline(cin, input);
-		 modelNum = stouiDEF(input);
+	while (modelNum > pl.getMaxModels() || modelNum < 2) {
+		cerr << "Number of models selected out of bounds! Reinput please..."
+				<< endl;
+		getline(cin, input);
+		modelNum = stouiDEF(input);
 
-		}
-
-	 return modelNum;
+	}
 
- }
+	return modelNum;
 
+}
 
 /**
- *   Return a pointer to the Spacer with the requested chainID
- * @param c (char), the chainID
- * @return A pointer to the Spacer
+ Load same models
+ @param (PdbLoader&) , object PdbLoader
+ @return void
  */
-void ProteinModels::loadSameModels(PdbLoader& pl){
+void ProteinModels::loadSameModels(PdbLoader& pl) {
 
-		unsigned int d;
-		 unsigned int modelNum = selectModels(pl);
+	unsigned int d;
+	unsigned int modelNum = selectModels(pl);
 
- 		 for (unsigned int i=1; i<= modelNum; i++)
- 		     {
- 			 	 if (verbose)
- 			 		 cout << "\t>>>model#" << i << endl;
- 		    	 pl.setModel(i);		  //dal pdb loader scelgo il modello da caricare nella proteina
- 		    	 pl.checkModel();
- 		    	 this->Protein::load(pl);          // creates the Protein object
- 		     }
-
- 		 if (this->size()!=0){
- 		for (unsigned int i = 0; i < this->size(); i++)
- 				original_models.push_back(*(this->getSpacer(i)));
+	for (unsigned int i = 1; i <= modelNum; i++) {
+		if (verbose)
+			cout << "\t>>>model#" << i << endl;
+		pl.setModel(i);	//dal pdb loader scelgo il modello da caricare nella proteina
+		pl.checkModel();
+		this->Protein::load(pl);          // creates the Protein object
+	}
 
- 		//riempio il mio vettore delle sequenze
- 			for (unsigned int i = 0; i < this->getSpacer(d)->sizeAmino(); i++)
- 					sequence.push_back(this->getSpacer(d)->getAmino(i).getType1L());
+	if (this->size() != 0) {
+		for (unsigned int i = 0; i < this->size(); i++)
+			original_models.push_back(*(this->getSpacer(i)));
 
+		for (unsigned int i = 0; i < this->getSpacer(d)->sizeAmino(); i++)
+			sequence.push_back(this->getSpacer(d)->getAmino(i).getType1L());
 
- 		 if (verbose)
- 		 cout << "\n" << "Modelli caricati nella proteina" << endl;
- 		}
- }
+		if (verbose)
+			cout << "\n" << "Models load in protein" << endl;
+	}
+}
 
-/*procedura che stampa su file il vettore di spacer*/
-void ProteinModels::printModels(string outputFile){
+/**
+ Save vector of models in output file
+ @param (string output) , name of output file
+ @return void
+ */
+void ProteinModels::printModels(string outputFile) {
 
-	ofstream fout;			//stream in output
+	/**stream in output*/
+	ofstream fout;
 	string outputFile_1;
 	PdbSaver ps(fout);
 	const string VECTOR = "Vector";
@@ -133,7 +166,7 @@ void ProteinModels::printModels(string outputFile){
 	unsigned int i = 0;
 
 	if (verbose)
-		cout<<"\n ###Salvataggio su file dei modelli ###"<<endl;
+		cout << "\n ###Save models on file ###" << endl;
 	vector<Spacer>::iterator walk = models.begin();
 	while (walk != models.end()) {
 
@@ -153,24 +186,29 @@ void ProteinModels::printModels(string outputFile){
 			fout.close();
 
 			if (verbose)
-				cout << "file chiuso" << endl;
+				cout << "file cloased" << endl;
 		}
 	}
 
 }
 
-void ProteinModels::save(string outputFile){
+/**
+ Overloading method save, save models in output file
+ @param (string output) , name of output file
+ @return void
+ */
+void ProteinModels::save(string outputFile) {
 
-	ofstream fout;			//stream in output
+	/**stream in output*/
+	ofstream fout;
 	string outputFile_1;
 	PdbSaver ps(fout);
 
 	if (verbose)
-				cout << "Salvataggio dei modelli su file..." << endl;
+		cout << "Save models on file..." << endl;
 	// Open the proper output stream (file or stdout)
 	for (unsigned int i = 0; i < this->size(); i++) {
 
-
 		outputFile_1 = outputFile + (itosDEF(i)) + PDB;
 
 		if (verbose)
@@ -187,27 +225,30 @@ void ProteinModels::save(string outputFile){
 		fout.close();
 
 		if (verbose)
-			cout << "file chiuso." << endl;
+			cout << "file closed." << endl;
 	}
 	if (verbose)
-				cout << " " << endl;
+		cout << " " << endl;
 
 }
 
-
-
+/**
+ Remove file created by save method
+ @param (string output) , name of output file
+ @return void
+ */
 void ProteinModels::remove(string outputFile) {
 
 	string outputFile_1;
 
 	if (verbose)
-		cout << "Cancellazione file..." << endl;
+		cout << "Deleting file..." << endl;
 	// Open the proper output stream (file or stdout)
 	for (unsigned int i = 0; i < this->size(); i++) {
 
 		outputFile_1 = outputFile + (itosDEF(i)) + PDB;
-		if(std::remove(outputFile_1.c_str())!=0)
-			ERROR("File don't deleted! ",exception);
+		if (std::remove(outputFile_1.c_str()) != 0)
+			ERROR("File don't deleted! ", exception);
 
 	}
 	if (verbose)
@@ -215,12 +256,21 @@ void ProteinModels::remove(string outputFile) {
 
 }
 
-void ProteinModels::addModels(Spacer& sp){
+/**
+ Add Spacer in object ProteinModels
+ @param (Spacer&) , object Spacer
+ @return void
+ */
+void ProteinModels::addModels(Spacer& sp) {
 	this->models.push_back(sp);
 
 }
 
-
+/**
+ Get Spacer from Protein Models
+ @param (unsigned int) , number of Spacer (range 0/number Spacer)
+ @return Spacer
+ */
 Spacer ProteinModels::getModel(unsigned int u) {
 	return this->models[u];
 }
diff --git a/Mobi/Sources/ProteinModels.h b/Mobi/Sources/ProteinModels.h
index 2dafa96..6c3ecb4 100644
--- a/Mobi/Sources/ProteinModels.h
+++ b/Mobi/Sources/ProteinModels.h
@@ -1,53 +1,51 @@
 /* This file is part of Victor
-Victor is free software: you can redistribute it and/or modify
-it under the terms of the GNU General Public License as published by
-the Free Software Foundation, either version 3 of the License, or
-(at your option) any later version.
-Victor is distributed in the hope that it will be useful,
-but WITHOUT ANY WARRANTY; without even the implied warranty of
-MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
-GNU General Public License for more details.
-You should have received a copy of the GNU General Public License
-along with Victor. If not, see <http://www.gnu.org/licenses/>.
-*/
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+ You should have received a copy of the GNU General Public License
+ along with Victor. If not, see <http://www.gnu.org/licenses/>.
+ */
+
 /**
-* @file PreteinModel.h
-* @author Riccardo Zanella
-* @date Lug 2015
-* @version 0.1
-*/
+ * @file PreteinModel.h
+ * @author Riccardo Zanella
+ * @date Lug 2015
+ * @version 0.1
+ */
+
 #ifndef MOBI_SOURCES_PROTEINMODEL_
 #define MOBI_SOURCES_PROTEINMODEL_
 
+//Includes:
 #include<Protein.h>
 #include<PdbLoader.h>
 
-
 using namespace Victor::Biopool;
 
-namespace Victor { namespace Mobi {
+namespace Victor {
+namespace Mobi {
 /**
-* @brief Extends Protein class with functionalities related to manipulation of NMR model and models comparations.
-* Scale Distance metric is provided.
-*/
-class ProteinModels : public Protein{
-
+ * @brief Extends Protein class with functionalities related to manipulation of NMR model and models comparations.
+ * Scale Distance metric is provided.
+ */
+class ProteinModels: public Protein {
 
 public:
 
-	 // CONSTRUCTORS/DESTRUCTOR:
+	// CONSTRUCTORS/DESTRUCTOR:
 	ProteinModels();
 
 	ProteinModels(const Protein& _orig);
 
 	virtual ~ProteinModels();
 
-
-
 	// PREDICATES:
 
-	//void load(PdbLoader& pl, char chain, vector<unsigned int> models);
-
 	virtual void load(PdbLoader& pl);
 
 	unsigned int selectModels(PdbLoader& pl);
@@ -73,9 +71,9 @@ class ProteinModels : public Protein{
 	bool verbose;
 
 public:
-	vector <Spacer> original_models;
-	vector <Spacer> models;
-	vector <char> sequence;
+	vector<Spacer> original_models;
+	vector<Spacer> models;
+	vector<char> sequence;
 
 };
 }
diff --git a/Mobi/Sources/ProteinModels.o b/Mobi/Sources/ProteinModels.o
index d63ffc9ab92216ee979130cf54bc9831589c7113..7d831416773c7e34753c197cd85684cee5ff6be9 100644
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zwS2tiW&=&hV%LhGj4awlfKEc~`G`)z?Mcv9O!maZatu{zok}p%235mN8$x-236^T1
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z%^P$CMdrs)k9#zk!*H2nC^Ffh;H}L9zgq%B1)XOsvUCLMAWIw3F{q0jCWbg9O|<Ra
zg6Y9#emnI8e-<Wp?5~T=d8vL_*G?z!%%udm(!TVbsMyXAn-{oq`De<?@hfMEPD|_R
zwMwpPxsjmHWbcheqEY$DkKxtglE7%mD?UEy7q|R$K18D^Pu-`l<>c*3;?(UsoVp<0
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diff --git a/Mobi/Sources/SecondaryStructure.cc b/Mobi/Sources/SecondaryStructure.cc
index 670d0ea..ee2dbbe 100644
--- a/Mobi/Sources/SecondaryStructure.cc
+++ b/Mobi/Sources/SecondaryStructure.cc
@@ -1,24 +1,54 @@
 /*
- * SecondaryStructure.cc
- *
- *  Created on: 21 lug 2015
- *      Author: riccardo
+ @file    ProteinModels.cc
+ @author  Riccardo Zanella, riccardozanella89@gmail.com
+ @version 1.0
  */
 
+/*  This file is part of Victor.
 
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ GNU General Public License for more details.
+
+ You should have received a copy of the GNU General Public License
+ along with Victor.  If not, see <http://www.gnu.org/licenses/>.
+ */
+
+// Includes:
 #include "SecondaryStructure.h"
 
 using namespace Victor;
 using namespace Victor::Mobi;
 using namespace Victor::Biopool;
 
-SecondaryStructure::SecondaryStructure(const ProteinModels& modelli ,bool verbose) :
-	 verbose(verbose), models(modelli.original_models) {}
-
-SecondaryStructure::~SecondaryStructure() {}
+// CONSTRUCTORS/DESTRUCTOR:
 
+/**
+ *   Default Constructor
+ * 	 @param ( ProteinModels& ), object PreteinModels .
+ */
+SecondaryStructure::SecondaryStructure(const ProteinModels& modelli,
+		bool verbose) :
+		verbose(verbose), models(modelli.original_models) {
+}
 
+/**
+ *   Default Deconstructor
+ * 	 @param ( ProteinModels& ), object PreteinModels .
+ */
+SecondaryStructure::~SecondaryStructure() {
+}
 
+/**
+ * get the mobility analyzing secondary structures
+ * @return vector<char> , return vector of mobility from Secondary Structure
+ */
 vector<char> SecondaryStructure::getMobilitySecondaryStructure() {
 
 	mobility.clear();
@@ -26,9 +56,7 @@ vector<char> SecondaryStructure::getMobilitySecondaryStructure() {
 	if (models.size() != 0)
 		num_amino = models[0].sizeAmino();
 	else
-		ERROR(
-				"Nessun modello presente nella proteina, si ricorda di caricare dei modelli.",
-				exception);
+		ERROR("Nothing models in the protein, remember load models.", exception);
 
 	//create a support vector to get secondary structure
 	vector<set<char> > vettore_di_supporto(num_amino, set<char>());
@@ -45,7 +73,7 @@ vector<char> SecondaryStructure::getMobilitySecondaryStructure() {
 	for (unsigned int i = 0; i < models.size(); i++) {
 
 		if (verbose)
-			cout << "Models number: " << i <<endl;
+			cout << "Models number: " << i << endl;
 		models[i].setDSSP(false);
 		vettore_di_supporto = models[i].getDSSP();
 		//cout << "support vector size: " << vettore_di_supporto.size() << endl;
@@ -59,69 +87,62 @@ vector<char> SecondaryStructure::getMobilitySecondaryStructure() {
 
 	}
 
+	char test;
+	bool flag;
 
+	for (unsigned int i = 0; i < num_amino; i++) {
 
+		test = sec_Structures[i][0];
+		flag = true;
 
+		//if the first letter is empty or is a S
+		if ((test != 'G') && (test != 'H') && (test != 'I') && (test != 'T')
+				&& (test != 'E') && (test != 'B')) {
+			//verifing that is all S and/or empty space.
 
+			for (unsigned int j = 0; j < models.size(); j++) {
 
-		char test;
-		bool flag;
-
-		for (unsigned int i = 0; i < num_amino; i++) {
-
-			test = sec_Structures[i][0];
-			flag = true;
+				if ((sec_Structures[i][j] != 'G')
+						&& (sec_Structures[i][j] != 'H')
+						&& (sec_Structures[i][j] != 'I')
+						&& (sec_Structures[i][j] != 'T')
+						&& (sec_Structures[i][j] != 'E')
+						&& (sec_Structures[i][j] != 'B')) {
+				} else {
 
-			//se la prima lettera è vuota oppure è una S
+					mobility.push_back('M');
+					flag = false;
+					break;
 
-			if ((test != 'G') && (test != 'H') && (test != 'I') && (test != 'T')
-					&& (test != 'E') && (test != 'B')) {
-				//verifico che siano tutte S e/o vuote
-
-				for (unsigned int j = 0; j < models.size(); j++) {
-
-					if ((sec_Structures[i][j] != 'G')
-							&& (sec_Structures[i][j] != 'H')
-							&& (sec_Structures[i][j] != 'I')
-							&& (sec_Structures[i][j] != 'T')
-							&& (sec_Structures[i][j] != 'E')
-							&& (sec_Structures[i][j] != 'B')) {
-					} else {
-
-						mobility.push_back('M');
-						flag = false;
-						break;
-
-					}
-
-				}
-				if (flag) {
-					mobility.push_back('c');
 				}
-				//la prima lettera è una lettera di struttura
-			} else {
 
-				//verifico che siano tutte uguali a test
-				for (unsigned int j = 0; j < models.size(); j++) {
+			}
+			if (flag) {
+				mobility.push_back('c');
+			}
+			//the first letter is the letter of Secondary Structure
+		} else {
 
-					if ((sec_Structures[i][j] == test)) {
-					} else {
+			//verifing that all letter is the same
+			for (unsigned int j = 0; j < models.size(); j++) {
 
-						mobility.push_back('M');
-						flag = false;
-						break;
+				if ((sec_Structures[i][j] == test)) {
+				} else {
 
-					}
+					mobility.push_back('M');
+					flag = false;
+					break;
 
 				}
-				if (flag) {
-					mobility.push_back('.');
-				}
 
 			}
+			if (flag) {
+				mobility.push_back('.');
+			}
 
 		}
 
+	}
 
 	return mobility;
 }
diff --git a/Mobi/Sources/SecondaryStructure.h b/Mobi/Sources/SecondaryStructure.h
index 37c6055..4d3b7bd 100644
--- a/Mobi/Sources/SecondaryStructure.h
+++ b/Mobi/Sources/SecondaryStructure.h
@@ -18,36 +18,36 @@
  * @version 0.1
  */
 
-/*
- * SecondaryStructure.h
- *
- *  Created on: 21 lug 2015
- *      Author: riccardo
- */
-
+// Includes:
 #ifndef MOBI_SOURCES_SECONDARYSTRUCTURE_H_
 #define MOBI_SOURCES_SECONDARYSTRUCTURE_H_
 
-
 #include<ProteinModels.h>
 
-
 using namespace Victor::Biopool;
 
 namespace Victor {
 namespace Mobi {
 
+/**@brief Implements a Secondary Structure.
+ * Includes methods to obtain mobility from the analyze of Secondary Structure.
+ */
+
 class SecondaryStructure {
 public:
-	SecondaryStructure(const ProteinModels& _orig , bool _verbose = false);
+
+	// CONSTRUCTORS/DESTRUCTOR:
+
+	SecondaryStructure(const ProteinModels& _orig, bool _verbose = false);
 	virtual ~SecondaryStructure();
 
-	vector <char> getMobilitySecondaryStructure();
+	// PREDICATES:
+	vector<char> getMobilitySecondaryStructure();
 
 private:
 	bool verbose;
-	vector <Spacer> models;
-	vector <char> mobility;
+	vector<Spacer> models;
+	vector<char> mobility;
 
 };
 }
diff --git a/Mobi/Sources/StandardDeviation.cc b/Mobi/Sources/StandardDeviation.cc
index b960638..e3a44d9 100644
--- a/Mobi/Sources/StandardDeviation.cc
+++ b/Mobi/Sources/StandardDeviation.cc
@@ -1,22 +1,56 @@
 /*
- * ScaleDistance.cc
- *
- *  Created on: 11 lug 2015
- *      Author: riccardo
+ @file    StandardDeviation.cc
+ @author  Riccardo Zanella, riccardozanella89@gmail.com
+ @version 1.0
+ */
+
+/*  This file is part of Victor.
+
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ GNU General Public License for more details.
+
+ You should have received a copy of the GNU General Public License
+ along with Victor.  If not, see <http://www.gnu.org/licenses/>.
  */
+
+// Includes:
 #include "StandardDeviation.h"
 
 using namespace Victor;
 using namespace Victor::Mobi;
 using namespace Victor::Biopool;
 
-StandardDeviation::StandardDeviation(const ProteinModels& modelli ,bool verbose) :
-	 verbose(verbose), original_models(modelli.original_models) ,models(modelli.models) {}
+// CONSTRUCTORS/DESTRUCTOR:
 
-StandardDeviation::~StandardDeviation() {
+/**
+ *   Default Constructor
+ * @param (const ProteinModels&), object ProteinModels
+ * @param (bool verbose),  verbose
+ */
+StandardDeviation::StandardDeviation(const ProteinModels& modelli, bool verbose) :
+		verbose(verbose), original_models(modelli.original_models), models(
+				modelli.models) {
 }
 
+/**
+ *  DESTRUCTOR
+ *@param none
+ */
+StandardDeviation::~StandardDeviation() {
+}
 
+/**
+ * internal method, take atom from spacer
+ * @param (Spacer* s), pointer to the spacer object
+ * @param (bool flag),  internal flag
+ */
 void StandardDeviation::getCaAtom(Spacer* s, bool flag) {
 
 //per un modello fissato creo il vettore di atomi
@@ -25,7 +59,6 @@ void StandardDeviation::getCaAtom(Spacer* s, bool flag) {
 	for (unsigned int u = 0; u < s->sizeAmino(); u++) {
 		a = &(s->getAmino(u));
 
-
 		unsigned int i = 1;
 
 		if (flag)
@@ -40,200 +73,184 @@ void StandardDeviation::getCaAtom(Spacer* s, bool flag) {
 
 }
 
-vector <double> StandardDeviation::get_everage_distance(){
+/**
+ * Get average distance Scale Distance
+ * @return vector <double>
+ *
+ */
+vector<double> StandardDeviation::get_everage_distance() {
 
+	/** vector average Scale Distance*/
 	dist_everage.clear();
 
 	Spacer* primo_modello = new Spacer;
 	Spacer* secondo_modello = new Spacer;
 
-			unsigned int num_atomi = 0;
-			double ScalD, distance= -1.0;
-
-			if (models.size() != 0)
-				num_atomi = models[0].sizeAmino();
-			else
-				ERROR("Nessun modello presente nella proteina, si ricorda di eseguire TmImpose.", exception);
-
-
+	unsigned int num_atomi = 0;
+	double ScalD, distance = -1.0;
 
+	if (models.size() != 0)
+		num_atomi = models[0].sizeAmino();
+	else
+		ERROR("ProteinModels empty, remember execute TmImpose.", exception);
 
-			vector<vector<double> > dist_from_Ca_atoms(num_atomi,
-					vector<double>(0.0));
-
-
-
-			if (verbose){
-				cout << "Numero di modelli presenti: " << models.size() << endl;
-				cout << "Ogni modello ha un numero di atomi pari a: " << num_atomi << endl;
-			}
-			//scorro i modelli e per ognuno creo il vettore di atomi
-			unsigned int u = 0;
-
-			while (u < (models.size())) {
-
-				primo_modello = &models[u];
-				getCaAtom(primo_modello, true);
-				u++;
-
-				secondo_modello = &models[u];
-				getCaAtom(secondo_modello, false);
-				u++;
+	vector<vector<double> > dist_from_Ca_atoms(num_atomi, vector<double>(0.0));
 
+	if (verbose) {
+		cout << "Number of models: " << models.size() << endl;
+		cout << "Number of atoms in each models: " << num_atomi << endl;
+	}
 
-				for (unsigned int i = 0; i < num_atomi; i++) {
-					distance = CaVector1[i].distance(CaVector2[i]);
-					ScalD = 1.0 / (1.0 + ( pow ((distance/4.0), 2.0)));
-					dist_from_Ca_atoms[i].push_back(ScalD);
-					}
+	//for any models create atom's vector
+	unsigned int u = 0;
 
+	while (u < (models.size())) {
 
-				CaVector1.clear();
-				CaVector2.clear();
+		primo_modello = &models[u];
+		getCaAtom(primo_modello, true);
+		u++;
 
-			}
+		secondo_modello = &models[u];
+		getCaAtom(secondo_modello, false);
+		u++;
 
+		for (unsigned int i = 0; i < num_atomi; i++) {
+			distance = CaVector1[i].distance(CaVector2[i]);
+			ScalD = 1.0 / (1.0 + (pow((distance / 4.0), 2.0)));
+			dist_from_Ca_atoms[i].push_back(ScalD);
+		}
 
+		CaVector1.clear();
+		CaVector2.clear();
 
-				int count;
-				double sum;
-				for (unsigned int i = 0; i < num_atomi; i++) {
-					count=0;
-					sum=0;
-					vector<double>::iterator atom = dist_from_Ca_atoms[i].begin();
-					while (atom != dist_from_Ca_atoms[i].end()){
+	}
 
-						sum = sum + (*atom);
+	int count;
+	double sum;
+	for (unsigned int i = 0; i < num_atomi; i++) {
+		count = 0;
+		sum = 0;
+		vector<double>::iterator atom = dist_from_Ca_atoms[i].begin();
+		while (atom != dist_from_Ca_atoms[i].end()) {
 
-						atom++;
-						count++;
-					}
-					dist_everage.push_back((sum / count));
+			sum = sum + (*atom);
 
+			atom++;
+			count++;
+		}
+		dist_everage.push_back((sum / count));
 
-				}
+	}
 
-return dist_everage;
+	return dist_everage;
 
 }
 
-vector <double> StandardDeviation::get_standard_deviation(){
+/**
+ * Get standard deviation from Scale Distance
+ * @return vector <double>
+ */
+vector<double> StandardDeviation::get_standard_deviation() {
 
 	dist_everage.clear();
 	ScD.clear();
 
 	Spacer* primo_modello = new Spacer;
-		Spacer* secondo_modello = new Spacer;
-
-		unsigned int num_atomi = 0;
-		double ScalD, distance= -1.0;
+	Spacer* secondo_modello = new Spacer;
 
-		if (models.size() != 0)
-			num_atomi = models[0].sizeAmino();
-		else
-			ERROR("Nessun modello presente nella proteina, si ricorda di eseguire TmImpose.", exception);
+	unsigned int num_atomi = 0;
+	double ScalD, distance = -1.0;
 
+	if (models.size() != 0)
+		num_atomi = models[0].sizeAmino();
+	else
+		ERROR("ProteinModels empty, remember execute TmImpose.", exception);
 
+	vector<vector<double> > dist_from_Ca_atoms(num_atomi, vector<double>(0.0));
 
+	if (verbose) {
+		cout << "Number of models: " << models.size() << endl;
+		cout << "Number of atoms in each models: " << num_atomi << endl;
+	}
+	//scorro i modelli e per ognuno creo il vettore di atomi
+	unsigned int u = 0;
 
-		vector<vector<double> > dist_from_Ca_atoms(num_atomi,
-				vector<double>(0.0));
+	while (u < (models.size())) {
 
+		primo_modello = &models[u];
+		getCaAtom(primo_modello, true);
+		u++;
 
+		secondo_modello = &models[u];
+		getCaAtom(secondo_modello, false);
+		u++;
 
-		if (verbose){
-			cout << "Numero di modelli presenti: " << models.size() << endl;
-			cout << "Ogni modello ha un numero di atomi pari a: " << num_atomi << endl;
+		for (unsigned int i = 0; i < num_atomi; i++) {
+			distance = CaVector1[i].distance(CaVector2[i]);
+			ScalD = 1.0 / (1.0 + (pow((distance / 4.0), 2.0)));
+			dist_from_Ca_atoms[i].push_back(ScalD);
 		}
-		//scorro i modelli e per ognuno creo il vettore di atomi
-		unsigned int u = 0;
-
-		while (u < (models.size())) {
-
-			primo_modello = &models[u];
-			getCaAtom(primo_modello, true);
-			u++;
 
-			secondo_modello = &models[u];
-			getCaAtom(secondo_modello, false);
-			u++;
+		CaVector1.clear();
+		CaVector2.clear();
 
+	}
 
-			for (unsigned int i = 0; i < num_atomi; i++) {
-				distance = CaVector1[i].distance(CaVector2[i]);
-				ScalD = 1.0 / (1.0 + ( pow ((distance/4.0), 2.0)));
-				dist_from_Ca_atoms[i].push_back(ScalD);
-				}
-
+	int count;
+	double sum;
+	for (unsigned int i = 0; i < num_atomi; i++) {
+		count = 0;
+		sum = 0;
+		vector<double>::iterator atom = dist_from_Ca_atoms[i].begin();
+		while (atom != dist_from_Ca_atoms[i].end()) {
 
-			CaVector1.clear();
-			CaVector2.clear();
+			sum = sum + (*atom);
 
+			atom++;
+			count++;
 		}
+		dist_everage.push_back((sum / count));
 
+	}
 
+	double standDev = -1;
 
-			int count;
-			double sum;
-			for (unsigned int i = 0; i < num_atomi; i++) {
-				count=0;
-				sum=0;
-				vector<double>::iterator atom = dist_from_Ca_atoms[i].begin();
-				while (atom != dist_from_Ca_atoms[i].end()){
-
-					sum = sum + (*atom);
-
-					atom++;
-					count++;
-				}
-				dist_everage.push_back((sum / count));
-
-
-			}
-
-
-
-				double standDev=-1;
-
-
-				vector<double>::iterator everage = dist_everage.begin();
-
-				for (unsigned int i = 0; i < num_atomi; i++) {
-					sum=0;
-					count=0;
-					vector<double>::iterator atom = dist_from_Ca_atoms[i].begin();
-
-
-					while (atom != dist_from_Ca_atoms[i].end()){
-						sum += (pow ( ((*atom) - (*everage) ) , 2.0 ));
-								atom++;
-								count++;
+	vector<double>::iterator everage = dist_everage.begin();
 
-					}
+	for (unsigned int i = 0; i < num_atomi; i++) {
+		sum = 0;
+		count = 0;
+		vector<double>::iterator atom = dist_from_Ca_atoms[i].begin();
 
-					standDev = sqrt(sum / count);
+		while (atom != dist_from_Ca_atoms[i].end()) {
+			sum += (pow(((*atom) - (*everage)), 2.0));
+			atom++;
+			count++;
 
-					ScD.push_back(standDev);
+		}
 
-					everage++;
+		standDev = sqrt(sum / count);
 
+		ScD.push_back(standDev);
 
-				}
+		everage++;
 
+	}
 
 	return ScD;
 }
 
-
+/**
+ * Get standard deviation from angle_PHI
+ * @return vector <double>
+ */
 vector<double> StandardDeviation::get_StandarDev_angle_PHI() {
 
 	double num_amino = 0;
 	double sum = 0;
 
-	//cout << "modelli"  << original_models.size()  << "aminoacidi" << original_models[0].sizeAmino() << endl;
-
 	if (original_models.size() < 2)
-		ERROR("Modelli insufficienti", exception)
+		ERROR("Number of models insufficient", exception)
 	else
 		num_amino = original_models[0].sizeAmino();
 
@@ -242,12 +259,12 @@ vector<double> StandardDeviation::get_StandarDev_angle_PHI() {
 			vector<double>(original_models.size()));
 	vector<double> everage(num_amino);
 
-//calcolo angoli
+//calculate angle
 	for (unsigned int i = 0; i < original_models.size(); i++)
 		for (unsigned int j = 0; j < num_amino; j++)
 			misure_PHI[j][i] = original_models[i].getAmino(j).getPhi();
 
-//calcolo media angoli
+//calculate average angle
 	for (unsigned int j = 0; j < num_amino; j++) {
 		sum = 0;
 
@@ -259,7 +276,7 @@ vector<double> StandardDeviation::get_StandarDev_angle_PHI() {
 
 	}
 
-	//calcolo stadDev
+	//calculate stadDev
 	double standDev = -1;
 
 	for (unsigned int j = 0; j < num_amino; j++) {
@@ -277,16 +294,17 @@ vector<double> StandardDeviation::get_StandarDev_angle_PHI() {
 
 }
 
-
+/**
+ * Get standard deviation from angle_PSI
+ * @return vector <double>
+ */
 vector<double> StandardDeviation::get_StandarDev_angle_PSI() {
 
 	double num_amino = 0;
 	double sum = 0;
 
-	//cout << "modelli"  << original_models.size()  << "aminoacidi" << original_models[0].sizeAmino() << endl;
-
 	if (original_models.size() < 2)
-		ERROR("Modelli insufficienti", exception)
+		ERROR("Number of models insufficient", exception)
 	else
 		num_amino = original_models[0].sizeAmino();
 
@@ -329,7 +347,3 @@ vector<double> StandardDeviation::get_StandarDev_angle_PSI() {
 	return angle_PSI;
 
 }
-
-
-
-
diff --git a/Mobi/Sources/StandardDeviation.h b/Mobi/Sources/StandardDeviation.h
index b9f9237..f39318b 100644
--- a/Mobi/Sources/StandardDeviation.h
+++ b/Mobi/Sources/StandardDeviation.h
@@ -30,41 +30,39 @@ using namespace Victor::Biopool;
 
 namespace Victor {
 namespace Mobi {
-/**
- * @brief Extends Protein class with functionalities related to manipulation of NMR model and models comparations.
- * Scale Distance metric is provided.
- */
+
 class StandardDeviation {
 
+	/**
+	 * @brief Extends Protein class with functionalities related to manipulation of NMR model and models comparations.
+	 * Scale Distance metric is provided.
+	 */
+
 public:
 
 	// CONSTRUCTORS/DESTRUCTOR:
-	StandardDeviation(const ProteinModels& _orig , bool _verbose = false);
+	StandardDeviation(const ProteinModels& _orig, bool _verbose = false);
 
 	virtual ~StandardDeviation();
 
-
-	vector <double> get_everage_distance();
-	vector <double> get_standard_deviation();
-	vector <double> get_StandarDev_angle_PHI();
-	vector <double> get_StandarDev_angle_PSI();
-
+	vector<double> get_everage_distance();
+	vector<double> get_standard_deviation();
+	vector<double> get_StandarDev_angle_PHI();
+	vector<double> get_StandarDev_angle_PSI();
 
 private:
-	void getCaAtom (Spacer* s, bool flag);
-
+	void getCaAtom(Spacer* s, bool flag);
 
 private:
 	bool verbose;
-	vector <Spacer> original_models;
-	vector <Spacer> models;
-	vector <Atom> CaVector1, CaVector2;
-	vector < vector<double> > dist_from_Ca_atoms;
-	vector <double> dist_everage;
-	vector <double> ScD;
-	vector <double> angle_PHI;
-	vector <double> angle_PSI;
-
+	vector<Spacer> original_models;
+	vector<Spacer> models;
+	vector<Atom> CaVector1, CaVector2;
+	vector<vector<double> > dist_from_Ca_atoms;
+	vector<double> dist_everage;
+	vector<double> ScD;
+	vector<double> angle_PHI;
+	vector<double> angle_PSI;
 
 };
 }
diff --git a/Mobi/Sources/TmScore.cc b/Mobi/Sources/TmScore.cc
index 8763f42..ed5875d 100644
--- a/Mobi/Sources/TmScore.cc
+++ b/Mobi/Sources/TmScore.cc
@@ -20,6 +20,8 @@
  * @date Lug 2015
  * @version 0.1
  */
+
+//Includes:
 #include <TmScore.h>
 #include <unistd.h>
 #include <stdlib.h>
@@ -35,27 +37,39 @@ using namespace std;
 
 const string TMTMP_OUT = "TMScore.pdb";
 
-
+/**
+ * @brief  Default Constructor
+ * @param _binary (string) full path to binary TMScore file, must have execution permission
+ * @param _tmp (string) full path to temp dir, must have write permission
+ * @param _tmp bool verbose
+ */
 TmScore::TmScore(string _binary, string output, bool verbose) :
-		binary(_binary), outputTmScore(output + TMTMP_OUT), verbose(verbose) {}
+		binary(_binary), outputTmScore(output + TMTMP_OUT), verbose(verbose) {
+}
 
 //TmScore::TmScore(string _binary, string output, bool verbose) :
 //		binary(_binary), tmp(output.substr(output.length() - 1, 1) == "/" ?
 //						output : output + "/"), verbose(verbose) {
 //}
 
-TmScore::~TmScore(){}
-
-
+TmScore::~TmScore() {
+}
 
+/**
+ *
+ * @param _binary (string) full path to binary TMScore file, must have execution permission
+ * @param _tmp string, path of model file, must have read permission
+ * @param _tmp string, path of native file, must have read permission
+ * @return (Protein*), return pointer to rototraslated protein
+ */
 Protein* TmScore::TmImpose(string modelFile, string nativeFile) {
 
 	Protein* prot = NULL;
-	//se i file sono accessibili in lettura
+	//if have read permission
 	if (access(modelFile.c_str(), R_OK) == 0
 			&& access(nativeFile.c_str(), R_OK) == 0) {
 
-		//se l'eseguibile ha i permessi di esecuzione
+		//if binary have execute permission
 		if (access(binary.c_str(), X_OK) == 0) {
 			pid_t pid;
 			//Pipeing TMS output
@@ -109,13 +123,11 @@ Protein* TmScore::TmImpose(string modelFile, string nativeFile) {
 						}
 					}
 
-
 					buffer.clear();
 
 					//Load from memory buffer
 					PdbLoader pl(buffer);
 
-
 					pl.setNoVerbose();
 
 					pl.setModel(1);
@@ -123,12 +135,8 @@ Protein* TmScore::TmImpose(string modelFile, string nativeFile) {
 
 					prot = new Protein();
 
-
-
 					pl.loadProtein(*prot);
 
-
-
 				}
 			}
 		} else
diff --git a/Mobi/Sources/TmScore.h b/Mobi/Sources/TmScore.h
index 122ac84..01886fb 100644
--- a/Mobi/Sources/TmScore.h
+++ b/Mobi/Sources/TmScore.h
@@ -20,19 +20,17 @@
 #ifndef MOBI_SOURCES_TMSCOREBIN_H_
 #define MOBI_SOURCES_TMSCOREBIN_H_
 
+//Include:
 #include <iostream>
 #include <string>
 #include <ProteinModels.h>
 
-
 using namespace Victor::Biopool;
 using namespace Victor::Mobi;
 using namespace std;
 
-
 extern const string TMTMP_OUT;
 
-
 namespace Victor {
 
 namespace Mobi {
@@ -43,45 +41,16 @@ namespace Mobi {
 
 class TmScore {
 
+	// CONSTRUCTORS/DESTRUCTOR:
 public:
-	/**
-	 * @brief Setup.
-	 * @param _binary (string) full path to binary TMScore file, must have execution permission
-	 * @param _tmp (string) full path to temp dir, must have write permission
-	 */
-	TmScore(string _binary = "TMScore", string output = ".", bool _verbose = false);
-	/**
-	 * @brief Given two pdb files containing each a model of the same protein,
-	 * call TMScore binary to superimpose the first over the second. The superimposed (rotated/traslated)
-	 * model is then loaded in a ProteinModels using the double pointer provided.
-	 * @param modelFile (string) full path to model#1 file
-	 * @param nativeFile (string) full path to model#2 file
-	 * @param imposedModel(ProteinModel**) double pointer of type ProteinModel, as output
-	 */
 
-	Protein* TmImpose(string modelFile, string nativeFile);//, ProteinModels** imposedModel);
-	/**
-	 * @brief Given a ProteinModel call TMScore binary to superimpose two models contained in it.
-	 * The superimposed (rotated/traslated) model is then loaded in a ProteinModel using the double pointer provided.
-	 * @param prot(ProteinModel&) reference to ProteinModel object
-	 * @param model (unsigned int) model#1 name in ProteinModel object
-	 * @param native (unsigned int) model#2 name in ProteinModel object
-	 * @param imposedModel(ProteinModel**) double pointer of type ProteinModel, as output
-	 */
-//	virtual void TMImpose(ProteinModel& prot, unsigned int model,
-//			unsigned int native, ProteinModel** imposedModel);
-//	/**
-//	 * @brief the TMScore output is not pdb conformant. This static method read the output and fix it in a memory buffer.
-//	 * Then loads a ProteinModel with the superimposed model only.
-//	 * @param pdbFile (string) full path to TMScore output
-//	 * @param imposedModel (ProteinModel**) double pointer of type PRoteinModel, as output
-//	 */
-	//Spacer* spacerFromTMOutput(string pdbFile);
-	/**
-//	 * Set verbosity.
-//	 * Verbosity is applied on PdbLoader instances.
-//	 * @param v (bool) new verbosity option
-//	 */
+	TmScore(string _binary = "TMScore", string output = ".", bool _verbose =
+			false);
+
+	// PREDICATES:
+	Protein* TmImpose(string modelFile, string nativeFile);
+
+	// MODIFIERS:
 	void setVerbose(bool v) {
 		verbose = v;
 	}
diff --git a/Mobi/Sources/TmScore.o b/Mobi/Sources/TmScore.o
index 52c023803911d7086b30a41b11617b51a2ee3913..5b7495f22a54511689221f8bd124a5aae28bf8d7 100644
GIT binary patch
delta 73
zcmZ4SmvO~k#tmzj7$;2*6f51V#Jo#@F>~@c5v9rhh0ig@0$Cx95kOLTvYV(OV;Gn<
U8^{U-vp$F>F!pZ_6bsJ)05P>2r~m)}

delta 73
zcmZ4SmvO~k#tmzj7`rA1ij{6wV%{ad7(Mx%h|=W$!si(MfvgZlFCeKr*-g}t(F4qy
U4P-fkSsz3b7~3}oiiKwY0460HQUCw|


From 3ff1fe1cf10c00b96a6a87c09e32e7b67f3fa75d Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Tue, 28 Jul 2015 12:00:47 +0200
Subject: [PATCH 27/61] Commentati metodi di libreria in doxygen assenti

---
 Biopool/Sources/Atom.h       |  19 +++++++++++++++++--
 Biopool/Sources/PdbLoader.h  |  24 ++++++++++++++++++++----
 Biopool/Sources/PdbSaver.h   |   5 +++++
 Biopool/Sources/Protein.h    |  11 +++++++++++
 Biopool/Sources/Spacer.h     |  15 +++++++++++++++
 Mobi/APPS/mobi.cc            |   6 +++---
 Mobi/APPS/mobi.o             | Bin 34992 -> 34960 bytes
 Mobi/Sources/MobiSaver.cc    |   6 +++---
 Mobi/Sources/ProteinModels.h |   5 +++++
 Mobi/Sources/TmScore.h       |   5 +++++
 10 files changed, 84 insertions(+), 12 deletions(-)

diff --git a/Biopool/Sources/Atom.h b/Biopool/Sources/Atom.h
index 3df6f47..6f20f05 100644
--- a/Biopool/Sources/Atom.h
+++ b/Biopool/Sources/Atom.h
@@ -45,6 +45,8 @@ namespace Victor { namespace Biopool {
         virtual ~Atom();
 
         // PREDICATES:
+
+
         AtomCode getCode() const;
         unsigned long getNumber() const;
 
@@ -130,17 +132,30 @@ namespace Victor { namespace Biopool {
     // -----------------x-------------------x-------------------x-----------------
 
     // PREDICATES:
-
+    /**
+            *   Return the code of the Atom
+            * @param none
+            * @return AtomCode
+            */
     inline AtomCode
     Atom::getCode() const {
         return type;
     }
-
+    /**
+            *   Return the number of the Atom in the model
+            * @param none
+            * @return id, id of atom
+            */
     inline unsigned long
     Atom::getNumber() const {
         return id;
     }
 
+    /**
+            *   Return 3D vector with coordinate 3D of the Atom
+            * @param none
+            * @return vgVector3<double>
+            */
     inline vgVector3<double>
     Atom::getCoords() {
         if (!inSync())
diff --git a/Biopool/Sources/PdbLoader.h b/Biopool/Sources/PdbLoader.h
index f4c1bc9..f41505f 100644
--- a/Biopool/Sources/PdbLoader.h
+++ b/Biopool/Sources/PdbLoader.h
@@ -92,19 +92,35 @@ namespace Victor { namespace Biopool {
         void setNonPermissive() {
             permissive = false;
         }
-
+        /**
+        	 You can chose if you want verbose output from this class
+        	 @param  none
+        	 @return void
+        	 */
         void setVerbose() {
             verbose = true;
         }
-
+        /**
+        	 You can chose if you want not verbose output from this class
+        	 @param  none
+        	 @return void
+        	 */
         void setNoVerbose() {
             verbose = false;
         }
-
+	/**
+	 Set the chain that do you want load
+	 @param  char
+	 @return void
+	 */
         void setChain(char _ch) {
             chain = _ch;
         }
-
+     /**
+       set the Model that do you want load
+       @param  unsigned int
+       @return void
+     */
         void setModel(unsigned int _mod) {
             model = _mod;
         }
diff --git a/Biopool/Sources/PdbSaver.h b/Biopool/Sources/PdbSaver.h
index c20220e..c52b8f0 100644
--- a/Biopool/Sources/PdbSaver.h
+++ b/Biopool/Sources/PdbSaver.h
@@ -56,6 +56,11 @@ namespace Victor { namespace Biopool {
 
         // PREDICATES:
 
+        /**
+        	 close the output file
+         	 @param  none
+        	 @return void
+        */
         void endFile() {
             output << "END\n";
         }
diff --git a/Biopool/Sources/Protein.h b/Biopool/Sources/Protein.h
index 0cbe782..d058591 100644
--- a/Biopool/Sources/Protein.h
+++ b/Biopool/Sources/Protein.h
@@ -68,6 +68,17 @@ namespace Victor { namespace Biopool {
         void deleteComponent(Component* c);
 
         void copy(const Protein& orig);
+
+        /**
+         * load one model by Loader object. Use after command PdbLoader.setModel(i) , PdbLoader.checkModel();
+         * @code
+         * 	Loader.setModel(i);
+			Loader.checkModel();
+			this->load(Loader);
+         * @endcode
+         * @param Loader& , loader object
+         * @return void
+         */
         virtual void load(Loader& l); // data loader
 
         virtual Protein* clone();
diff --git a/Biopool/Sources/Spacer.h b/Biopool/Sources/Spacer.h
index 9217341..64ca3aa 100644
--- a/Biopool/Sources/Spacer.h
+++ b/Biopool/Sources/Spacer.h
@@ -160,6 +160,21 @@ namespace Victor { namespace Biopool {
         void setStateFromTorsionAngles();
         void setDSSP(bool verbose);
 
+
+        /**
+         *
+         *  Return a vector of set, each set correspond whit one amino acid.
+         *  Use this command after setDSSP(boool verbose) command.
+         *  Each set contain many information about secondary structure of one amino acid.
+         *  The first letter of the set is the secondary structure.
+         *  @code
+         *  Spacer.setDSSP(false);
+		 *	vector<set<char> > = Spacer.getDSSP();
+         *  @endcode
+         *
+         *	@param none
+         *	@return  vector<set<char> > , a vector of set
+         */
         vector< set<char> > getDSSP() {
             return ss;
         };
diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index 7c05718..064e25a 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -117,10 +117,10 @@ int main(int argc, char* argv[]) {
 	// --------------------------------------------------
 
 	do {
-		cout << "Questo file pdb contiene ";
+		cout << "This file include: ";
 		cout << pl.getMaxModels() << endl;
 
-		cout << "Vuoi caricare tutti i modelli? [y/n]" << endl;
+		cout << "Do you want load all models? [y/n]" << endl;
 		getline(cin, input);
 		//		cin >> input;
 
@@ -172,7 +172,7 @@ int main(int argc, char* argv[]) {
 
 				prot.addModels(*(traslata->getSpacer(d)));
 			} else
-				ERROR("Errore nella creazione della proteina traslata",
+				ERROR("Error in the creation of shift models.",
 						exeption);
 
 			prot.addModels(*(prot.getSpacer(j)));
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index d644061f8ec2450c826cffac9a0d29526a45eab9..ac7b32dac49162020a68fafdaee9a03736448bfc 100644
GIT binary patch
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mm+2=S<~#HUzw<*n?>^adoKD=$mor4aV73<N$Q^8bKl2}mexbJj

diff --git a/Mobi/Sources/MobiSaver.cc b/Mobi/Sources/MobiSaver.cc
index c0f9288..92a2192 100644
--- a/Mobi/Sources/MobiSaver.cc
+++ b/Mobi/Sources/MobiSaver.cc
@@ -32,7 +32,7 @@ const string OUT = "ResultMobi.fasta";
 
 /**
  *   Default Constructor
- * 	 @param ( ProteinModels& ), object PreteinModels
+ * 	 @param  ProteinModels& , object PreteinModels
  * 	 @param  string output, path file output
  * 	 @param  bool verbose , verbose
  */
@@ -40,7 +40,7 @@ MobiSaver::MobiSaver(ProteinModels prot, string output, bool verbose) :
 		Saver(), verbose(verbose) {
 	// TODO Auto-generated constructor stub
 
-	//Se il file non esiste lo creo inserendo la sequenza aminoacidica in testa altrimenti non creo nulla
+	//if file does not exist then create and insert aminoacid sequence in head otherwise don't create file
 	out = output + OUT;
 
 	if (access(out.c_str(), F_OK) != 0) {
@@ -526,7 +526,7 @@ void MobiSaver::mob_stanD_withMask(vector<double> Scale_distance) {
  * @param vector <double>,  vector Scaled Distance
  * @param vector <double>, angle phi
  * @param vector <double>, angle psi
- * @param vector<char> , secondary structures
+ * @param vector <char> , secondary structures
  *
  * @return void
  */
diff --git a/Mobi/Sources/ProteinModels.h b/Mobi/Sources/ProteinModels.h
index 6c3ecb4..24e8fef 100644
--- a/Mobi/Sources/ProteinModels.h
+++ b/Mobi/Sources/ProteinModels.h
@@ -54,6 +54,11 @@ class ProteinModels: public Protein {
 
 	// MODIFIERS:
 
+	/**
+	 You can chose if you want verbose output from this class
+	 @param  none
+	 @return void
+	 */
 	void setVerbose() {
 		verbose = true;
 	}
diff --git a/Mobi/Sources/TmScore.h b/Mobi/Sources/TmScore.h
index 01886fb..e3e0277 100644
--- a/Mobi/Sources/TmScore.h
+++ b/Mobi/Sources/TmScore.h
@@ -51,6 +51,11 @@ class TmScore {
 	Protein* TmImpose(string modelFile, string nativeFile);
 
 	// MODIFIERS:
+	/**
+		 You can chose if you want verbose output from this class
+		 @param  none
+		 @return void
+		 */
 	void setVerbose(bool v) {
 		verbose = v;
 	}

From 3ac3a7f1a1d81e7b25aeb9dc388450f08d709c20 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Tue, 28 Jul 2015 13:53:54 +0200
Subject: [PATCH 28/61] =?UTF-8?q?Possibilit=C3=A0=20di=20modificare=20i=20?=
 =?UTF-8?q?parametri=20di=20default=20inserita,=20miglirata=20verbosit?=
 =?UTF-8?q?=C3=A0?=
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit

---
 Mobi/APPS/mobi.cc                  |  14 +++++++++++-
 Mobi/APPS/mobi.o                   | Bin 34960 -> 36256 bytes
 Mobi/Sources/MobiSaver.cc          |  34 ++++++++++++++---------------
 Mobi/Sources/MobiSaver.h           |   3 ++-
 Mobi/Sources/SecondaryStructure.cc |   2 --
 Mobi/Sources/StandardDeviation.cc  |  28 ++++++++++++++++++++++--
 6 files changed, 58 insertions(+), 23 deletions(-)

diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index 064e25a..d6d590a 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -68,6 +68,12 @@ void sShowHelp() {
 
 	cout << "\t -v  verbose output. \n" << endl;
 	cout << "\t -o [FILE OUTPUT]  Output to file (default stdout)\n" << endl;
+
+	cout << "\t -s arg  Set bound everage scale distance mobility (default is 0.85)\n" << endl;
+	cout << "\t -d arg  Set bound standard deviation mobility (default is 0.09)\n" << endl;
+	cout << "\t -y arg  Set bound angle Phi mobility (default is 20)\n" << endl;
+	cout << "\t -x arg  Set bound angle Psi mobility (default is 20)\n" << endl;
+
 	cout << "\t -h  help" << endl;
 
 	exit(EXIT_SUCCESS);
@@ -77,6 +83,7 @@ void sShowHelp() {
 int main(int argc, char* argv[]) {
 
 	bool v;
+	double ScalD, StandD, anglePHI, anglePSI;
 	string inputFile, outputFile, input;
 
 	//guide with -h option
@@ -100,6 +107,11 @@ int main(int argc, char* argv[]) {
 		ERROR("Error opening input .pdb file.", exception);
 
 	getArg("o", outputFile, argc, argv, "!");
+	getArg("s", ScalD ,argc, argv, 0.85);
+	getArg("d", StandD ,argc, argv, 0.09);
+	getArg("y", anglePHI ,argc, argv, 20);
+	getArg("x", anglePSI ,argc, argv, 20);
+
 	v = getArg("v", argc, argv);
 
 	PdbLoader pl(inFile);    // creates the PdbLoader object
@@ -255,7 +267,7 @@ int main(int argc, char* argv[]) {
 	// 6. MobiSaver object save mobility in output file
 	// --------------------------------------------------
 
-	MobiSaver* saver = new MobiSaver(prot, outputFile, v);
+	MobiSaver* saver = new MobiSaver(prot, outputFile, v, ScalD, StandD , anglePHI, anglePSI);
 	saver->allMobility(ever, SD, ANGLE_PHI, ANGLE_PSI, MOB);
 
 	delete saver;
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index ac7b32dac49162020a68fafdaee9a03736448bfc..d91dd45ea226866bc7ec56a58be5e0864ef29e0d 100644
GIT binary patch
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diff --git a/Mobi/Sources/MobiSaver.cc b/Mobi/Sources/MobiSaver.cc
index 92a2192..31a5096 100644
--- a/Mobi/Sources/MobiSaver.cc
+++ b/Mobi/Sources/MobiSaver.cc
@@ -35,9 +35,13 @@ const string OUT = "ResultMobi.fasta";
  * 	 @param  ProteinModels& , object PreteinModels
  * 	 @param  string output, path file output
  * 	 @param  bool verbose , verbose
+ * 	 @param double boundSD, default = 0.85
+ * 	 @param double boundStandD, default = 0.09
+ * 	 @param double anglePHI, default = 20
+ * 	 @param double anglePSI, default = 20
  */
-MobiSaver::MobiSaver(ProteinModels prot, string output, bool verbose) :
-		Saver(), verbose(verbose) {
+MobiSaver::MobiSaver(ProteinModels prot, string output, bool verbose, double boundSD, double boundStandD, double anglePHI, double anglePSI) :
+		Saver(), verbose(verbose), ScalD (boundSD), StandD (boundStandD), angPHI(anglePHI), angPSI(anglePSI) {
 	// TODO Auto-generated constructor stub
 
 	//if file does not exist then create and insert aminoacid sequence in head otherwise don't create file
@@ -98,7 +102,7 @@ void MobiSaver::mob_eveScalD(vector<double> everageDistance) {
 
 	if (verbose)
 		cout
-				<< "\n ### Salvataggio sul file della mobilità data la distanza media ###"
+				<< "\n ### Save mobility from average distance ###"
 				<< endl;
 
 	fout << endl;
@@ -106,7 +110,7 @@ void MobiSaver::mob_eveScalD(vector<double> everageDistance) {
 
 	for (vector<double>::iterator walk = everageDistance.begin();
 			walk != everageDistance.end(); walk++) {
-		if (*(walk) < 0.85)
+		if (*(walk) < ScalD)
 			fout << "M";
 		else
 			fout << ".";
@@ -143,7 +147,7 @@ void MobiSaver::mob_stanD(vector<double> Scale_distance) {
 
 	for (vector<double>::iterator walk = Scale_distance.begin();
 			walk != Scale_distance.end(); walk++) {
-		if (*(walk) > 0.09)
+		if (*(walk) > StandD)
 			fout << "M";
 		else
 			fout << ".";
@@ -179,7 +183,7 @@ void MobiSaver::mob_aPHI(vector<double> angle_PHI) {
 
 	for (vector<double>::iterator walk = angle_PHI.begin();
 			walk != angle_PHI.end(); walk++) {
-		if (*(walk) > 20)
+		if (*(walk) > angPHI)
 			fout << "M";
 		else
 			fout << ".";
@@ -215,7 +219,7 @@ void MobiSaver::mob_aPSI(vector<double> angle_PSI) {
 
 	for (vector<double>::iterator walk = angle_PSI.begin();
 			walk != angle_PSI.end(); walk++) {
-		if (*(walk) > 20)
+		if (*(walk) > angPSI)
 			fout << "M";
 		else
 			fout << ".";
@@ -293,7 +297,7 @@ void MobiSaver::mob_eveScalD_filtSecS(vector<double> everageDistance,
 	//altrimenti diventa fisso
 	while (everage != everageDistance.end() || secStruct != mobSecS.end()) {
 
-		if (*(everage) < 0.85 && *(secStruct) != '.')
+		if (*(everage) < ScalD && *(secStruct) != '.')
 			fout << "M";
 		else
 			fout << ".";
@@ -347,7 +351,7 @@ void MobiSaver::mob_eveScalD_filteredByPHI_PSI_standD(
 
 	for (vector<double>::iterator walk = everageDistance.begin();
 			walk != everageDistance.end(); walk++) {
-		if (*(walk) < 0.85)
+		if (*(walk) < ScalD)
 			vettoreSupporto.push_back("M");
 		else
 			vettoreSupporto.push_back(".");
@@ -380,13 +384,13 @@ void MobiSaver::mob_eveScalD_filteredByPHI_PSI_standD(
 			test = test + (*(j));
 
 			if (test.compare(filter1) == 0) {
-				if (*(h) > 20 && *(s) > 20 && *(d) > 0.09 && (*(s - 1) > 20))
+				if (*(h) > angPHI && *(s) > angPSI && *(d) > StandD && (*(s - 1) > angPSI))
 					flag = false;
 
 			} else if (test.compare(filter2) == 0) {
 
-				if (*(h - 2) > 20 && *(s - 2) > 20 && *(d - 2) > 0.09
-						&& (*(h - 1) > 20))
+				if (*(h - 2) > angPHI && *(s - 2) > angPSI && *(d - 2) > StandD
+						&& (*(h - 1) > angPHI))
 					flag = false;
 
 			}
@@ -464,7 +468,7 @@ void MobiSaver::mob_stanD_withMask(vector<double> Scale_distance) {
 
 	for (vector<double>::iterator walk = Scale_distance.begin();
 			walk != Scale_distance.end(); walk++) {
-		if (*(walk) > 0.09)
+		if (*(walk) > StandD)
 			vettoreSupporto.push_back("M");
 		else
 			vettoreSupporto.push_back(".");
@@ -489,12 +493,8 @@ void MobiSaver::mob_stanD_withMask(vector<double> Scale_distance) {
 		while (j != vettoreSupporto.end() && i < 6 && flag) {
 
 			test = test + (*(j));
-			if (verbose)
-				cout << test << endl;
 			iter = map.find(test);
 			if (iter != map.end()) {
-				if (verbose)
-					cout << "Trovato" << test << endl;
 				test = iter->second;
 				flag = false;
 			}
diff --git a/Mobi/Sources/MobiSaver.h b/Mobi/Sources/MobiSaver.h
index e10d72b..b5f41ee 100644
--- a/Mobi/Sources/MobiSaver.h
+++ b/Mobi/Sources/MobiSaver.h
@@ -49,7 +49,7 @@ class MobiSaver : public Saver{
 public:
 
 	// CONSTRUCTORS/DESTRUCTOR:
-	MobiSaver(ProteinModels __protein,string __output, bool __verbose = false);
+	MobiSaver(ProteinModels __protein,string __output, bool __verbose = false, double __boundSD = 0.85, double __boundStandD = 0.09, double __anglePHI = 20, double __anglePSI = 20);
 	virtual ~MobiSaver();
 
 	// PREDICATES:
@@ -69,6 +69,7 @@ class MobiSaver : public Saver{
 private:
 	bool verbose;
 	string out;
+	double ScalD, StandD, angPHI, angPSI;
 };
 }
 }
diff --git a/Mobi/Sources/SecondaryStructure.cc b/Mobi/Sources/SecondaryStructure.cc
index ee2dbbe..1cd61ab 100644
--- a/Mobi/Sources/SecondaryStructure.cc
+++ b/Mobi/Sources/SecondaryStructure.cc
@@ -72,8 +72,6 @@ vector<char> SecondaryStructure::getMobilitySecondaryStructure() {
 	//per ogni modello
 	for (unsigned int i = 0; i < models.size(); i++) {
 
-		if (verbose)
-			cout << "Models number: " << i << endl;
 		models[i].setDSSP(false);
 		vettore_di_supporto = models[i].getDSSP();
 		//cout << "support vector size: " << vettore_di_supporto.size() << endl;
diff --git a/Mobi/Sources/StandardDeviation.cc b/Mobi/Sources/StandardDeviation.cc
index e3a44d9..c20e41a 100644
--- a/Mobi/Sources/StandardDeviation.cc
+++ b/Mobi/Sources/StandardDeviation.cc
@@ -80,6 +80,8 @@ void StandardDeviation::getCaAtom(Spacer* s, bool flag) {
  */
 vector<double> StandardDeviation::get_everage_distance() {
 
+	if (verbose)
+			cout << "### Start average distance standard deviation ###" << endl;
 	/** vector average Scale Distance*/
 	dist_everage.clear();
 
@@ -98,7 +100,7 @@ vector<double> StandardDeviation::get_everage_distance() {
 
 	if (verbose) {
 		cout << "Number of models: " << models.size() << endl;
-		cout << "Number of atoms in each models: " << num_atomi << endl;
+		cout << "Number of CA atoms in each models: " << num_atomi << endl;
 	}
 
 	//for any models create atom's vector
@@ -152,6 +154,9 @@ vector<double> StandardDeviation::get_everage_distance() {
  */
 vector<double> StandardDeviation::get_standard_deviation() {
 
+	if (verbose)
+				cout << "### Start calculate standard deviation ###" << endl;
+
 	dist_everage.clear();
 	ScD.clear();
 
@@ -170,7 +175,7 @@ vector<double> StandardDeviation::get_standard_deviation() {
 
 	if (verbose) {
 		cout << "Number of models: " << models.size() << endl;
-		cout << "Number of atoms in each models: " << num_atomi << endl;
+		cout << "Number of CA atoms in each models: " << num_atomi << endl;
 	}
 	//scorro i modelli e per ognuno creo il vettore di atomi
 	unsigned int u = 0;
@@ -246,6 +251,9 @@ vector<double> StandardDeviation::get_standard_deviation() {
  */
 vector<double> StandardDeviation::get_StandarDev_angle_PHI() {
 
+	if (verbose)
+				cout << "### Start calculate standard deviation from angle PHI ###" << endl;
+
 	double num_amino = 0;
 	double sum = 0;
 
@@ -254,6 +262,13 @@ vector<double> StandardDeviation::get_StandarDev_angle_PHI() {
 	else
 		num_amino = original_models[0].sizeAmino();
 
+	if (verbose) {
+			cout << "Number of models: " << original_models.size() << endl;
+			cout << "Number of amino in each models: " << num_amino << endl;
+		}
+
+
+
 	angle_PHI.clear();
 	vector<vector<double> > misure_PHI(num_amino,
 			vector<double>(original_models.size()));
@@ -300,6 +315,9 @@ vector<double> StandardDeviation::get_StandarDev_angle_PHI() {
  */
 vector<double> StandardDeviation::get_StandarDev_angle_PSI() {
 
+	if (verbose)
+					cout << "### Start calculate standard deviation from angle PSI ###" << endl;
+
 	double num_amino = 0;
 	double sum = 0;
 
@@ -308,6 +326,12 @@ vector<double> StandardDeviation::get_StandarDev_angle_PSI() {
 	else
 		num_amino = original_models[0].sizeAmino();
 
+	if (verbose) {
+				cout << "Number of models: " << original_models.size() << endl;
+				cout << "Number of amino in each models: " << num_amino << endl;
+			}
+
+
 	angle_PSI.clear();
 	vector<vector<double> > misure_PSI(num_amino,
 			vector<double>(original_models.size()));

From 0dd63d258824bc15a5a333584fd7d7a613331193 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Tue, 28 Jul 2015 15:24:20 +0200
Subject: [PATCH 29/61] modificata interfaccia

---
 Mobi/APPS/mobi.cc |  42 +++++++++++++++++++++++-------------------
 Mobi/APPS/mobi.o  | Bin 36256 -> 35264 bytes
 2 files changed, 23 insertions(+), 19 deletions(-)

diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index d6d590a..0ffbf7a 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -68,6 +68,7 @@ void sShowHelp() {
 
 	cout << "\t -v  verbose output. \n" << endl;
 	cout << "\t -o [FILE OUTPUT]  Output to file (default stdout)\n" << endl;
+	cout << "\t -m  load any models \n" << endl;
 
 	cout << "\t -s arg  Set bound everage scale distance mobility (default is 0.85)\n" << endl;
 	cout << "\t -d arg  Set bound standard deviation mobility (default is 0.09)\n" << endl;
@@ -82,7 +83,7 @@ void sShowHelp() {
 
 int main(int argc, char* argv[]) {
 
-	bool v;
+	bool v, models;
 	double ScalD, StandD, anglePHI, anglePSI;
 	string inputFile, outputFile, input;
 
@@ -96,6 +97,16 @@ int main(int argc, char* argv[]) {
 		return 1;
 	}
 
+	getArg("o", outputFile, argc, argv, "!");
+	getArg("s", ScalD ,argc, argv, 0.85);
+	getArg("d", StandD ,argc, argv, 0.09);
+	getArg("y", anglePHI ,argc, argv, 20);
+	getArg("x", anglePSI ,argc, argv, 20);
+
+	models = getArg("m",argc, argv);
+	v = getArg("v", argc, argv);
+
+
 	cout << "Welcome to Mobi!" << endl;
 
 	//loan pdb file from input
@@ -106,14 +117,6 @@ int main(int argc, char* argv[]) {
 	if (!inFile)
 		ERROR("Error opening input .pdb file.", exception);
 
-	getArg("o", outputFile, argc, argv, "!");
-	getArg("s", ScalD ,argc, argv, 0.85);
-	getArg("d", StandD ,argc, argv, 0.09);
-	getArg("y", anglePHI ,argc, argv, 20);
-	getArg("x", anglePSI ,argc, argv, 20);
-
-	v = getArg("v", argc, argv);
-
 	PdbLoader pl(inFile);    // creates the PdbLoader object
 
 	ProteinModels prot;
@@ -128,21 +131,22 @@ int main(int argc, char* argv[]) {
 	// 1. ask how much models load in protein
 	// --------------------------------------------------
 
-	do {
-		cout << "This file include: ";
-		cout << pl.getMaxModels() << endl;
-
-		cout << "Do you want load all models? [y/n]" << endl;
-		getline(cin, input);
-		//		cin >> input;
+//	do {
+//		cout << "This file include: ";
+//		cout << pl.getMaxModels() << endl;
+//
+//		cout << "Do you want load all models? [y/n]" << endl;
+//		getline(cin, input);
+//		//		cin >> input;
+//
+//	} while ((strcmp(input.c_str(), "y")) != 0
+//			&& (strcmp(input.c_str(), "n")) != 0);
 
-	} while ((strcmp(input.c_str(), "y")) != 0
-			&& (strcmp(input.c_str(), "n")) != 0); //(!cin.fail() && input != 'y' && input != 'n');
 
 	if (!v)
 		cout << "\nLOAD..." << endl;
 
-	if ((strcmp(input.c_str(), "y")) == 0) {
+	if (!models) {
 		prot.load(pl);
 	} else {
 		prot.loadSameModels(pl);
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index d91dd45ea226866bc7ec56a58be5e0864ef29e0d..7d6267ff8e14f04438a095ec8a795f0c8a092238 100644
GIT binary patch
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From 3e3a7dd5c3f3b1f942cfe8697c7896c49e13bfc3 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Tue, 28 Jul 2015 15:53:29 +0200
Subject: [PATCH 30/61] deleted trash file

---
 Mobi/APPS/mobi.cc |   3 +++
 Mobi/APPS/mobi.o  | Bin 35264 -> 35936 bytes
 2 files changed, 3 insertions(+)

diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index 0ffbf7a..de61d47 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -277,6 +277,9 @@ int main(int argc, char* argv[]) {
 	delete saver;
 
 	prot.remove(outputFile);
+	//remove trash file
+	outputFile = outputFile + "TMScore.pdb_atm";
+	remove(outputFile.c_str());
 
 	return 0;
 }
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index 7d6267ff8e14f04438a095ec8a795f0c8a092238..b931b125677d305863644c8ee75bee819ee34e74 100644
GIT binary patch
delta 8132
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Jxqflj{{R42z9Rqt


From e390ab4be2b418017fc764b250cae9d36ca88c93 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Tue, 28 Jul 2015 23:00:57 +0200
Subject: [PATCH 31/61] =?UTF-8?q?Aggiunta=20funzionalit=C3=A0=20per=20stam?=
 =?UTF-8?q?pare=20su=20.pdb=20file=20B-factor=20e=20standard=20deviation?=
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit

---
 Biopool/Sources/PdbSaver.h        |   2 -
 Mobi/APPS/mobi.cc                 |  12 +++-
 Mobi/APPS/mobi.o                  | Bin 35936 -> 37912 bytes
 Mobi/Sources/MobiSaver.cc         | 108 ++++++++++++++++++++++++++++--
 Mobi/Sources/MobiSaver.h          |   9 +--
 Mobi/Sources/ProteinModels.cc     |   3 +-
 Mobi/Sources/ProteinModels.h      |   8 ++-
 Mobi/Sources/ProteinModels.o      | Bin 71752 -> 71752 bytes
 Mobi/Sources/StandardDeviation.cc |   2 +-
 9 files changed, 127 insertions(+), 17 deletions(-)

diff --git a/Biopool/Sources/PdbSaver.h b/Biopool/Sources/PdbSaver.h
index c52b8f0..dc059a6 100644
--- a/Biopool/Sources/PdbSaver.h
+++ b/Biopool/Sources/PdbSaver.h
@@ -108,8 +108,6 @@ namespace Victor { namespace Biopool {
 
     protected:
 
-    private:
-
         // HELPERS:
         void writeSeqRes(Spacer& sp); // writes SEQRES entry
         void writeSecondary(Spacer& sp);
diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index de61d47..1b76958 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -47,6 +47,8 @@ using namespace Victor;
 using namespace Victor::Biopool;
 using namespace Victor::Mobi;
 
+const string OUTPDB = "ResultMobi.pdb";
+
 void sShowHelp() {
 
 	cout << "NAME" << endl;
@@ -271,15 +273,21 @@ int main(int argc, char* argv[]) {
 	// 6. MobiSaver object save mobility in output file
 	// --------------------------------------------------
 
-	MobiSaver* saver = new MobiSaver(prot, outputFile, v, ScalD, StandD , anglePHI, anglePSI);
+	string out_pdb = outputFile + OUTPDB;
+	ofstream ofstream(out_pdb.c_str(), ofstream::app);
+
+	MobiSaver* saver = new MobiSaver(prot, outputFile, ofstream,  v, ScalD, StandD , anglePHI, anglePSI);
 	saver->allMobility(ever, SD, ANGLE_PHI, ANGLE_PSI, MOB);
 
-	delete saver;
 
 	prot.remove(outputFile);
 	//remove trash file
 	outputFile = outputFile + "TMScore.pdb_atm";
 	remove(outputFile.c_str());
 
+	saver-> saveProtein(prot, ever, SD);
+
+	delete saver;
+
 	return 0;
 }
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index b931b125677d305863644c8ee75bee819ee34e74..ce5d0721ae156b135a972a5b611f0aa5f845e2d7 100644
GIT binary patch
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diff --git a/Mobi/Sources/MobiSaver.cc b/Mobi/Sources/MobiSaver.cc
index 31a5096..3d0ad9c 100644
--- a/Mobi/Sources/MobiSaver.cc
+++ b/Mobi/Sources/MobiSaver.cc
@@ -40,8 +40,11 @@ const string OUT = "ResultMobi.fasta";
  * 	 @param double anglePHI, default = 20
  * 	 @param double anglePSI, default = 20
  */
-MobiSaver::MobiSaver(ProteinModels prot, string output, bool verbose, double boundSD, double boundStandD, double anglePHI, double anglePSI) :
-		Saver(), verbose(verbose), ScalD (boundSD), StandD (boundStandD), angPHI(anglePHI), angPSI(anglePSI) {
+MobiSaver::MobiSaver(ProteinModels prot, string output, ofstream& stream,
+		bool verbose, double boundSD, double boundStandD, double anglePHI,
+		double anglePSI) :
+		PdbSaver(stream), verbose(verbose), ScalD(boundSD), StandD(boundStandD), angPHI(
+				anglePHI), angPSI(anglePSI) {
 	// TODO Auto-generated constructor stub
 
 	//if file does not exist then create and insert aminoacid sequence in head otherwise don't create file
@@ -101,9 +104,7 @@ void MobiSaver::mob_eveScalD(vector<double> everageDistance) {
 		ERROR("Could not open file for writing.", error);
 
 	if (verbose)
-		cout
-				<< "\n ### Save mobility from average distance ###"
-				<< endl;
+		cout << "\n ### Save mobility from average distance ###" << endl;
 
 	fout << endl;
 	fout << "> Average scale distance 0" << endl;
@@ -384,7 +385,8 @@ void MobiSaver::mob_eveScalD_filteredByPHI_PSI_standD(
 			test = test + (*(j));
 
 			if (test.compare(filter1) == 0) {
-				if (*(h) > angPHI && *(s) > angPSI && *(d) > StandD && (*(s - 1) > angPSI))
+				if (*(h) > angPHI && *(s) > angPSI && *(d) > StandD
+						&& (*(s - 1) > angPSI))
 					flag = false;
 
 			} else if (test.compare(filter2) == 0) {
@@ -545,3 +547,97 @@ void MobiSaver::allMobility(vector<double> everageDistance,
 	mob_SecS(Mob_SecStructure);
 
 }
+
+/**
+ * Method that shadow save Protein of PdbSaver, this method save in .pdb format
+ * all  original models in ProteinModels with column standard deviation modified
+ * and column B factor modified with average scaled distance.
+ * @param ProteinModels , object ProteinModels
+ * @param vector <double>,  vector average scaled distance
+ * @param vector <double>,  vector standard deviation
+ *  @return void
+ */
+
+void MobiSaver::saveProtein(ProteinModels prot,
+		vector<double> everageDistance, vector<double> Scale_distance) {
+
+	if (everageDistance.size() == 0 || Scale_distance.size() == 0)
+		ERROR("One vector is empty!", exception);
+
+	vector<double>::iterator walk;
+	vector<double>::iterator walk2;
+
+	if (verbose)
+		cout << "\n ### Save Pdb file with column b factor modify ###" << endl;
+
+	output << "REMARK   1  template_A_NMRMOV.pdb" << "\n"
+			<< "REMARK   2 B-factors changed to averaged Scaled Distance x 100 \n"
+			<< "REMARK   3 after TMScore super imposition with d0 = 4.0; Occupancy changed to SD \n";
+
+	int g;
+	for (unsigned int i = 0; i < prot.original_models.size(); i++) {
+		if (prot.original_models[i].size() > 0) {
+
+			aminoOffset = 1;
+			g = i + 1;
+			output << "MODEL        " << g << endl;
+			//method of class Component. It checks how deep is the spacer
+
+			walk = everageDistance.begin();
+			walk2 = Scale_distance.begin();
+			//saving is one ammino at a time
+			for (unsigned int j = 0; j < prot.original_models[i].sizeAmino();
+					j++) {
+				AminoAcid gr = prot.original_models[i].getAmino(j);
+				gr.sync();
+
+				for (unsigned int y = 0; y < gr.size(); y++) {
+					string atName = gr[y].getType();
+
+					if (atName == "OXT") // cosmetics: OXT has to be output after
+						continue; // the sidechain and therefore goes in saveSpacer
+
+					// Added variable for correcting atom type H (last column in PDBs)
+					char atomOneLetter;
+					if (!isdigit(atName[0])) {
+						atomOneLetter = atName[0];
+					} else {
+						atomOneLetter = atName[1];
+					}
+
+					// Added control for size by Damiano Piovesan
+					// example HG12
+					if (!isdigit(atName[0]) && (atName.size() < 4))
+						atName = ' ' + atName;
+					while (atName.size() < 4)
+						atName += ' ';
+
+					output << "ATOM" << setw(7) << gr[y].getNumber() << " "
+							<< atName << " " << gr.getType() << " " << chain
+							<< setw(4) << aminoOffset << "    " << setw(8)
+							<< setprecision(3) << gr[y].getCoords().x << setw(8)
+							<< setprecision(3) << gr[y].getCoords().y << setw(8)
+							<< setprecision(3) << gr[y].getCoords().z << "   "
+							<< fixed << setprecision(2)<< *(walk2)
+							<< setw(6) << fixed << setprecision(2)
+							<< (*(walk) * 100) << "           " << atomOneLetter << "\n";
+
+					atomOffset = gr[y].getNumber() + 1;
+
+				}
+				walk++;
+				walk2++;
+				aminoOffset++;
+			}
+
+			output << "ENDMODL\n";
+		}
+
+	}
+
+	endFile();
+
+	if (verbose)
+		cout << "Pdb file saved!" << endl;
+
+}
diff --git a/Mobi/Sources/MobiSaver.h b/Mobi/Sources/MobiSaver.h
index b5f41ee..5a872e3 100644
--- a/Mobi/Sources/MobiSaver.h
+++ b/Mobi/Sources/MobiSaver.h
@@ -26,7 +26,7 @@
 #define MOBI_SOURCES_MOBISAVER_H_
 
 //Includes:
-#include <Saver.h>
+#include <PdbSaver.h>
 #include <ProteinModels.h>
 #include <vector>
 #include <iterator>
@@ -40,16 +40,16 @@ namespace Victor {
 namespace Mobi {
 
 /**@brief Implements a MobiSaver.
- * This class inherit Saver class. This class allow to Saver in output file all type of vector generated from
+ * This class inherit PdbSaver class. This class allow to Saver in output file all type of vector generated from
  * Standard Deviation and SecondaryStructure classes to have the mobility.
  * You can save Mobility also filtered by same type of mask.
  */
 
-class MobiSaver : public Saver{
+class MobiSaver : public PdbSaver{
 public:
 
 	// CONSTRUCTORS/DESTRUCTOR:
-	MobiSaver(ProteinModels __protein,string __output, bool __verbose = false, double __boundSD = 0.85, double __boundStandD = 0.09, double __anglePHI = 20, double __anglePSI = 20);
+	MobiSaver(ProteinModels __protein,string __output, ofstream& __stream, bool __verbose = false, double __boundSD = 0.85, double __boundStandD = 0.09, double __anglePHI = 20, double __anglePSI = 20);
 	virtual ~MobiSaver();
 
 	// PREDICATES:
@@ -65,6 +65,7 @@ class MobiSaver : public Saver{
 	void allMobility(vector<double> __everageDistance,
 			vector<double> __Scale_distance, vector<double> __angle_PHI,
 			vector<double> __angle_PSI, vector<char> __Mob_SecStructure);
+	virtual void saveProtein(ProteinModels __protein, vector<double> __everageDistance, vector<double> __StandardDeviation);
 
 private:
 	bool verbose;
diff --git a/Mobi/Sources/ProteinModels.cc b/Mobi/Sources/ProteinModels.cc
index 1ebc9fb..ba1b622 100644
--- a/Mobi/Sources/ProteinModels.cc
+++ b/Mobi/Sources/ProteinModels.cc
@@ -92,7 +92,8 @@ void ProteinModels::load(PdbLoader& pl) {
 }
 
 /**
- Chose how much models do you want load
+ Internal method
+ Chose how much models do you want loa
  @param  (PdbLoader&) , object PdbLoader
  @return unsigned int
  */
diff --git a/Mobi/Sources/ProteinModels.h b/Mobi/Sources/ProteinModels.h
index 24e8fef..05664d0 100644
--- a/Mobi/Sources/ProteinModels.h
+++ b/Mobi/Sources/ProteinModels.h
@@ -48,10 +48,14 @@ class ProteinModels: public Protein {
 
 	virtual void load(PdbLoader& pl);
 
-	unsigned int selectModels(PdbLoader& pl);
 
 	void loadSameModels(PdbLoader& pl);
 
+
+private:
+	unsigned int selectModels(PdbLoader& pl);
+
+public:
 	// MODIFIERS:
 
 	/**
@@ -71,8 +75,10 @@ class ProteinModels: public Protein {
 
 	void printModels(string outputFile);
 
+
 	// MODIFIERS:
 private:
+
 	bool verbose;
 
 public:
diff --git a/Mobi/Sources/ProteinModels.o b/Mobi/Sources/ProteinModels.o
index 7d831416773c7e34753c197cd85684cee5ff6be9..323c73dc384cd2af358bca3174a2868b3072b818 100644
GIT binary patch
delta 38
scmX@Hf#t*omJJWM8MkbH$bF29@$Te@+{&9zi>+W|`~zlAm)-aa0AcqMD*ylh

delta 38
scmX@Hf#t*omJJWM88>f!$bF29@y_Ij+{&9zi>+W|{0(MKm)-aa0AaimC;$Ke

diff --git a/Mobi/Sources/StandardDeviation.cc b/Mobi/Sources/StandardDeviation.cc
index c20e41a..3253b18 100644
--- a/Mobi/Sources/StandardDeviation.cc
+++ b/Mobi/Sources/StandardDeviation.cc
@@ -81,7 +81,7 @@ void StandardDeviation::getCaAtom(Spacer* s, bool flag) {
 vector<double> StandardDeviation::get_everage_distance() {
 
 	if (verbose)
-			cout << "### Start average distance standard deviation ###" << endl;
+			cout << "### Start average distance scale distance ###" << endl;
 	/** vector average Scale Distance*/
 	dist_everage.clear();
 

From b02de281bc4491b2d01a84d03f1b162256792fec Mon Sep 17 00:00:00 2001
From: ozymandias89 <ozymandias89@users.noreply.github.com>
Date: Wed, 29 Jul 2015 13:31:38 +0200
Subject: [PATCH 32/61] Create readme

---
 Mobi/readme | 23 +++++++++++++++++++++++
 1 file changed, 23 insertions(+)
 create mode 100644 Mobi/readme

diff --git a/Mobi/readme b/Mobi/readme
new file mode 100644
index 0000000..1329cf1
--- /dev/null
+++ b/Mobi/readme
@@ -0,0 +1,23 @@
+						                                  
+						                                  MOBI
+
+
+Mobi è un software che permette di caricare un file pdb creato con tecnologia NMR e di calcolare la mobilità delle catene amino acidiche all'interno della proteina.
+Il file pdb può essere caricato in toto o in parte caricando solo alcuni modelli. Le parti mobili della proteina sono calcolate con diverse metriche fra cui l'everage scale distance, la standard deviation scale distance, gli angoli phi, psi, e varie maschere logiche.
+
+Mobi è una directory di Victor, al suo interno si trova la directory APP la quale contiene il file mobi.cc che contiene il main.
+Una volta compilato il progetto l'eseguibile si troverà in /Victor/bin/ con il nome di mobi.
+Per eseguire mobi lanciamolo con l'option senza opzioni o con l'option -h. Apparirà il menù di aiuto che spiega come utilizzarlo. I file in output si troveranno nella cartella /Victor/Mobi/data. Si ricorda che i file in output debbono essere cancellati se si vuole rieseguire il programma, se così non fosse l'output poterebbe essere aggiunto in append al file.
+
+Requisiti: NMR pdb file.
+Esecuzione: ./mobi pathpdbfile (in aggiunta le opzioni)
+Opzioni:	-o	nomefile di otput per personalizzare il nome file in output di default è 				“stdout”
+		-v	per settare la verbosità di tutti gli oggetti presenti
+		-m	per caricare un numero limitato di modelli e non tutti quelli presenti nel 				file
+		-s	modifica il valore di mobilità dell'everage scaled distance
+		-d	modifica il valore di mobilità a standard deviation della scaled distance
+		-y	modifica il valore di mobilità per l'angolo PHI
+		-x	modifica il valore di mobilità per l'angolo PSI
+		-h	help
+
+Output: L'output saranno 2 file, il primo sarà un file fasta con le diverse misurazioni di mobilità mente il secondo sarà un file pdb con i modelli salvati e le ultime colonne modificaate con la standard deviation e l'average scaled distance * 100. (Necessario controllare la correttezza del calcolo della mobilità DSSP).

From 86cda7937edbd8355d4826c63c2beeafe2ef80c0 Mon Sep 17 00:00:00 2001
From: ozymandias89 <ozymandias89@users.noreply.github.com>
Date: Wed, 29 Jul 2015 13:32:21 +0200
Subject: [PATCH 33/61] Update readme

---
 Mobi/readme | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/Mobi/readme b/Mobi/readme
index 1329cf1..27b8e46 100644
--- a/Mobi/readme
+++ b/Mobi/readme
@@ -1,5 +1,5 @@
 						                                  
-						                                  MOBI
+						  MOBI
 
 
 Mobi è un software che permette di caricare un file pdb creato con tecnologia NMR e di calcolare la mobilità delle catene amino acidiche all'interno della proteina.

From 543a244cd266d133a4afb1827ddc4b0d1802a200 Mon Sep 17 00:00:00 2001
From: ozymandias89 <ozymandias89@users.noreply.github.com>
Date: Wed, 29 Jul 2015 13:33:43 +0200
Subject: [PATCH 34/61] Update readme

---
 Mobi/readme | 10 +++++++---
 1 file changed, 7 insertions(+), 3 deletions(-)

diff --git a/Mobi/readme b/Mobi/readme
index 27b8e46..3e95cfa 100644
--- a/Mobi/readme
+++ b/Mobi/readme
@@ -3,11 +3,14 @@
 
 
 Mobi è un software che permette di caricare un file pdb creato con tecnologia NMR e di calcolare la mobilità delle catene amino acidiche all'interno della proteina.
-Il file pdb può essere caricato in toto o in parte caricando solo alcuni modelli. Le parti mobili della proteina sono calcolate con diverse metriche fra cui l'everage scale distance, la standard deviation scale distance, gli angoli phi, psi, e varie maschere logiche.
+Il file pdb può essere caricato in toto o in parte caricando solo alcuni modelli. 
+Le parti mobili della proteina sono calcolate con diverse metriche fra cui l'everage scale distance, la standard deviation scale distance, gli angoli phi, psi, e varie maschere logiche.
 
 Mobi è una directory di Victor, al suo interno si trova la directory APP la quale contiene il file mobi.cc che contiene il main.
 Una volta compilato il progetto l'eseguibile si troverà in /Victor/bin/ con il nome di mobi.
-Per eseguire mobi lanciamolo con l'option senza opzioni o con l'option -h. Apparirà il menù di aiuto che spiega come utilizzarlo. I file in output si troveranno nella cartella /Victor/Mobi/data. Si ricorda che i file in output debbono essere cancellati se si vuole rieseguire il programma, se così non fosse l'output poterebbe essere aggiunto in append al file.
+Per eseguire mobi lanciamolo con l'option senza opzioni o con l'option -h. 
+Apparirà il menù di aiuto che spiega come utilizzarlo. I file in output si troveranno nella cartella /Victor/Mobi/data. 
+Si ricorda che i file in output debbono essere cancellati se si vuole rieseguire il programma, se così non fosse l'output poterebbe essere aggiunto in append al file.
 
 Requisiti: NMR pdb file.
 Esecuzione: ./mobi pathpdbfile (in aggiunta le opzioni)
@@ -20,4 +23,5 @@ Opzioni:	-o	nomefile di otput per personalizzare il nome file in output di defau
 		-x	modifica il valore di mobilità per l'angolo PSI
 		-h	help
 
-Output: L'output saranno 2 file, il primo sarà un file fasta con le diverse misurazioni di mobilità mente il secondo sarà un file pdb con i modelli salvati e le ultime colonne modificaate con la standard deviation e l'average scaled distance * 100. (Necessario controllare la correttezza del calcolo della mobilità DSSP).
+Output: L'output saranno 2 file, il primo sarà un file fasta con le diverse misurazioni di mobilità,
+il secondo sarà un file pdb con i modelli salvati e le ultime colonne modificaate con la standard deviation e l'average scaled distance * 100. (Necessario controllare la correttezza del calcolo della mobilità DSSP).

From 150e89a4a885122cab51108cf1aa536363f5093a Mon Sep 17 00:00:00 2001
From: ozymandias89 <ozymandias89@users.noreply.github.com>
Date: Wed, 29 Jul 2015 13:35:57 +0200
Subject: [PATCH 35/61] Update readme

---
 Mobi/readme | 22 ++++++++++++++--------
 1 file changed, 14 insertions(+), 8 deletions(-)

diff --git a/Mobi/readme b/Mobi/readme
index 3e95cfa..3ddd370 100644
--- a/Mobi/readme
+++ b/Mobi/readme
@@ -2,21 +2,26 @@
 						  MOBI
 
 
-Mobi è un software che permette di caricare un file pdb creato con tecnologia NMR e di calcolare la mobilità delle catene amino acidiche all'interno della proteina.
+Mobi è un software che permette di caricare un file pdb creato con tecnologia NMR 
+e di calcolare la mobilità delle catene amino acidiche all'interno della proteina.
 Il file pdb può essere caricato in toto o in parte caricando solo alcuni modelli. 
-Le parti mobili della proteina sono calcolate con diverse metriche fra cui l'everage scale distance, la standard deviation scale distance, gli angoli phi, psi, e varie maschere logiche.
+Le parti mobili della proteina sono calcolate con diverse metriche fra cui l'everage scale distance, 
+la standard deviation scale distance, gli angoli phi, psi, e varie maschere logiche.
 
-Mobi è una directory di Victor, al suo interno si trova la directory APP la quale contiene il file mobi.cc che contiene il main.
+Mobi è una directory di Victor, al suo interno si trova la directory APP la quale contiene il file mobi.cc 
+che contiene il main.
 Una volta compilato il progetto l'eseguibile si troverà in /Victor/bin/ con il nome di mobi.
 Per eseguire mobi lanciamolo con l'option senza opzioni o con l'option -h. 
-Apparirà il menù di aiuto che spiega come utilizzarlo. I file in output si troveranno nella cartella /Victor/Mobi/data. 
-Si ricorda che i file in output debbono essere cancellati se si vuole rieseguire il programma, se così non fosse l'output poterebbe essere aggiunto in append al file.
+Apparirà il menù di aiuto che spiega come utilizzarlo. 
+I file in output si troveranno nella cartella /Victor/Mobi/data. 
+Si ricorda che i file in output debbono essere cancellati se si vuole rieseguire il programma, 
+se così non fosse l'output poterebbe essere aggiunto in append al file.
 
 Requisiti: NMR pdb file.
 Esecuzione: ./mobi pathpdbfile (in aggiunta le opzioni)
-Opzioni:	-o	nomefile di otput per personalizzare il nome file in output di default è 				“stdout”
+Opzioni:	-o	nomefile di otput per personalizzare il nome file in output di default è “stdout”
 		-v	per settare la verbosità di tutti gli oggetti presenti
-		-m	per caricare un numero limitato di modelli e non tutti quelli presenti nel 				file
+		-m	per caricare un numero limitato di modelli e non tutti quelli presenti nel file
 		-s	modifica il valore di mobilità dell'everage scaled distance
 		-d	modifica il valore di mobilità a standard deviation della scaled distance
 		-y	modifica il valore di mobilità per l'angolo PHI
@@ -24,4 +29,5 @@ Opzioni:	-o	nomefile di otput per personalizzare il nome file in output di defau
 		-h	help
 
 Output: L'output saranno 2 file, il primo sarà un file fasta con le diverse misurazioni di mobilità,
-il secondo sarà un file pdb con i modelli salvati e le ultime colonne modificaate con la standard deviation e l'average scaled distance * 100. (Necessario controllare la correttezza del calcolo della mobilità DSSP).
+il secondo sarà un file pdb con i modelli salvati e le ultime colonne modificaate con la standard deviation e 
+l'average scaled distance * 100. (Necessario controllare la correttezza del calcolo della mobilità DSSP).

From 75c48d789d66594340466d8766dfc8ad50c03a49 Mon Sep 17 00:00:00 2001
From: ozymandias89 <ozymandias89@users.noreply.github.com>
Date: Mon, 10 Aug 2015 11:56:24 +0200
Subject: [PATCH 36/61] Update readme

---
 Mobi/readme | 50 +++++++++++++++++++++++++-------------------------
 1 file changed, 25 insertions(+), 25 deletions(-)

diff --git a/Mobi/readme b/Mobi/readme
index 3ddd370..bc32aa5 100644
--- a/Mobi/readme
+++ b/Mobi/readme
@@ -2,32 +2,32 @@
 						  MOBI
 
 
-Mobi è un software che permette di caricare un file pdb creato con tecnologia NMR 
-e di calcolare la mobilità delle catene amino acidiche all'interno della proteina.
-Il file pdb può essere caricato in toto o in parte caricando solo alcuni modelli. 
-Le parti mobili della proteina sono calcolate con diverse metriche fra cui l'everage scale distance, 
-la standard deviation scale distance, gli angoli phi, psi, e varie maschere logiche.
+Software Mobi load file pdb. The pdb file must be created with NMR technology. Mobi can calculate
+amino acid's residue mobility inside protein.
+The software can load the pdb file in its entirety (all models of protein), or in any models. 
+Different metrics evaluate mobility part of the protein for exemple the everage scale distance,
+standard deviation, scale distance, the evaluation of angle phi, psi, and various logic mask.
 
-Mobi è una directory di Victor, al suo interno si trova la directory APP la quale contiene il file mobi.cc 
-che contiene il main.
-Una volta compilato il progetto l'eseguibile si troverà in /Victor/bin/ con il nome di mobi.
-Per eseguire mobi lanciamolo con l'option senza opzioni o con l'option -h. 
-Apparirà il menù di aiuto che spiega come utilizzarlo. 
-I file in output si troveranno nella cartella /Victor/Mobi/data. 
-Si ricorda che i file in output debbono essere cancellati se si vuole rieseguire il programma, 
-se così non fosse l'output poterebbe essere aggiunto in append al file.
+Mobi is a Victor directory, inside are located directory APP which include mobi.cc file that 
+include main.
+After compiling the project the exeguible file are located in /Victor/bin/ with mobi's name.
+For execute Mobi launch with no option or with option -h. 
+A help menù will appear that show how to use the program. 
+The output file will locate in directory /Victor/Mobi/data. 
+Remind that the output file must be deleted if you want re execute the program, 
+if this were not the case, the output file could be added in append to the file.
 
-Requisiti: NMR pdb file.
-Esecuzione: ./mobi pathpdbfile (in aggiunta le opzioni)
-Opzioni:	-o	nomefile di otput per personalizzare il nome file in output di default è “stdout”
-		-v	per settare la verbosità di tutti gli oggetti presenti
-		-m	per caricare un numero limitato di modelli e non tutti quelli presenti nel file
-		-s	modifica il valore di mobilità dell'everage scaled distance
-		-d	modifica il valore di mobilità a standard deviation della scaled distance
-		-y	modifica il valore di mobilità per l'angolo PHI
-		-x	modifica il valore di mobilità per l'angolo PSI
+Requirement: NMR pdb file.
+Execution: ./mobi pathpdbfile (opzion addition)
+Option:	-o	nomefile for output to personalize the name of the output file, default is “stdout”
+		-v	set verbose of all object
+		-m	to load a restricted numbers of models and not all present models in the file
+		-s	modify value of mobility of everage scaled distance
+		-d	modify value of mobility of standard deviation of scaled distance
+		-y	modify value of mobility of angle PHI
+		-x	modify value of mobility of angle PSI
 		-h	help
 
-Output: L'output saranno 2 file, il primo sarà un file fasta con le diverse misurazioni di mobilità,
-il secondo sarà un file pdb con i modelli salvati e le ultime colonne modificaate con la standard deviation e 
-l'average scaled distance * 100. (Necessario controllare la correttezza del calcolo della mobilità DSSP).
+Output: The output will be 2 file, the first will be a fasta file with different metrics to estimate the mobility,
+the second will be a pdb file with save model and the last columns changed whith standard deviation misure and 
+the average scaled distance * 100.

From f2e954be957b4f18b3a095e02c8a8a465938625b Mon Sep 17 00:00:00 2001
From: ozymandias89 <ozymandias89@users.noreply.github.com>
Date: Mon, 10 Aug 2015 17:35:54 +0200
Subject: [PATCH 37/61] Update readme

---
 Mobi/readme | 12 +++++-------
 1 file changed, 5 insertions(+), 7 deletions(-)

diff --git a/Mobi/readme b/Mobi/readme
index bc32aa5..40fc7e2 100644
--- a/Mobi/readme
+++ b/Mobi/readme
@@ -8,26 +8,24 @@ The software can load the pdb file in its entirety (all models of protein), or i
 Different metrics evaluate mobility part of the protein for exemple the everage scale distance,
 standard deviation, scale distance, the evaluation of angle phi, psi, and various logic mask.
 
-Mobi is a Victor directory, inside are located directory APP which include mobi.cc file that 
+Mobi is a Victor folder, inside are located subfolder APP which include mobi.cc file that 
 include main.
-After compiling the project the exeguible file are located in /Victor/bin/ with mobi's name.
+After compiling project the exeguible file are located in /Victor/bin/ with mobi's name.
 For execute Mobi launch with no option or with option -h. 
 A help menù will appear that show how to use the program. 
 The output file will locate in directory /Victor/Mobi/data. 
-Remind that the output file must be deleted if you want re execute the program, 
+Remind that the output file must be deleted if you want rerun the program, 
 if this were not the case, the output file could be added in append to the file.
 
+==Usage==
 Requirement: NMR pdb file.
 Execution: ./mobi pathpdbfile (opzion addition)
 Option:	-o	nomefile for output to personalize the name of the output file, default is “stdout”
 		-v	set verbose of all object
 		-m	to load a restricted numbers of models and not all present models in the file
-		-s	modify value of mobility of everage scaled distance
+		-s	modify value of mobility of average scaled distance
 		-d	modify value of mobility of standard deviation of scaled distance
 		-y	modify value of mobility of angle PHI
 		-x	modify value of mobility of angle PSI
 		-h	help
 
-Output: The output will be 2 file, the first will be a fasta file with different metrics to estimate the mobility,
-the second will be a pdb file with save model and the last columns changed whith standard deviation misure and 
-the average scaled distance * 100.

From 52141a2cb1c4f00437b5c17d1323a94c7948a5bb Mon Sep 17 00:00:00 2001
From: ozymandias89 <ozymandias89@users.noreply.github.com>
Date: Mon, 10 Aug 2015 17:57:06 +0200
Subject: [PATCH 38/61] Update readme

---
 Mobi/readme | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/Mobi/readme b/Mobi/readme
index 40fc7e2..759af3d 100644
--- a/Mobi/readme
+++ b/Mobi/readme
@@ -20,7 +20,7 @@ if this were not the case, the output file could be added in append to the file.
 ==Usage==
 Requirement: NMR pdb file.
 Execution: ./mobi pathpdbfile (opzion addition)
-Option:	-o	nomefile for output to personalize the name of the output file, default is “stdout”
+Option:	-o	namefile for output to personalize the name of the output file, default is “stdout”
 		-v	set verbose of all object
 		-m	to load a restricted numbers of models and not all present models in the file
 		-s	modify value of mobility of average scaled distance

From d4f01631fc7b8239b9028bd98aad1f24ce5037d3 Mon Sep 17 00:00:00 2001
From: ozymandias89 <ozymandias89@users.noreply.github.com>
Date: Mon, 10 Aug 2015 22:03:01 +0200
Subject: [PATCH 39/61] Update readme

---
 Mobi/readme | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/Mobi/readme b/Mobi/readme
index 759af3d..0ddd071 100644
--- a/Mobi/readme
+++ b/Mobi/readme
@@ -20,8 +20,9 @@ if this were not the case, the output file could be added in append to the file.
 ==Usage==
 Requirement: NMR pdb file.
 Execution: ./mobi pathpdbfile (opzion addition)
-Option:	-o	namefile for output to personalize the name of the output file, default is “stdout”
+Option:		-o	namefile for output to personalize the name of the output file, default is “stdout”
 		-v	set verbose of all object
+		-c 	set chain of protein to read (default is first chain)
 		-m	to load a restricted numbers of models and not all present models in the file
 		-s	modify value of mobility of average scaled distance
 		-d	modify value of mobility of standard deviation of scaled distance

From b7327f8216faa0fa44c587b58df64f9d5ac72d0f Mon Sep 17 00:00:00 2001
From: ozymandias89 <ozymandias89@users.noreply.github.com>
Date: Tue, 11 Aug 2015 12:24:43 +0200
Subject: [PATCH 40/61] Update readme

---
 Mobi/readme | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/Mobi/readme b/Mobi/readme
index 0ddd071..f5ec048 100644
--- a/Mobi/readme
+++ b/Mobi/readme
@@ -4,7 +4,8 @@
 
 Software Mobi load file pdb. The pdb file must be created with NMR technology. Mobi can calculate
 amino acid's residue mobility inside protein.
-The software can load the pdb file in its entirety (all models of protein), or in any models. 
+The software can load the pdb file in its entirety (all models of protein), or in any models.
+The user can choose the chain to load, the default is firdt chain of pdb file.
 Different metrics evaluate mobility part of the protein for exemple the everage scale distance,
 standard deviation, scale distance, the evaluation of angle phi, psi, and various logic mask.
 

From 2664752f61d928c78badc88c17c2c50d8a173d6c Mon Sep 17 00:00:00 2001
From: ozymandias89 <ozymandias89@users.noreply.github.com>
Date: Tue, 11 Aug 2015 12:53:07 +0200
Subject: [PATCH 41/61] Update readme

---
 Mobi/readme | 7 ++++++-
 1 file changed, 6 insertions(+), 1 deletion(-)

diff --git a/Mobi/readme b/Mobi/readme
index f5ec048..aa884f6 100644
--- a/Mobi/readme
+++ b/Mobi/readme
@@ -19,8 +19,11 @@ Remind that the output file must be deleted if you want rerun the program,
 if this were not the case, the output file could be added in append to the file.
 
 ==Usage==
-Requirement: NMR pdb file.
+Requirement: 
+Input: NMR pdb file.
+
 Execution: ./mobi pathpdbfile (opzion addition)
+
 Option:		-o	namefile for output to personalize the name of the output file, default is “stdout”
 		-v	set verbose of all object
 		-c 	set chain of protein to read (default is first chain)
@@ -31,3 +34,5 @@ Option:		-o	namefile for output to personalize the name of the output file, defa
 		-x	modify value of mobility of angle PSI
 		-h	help
 
+Output: Output is two file, the first will be fasta file with different mobility metrics, the second will be 
+	pdb file with save models and the last column changed with standard deviation and average scaled distance * 100.

From 11a21ab0279a7a0f14fd21788d773c06f99a09d8 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Tue, 11 Aug 2015 18:39:41 +0200
Subject: [PATCH 42/61] created folder test

---
 Makefile.global                |   8 +-
 Mobi/Tests/Makefile            |  57 +++++++++++++
 Mobi/Tests/TestMobi.cc         | 141 +++++++++++++++++++++++++++++++++
 Mobi/Tests/TestProteinModels.h |  74 +++++++++++++++++
 4 files changed, 278 insertions(+), 2 deletions(-)
 create mode 100644 Mobi/Tests/Makefile
 create mode 100644 Mobi/Tests/TestMobi.cc
 create mode 100644 Mobi/Tests/TestProteinModels.h

diff --git a/Makefile.global b/Makefile.global
index d571ae4..781398e 100644
--- a/Makefile.global
+++ b/Makefile.global
@@ -77,7 +77,7 @@ ifeq ($(verbose), 3)
   USERFLAGS += -DVERBOSE=3
 endif
 
-CFLAGS = $(USERFLAGS) 
+CFLAGS = $(USERFLAGS)
 
 #
 # Tools 
@@ -106,8 +106,10 @@ SUBDIRS += _dummy_
 
 LIB_PATH += -L$(UPDIR)/lib
 
-INC_PATH += -I$(UPDIR)/tools -I$(UPDIR)/Energy/Sources   -I$(UPDIR)/Biopool/Sources -I$(UPDIR)/Energy/Sources/TorsionPotential     -I$(UPDIR)/Lobo/Sources  -I$(UPDIR)/Align2/Sources -I$(UPDIR)/Mobi/Sources  -I$(UPDIR)/Biopool/APPS -I$(UPDIR)/Energy/APPS -I$(UPDIR)/Align2/APPS  -I$(UPDIR)/Lobo/APPS -I$(UPDIR)/Mobi/APPS
+### MODIFIED BY MOBI - ***LUCA DEMO***
+INC_PATH += -I$(UPDIR)/tools -I$(UPDIR)/Energy/Sources   -I$(UPDIR)/Biopool/Sources -I$(UPDIR)/Energy/Sources/TorsionPotential  -I$(UPDIR)/Lobo/Sources  -I$(UPDIR)/Align2/Sources  -I$(UPDIR)/Mobi/Sources -I$(UPDIR)/Biopool/APPS -I$(UPDIR)/Energy/APPS -I$(UPDIR)/Align2/APPS  -I$(UPDIR)/Lobo/APPS  -I$(UPDIR)/Mobi/APPS
 
+### MODIFIED BY MOBI - ***LUCA DEMO***
 ifdef test
   INC_PATH += -I$(UPDIR)/Biopool/Tests -I$(UPDIR)/Energy/Tests -I$(UPDIR)/Align2/Tests -I$(UPDIR)/Lobo/Tests -I$(UPDIR)/Mobi/Tests
   SUBDIRS =  Biopool/Tests Energy/Tests Align2/Tests Lobo/Tests Mobi/Tests
@@ -175,6 +177,8 @@ subclean:
 	$(RM) -fr ./Energy/data
 	$(RM) -fr ./Lobo/data
 	$(RM) -fr ./Biopool/data
+	$(RM) -fr ./Mobi/data
+	$(RM) -fr ./Mobi/data/*
 
 	
   
diff --git a/Mobi/Tests/Makefile b/Mobi/Tests/Makefile
new file mode 100644
index 0000000..dc4fd52
--- /dev/null
+++ b/Mobi/Tests/Makefile
@@ -0,0 +1,57 @@
+#--*- makefile -*--------------------------------------------------------------
+#
+#   Standard makefile
+#
+#------------------------------------------------------------------------------
+
+# Path to project directory.
+UPDIR = ../..
+# Path to subdirectories.
+SUBDIR=
+# Path to directory for binaries:
+BINPATH = ../../bin
+
+
+#
+# Libraries and paths (which are not defined globally).
+#
+
+LIBS = -lMobi -lBiopool -ltools -L/usr/lib/  -lm -ldl -lcppunit
+
+LIB_PATH = -L.
+
+INC_PATH = -I. -I../../tools/ -I../../Biopool/Sources -I../../Mobi/Sources
+
+#
+# Objects and headers
+#
+
+SOURCES =  TestMobi.cc TestProteinModels.h
+
+OBJECTS =  $(SOURCES:.cpp=.o)
+
+TARGETS = TestMobi
+
+EXECS = TestMobi
+
+LIBRARY = TESTlibMobi.a
+
+
+
+#
+# Install rule
+#
+
+compile: all
+	
+all: install
+
+install: $(LIBRARY) $(TARGETS)
+	mv $(EXECS) $(UPDIR)/bin
+	mv $(LIBRARY) $(UPDIR)/lib
+	
+#
+# Call global Makefile to do the job.
+#
+
+include ../../Makefile.global
\ No newline at end of file
diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc
new file mode 100644
index 0000000..af1f9d5
--- /dev/null
+++ b/Mobi/Tests/TestMobi.cc
@@ -0,0 +1,141 @@
+/*
+ @file    TestMobi.cc
+ @author  Riccardo Zanella, riccardozanella89@gmail.com
+ @version 1.0
+ */
+
+/* This file is part of Victor.
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+ You should have received a copy of the GNU General Public License
+ along with Victor. If not, see <http://www.gnu.org/licenses/>.
+ */
+
+#include <iostream>
+#include <cppunit/TestSuite.h>
+#include <cppunit/ui/text/TestRunner.h>
+
+#include <TestProteinModels.h>
+
+using namespace Victor::Mobi;
+using namespace Victor::Biopool;
+using namespace std;
+
+int main() {
+	CppUnit::TextUi::TestRunner runner;
+
+	cout << "Creating Test Suites:" << endl;
+	runner.addTest(TestProteinModels::suite());
+
+//	runner.addTest(TestMobiProtein::suite());
+//	runner.addTest(TestTM::suite());
+//	runner.addTest(TestMobiMethods::suite());
+
+	cout << "Running the unit tests. " << endl;
+	runner.run();
+	return 0;
+}
+
+
+
+
+/**
+ test object protein models. if i == 0 (load and save)
+ if i == 1 (load same models and save)
+ if i == 2 (load same models and save and impose and save vector of models)
+ @param (string output) , name of output file
+ @param int i , select type of test
+ @return void
+ */
+/*
+void TestMobi::TestProteinModels(string output, int i) {
+
+	// --------------------------------------------------
+	// 1. Initialization
+	// --------------------------------------------------
+	ifstream inputFile(output.c_str());
+	ProteinModels* protein_models = new ProteinModels();
+	protein_models->setVerbose();
+	PdbLoader pl(inputFile);
+	pl.setVerbose();
+
+	if (i == 0) {
+		// --------------------------------------------------
+		// 2. Load
+		// --------------------------------------------------
+		protein_models->load(pl);
+
+		// --------------------------------------------------
+		// 3. Save
+		// --------------------------------------------------
+		protein_models->save(output);
+	}
+	if (i == 1) {
+		// --------------------------------------------------
+		// 2. Load
+		// --------------------------------------------------
+		protein_models->loadSameModels(pl);
+
+		// --------------------------------------------------
+		// 3. Save
+		// --------------------------------------------------
+		protein_models->save(output);
+
+	}
+
+
+	if (i == 2) {
+		// --------------------------------------------------
+		// 2. Load
+		// --------------------------------------------------
+		protein_models->loadSameModels(pl);
+
+		// --------------------------------------------------
+		// 3. Save
+		// --------------------------------------------------
+		protein_models->save(output);
+
+
+		//SUPER IMPOSITION
+			unsigned int d = 0;
+
+			// ------------------------------------------------------
+			// 4. TmScore object make super imposition of each models
+			// ------------------------------------------------------
+
+			TmScore tm("./Mobi/data/TMscore", output, true);
+
+			Protein* traslata = new Protein();
+
+			for (unsigned int i = 0; i < protein_models->size() - 1; i++)
+				for (unsigned int j = i + 1; j < protein_models->size(); j++) {
+					traslata = tm.TmImpose(output + (itosDEF(i)),
+							output + (itosDEF(j)));
+					if (traslata != NULL) {
+
+						protein_models->addModels(*(traslata->getSpacer(d)));
+					} else
+						ERROR("Error in the creation of shift models.",
+								exeption);
+
+					protein_models->addModels(*(protein_models->getSpacer(j)));
+
+				}
+
+			// ------------------------------------------------------
+			// 5. save model vector that contain couple of models,
+			//    the first rototraslate, the second is the model
+			// ------------------------------------------------------
+
+			protein_models->printModels(output);
+
+	}
+
+}
+*/
diff --git a/Mobi/Tests/TestProteinModels.h b/Mobi/Tests/TestProteinModels.h
new file mode 100644
index 0000000..e7d8533
--- /dev/null
+++ b/Mobi/Tests/TestProteinModels.h
@@ -0,0 +1,74 @@
+/*
+ @file    TestProteinModels.h
+ @author  Riccardo Zanella, riccardozanella89@gmail.com
+ @version 1.0
+ */
+
+/* This file is part of Victor.
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+ You should have received a copy of the GNU General Public License
+ along with Victor. If not, see <http://www.gnu.org/licenses/>.
+ */
+
+#ifndef MOBI_TESTS_TESTPROTEINMODELS_H_
+#define MOBI_TESTS_TESTPROTEINMODELS_H_
+
+#include <iostream>
+#include <cppunit/TestFixture.h>
+#include <cppunit/TestAssert.h>
+#include <cppunit/TestCaller.h>
+#include <cppunit/TestSuite.h>
+#include <cppunit/TestCase.h>
+
+#include "ProteinModels.h"
+
+using namespace std;
+using namespace Victor::Mobi;
+
+
+class TestProteinModels : public CppUnit::TestFixture {
+public:
+	TestProteinModels(){}
+	virtual ~TestProteinModels(){}
+
+
+	 static CppUnit::Test *suite() {
+		CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite(
+				"TestProteinModels");
+
+		suiteOfTests->addTest(
+				new CppUnit::TestCaller<TestProteinModels>(
+						"Test1 - Populate the ProteinModels",
+						&TestProteinModels::testPopulation));
+
+		return suiteOfTests;
+	}
+
+	 /** @brief Setup method. */
+	void setUp() {
+	}
+	/** @brief Teardown method. */
+	void tearDown() {
+	}
+
+protected:
+	 /** @brief Test for parse/write. */
+	void testPopulation() {
+
+		cout << "Prima prova" << endl;
+		TestProteinModels* test = new ProteinModels();
+		delete test;
+	}
+
+	//void TestProteinModels(string __output, int __i);
+
+};
+
+#endif /* MOBI_TESTS_TESTPROTEINMODELS_H_ */

From 1a5184fd3095fd9f81dc8983b9c6546ba2d4f4a7 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Tue, 11 Aug 2015 18:56:23 +0200
Subject: [PATCH 43/61] creato test folder

---
 Mobi/APPS/mobi.cc        |  23 +++-
 Mobi/APPS/mobi.o         | Bin 37912 -> 40112 bytes
 Mobi/Tests/TESTlibMobi.a | 223 +++++++++++++++++++++++++++++++++++++++
 Mobi/Tests/TestMobi.o    | Bin 0 -> 13856 bytes
 Mobi/Tests/libMobi.a     | Bin 0 -> 27800 bytes
 Mobi/Tests/test.cc       |  31 ++++++
 Mobi/Tests/test.o        | Bin 0 -> 4536 bytes
 7 files changed, 276 insertions(+), 1 deletion(-)
 create mode 100644 Mobi/Tests/TESTlibMobi.a
 create mode 100644 Mobi/Tests/TestMobi.o
 create mode 100644 Mobi/Tests/libMobi.a
 create mode 100644 Mobi/Tests/test.cc
 create mode 100644 Mobi/Tests/test.o

diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index 1b76958..6251984 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -72,6 +72,7 @@ void sShowHelp() {
 	cout << "\t -o [FILE OUTPUT]  Output to file (default stdout)\n" << endl;
 	cout << "\t -m  load any models \n" << endl;
 
+	cout << "\t -c arg  Chain identifier to read (default is first chain)\n" << endl;
 	cout << "\t -s arg  Set bound everage scale distance mobility (default is 0.85)\n" << endl;
 	cout << "\t -d arg  Set bound standard deviation mobility (default is 0.09)\n" << endl;
 	cout << "\t -y arg  Set bound angle Phi mobility (default is 20)\n" << endl;
@@ -87,7 +88,7 @@ int main(int argc, char* argv[]) {
 
 	bool v, models;
 	double ScalD, StandD, anglePHI, anglePSI;
-	string inputFile, outputFile, input;
+	string inputFile, outputFile, input, chainID;
 
 	//guide with -h option
 	if (getArg("h", argc, argv)) {
@@ -100,6 +101,7 @@ int main(int argc, char* argv[]) {
 	}
 
 	getArg("o", outputFile, argc, argv, "!");
+	getArg("c", chainID, argc, argv, "!");
 	getArg("s", ScalD ,argc, argv, 0.85);
 	getArg("d", StandD ,argc, argv, 0.09);
 	getArg("y", anglePHI ,argc, argv, 20);
@@ -145,6 +147,25 @@ int main(int argc, char* argv[]) {
 //			&& (strcmp(input.c_str(), "n")) != 0);
 
 
+	 // User selected chain
+	if (chainID != "!") {
+		if (chainID.size() > 1)
+			ERROR("You can choose only 1 chain", error);
+		pl.setChain(chainID[0]);
+		pl.checkAndSetChain();
+		if (v)
+			cout << "Selected chain: " << chainID[0] << endl;
+	}	// First chain
+	else {
+		if (pl.getAllChains().size() > 0) {
+			pl.setChain(pl.getAllChains()[0]);
+			if (v)
+				cout << "Selected chain: " << pl.getAllChains()[0] << endl;
+			chainID = pl.getAllChains()[0];
+		} else if (v)
+			ERROR("No chains found. Quit...", exception);
+	}
+
 	if (!v)
 		cout << "\nLOAD..." << endl;
 
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index ce5d0721ae156b135a972a5b611f0aa5f845e2d7..57c4c239050e26e93138c340c44ae811f0822a8e 100644
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diff --git a/Mobi/Tests/TESTlibMobi.a b/Mobi/Tests/TESTlibMobi.a
new file mode 100644
index 0000000..ea039a5
--- /dev/null
+++ b/Mobi/Tests/TESTlibMobi.a
@@ -0,0 +1,223 @@
+!<arch>
+//                                              22        `
+TestProteinModels.h/
+
+TestMobi.cc/    1439304912  1000  1000  100664  4005      `
+/*
+ @file    TestMobi.cc
+ @author  Riccardo Zanella, riccardozanella89@gmail.com
+ @version 1.0
+ */
+
+/* This file is part of Victor.
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+ You should have received a copy of the GNU General Public License
+ along with Victor. If not, see <http://www.gnu.org/licenses/>.
+ */
+
+#include <iostream>
+#include <cppunit/TestSuite.h>
+#include <cppunit/ui/text/TestRunner.h>
+
+#include <TestProteinModels.h>
+
+using namespace Victor::Mobi;
+using namespace Victor::Biopool;
+using namespace std;
+
+int main() {
+	CppUnit::TextUi::TestRunner runner;
+
+	cout << "Creating Test Suites:" << endl;
+	runner.addTest(TestProteinModels::suite());
+
+//	runner.addTest(TestMobiProtein::suite());
+//	runner.addTest(TestTM::suite());
+//	runner.addTest(TestMobiMethods::suite());
+
+	cout << "Running the unit tests. " << endl;
+	runner.run();
+	return 0;
+}
+
+
+
+
+/**
+ test object protein models. if i == 0 (load and save)
+ if i == 1 (load same models and save)
+ if i == 2 (load same models and save and impose and save vector of models)
+ @param (string output) , name of output file
+ @param int i , select type of test
+ @return void
+ */
+/*
+void TestMobi::TestProteinModels(string output, int i) {
+
+	// --------------------------------------------------
+	// 1. Initialization
+	// --------------------------------------------------
+	ifstream inputFile(output.c_str());
+	ProteinModels* protein_models = new ProteinModels();
+	protein_models->setVerbose();
+	PdbLoader pl(inputFile);
+	pl.setVerbose();
+
+	if (i == 0) {
+		// --------------------------------------------------
+		// 2. Load
+		// --------------------------------------------------
+		protein_models->load(pl);
+
+		// --------------------------------------------------
+		// 3. Save
+		// --------------------------------------------------
+		protein_models->save(output);
+	}
+	if (i == 1) {
+		// --------------------------------------------------
+		// 2. Load
+		// --------------------------------------------------
+		protein_models->loadSameModels(pl);
+
+		// --------------------------------------------------
+		// 3. Save
+		// --------------------------------------------------
+		protein_models->save(output);
+
+	}
+
+
+	if (i == 2) {
+		// --------------------------------------------------
+		// 2. Load
+		// --------------------------------------------------
+		protein_models->loadSameModels(pl);
+
+		// --------------------------------------------------
+		// 3. Save
+		// --------------------------------------------------
+		protein_models->save(output);
+
+
+		//SUPER IMPOSITION
+			unsigned int d = 0;
+
+			// ------------------------------------------------------
+			// 4. TmScore object make super imposition of each models
+			// ------------------------------------------------------
+
+			TmScore tm("./Mobi/data/TMscore", output, true);
+
+			Protein* traslata = new Protein();
+
+			for (unsigned int i = 0; i < protein_models->size() - 1; i++)
+				for (unsigned int j = i + 1; j < protein_models->size(); j++) {
+					traslata = tm.TmImpose(output + (itosDEF(i)),
+							output + (itosDEF(j)));
+					if (traslata != NULL) {
+
+						protein_models->addModels(*(traslata->getSpacer(d)));
+					} else
+						ERROR("Error in the creation of shift models.",
+								exeption);
+
+					protein_models->addModels(*(protein_models->getSpacer(j)));
+
+				}
+
+			// ------------------------------------------------------
+			// 5. save model vector that contain couple of models,
+			//    the first rototraslate, the second is the model
+			// ------------------------------------------------------
+
+			protein_models->printModels(output);
+
+	}
+
+}
+*/
+
+/0              1439307208  1000  1000  100664  1901      `
+/*
+ @file    TestProteinModels.h
+ @author  Riccardo Zanella, riccardozanella89@gmail.com
+ @version 1.0
+ */
+
+/* This file is part of Victor.
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+ You should have received a copy of the GNU General Public License
+ along with Victor. If not, see <http://www.gnu.org/licenses/>.
+ */
+
+#ifndef MOBI_TESTS_TESTPROTEINMODELS_H_
+#define MOBI_TESTS_TESTPROTEINMODELS_H_
+
+#include <iostream>
+#include <cppunit/TestFixture.h>
+#include <cppunit/TestAssert.h>
+#include <cppunit/TestCaller.h>
+#include <cppunit/TestSuite.h>
+#include <cppunit/TestCase.h>
+
+#include "ProteinModels.h"
+
+using namespace std;
+using namespace Victor::Mobi;
+
+
+class TestProteinModels : public CppUnit::TestFixture {
+public:
+	TestProteinModels(){}
+	virtual ~TestProteinModels(){}
+
+
+	 static CppUnit::Test *suite() {
+		CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite(
+				"TestProteinModels");
+
+		suiteOfTests->addTest(
+				new CppUnit::TestCaller<TestProteinModels>(
+						"Test1 - Populate the ProteinModels",
+						&TestProteinModels::testPopulation));
+
+		return suiteOfTests;
+	}
+
+	 /** @brief Setup method. */
+	void setUp() {
+	}
+	/** @brief Teardown method. */
+	void tearDown() {
+	}
+
+protected:
+	 /** @brief Test for parse/write. */
+	void testPopulation() {
+
+		cout << "Prima prova" << endl;
+		TestProteinModels* test = new ProteinModels();
+		delete test;
+	}
+
+	//void TestProteinModels(string __output, int __i);
+
+};
+
+#endif /* MOBI_TESTS_TESTPROTEINMODELS_H_ */
+
diff --git a/Mobi/Tests/TestMobi.o b/Mobi/Tests/TestMobi.o
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diff --git a/Mobi/Tests/test.cc b/Mobi/Tests/test.cc
new file mode 100644
index 0000000..5675f81
--- /dev/null
+++ b/Mobi/Tests/test.cc
@@ -0,0 +1,31 @@
+
+/*
+ @file    test.cc
+ @author  Riccardo Zanella, riccardozanella89@gmail.com
+ @version 1.0
+ */
+
+
+// Includes:
+#include <TestProteinModels.h>
+
+using namespace Victor;
+using namespace Victor::Mobi;
+
+int main(int argc, char* argv[]) {
+
+	if (argc!=3)
+		ERROR("Give me me output path! and the integer to test. (see signature test)", error);
+
+
+	string output = argv[1];
+	int i =atoi(argv[2]);
+
+	//TestMobi* test = new TestMobi;
+
+	//test->TestProteinModels(output,i);
+
+
+
+	return 0;
+}
diff --git a/Mobi/Tests/test.o b/Mobi/Tests/test.o
new file mode 100644
index 0000000000000000000000000000000000000000..bfe37a0c1161d8233f982625547e4c55a7b07754
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literal 0
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From d852fc4dee310b5de38a76da9a57d18448123223 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Tue, 11 Aug 2015 21:10:34 +0200
Subject: [PATCH 44/61] elimiti file superflui

---
 Mobi/Tests/TESTlibMobi.a | 223 ---------------------------------------
 Mobi/Tests/TestMobi.o    | Bin 13856 -> 0 bytes
 Mobi/Tests/libMobi.a     | Bin 27800 -> 0 bytes
 Mobi/Tests/test.cc       |  31 ------
 Mobi/Tests/test.o        | Bin 4536 -> 0 bytes
 5 files changed, 254 deletions(-)
 delete mode 100644 Mobi/Tests/TESTlibMobi.a
 delete mode 100644 Mobi/Tests/TestMobi.o
 delete mode 100644 Mobi/Tests/libMobi.a
 delete mode 100644 Mobi/Tests/test.cc
 delete mode 100644 Mobi/Tests/test.o

diff --git a/Mobi/Tests/TESTlibMobi.a b/Mobi/Tests/TESTlibMobi.a
deleted file mode 100644
index ea039a5..0000000
--- a/Mobi/Tests/TESTlibMobi.a
+++ /dev/null
@@ -1,223 +0,0 @@
-!<arch>
-//                                              22        `
-TestProteinModels.h/
-
-TestMobi.cc/    1439304912  1000  1000  100664  4005      `
-/*
- @file    TestMobi.cc
- @author  Riccardo Zanella, riccardozanella89@gmail.com
- @version 1.0
- */
-
-/* This file is part of Victor.
- Victor is free software: you can redistribute it and/or modify
- it under the terms of the GNU General Public License as published by
- the Free Software Foundation, either version 3 of the License, or
- (at your option) any later version.
- Victor is distributed in the hope that it will be useful,
- but WITHOUT ANY WARRANTY; without even the implied warranty of
- MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
- GNU General Public License for more details.
- You should have received a copy of the GNU General Public License
- along with Victor. If not, see <http://www.gnu.org/licenses/>.
- */
-
-#include <iostream>
-#include <cppunit/TestSuite.h>
-#include <cppunit/ui/text/TestRunner.h>
-
-#include <TestProteinModels.h>
-
-using namespace Victor::Mobi;
-using namespace Victor::Biopool;
-using namespace std;
-
-int main() {
-	CppUnit::TextUi::TestRunner runner;
-
-	cout << "Creating Test Suites:" << endl;
-	runner.addTest(TestProteinModels::suite());
-
-//	runner.addTest(TestMobiProtein::suite());
-//	runner.addTest(TestTM::suite());
-//	runner.addTest(TestMobiMethods::suite());
-
-	cout << "Running the unit tests. " << endl;
-	runner.run();
-	return 0;
-}
-
-
-
-
-/**
- test object protein models. if i == 0 (load and save)
- if i == 1 (load same models and save)
- if i == 2 (load same models and save and impose and save vector of models)
- @param (string output) , name of output file
- @param int i , select type of test
- @return void
- */
-/*
-void TestMobi::TestProteinModels(string output, int i) {
-
-	// --------------------------------------------------
-	// 1. Initialization
-	// --------------------------------------------------
-	ifstream inputFile(output.c_str());
-	ProteinModels* protein_models = new ProteinModels();
-	protein_models->setVerbose();
-	PdbLoader pl(inputFile);
-	pl.setVerbose();
-
-	if (i == 0) {
-		// --------------------------------------------------
-		// 2. Load
-		// --------------------------------------------------
-		protein_models->load(pl);
-
-		// --------------------------------------------------
-		// 3. Save
-		// --------------------------------------------------
-		protein_models->save(output);
-	}
-	if (i == 1) {
-		// --------------------------------------------------
-		// 2. Load
-		// --------------------------------------------------
-		protein_models->loadSameModels(pl);
-
-		// --------------------------------------------------
-		// 3. Save
-		// --------------------------------------------------
-		protein_models->save(output);
-
-	}
-
-
-	if (i == 2) {
-		// --------------------------------------------------
-		// 2. Load
-		// --------------------------------------------------
-		protein_models->loadSameModels(pl);
-
-		// --------------------------------------------------
-		// 3. Save
-		// --------------------------------------------------
-		protein_models->save(output);
-
-
-		//SUPER IMPOSITION
-			unsigned int d = 0;
-
-			// ------------------------------------------------------
-			// 4. TmScore object make super imposition of each models
-			// ------------------------------------------------------
-
-			TmScore tm("./Mobi/data/TMscore", output, true);
-
-			Protein* traslata = new Protein();
-
-			for (unsigned int i = 0; i < protein_models->size() - 1; i++)
-				for (unsigned int j = i + 1; j < protein_models->size(); j++) {
-					traslata = tm.TmImpose(output + (itosDEF(i)),
-							output + (itosDEF(j)));
-					if (traslata != NULL) {
-
-						protein_models->addModels(*(traslata->getSpacer(d)));
-					} else
-						ERROR("Error in the creation of shift models.",
-								exeption);
-
-					protein_models->addModels(*(protein_models->getSpacer(j)));
-
-				}
-
-			// ------------------------------------------------------
-			// 5. save model vector that contain couple of models,
-			//    the first rototraslate, the second is the model
-			// ------------------------------------------------------
-
-			protein_models->printModels(output);
-
-	}
-
-}
-*/
-
-/0              1439307208  1000  1000  100664  1901      `
-/*
- @file    TestProteinModels.h
- @author  Riccardo Zanella, riccardozanella89@gmail.com
- @version 1.0
- */
-
-/* This file is part of Victor.
- Victor is free software: you can redistribute it and/or modify
- it under the terms of the GNU General Public License as published by
- the Free Software Foundation, either version 3 of the License, or
- (at your option) any later version.
- Victor is distributed in the hope that it will be useful,
- but WITHOUT ANY WARRANTY; without even the implied warranty of
- MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
- GNU General Public License for more details.
- You should have received a copy of the GNU General Public License
- along with Victor. If not, see <http://www.gnu.org/licenses/>.
- */
-
-#ifndef MOBI_TESTS_TESTPROTEINMODELS_H_
-#define MOBI_TESTS_TESTPROTEINMODELS_H_
-
-#include <iostream>
-#include <cppunit/TestFixture.h>
-#include <cppunit/TestAssert.h>
-#include <cppunit/TestCaller.h>
-#include <cppunit/TestSuite.h>
-#include <cppunit/TestCase.h>
-
-#include "ProteinModels.h"
-
-using namespace std;
-using namespace Victor::Mobi;
-
-
-class TestProteinModels : public CppUnit::TestFixture {
-public:
-	TestProteinModels(){}
-	virtual ~TestProteinModels(){}
-
-
-	 static CppUnit::Test *suite() {
-		CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite(
-				"TestProteinModels");
-
-		suiteOfTests->addTest(
-				new CppUnit::TestCaller<TestProteinModels>(
-						"Test1 - Populate the ProteinModels",
-						&TestProteinModels::testPopulation));
-
-		return suiteOfTests;
-	}
-
-	 /** @brief Setup method. */
-	void setUp() {
-	}
-	/** @brief Teardown method. */
-	void tearDown() {
-	}
-
-protected:
-	 /** @brief Test for parse/write. */
-	void testPopulation() {
-
-		cout << "Prima prova" << endl;
-		TestProteinModels* test = new ProteinModels();
-		delete test;
-	}
-
-	//void TestProteinModels(string __output, int __i);
-
-};
-
-#endif /* MOBI_TESTS_TESTPROTEINMODELS_H_ */
-
diff --git a/Mobi/Tests/TestMobi.o b/Mobi/Tests/TestMobi.o
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diff --git a/Mobi/Tests/test.cc b/Mobi/Tests/test.cc
deleted file mode 100644
index 5675f81..0000000
--- a/Mobi/Tests/test.cc
+++ /dev/null
@@ -1,31 +0,0 @@
-
-/*
- @file    test.cc
- @author  Riccardo Zanella, riccardozanella89@gmail.com
- @version 1.0
- */
-
-
-// Includes:
-#include <TestProteinModels.h>
-
-using namespace Victor;
-using namespace Victor::Mobi;
-
-int main(int argc, char* argv[]) {
-
-	if (argc!=3)
-		ERROR("Give me me output path! and the integer to test. (see signature test)", error);
-
-
-	string output = argv[1];
-	int i =atoi(argv[2]);
-
-	//TestMobi* test = new TestMobi;
-
-	//test->TestProteinModels(output,i);
-
-
-
-	return 0;
-}
diff --git a/Mobi/Tests/test.o b/Mobi/Tests/test.o
deleted file mode 100644
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z2L<a26y5#@F&yz^i54LrNnGcDs_<3&pQrG@)cACR<2{Um_IE;~_`g9A1abUdg7EJV
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NM?T5(vV(lp&c8C-d~5&!


From 944fe86eb3b862c7de3d1d17f845253ee6c537b2 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Tue, 11 Aug 2015 21:20:02 +0200
Subject: [PATCH 45/61] test correctly setted!

---
 .cproject                      | 2 +-
 Mobi/Tests/TestProteinModels.h | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/.cproject b/.cproject
index 63da05e..7381f00 100644
--- a/.cproject
+++ b/.cproject
@@ -20,7 +20,7 @@
 							<option id="cdt.managedbuild.option.gnu.cross.prefix.258209284" name="Prefix" superClass="cdt.managedbuild.option.gnu.cross.prefix"/>
 							<option id="cdt.managedbuild.option.gnu.cross.path.509310917" name="Path" superClass="cdt.managedbuild.option.gnu.cross.path"/>
 							<targetPlatform archList="all" binaryParser="org.eclipse.cdt.core.ELF" id="cdt.managedbuild.targetPlatform.gnu.cross.265199028" isAbstract="false" osList="all" superClass="cdt.managedbuild.targetPlatform.gnu.cross"/>
-							<builder arguments="-f Makefile" command="make" id="cdt.managedbuild.builder.gnu.cross.926951898" incrementalBuildTarget="install" keepEnvironmentInBuildfile="false" managedBuildOn="false" name="Gnu Make Builder" parallelBuildOn="true" parallelizationNumber="optimal" superClass="cdt.managedbuild.builder.gnu.cross"/>
+							<builder arguments="-f Makefile test=1" command="make" id="cdt.managedbuild.builder.gnu.cross.926951898" incrementalBuildTarget="install" keepEnvironmentInBuildfile="false" managedBuildOn="false" name="Gnu Make Builder" parallelBuildOn="true" parallelizationNumber="optimal" superClass="cdt.managedbuild.builder.gnu.cross"/>
 							<tool id="cdt.managedbuild.tool.gnu.cross.c.compiler.933527225" name="Cross GCC Compiler" superClass="cdt.managedbuild.tool.gnu.cross.c.compiler">
 								<inputType id="cdt.managedbuild.tool.gnu.c.compiler.input.1818742666" superClass="cdt.managedbuild.tool.gnu.c.compiler.input"/>
 							</tool>
diff --git a/Mobi/Tests/TestProteinModels.h b/Mobi/Tests/TestProteinModels.h
index e7d8533..611bd17 100644
--- a/Mobi/Tests/TestProteinModels.h
+++ b/Mobi/Tests/TestProteinModels.h
@@ -63,7 +63,7 @@ class TestProteinModels : public CppUnit::TestFixture {
 	void testPopulation() {
 
 		cout << "Prima prova" << endl;
-		TestProteinModels* test = new ProteinModels();
+		TestProteinModels* test = new TestProteinModels();
 		delete test;
 	}
 

From 9d51e3500ebe43b326bb58a2bd2fa0a903a9ff28 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Wed, 12 Aug 2015 14:09:11 +0200
Subject: [PATCH 46/61] created test for classproteinmodels

---
 Mobi/Sources/ProteinModels.cc     |   6 +-
 Mobi/Sources/StandardDeviation.cc |   2 +-
 Mobi/Tests/TestProteinModels.h    | 100 +++++++++++++++++++++++++++---
 3 files changed, 96 insertions(+), 12 deletions(-)

diff --git a/Mobi/Sources/ProteinModels.cc b/Mobi/Sources/ProteinModels.cc
index ba1b622..e261dfc 100644
--- a/Mobi/Sources/ProteinModels.cc
+++ b/Mobi/Sources/ProteinModels.cc
@@ -102,7 +102,7 @@ unsigned int ProteinModels::selectModels(PdbLoader& pl) {
 	unsigned int modelNum;
 	string input;
 
-	cout << "Quanti ne vuoi caricare? Inserisci un valore compreso tra 2 e ";
+	cout << "How much do you want load? Insert a value between 2 and ";
 	cout << pl.getMaxModels() << endl;
 
 	getline(cin, input);
@@ -128,13 +128,13 @@ unsigned int ProteinModels::selectModels(PdbLoader& pl) {
  */
 void ProteinModels::loadSameModels(PdbLoader& pl) {
 
-	unsigned int d;
+	unsigned int d=0;
 	unsigned int modelNum = selectModels(pl);
 
 	for (unsigned int i = 1; i <= modelNum; i++) {
 		if (verbose)
 			cout << "\t>>>model#" << i << endl;
-		pl.setModel(i);	//dal pdb loader scelgo il modello da caricare nella proteina
+		pl.setModel(i);	//from pdb loader choose model to load in the protein
 		pl.checkModel();
 		this->Protein::load(pl);          // creates the Protein object
 	}
diff --git a/Mobi/Sources/StandardDeviation.cc b/Mobi/Sources/StandardDeviation.cc
index 3253b18..942cfbc 100644
--- a/Mobi/Sources/StandardDeviation.cc
+++ b/Mobi/Sources/StandardDeviation.cc
@@ -67,7 +67,7 @@ void StandardDeviation::getCaAtom(Spacer* s, bool flag) {
 			this->CaVector2.push_back(a->getAtom(i));
 
 		if (a->getAtom(i).getCode() != CA)
-			ERROR("L'atomo trovato non è un carbonio alfa.", exception);
+			ERROR("Atom find is not CA atom.", exception);
 
 	}
 
diff --git a/Mobi/Tests/TestProteinModels.h b/Mobi/Tests/TestProteinModels.h
index 611bd17..965c08f 100644
--- a/Mobi/Tests/TestProteinModels.h
+++ b/Mobi/Tests/TestProteinModels.h
@@ -28,14 +28,16 @@
 #include <cppunit/TestCase.h>
 
 #include "ProteinModels.h"
+#include <TmScore.h>
 
 using namespace std;
 using namespace Victor::Mobi;
 
 
 class TestProteinModels : public CppUnit::TestFixture {
+
 public:
-	TestProteinModels(){}
+	TestProteinModels() {}
 	virtual ~TestProteinModels(){}
 
 
@@ -43,10 +45,18 @@ class TestProteinModels : public CppUnit::TestFixture {
 		CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite(
 				"TestProteinModels");
 
+//		suiteOfTests->addTest(
+//				new CppUnit::TestCaller<TestProteinModels>(
+//						"Test1 - Populate the ProteinModels",
+//						&TestProteinModels::testPopulation));
+//		suiteOfTests->addTest(
+//						new CppUnit::TestCaller<TestProteinModels>(
+//								"Test2 - Correct aminoacid sequence",
+//								&TestProteinModels::aminoSequence));
 		suiteOfTests->addTest(
-				new CppUnit::TestCaller<TestProteinModels>(
-						"Test1 - Populate the ProteinModels",
-						&TestProteinModels::testPopulation));
+								new CppUnit::TestCaller<TestProteinModels>(
+										"Test3 - Correct load protein rototralated",
+										&TestProteinModels::rototraslated));
 
 		return suiteOfTests;
 	}
@@ -62,12 +72,86 @@ class TestProteinModels : public CppUnit::TestFixture {
 	 /** @brief Test for parse/write. */
 	void testPopulation() {
 
-		cout << "Prima prova" << endl;
-		TestProteinModels* test = new TestProteinModels();
-		delete test;
+		ifstream inputFile("/home/riccardo/mobi/1AB2_input.pdb");
+		PdbLoader pl(inputFile);
+		pl.setVerbose();
+		ProteinModels test;
+		test.setVerbose();
+
+		test.load(pl);
+
+		cout << endl << "Models in pdb file is: " << pl.getMaxModels() << "\n"
+		                        << "Models load is" << test.original_models.size() << endl;
+				CPPUNIT_ASSERT( pl.getMaxModels() == test.original_models.size() );
+
 	}
 
-	//void TestProteinModels(string __output, int __i);
+	void aminoSequence() {
+
+			unsigned d = 0;
+			string aminoaced_sequence="GSGNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRGIHRD";
+			string amino;
+			ifstream inputFile("/home/riccardo/mobi/1AB2_input.pdb");
+			PdbLoader pl(inputFile);
+			pl.setVerbose();
+			ProteinModels* test=new ProteinModels;
+			test->setVerbose();
+
+
+			pl.setModel(1);
+			pl.checkModel();
+			test->Protein::load(pl);
+
+			for (unsigned int i = 0; i < test->getSpacer(d)->sizeAmino(); i++)
+						amino+= (test->getSpacer(d)->getAmino(i).getType1L());
+
+			cout << endl << "Sequence in pdb file is: " << aminoaced_sequence << "\n"
+			                        << "Sequence load is" << amino << endl;
+					CPPUNIT_ASSERT( aminoaced_sequence == amino );
+
+		}
+
+	void rototraslated() {
+
+		unsigned int d = 0;
+
+		ifstream inputFile("/home/riccardo/mobi/1AB2_input.pdb");
+		string outputFile = "../Mobi/data/stdout";
+		PdbLoader pl(inputFile);
+		pl.setVerbose();
+		ProteinModels test;
+		test.setVerbose();
+
+		test.loadSameModels(pl);
+
+		test.save(outputFile);
+
+		TmScore tm("../Mobi/data/TMscore", outputFile, true);
+
+		Protein* traslata = new Protein();
+
+		for (unsigned int i = 0; i < test.size() - 1; i++)
+			for (unsigned int j = i + 1; j < test.size(); j++) {
+				traslata = tm.TmImpose(outputFile + (itosDEF(i)),
+						outputFile + (itosDEF(j)));
+				if (traslata != NULL) {
+
+					test.addModels(*(traslata->getSpacer(d)));
+				} else
+					ERROR("Error in the creation of shift models.", exeption);
+
+				test.addModels(*(test.getSpacer(j)));
+
+			}
+		cout << endl << "Models load is: " << test.original_models.size()
+				<< "\n"
+				<< "Models load whit models rototraslated (all models imposed on all models) "
+				<< test.models.size() << endl;
+		unsigned int test_model_size = (test.original_models.size()
+				* (test.original_models.size() - 1));
+		CPPUNIT_ASSERT(test_model_size == test.models.size());
+
+	}
 
 };
 

From 4b269dd3a6044fd03c43bd52d1ce97b5f3f3f145 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Wed, 12 Aug 2015 15:18:47 +0200
Subject: [PATCH 47/61] create test for print models

---
 Mobi/Tests/TestProteinModels.h | 155 ++++++++++++++++++++++++++-------
 1 file changed, 123 insertions(+), 32 deletions(-)

diff --git a/Mobi/Tests/TestProteinModels.h b/Mobi/Tests/TestProteinModels.h
index 965c08f..655c857 100644
--- a/Mobi/Tests/TestProteinModels.h
+++ b/Mobi/Tests/TestProteinModels.h
@@ -45,18 +45,22 @@ class TestProteinModels : public CppUnit::TestFixture {
 		CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite(
 				"TestProteinModels");
 
-//		suiteOfTests->addTest(
-//				new CppUnit::TestCaller<TestProteinModels>(
-//						"Test1 - Populate the ProteinModels",
-//						&TestProteinModels::testPopulation));
-//		suiteOfTests->addTest(
-//						new CppUnit::TestCaller<TestProteinModels>(
-//								"Test2 - Correct aminoacid sequence",
-//								&TestProteinModels::aminoSequence));
+		suiteOfTests->addTest(
+				new CppUnit::TestCaller<TestProteinModels>(
+						"Test1 - Populate the ProteinModels",
+						&TestProteinModels::testPopulation));
+		suiteOfTests->addTest(
+						new CppUnit::TestCaller<TestProteinModels>(
+								"Test2 - Correct aminoacid sequence",
+								&TestProteinModels::aminoSequence));
 		suiteOfTests->addTest(
 								new CppUnit::TestCaller<TestProteinModels>(
 										"Test3 - Correct load protein rototralated",
 										&TestProteinModels::rototraslated));
+		suiteOfTests->addTest(
+						new CppUnit::TestCaller<TestProteinModels>(
+								"Test4 - Save protein models rototraslated",
+								&TestProteinModels::printModels));
 
 		return suiteOfTests;
 	}
@@ -72,47 +76,69 @@ class TestProteinModels : public CppUnit::TestFixture {
 	 /** @brief Test for parse/write. */
 	void testPopulation() {
 
+		// --------------------------------------------------
+		// 1. Initialization
+		// --------------------------------------------------
+
 		ifstream inputFile("/home/riccardo/mobi/1AB2_input.pdb");
 		PdbLoader pl(inputFile);
 		pl.setVerbose();
 		ProteinModels test;
 		test.setVerbose();
 
+		// --------------------------------------------------
+		// 2. Load
+		// --------------------------------------------------
 		test.load(pl);
 
+		// --------------------------------------------------
+		// 3. Test
+		// --------------------------------------------------
 		cout << endl << "Models in pdb file is: " << pl.getMaxModels() << "\n"
-		                        << "Models load is" << test.original_models.size() << endl;
-				CPPUNIT_ASSERT( pl.getMaxModels() == test.original_models.size() );
+				<< "Models load is" << test.original_models.size() << endl;
+		CPPUNIT_ASSERT(pl.getMaxModels() == test.original_models.size());
 
 	}
 
 	void aminoSequence() {
 
-			unsigned d = 0;
-			string aminoaced_sequence="GSGNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRGIHRD";
-			string amino;
-			ifstream inputFile("/home/riccardo/mobi/1AB2_input.pdb");
-			PdbLoader pl(inputFile);
-			pl.setVerbose();
-			ProteinModels* test=new ProteinModels;
-			test->setVerbose();
-
-
-			pl.setModel(1);
-			pl.checkModel();
-			test->Protein::load(pl);
-
-			for (unsigned int i = 0; i < test->getSpacer(d)->sizeAmino(); i++)
-						amino+= (test->getSpacer(d)->getAmino(i).getType1L());
-
-			cout << endl << "Sequence in pdb file is: " << aminoaced_sequence << "\n"
-			                        << "Sequence load is" << amino << endl;
-					CPPUNIT_ASSERT( aminoaced_sequence == amino );
+		// --------------------------------------------------
+		// 1. Initialization
+		// --------------------------------------------------
+		unsigned d = 0;
+		string aminoaced_sequence =
+				"GSGNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRGIHRD";
+		string amino;
+		ifstream inputFile("/home/riccardo/mobi/1AB2_input.pdb");
+		PdbLoader pl(inputFile);
+		pl.setVerbose();
+		ProteinModels* test = new ProteinModels;
+		test->setVerbose();
+
+		// --------------------------------------------------
+		// 2. Load
+		// --------------------------------------------------
+		pl.setModel(1);
+		pl.checkModel();
+		test->Protein::load(pl);
+
+		for (unsigned int i = 0; i < test->getSpacer(d)->sizeAmino(); i++)
+			amino += (test->getSpacer(d)->getAmino(i).getType1L());
+
+		// --------------------------------------------------
+		// 3. Test
+		// --------------------------------------------------
+		cout << endl << "Sequence in pdb file is: " << aminoaced_sequence
+				<< "\n" << "Sequence load is" << amino << endl;
+		CPPUNIT_ASSERT(aminoaced_sequence == amino);
 
-		}
+	}
 
 	void rototraslated() {
 
+		// --------------------------------------------------
+		// 1. Initialization
+		// --------------------------------------------------
 		unsigned int d = 0;
 
 		ifstream inputFile("/home/riccardo/mobi/1AB2_input.pdb");
@@ -122,10 +148,20 @@ class TestProteinModels : public CppUnit::TestFixture {
 		ProteinModels test;
 		test.setVerbose();
 
+		// --------------------------------------------------
+		// 2. Load
+		// --------------------------------------------------
 		test.loadSameModels(pl);
 
+		// --------------------------------------------------
+		// 2. Save
+		// --------------------------------------------------
+
 		test.save(outputFile);
 
+		// --------------------------------------------------
+		// 2. Rototranslation
+		// --------------------------------------------------
 		TmScore tm("../Mobi/data/TMscore", outputFile, true);
 
 		Protein* traslata = new Protein();
@@ -143,9 +179,13 @@ class TestProteinModels : public CppUnit::TestFixture {
 				test.addModels(*(test.getSpacer(j)));
 
 			}
+		// --------------------------------------------------------
+		// 2. Test save model vector that contain couple of models,
+		//    the first rototranslate, the second is the model
+		// --------------------------------------------------------
 		cout << endl << "Models load is: " << test.original_models.size()
 				<< "\n"
-				<< "Models load whit models rototraslated (all models imposed on all models) "
+				<< "Models load whit models rototranslated (all models imposed on all models) "
 				<< test.models.size() << endl;
 		unsigned int test_model_size = (test.original_models.size()
 				* (test.original_models.size() - 1));
@@ -153,6 +193,57 @@ class TestProteinModels : public CppUnit::TestFixture {
 
 	}
 
+	void printModels() {
+
+		// --------------------------------------------------
+		// 1. Initialization
+		// --------------------------------------------------
+		unsigned int d = 0;
+
+		ifstream inputFile("/home/riccardo/mobi/1AB2_input.pdb");
+		string outputFile = "../Mobi/data/stdout";
+		PdbLoader pl(inputFile);
+		pl.setVerbose();
+		ProteinModels test;
+		test.setVerbose();
+		// --------------------------------------------------
+		// 2. Load
+		// --------------------------------------------------
+		test.loadSameModels(pl);
+		// --------------------------------------------------
+		// 2. Save
+		// --------------------------------------------------
+		test.save(outputFile);
+		// --------------------------------------------------
+		// 2. Rototraslation
+		// --------------------------------------------------
+		TmScore tm("../Mobi/data/TMscore", outputFile, true);
+
+		Protein* traslata = new Protein();
+
+		for (unsigned int i = 0; i < test.size() - 1; i++)
+			for (unsigned int j = i + 1; j < test.size(); j++) {
+				traslata = tm.TmImpose(outputFile + (itosDEF(i)),
+						outputFile + (itosDEF(j)));
+				if (traslata != NULL) {
+
+					test.addModels(*(traslata->getSpacer(d)));
+				} else
+					ERROR("Error in the creation of shift models.", exeption);
+
+				test.addModels(*(test.getSpacer(j)));
+
+			}
+		// ------------------------------------------------------
+		// 5. save model vector that contain couple of models,
+		//    the first rototranslate, the second is the model
+		// ------------------------------------------------------
+
+		test.printModels(outputFile);
+		cout << endl << "File saved in folder data: " << endl;
+
+	}
+
 };
 
 #endif /* MOBI_TESTS_TESTPROTEINMODELS_H_ */

From 2ab62b5caca1d45f589e64a027ea80f57d318c11 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Wed, 12 Aug 2015 16:56:00 +0200
Subject: [PATCH 48/61] add StandarDeviation.h

---
 Mobi/Tests/Makefile                |   2 +-
 Mobi/Tests/TestMobi.cc             | 104 +-------------
 Mobi/Tests/TestStandardDeviation.h | 220 +++++++++++++++++++++++++++++
 3 files changed, 224 insertions(+), 102 deletions(-)
 create mode 100644 Mobi/Tests/TestStandardDeviation.h

diff --git a/Mobi/Tests/Makefile b/Mobi/Tests/Makefile
index dc4fd52..84d4aa5 100644
--- a/Mobi/Tests/Makefile
+++ b/Mobi/Tests/Makefile
@@ -26,7 +26,7 @@ INC_PATH = -I. -I../../tools/ -I../../Biopool/Sources -I../../Mobi/Sources
 # Objects and headers
 #
 
-SOURCES =  TestMobi.cc TestProteinModels.h
+SOURCES =  TestMobi.cc TestProteinModels.h TestStandardDeviation.h
 
 OBJECTS =  $(SOURCES:.cpp=.o)
 
diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc
index af1f9d5..a23805e 100644
--- a/Mobi/Tests/TestMobi.cc
+++ b/Mobi/Tests/TestMobi.cc
@@ -22,6 +22,7 @@
 #include <cppunit/ui/text/TestRunner.h>
 
 #include <TestProteinModels.h>
+#include <TestStandardDeviation.h>
 
 using namespace Victor::Mobi;
 using namespace Victor::Biopool;
@@ -32,110 +33,11 @@ int main() {
 
 	cout << "Creating Test Suites:" << endl;
 	runner.addTest(TestProteinModels::suite());
-
-//	runner.addTest(TestMobiProtein::suite());
-//	runner.addTest(TestTM::suite());
+	runner.addTest(TestStandardDeviation::suite());
+	//runner.addTest(TestSecondaryStructure::suite());
 //	runner.addTest(TestMobiMethods::suite());
 
 	cout << "Running the unit tests. " << endl;
 	runner.run();
 	return 0;
 }
-
-
-
-
-/**
- test object protein models. if i == 0 (load and save)
- if i == 1 (load same models and save)
- if i == 2 (load same models and save and impose and save vector of models)
- @param (string output) , name of output file
- @param int i , select type of test
- @return void
- */
-/*
-void TestMobi::TestProteinModels(string output, int i) {
-
-	// --------------------------------------------------
-	// 1. Initialization
-	// --------------------------------------------------
-	ifstream inputFile(output.c_str());
-	ProteinModels* protein_models = new ProteinModels();
-	protein_models->setVerbose();
-	PdbLoader pl(inputFile);
-	pl.setVerbose();
-
-	if (i == 0) {
-		// --------------------------------------------------
-		// 2. Load
-		// --------------------------------------------------
-		protein_models->load(pl);
-
-		// --------------------------------------------------
-		// 3. Save
-		// --------------------------------------------------
-		protein_models->save(output);
-	}
-	if (i == 1) {
-		// --------------------------------------------------
-		// 2. Load
-		// --------------------------------------------------
-		protein_models->loadSameModels(pl);
-
-		// --------------------------------------------------
-		// 3. Save
-		// --------------------------------------------------
-		protein_models->save(output);
-
-	}
-
-
-	if (i == 2) {
-		// --------------------------------------------------
-		// 2. Load
-		// --------------------------------------------------
-		protein_models->loadSameModels(pl);
-
-		// --------------------------------------------------
-		// 3. Save
-		// --------------------------------------------------
-		protein_models->save(output);
-
-
-		//SUPER IMPOSITION
-			unsigned int d = 0;
-
-			// ------------------------------------------------------
-			// 4. TmScore object make super imposition of each models
-			// ------------------------------------------------------
-
-			TmScore tm("./Mobi/data/TMscore", output, true);
-
-			Protein* traslata = new Protein();
-
-			for (unsigned int i = 0; i < protein_models->size() - 1; i++)
-				for (unsigned int j = i + 1; j < protein_models->size(); j++) {
-					traslata = tm.TmImpose(output + (itosDEF(i)),
-							output + (itosDEF(j)));
-					if (traslata != NULL) {
-
-						protein_models->addModels(*(traslata->getSpacer(d)));
-					} else
-						ERROR("Error in the creation of shift models.",
-								exeption);
-
-					protein_models->addModels(*(protein_models->getSpacer(j)));
-
-				}
-
-			// ------------------------------------------------------
-			// 5. save model vector that contain couple of models,
-			//    the first rototraslate, the second is the model
-			// ------------------------------------------------------
-
-			protein_models->printModels(output);
-
-	}
-
-}
-*/
diff --git a/Mobi/Tests/TestStandardDeviation.h b/Mobi/Tests/TestStandardDeviation.h
new file mode 100644
index 0000000..5e8d7c7
--- /dev/null
+++ b/Mobi/Tests/TestStandardDeviation.h
@@ -0,0 +1,220 @@
+/*
+ @file    TestProteinModels.h
+ @author  Riccardo Zanella, riccardozanella89@gmail.com
+ @version 1.0
+ */
+
+/* This file is part of Victor.
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+ You should have received a copy of the GNU General Public License
+ along with Victor. If not, see <http://www.gnu.org/licenses/>.
+ */
+
+
+#ifndef MOBI_TESTS_TESTSTANDARDDEVIATION_H_
+#define MOBI_TESTS_TESTSTANDARDDEVIATION_H_
+
+
+#include <iostream>
+#include <cppunit/TestFixture.h>
+#include <cppunit/TestAssert.h>
+#include <cppunit/TestCaller.h>
+#include <cppunit/TestSuite.h>
+#include <cppunit/TestCase.h>
+
+#include "StandardDeviation.h"
+
+using namespace std;
+using namespace Victor::Mobi;
+
+
+class TestStandardDeviation : public CppUnit::TestFixture {
+
+public:
+	TestStandardDeviation() {}
+	virtual ~TestStandardDeviation(){}
+
+
+	 static CppUnit::Test *suite() {
+		CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite(
+				"TestProteinModels");
+
+		suiteOfTests->addTest(
+				new CppUnit::TestCaller<TestStandardDeviation>(
+						"Test1 - test everage scaled distance",
+						&TestStandardDeviation::getEverage));
+
+		suiteOfTests->addTest(
+						new CppUnit::TestCaller<TestStandardDeviation>(
+								"Test2 - test standard deviation",
+								&TestStandardDeviation::getSD));
+		suiteOfTests->addTest(
+								new CppUnit::TestCaller<TestStandardDeviation>(
+										"Test3 - test standard deviation angle PHI",
+										&TestStandardDeviation::getanglePHI));
+		return suiteOfTests;
+	}
+
+	 /** @brief Setup method. */
+	void setUp() {
+	}
+	/** @brief Teardown method. */
+	void tearDown() {
+	}
+
+protected:
+	 /** @brief Test for parse/write. */
+	void getEverage() {
+
+		// --------------------------------------------------
+		// 1. Initialization
+		// --------------------------------------------------
+		unsigned int d = 0;
+
+		ifstream inputFile("/home/riccardo/mobi/1AB2_input.pdb");
+		string outputFile = "../Mobi/data/stdout";
+		PdbLoader pl(inputFile);
+		pl.setVerbose();
+		ProteinModels test;
+		test.setVerbose();
+
+		// --------------------------------------------------
+		// 2. Load
+		// --------------------------------------------------
+		test.loadSameModels(pl);
+
+		// --------------------------------------------------
+		// 2. Save
+		// --------------------------------------------------
+
+		test.save(outputFile);
+
+		// --------------------------------------------------
+		// 2. Rototranslation
+		// --------------------------------------------------
+		TmScore tm("../Mobi/data/TMscore", outputFile, true);
+
+		Protein* traslata = new Protein();
+
+		for (unsigned int i = 0; i < test.size() - 1; i++)
+			for (unsigned int j = i + 1; j < test.size(); j++) {
+				traslata = tm.TmImpose(outputFile + (itosDEF(i)),
+						outputFile + (itosDEF(j)));
+				if (traslata != NULL) {
+
+					test.addModels(*(traslata->getSpacer(d)));
+				} else
+					ERROR("Error in the creation of shift models.", exeption);
+
+				test.addModels(*(test.getSpacer(j)));
+
+			}
+
+		// --------------------------------------------------
+		// 3. everage scaled distance Test
+		// --------------------------------------------------
+
+		StandardDeviation st(test, true);
+
+		vector<double> everage = st.get_everage_distance();
+		cout << endl << "Test first 5: " << everage[0] << " " << everage[1]
+				<< " " << everage[2] << " " << everage[3] << " " << everage[4]
+				<< " " << endl;
+
+	}
+
+	void getSD() {
+
+		// --------------------------------------------------
+		// 1. Initialization
+		// --------------------------------------------------
+		unsigned int d = 0;
+
+		ifstream inputFile("/home/riccardo/mobi/1AB2_input.pdb");
+		string outputFile = "../Mobi/data/stdout";
+		PdbLoader pl(inputFile);
+		pl.setVerbose();
+		ProteinModels test;
+		test.setVerbose();
+
+		// --------------------------------------------------
+		// 2. Load
+		// --------------------------------------------------
+		test.loadSameModels(pl);
+
+		// --------------------------------------------------
+		// 2. Save
+		// --------------------------------------------------
+
+		test.save(outputFile);
+
+		// --------------------------------------------------
+		// 2. Rototranslation
+		// --------------------------------------------------
+		TmScore tm("../Mobi/data/TMscore", outputFile, true);
+
+		Protein* traslata = new Protein();
+
+		for (unsigned int i = 0; i < test.size() - 1; i++)
+			for (unsigned int j = i + 1; j < test.size(); j++) {
+				traslata = tm.TmImpose(outputFile + (itosDEF(i)),
+						outputFile + (itosDEF(j)));
+				if (traslata != NULL) {
+
+					test.addModels(*(traslata->getSpacer(d)));
+				} else
+					ERROR("Error in the creation of shift models.", exeption);
+
+				test.addModels(*(test.getSpacer(j)));
+
+			}
+		// --------------------------------------------------
+		// 3. StandardDeviation Test
+		// --------------------------------------------------
+		StandardDeviation st(test, true);
+
+		vector<double> SD = st.get_standard_deviation();
+		cout << endl << "Test first 5: " << SD[0] << " " << SD[1] << " "
+				<< SD[2] << " " << SD[3] << " " << SD[4] << " " << endl;
+
+	}
+
+	void getanglePHI() {
+
+			// --------------------------------------------------
+			// 1. Initialization
+			// --------------------------------------------------
+
+			ifstream inputFile("/home/riccardo/mobi/1AB2_input.pdb");
+			string outputFile = "../Mobi/data/stdout";
+			PdbLoader pl(inputFile);
+			pl.setVerbose();
+			ProteinModels test;
+			test.setVerbose();
+
+			// --------------------------------------------------
+			// 2. Load
+			// --------------------------------------------------
+			test.loadSameModels(pl);
+
+			// --------------------------------------------------
+			// 3. StandardDeviation Test
+			// --------------------------------------------------
+			StandardDeviation st(test, true);
+
+			vector<double> SD = st.get_StandarDev_angle_PHI();
+			cout << endl << "Test first 5: " << SD[0] << " " << SD[1] << " "
+					<< SD[2] << " " << SD[3] << " " << SD[4] << " " << endl;
+
+		}
+
+};
+
+#endif /* MOBI_TESTS_TESTSTANDARDDEVIATION_H_ */

From 551d941dab21d7eb3b0c58635a7db42b3349e593 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Wed, 12 Aug 2015 17:07:11 +0200
Subject: [PATCH 49/61] add file TestSecondaryStructure.h

---
 Mobi/Tests/TestMobi.cc              |  8 ++--
 Mobi/Tests/TestSecondaryStructure.h | 67 +++++++++++++++++++++++++++++
 2 files changed, 71 insertions(+), 4 deletions(-)
 create mode 100644 Mobi/Tests/TestSecondaryStructure.h

diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc
index a23805e..be43d6f 100644
--- a/Mobi/Tests/TestMobi.cc
+++ b/Mobi/Tests/TestMobi.cc
@@ -23,6 +23,7 @@
 
 #include <TestProteinModels.h>
 #include <TestStandardDeviation.h>
+#include <TestSecondaryStructure.h>
 
 using namespace Victor::Mobi;
 using namespace Victor::Biopool;
@@ -32,10 +33,9 @@ int main() {
 	CppUnit::TextUi::TestRunner runner;
 
 	cout << "Creating Test Suites:" << endl;
-	runner.addTest(TestProteinModels::suite());
-	runner.addTest(TestStandardDeviation::suite());
-	//runner.addTest(TestSecondaryStructure::suite());
-//	runner.addTest(TestMobiMethods::suite());
+	//runner.addTest(TestProteinModels::suite());
+	//runner.addTest(TestStandardDeviation::suite());
+	runner.addTest(TestSecondaryStructure::suite());
 
 	cout << "Running the unit tests. " << endl;
 	runner.run();
diff --git a/Mobi/Tests/TestSecondaryStructure.h b/Mobi/Tests/TestSecondaryStructure.h
new file mode 100644
index 0000000..5d4fdcb
--- /dev/null
+++ b/Mobi/Tests/TestSecondaryStructure.h
@@ -0,0 +1,67 @@
+/*
+ @file    TestSecondaryStructure.h
+ @author  Riccardo Zanella, riccardozanella89@gmail.com
+ @version 1.0
+ */
+
+/* This file is part of Victor.
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+ You should have received a copy of the GNU General Public License
+ along with Victor. If not, see <http://www.gnu.org/licenses/>.
+ */
+#ifndef MOBI_TESTS_TESTSECONDARYSTRUCTURE_H_
+#define MOBI_TESTS_TESTSECONDARYSTRUCTURE_H_
+
+
+#include <iostream>
+#include <cppunit/TestFixture.h>
+#include <cppunit/TestAssert.h>
+#include <cppunit/TestCaller.h>
+#include <cppunit/TestSuite.h>
+#include <cppunit/TestCase.h>
+
+#include "ProteinModels.h"
+
+using namespace std;
+using namespace Victor::Mobi;
+
+
+class TestSecondaryStructure : public CppUnit::TestFixture {
+
+public:
+	TestSecondaryStructure() {}
+	virtual ~TestSecondaryStructure(){}
+
+
+	 static CppUnit::Test *suite() {
+		CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite(
+				"TestSecondaryStructure");
+
+		suiteOfTests->addTest(
+				new CppUnit::TestCaller<TestSecondaryStructure>(
+						"Test1 - Test Secondary Structure",
+						&TestSecondaryStructure::testStructure));
+
+		return suiteOfTests;
+	}
+
+	 /** @brief Setup method. */
+	void setUp() {
+	}
+	/** @brief Teardown method. */
+	void tearDown() {
+	}
+
+protected:
+	 /** @brief Test for parse/write. */
+	void testStructure() {cout << "ciao" << endl;}
+
+};
+#endif /* MOBI_TESTS_TESTSECONDARYSTRUCTURE_H_ */

From 785c9861d85ed5b1f6b176bc1aa67d62b5b2943c Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Wed, 12 Aug 2015 18:10:19 +0200
Subject: [PATCH 50/61] modified path file

---
 .cproject                           |  2 +-
 Mobi/APPS/mobi.cc                   |  6 +++---
 Mobi/Sources/SecondaryStructure.cc  |  8 ++++----
 Mobi/Tests/TestSecondaryStructure.h | 10 +++++++++-
 4 files changed, 17 insertions(+), 9 deletions(-)

diff --git a/.cproject b/.cproject
index 7381f00..63da05e 100644
--- a/.cproject
+++ b/.cproject
@@ -20,7 +20,7 @@
 							<option id="cdt.managedbuild.option.gnu.cross.prefix.258209284" name="Prefix" superClass="cdt.managedbuild.option.gnu.cross.prefix"/>
 							<option id="cdt.managedbuild.option.gnu.cross.path.509310917" name="Path" superClass="cdt.managedbuild.option.gnu.cross.path"/>
 							<targetPlatform archList="all" binaryParser="org.eclipse.cdt.core.ELF" id="cdt.managedbuild.targetPlatform.gnu.cross.265199028" isAbstract="false" osList="all" superClass="cdt.managedbuild.targetPlatform.gnu.cross"/>
-							<builder arguments="-f Makefile test=1" command="make" id="cdt.managedbuild.builder.gnu.cross.926951898" incrementalBuildTarget="install" keepEnvironmentInBuildfile="false" managedBuildOn="false" name="Gnu Make Builder" parallelBuildOn="true" parallelizationNumber="optimal" superClass="cdt.managedbuild.builder.gnu.cross"/>
+							<builder arguments="-f Makefile" command="make" id="cdt.managedbuild.builder.gnu.cross.926951898" incrementalBuildTarget="install" keepEnvironmentInBuildfile="false" managedBuildOn="false" name="Gnu Make Builder" parallelBuildOn="true" parallelizationNumber="optimal" superClass="cdt.managedbuild.builder.gnu.cross"/>
 							<tool id="cdt.managedbuild.tool.gnu.cross.c.compiler.933527225" name="Cross GCC Compiler" superClass="cdt.managedbuild.tool.gnu.cross.c.compiler">
 								<inputType id="cdt.managedbuild.tool.gnu.c.compiler.input.1818742666" superClass="cdt.managedbuild.tool.gnu.c.compiler.input"/>
 							</tool>
diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index 6251984..ca0c269 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -180,9 +180,9 @@ int main(int argc, char* argv[]) {
 	// --------------------------------------------------
 
 	if (outputFile != "!") {
-		outputFile = "./Mobi/data/" + outputFile;
+		outputFile = "../Mobi/data/" + outputFile;
 	} else
-		outputFile = "./Mobi/data/stdout";
+		outputFile = "../Mobi/data/stdout";
 
 	// --------------------------------------------------
 	// 3. method that save in separated file each models
@@ -199,7 +199,7 @@ int main(int argc, char* argv[]) {
 	// 4. TmScore object make super imposition of each models
 	// ------------------------------------------------------
 
-	TmScore tm("./Mobi/data/TMscore", outputFile, v);
+	TmScore tm("../Mobi/data/TMscore", outputFile, v);
 
 	Protein* traslata = new Protein();
 
diff --git a/Mobi/Sources/SecondaryStructure.cc b/Mobi/Sources/SecondaryStructure.cc
index 1cd61ab..1ee5046 100644
--- a/Mobi/Sources/SecondaryStructure.cc
+++ b/Mobi/Sources/SecondaryStructure.cc
@@ -61,7 +61,7 @@ vector<char> SecondaryStructure::getMobilitySecondaryStructure() {
 	//create a support vector to get secondary structure
 	vector<set<char> > vettore_di_supporto(num_amino, set<char>());
 
-	//create a vector for manipulated all amiocid's chars
+	//create a vector for manipulated all amiocid's structure
 	vector<vector<char> > sec_Structures(num_amino,
 			vector<char>(models.size()));
 
@@ -69,16 +69,16 @@ vector<char> SecondaryStructure::getMobilitySecondaryStructure() {
 		cout << "\nStart procedure select secondary structure... " << endl;
 		cout << "Model size: " << models.size() << endl;
 	}
-	//per ogni modello
+	//for each models
 	for (unsigned int i = 0; i < models.size(); i++) {
 
 		models[i].setDSSP(false);
 		vettore_di_supporto = models[i].getDSSP();
 		//cout << "support vector size: " << vettore_di_supporto.size() << endl;
 
-		//scorro il vettore di set
+		//iteration on vector of set
 		for (unsigned int j = 0; j < num_amino; j++) {
-			//mi tiro fuori il primo valore char e lo metto in un vettore di char
+			//extract first char value and push it in vector char
 			sec_Structures[j][i] = (*(vettore_di_supporto[j].begin()));
 
 		}
diff --git a/Mobi/Tests/TestSecondaryStructure.h b/Mobi/Tests/TestSecondaryStructure.h
index 5d4fdcb..679c242 100644
--- a/Mobi/Tests/TestSecondaryStructure.h
+++ b/Mobi/Tests/TestSecondaryStructure.h
@@ -61,7 +61,15 @@ class TestSecondaryStructure : public CppUnit::TestFixture {
 
 protected:
 	 /** @brief Test for parse/write. */
-	void testStructure() {cout << "ciao" << endl;}
+	void testStructure() {
+
+
+
+
+
+
+
+	}
 
 };
 #endif /* MOBI_TESTS_TESTSECONDARYSTRUCTURE_H_ */

From 7e44e8a74ab2f70ce720307a412534053d5d8623 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Thu, 13 Aug 2015 13:39:40 +0200
Subject: [PATCH 51/61] finish test secondary structure

---
 .cproject                           |  2 +-
 .settings/language.settings.xml     |  2 +-
 Mobi/Sources/SecondaryStructure.cc  | 67 ++++++++++++++++++-----------
 Mobi/Sources/SecondaryStructure.h   |  1 +
 Mobi/Tests/TestSecondaryStructure.h | 37 ++++++++++++++++
 5 files changed, 82 insertions(+), 27 deletions(-)

diff --git a/.cproject b/.cproject
index 63da05e..7381f00 100644
--- a/.cproject
+++ b/.cproject
@@ -20,7 +20,7 @@
 							<option id="cdt.managedbuild.option.gnu.cross.prefix.258209284" name="Prefix" superClass="cdt.managedbuild.option.gnu.cross.prefix"/>
 							<option id="cdt.managedbuild.option.gnu.cross.path.509310917" name="Path" superClass="cdt.managedbuild.option.gnu.cross.path"/>
 							<targetPlatform archList="all" binaryParser="org.eclipse.cdt.core.ELF" id="cdt.managedbuild.targetPlatform.gnu.cross.265199028" isAbstract="false" osList="all" superClass="cdt.managedbuild.targetPlatform.gnu.cross"/>
-							<builder arguments="-f Makefile" command="make" id="cdt.managedbuild.builder.gnu.cross.926951898" incrementalBuildTarget="install" keepEnvironmentInBuildfile="false" managedBuildOn="false" name="Gnu Make Builder" parallelBuildOn="true" parallelizationNumber="optimal" superClass="cdt.managedbuild.builder.gnu.cross"/>
+							<builder arguments="-f Makefile test=1" command="make" id="cdt.managedbuild.builder.gnu.cross.926951898" incrementalBuildTarget="install" keepEnvironmentInBuildfile="false" managedBuildOn="false" name="Gnu Make Builder" parallelBuildOn="true" parallelizationNumber="optimal" superClass="cdt.managedbuild.builder.gnu.cross"/>
 							<tool id="cdt.managedbuild.tool.gnu.cross.c.compiler.933527225" name="Cross GCC Compiler" superClass="cdt.managedbuild.tool.gnu.cross.c.compiler">
 								<inputType id="cdt.managedbuild.tool.gnu.c.compiler.input.1818742666" superClass="cdt.managedbuild.tool.gnu.c.compiler.input"/>
 							</tool>
diff --git a/.settings/language.settings.xml b/.settings/language.settings.xml
index 9a57648..7596dc4 100644
--- a/.settings/language.settings.xml
+++ b/.settings/language.settings.xml
@@ -5,7 +5,7 @@
 			<provider copy-of="extension" id="org.eclipse.cdt.ui.UserLanguageSettingsProvider"/>
 			<provider-reference id="org.eclipse.cdt.core.ReferencedProjectsLanguageSettingsProvider" ref="shared-provider"/>
 			<provider class="org.eclipse.cdt.managedbuilder.language.settings.providers.GCCBuildCommandParser" id="org.eclipse.cdt.managedbuilder.core.GCCBuildCommandParser" keep-relative-paths="false" name="CDT GCC Build Output Parser" parameter="(gcc)|([gc]\+\+)|(clang)" prefer-non-shared="true"/>
-			<provider class="org.eclipse.cdt.internal.build.crossgcc.CrossGCCBuiltinSpecsDetector" console="false" env-hash="-1600407861120441063" id="org.eclipse.cdt.build.crossgcc.CrossGCCBuiltinSpecsDetector" keep-relative-paths="false" name="CDT Cross GCC Built-in Compiler Settings" parameter="${COMMAND} ${FLAGS} -E -P -v -dD &quot;${INPUTS}&quot;" prefer-non-shared="true">
+			<provider class="org.eclipse.cdt.internal.build.crossgcc.CrossGCCBuiltinSpecsDetector" console="false" env-hash="1323490044467186284" id="org.eclipse.cdt.build.crossgcc.CrossGCCBuiltinSpecsDetector" keep-relative-paths="false" name="CDT Cross GCC Built-in Compiler Settings" parameter="${COMMAND} ${FLAGS} -E -P -v -dD &quot;${INPUTS}&quot;" prefer-non-shared="true">
 				<language-scope id="org.eclipse.cdt.core.gcc"/>
 				<language-scope id="org.eclipse.cdt.core.g++"/>
 			</provider>
diff --git a/Mobi/Sources/SecondaryStructure.cc b/Mobi/Sources/SecondaryStructure.cc
index 1ee5046..ae4ee70 100644
--- a/Mobi/Sources/SecondaryStructure.cc
+++ b/Mobi/Sources/SecondaryStructure.cc
@@ -45,6 +45,45 @@ SecondaryStructure::SecondaryStructure(const ProteinModels& modelli,
 SecondaryStructure::~SecondaryStructure() {
 }
 
+vector< vector<char> > SecondaryStructure::getSecStructFromModels(){
+
+	unsigned int num_amino = 0;
+		if (models.size() != 0)
+			num_amino = models[0].sizeAmino();
+		else
+			ERROR("Nothing models in the protein, remember load models.", exception);
+
+		//create a support vector to get secondary structure
+		vector<set<char> > vettore_di_supporto(num_amino, set<char>());
+
+		//create a vector for manipulated all amiocid's structure
+		vector< vector<char> > sec_Structures(num_amino,
+				vector<char>(models.size()));
+
+		if (verbose) {
+			cout << "\nStart procedure select secondary structure... " << endl;
+			cout << "Model size: " << models.size() << endl;
+		}
+		//for each models
+		for (unsigned int i = 0; i < models.size(); i++) {
+
+			models[i].setDSSP(false);
+			vettore_di_supporto = models[i].getDSSP();
+			//cout << "support vector size: " << vettore_di_supporto.size() << endl;
+
+			//iteration on vector of set
+			for (unsigned int j = 0; j < num_amino; j++) {
+				//extract first char value and push it in vector char
+				sec_Structures[j][i] = (*(vettore_di_supporto[j].begin()));
+
+			}
+
+		}
+
+return sec_Structures;
+
+}
+
 /**
  * get the mobility analyzing secondary structures
  * @return vector<char> , return vector of mobility from Secondary Structure
@@ -52,38 +91,16 @@ SecondaryStructure::~SecondaryStructure() {
 vector<char> SecondaryStructure::getMobilitySecondaryStructure() {
 
 	mobility.clear();
+	vector< vector<char> > sec_Structures;
+
 	unsigned int num_amino = 0;
 	if (models.size() != 0)
 		num_amino = models[0].sizeAmino();
 	else
 		ERROR("Nothing models in the protein, remember load models.", exception);
 
-	//create a support vector to get secondary structure
-	vector<set<char> > vettore_di_supporto(num_amino, set<char>());
-
-	//create a vector for manipulated all amiocid's structure
-	vector<vector<char> > sec_Structures(num_amino,
-			vector<char>(models.size()));
-
-	if (verbose) {
-		cout << "\nStart procedure select secondary structure... " << endl;
-		cout << "Model size: " << models.size() << endl;
-	}
-	//for each models
-	for (unsigned int i = 0; i < models.size(); i++) {
-
-		models[i].setDSSP(false);
-		vettore_di_supporto = models[i].getDSSP();
-		//cout << "support vector size: " << vettore_di_supporto.size() << endl;
-
-		//iteration on vector of set
-		for (unsigned int j = 0; j < num_amino; j++) {
-			//extract first char value and push it in vector char
-			sec_Structures[j][i] = (*(vettore_di_supporto[j].begin()));
 
-		}
-
-	}
+	sec_Structures = getSecStructFromModels();
 
 	char test;
 	bool flag;
diff --git a/Mobi/Sources/SecondaryStructure.h b/Mobi/Sources/SecondaryStructure.h
index 4d3b7bd..813c082 100644
--- a/Mobi/Sources/SecondaryStructure.h
+++ b/Mobi/Sources/SecondaryStructure.h
@@ -42,6 +42,7 @@ class SecondaryStructure {
 	virtual ~SecondaryStructure();
 
 	// PREDICATES:
+	vector< vector<char> >getSecStructFromModels();
 	vector<char> getMobilitySecondaryStructure();
 
 private:
diff --git a/Mobi/Tests/TestSecondaryStructure.h b/Mobi/Tests/TestSecondaryStructure.h
index 679c242..f6005bd 100644
--- a/Mobi/Tests/TestSecondaryStructure.h
+++ b/Mobi/Tests/TestSecondaryStructure.h
@@ -28,6 +28,7 @@
 #include <cppunit/TestCase.h>
 
 #include "ProteinModels.h"
+#include "SecondaryStructure.h"
 
 using namespace std;
 using namespace Victor::Mobi;
@@ -63,11 +64,47 @@ class TestSecondaryStructure : public CppUnit::TestFixture {
 	 /** @brief Test for parse/write. */
 	void testStructure() {
 
+		// --------------------------------------------------
+		// 1. Initialization
+		// --------------------------------------------------
 
+		ifstream inputFile("/home/riccardo/mobi/1AB2_input.pdb");
+		PdbLoader pl(inputFile);
+		pl.setVerbose();
+		ProteinModels test;
+		test.setVerbose();
 
+		// --------------------------------------------------
+		// 2. Load
+		// --------------------------------------------------
+		test.loadSameModels(pl);
 
+		// --------------------------------------------------
+		// 3. Secondary Structure
+		// --------------------------------------------------
 
+		SecondaryStructure sstr(test, true);
 
+		vector< vector<char> > sec_structures;
+		sec_structures = sstr.getSecStructFromModels();
+
+		vector<char> MOB;
+			MOB = sstr.getMobilitySecondaryStructure();
+
+
+		// ----------------------------------------------------
+		// 4. Print vector o secondary structure for amino acid
+		// ----------------------------------------------------
+			cout << "\nSECONDARY STRUCTURE" << endl;
+			for (unsigned int i=0; i<109 ; i++){
+				cout << "Print secondary structure amino acid number #" << i << endl;
+				for (unsigned int j = 0; j < test.original_models.size(); j++)
+					cout << sec_structures[i][j] << endl;
+
+			cout << "Final valutation of amino acid #" << i << " is " << MOB[i] <<endl;
+
+			}
+			cout << "\n" << endl;
 
 	}
 

From 64521a0f925daf4599178ee687d1f53ab463825f Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Thu, 13 Aug 2015 15:43:11 +0200
Subject: [PATCH 52/61] Finish test

---
 Mobi/Sources/MobiSaver.cc           | 4 ++--
 Mobi/Tests/Makefile                 | 2 +-
 Mobi/Tests/TestMobi.cc              | 7 +++++--
 Mobi/Tests/TestProteinModels.h      | 8 ++++----
 Mobi/Tests/TestSecondaryStructure.h | 2 +-
 5 files changed, 13 insertions(+), 10 deletions(-)

diff --git a/Mobi/Sources/MobiSaver.cc b/Mobi/Sources/MobiSaver.cc
index 3d0ad9c..79a23b7 100644
--- a/Mobi/Sources/MobiSaver.cc
+++ b/Mobi/Sources/MobiSaver.cc
@@ -294,8 +294,8 @@ void MobiSaver::mob_eveScalD_filtSecS(vector<double> everageDistance,
 	vector<double>::iterator everage = everageDistance.begin();
 	vector<char>::iterator secStruct = mobSecS.begin();
 
-	//facciamo che se la media è fissa resta fisso a prescindere, se è mobile resta mobile se la struttura secondaria dice che è mobile
-	//altrimenti diventa fisso
+	//If average is fix stay fix, if average is mobile and DSSP is mobile then change
+	//to fix
 	while (everage != everageDistance.end() || secStruct != mobSecS.end()) {
 
 		if (*(everage) < ScalD && *(secStruct) != '.')
diff --git a/Mobi/Tests/Makefile b/Mobi/Tests/Makefile
index 84d4aa5..52cf192 100644
--- a/Mobi/Tests/Makefile
+++ b/Mobi/Tests/Makefile
@@ -26,7 +26,7 @@ INC_PATH = -I. -I../../tools/ -I../../Biopool/Sources -I../../Mobi/Sources
 # Objects and headers
 #
 
-SOURCES =  TestMobi.cc TestProteinModels.h TestStandardDeviation.h
+SOURCES =  TestMobi.cc TestProteinModels.h TestStandardDeviation.h TestSaver.h
 
 OBJECTS =  $(SOURCES:.cpp=.o)
 
diff --git a/Mobi/Tests/TestMobi.cc b/Mobi/Tests/TestMobi.cc
index be43d6f..408bad7 100644
--- a/Mobi/Tests/TestMobi.cc
+++ b/Mobi/Tests/TestMobi.cc
@@ -24,6 +24,8 @@
 #include <TestProteinModels.h>
 #include <TestStandardDeviation.h>
 #include <TestSecondaryStructure.h>
+#include <TestSaver.h>
+
 
 using namespace Victor::Mobi;
 using namespace Victor::Biopool;
@@ -33,9 +35,10 @@ int main() {
 	CppUnit::TextUi::TestRunner runner;
 
 	cout << "Creating Test Suites:" << endl;
-	//runner.addTest(TestProteinModels::suite());
-	//runner.addTest(TestStandardDeviation::suite());
+	runner.addTest(TestProteinModels::suite());
+	runner.addTest(TestStandardDeviation::suite());
 	runner.addTest(TestSecondaryStructure::suite());
+	runner.addTest(TestSaver::suite());
 
 	cout << "Running the unit tests. " << endl;
 	runner.run();
diff --git a/Mobi/Tests/TestProteinModels.h b/Mobi/Tests/TestProteinModels.h
index 655c857..4b3ae74 100644
--- a/Mobi/Tests/TestProteinModels.h
+++ b/Mobi/Tests/TestProteinModels.h
@@ -73,7 +73,7 @@ class TestProteinModels : public CppUnit::TestFixture {
 	}
 
 protected:
-	 /** @brief Test for parse/write. */
+	 /** @brief Test load */
 	void testPopulation() {
 
 		// --------------------------------------------------
@@ -99,7 +99,7 @@ class TestProteinModels : public CppUnit::TestFixture {
 		CPPUNIT_ASSERT(pl.getMaxModels() == test.original_models.size());
 
 	}
-
+	 /** @brief Test aminoSequence */
 	void aminoSequence() {
 
 		// --------------------------------------------------
@@ -133,7 +133,7 @@ class TestProteinModels : public CppUnit::TestFixture {
 		CPPUNIT_ASSERT(aminoaced_sequence == amino);
 
 	}
-
+	/** @brief Test function of TmScore */
 	void rototraslated() {
 
 		// --------------------------------------------------
@@ -192,7 +192,7 @@ class TestProteinModels : public CppUnit::TestFixture {
 		CPPUNIT_ASSERT(test_model_size == test.models.size());
 
 	}
-
+	/** @brief Test function printmodels */
 	void printModels() {
 
 		// --------------------------------------------------
diff --git a/Mobi/Tests/TestSecondaryStructure.h b/Mobi/Tests/TestSecondaryStructure.h
index f6005bd..e4e824b 100644
--- a/Mobi/Tests/TestSecondaryStructure.h
+++ b/Mobi/Tests/TestSecondaryStructure.h
@@ -61,7 +61,7 @@ class TestSecondaryStructure : public CppUnit::TestFixture {
 	}
 
 protected:
-	 /** @brief Test for parse/write. */
+	 /** @brief Test Secondary Structure */
 	void testStructure() {
 
 		// --------------------------------------------------

From f6533faf8cb97e5f33636950830552580939163e Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Thu, 13 Aug 2015 15:44:27 +0200
Subject: [PATCH 53/61] add TestSaver..h and finish test

---
 Mobi/Tests/TestSaver.h | 253 +++++++++++++++++++++++++++++++++++++++++
 1 file changed, 253 insertions(+)
 create mode 100644 Mobi/Tests/TestSaver.h

diff --git a/Mobi/Tests/TestSaver.h b/Mobi/Tests/TestSaver.h
new file mode 100644
index 0000000..8b5324d
--- /dev/null
+++ b/Mobi/Tests/TestSaver.h
@@ -0,0 +1,253 @@
+/*
+ @file    TestSaver.h
+ @author  Riccardo Zanella, riccardozanella89@gmail.com
+ @version 1.0
+ */
+
+/* This file is part of Victor.
+ Victor is free software: you can redistribute it and/or modify
+ it under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+ Victor is distributed in the hope that it will be useful,
+ but WITHOUT ANY WARRANTY; without even the implied warranty of
+ MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+ GNU General Public License for more details.
+ You should have received a copy of the GNU General Public License
+ along with Victor. If not, see <http://www.gnu.org/licenses/>.
+ */
+
+#ifndef MOBI_TESTS_TESTSAVER_H_
+#define MOBI_TESTS_TESTSAVER_H_
+
+#include <iostream>
+#include <cppunit/TestFixture.h>
+#include <cppunit/TestAssert.h>
+#include <cppunit/TestCaller.h>
+#include <cppunit/TestSuite.h>
+#include <cppunit/TestCase.h>
+
+#include "ProteinModels.h"
+#include "StandardDeviation.h"
+#include "MobiSaver.h"
+
+using namespace std;
+using namespace Victor::Mobi;
+
+
+class TestSaver : public CppUnit::TestFixture {
+
+public:
+	TestSaver() {}
+	virtual ~TestSaver(){}
+
+
+	 static CppUnit::Test *suite() {
+		CppUnit::TestSuite *suiteOfTests = new CppUnit::TestSuite(
+				"TestSaver");
+
+		suiteOfTests->addTest(
+				new CppUnit::TestCaller<TestSaver>(
+						"Test1 - Test mask average filtered with DSSP",
+						&TestSaver::testFilterDSSP));
+
+		suiteOfTests->addTest(
+						new CppUnit::TestCaller<TestSaver>(
+								"Test2 - Test mask scaled distance filtered by logic mask",
+								&TestSaver::testFilterMask));
+		return suiteOfTests;
+	}
+
+	 /** @brief Setup method. */
+	void setUp() {
+	}
+	/** @brief Teardown method. */
+	void tearDown() {
+	}
+
+protected:
+	 /** @brief Test save mobility from average filtered by DSSP */
+	void testFilterDSSP() {
+		// --------------------------------------------------
+		// 1. Initialization
+		// --------------------------------------------------
+		unsigned int d = 0;
+		const string OUTPDB = "ResultMobi.pdb";
+		ifstream inputFile("/home/riccardo/mobi/1AB2_input.pdb");
+		string outputFile = "../Mobi/data/stdout";
+		string out_pdb = outputFile + OUTPDB;
+		ofstream ofstream(out_pdb.c_str(), ofstream::app);
+		PdbLoader pl(inputFile);
+		pl.setVerbose();
+		ProteinModels test;
+		test.setVerbose();
+		// --------------------------------------------------
+		// 2. Load
+		// --------------------------------------------------
+		test.loadSameModels(pl);
+		// --------------------------------------------------
+		// 3. Save
+		// --------------------------------------------------
+		test.save(outputFile);
+		// --------------------------------------------------
+		// 4. Rototraslation
+		// --------------------------------------------------
+		TmScore tm("../Mobi/data/TMscore", outputFile, true);
+
+		Protein* traslata = new Protein();
+
+		for (unsigned int i = 0; i < test.size() - 1; i++)
+			for (unsigned int j = i + 1; j < test.size(); j++) {
+				traslata = tm.TmImpose(outputFile + (itosDEF(i)),
+						outputFile + (itosDEF(j)));
+				if (traslata != NULL) {
+
+					test.addModels(*(traslata->getSpacer(d)));
+				} else
+					ERROR("Error in the creation of shift models.", exeption);
+
+				test.addModels(*(test.getSpacer(j)));
+
+			}
+
+		// --------------------------------------------------
+		// 5. Calculate average
+		// --------------------------------------------------
+		MobiSaver saver(test, outputFile, ofstream, true);
+
+		StandardDeviation std(test, true);
+		vector<double> ever;
+		ever = std.get_everage_distance();
+
+		// --------------------------------------------------
+		// 6. save everage
+		// --------------------------------------------------
+		saver.mob_eveScalD(ever);
+
+		// --------------------------------------------------
+		// 7. Calculate secondary structure
+		// --------------------------------------------------
+		SecondaryStructure sstr(test, true);
+
+		vector<char> MOB;
+		MOB = sstr.getMobilitySecondaryStructure();
+
+		// --------------------------------------------------
+		// 8. save secondary structure
+		// --------------------------------------------------
+
+		saver.mob_SecS(MOB);
+
+		// --------------------------------------------------
+		// 9. save mobility filtered
+		// --------------------------------------------------
+
+		saver.mob_eveScalD_filtSecS(ever, MOB);
+
+		// --------------------------------------------------
+		// 9. remove trash
+		// --------------------------------------------------
+
+		test.remove(outputFile);
+		remove(out_pdb.c_str());
+		string trash = outputFile + "TMScore.pdb_atm";
+		remove(trash.c_str());
+
+	}
+
+
+	 /** @brief Test save mobility from standard deviation filtered whith logic mask */
+	void testFilterMask() {
+			// --------------------------------------------------
+			// 1. Initialization
+			// --------------------------------------------------
+			unsigned int d = 0;
+			const string OUTPDB = "ResultMobi.pdb";
+			ifstream inputFile("/home/riccardo/mobi/1AB2_input.pdb");
+			string outputFile = "../Mobi/data/stdout";
+			string out_pdb = outputFile + OUTPDB;
+			ofstream ofstream(out_pdb.c_str(), ofstream::app);
+			PdbLoader pl(inputFile);
+			pl.setVerbose();
+			ProteinModels test;
+			test.setVerbose();
+			// --------------------------------------------------
+			// 2. Load
+			// --------------------------------------------------
+			test.loadSameModels(pl);
+			// --------------------------------------------------
+			// 3. Save
+			// --------------------------------------------------
+			test.save(outputFile);
+			// --------------------------------------------------
+			// 4. Rototraslation
+			// --------------------------------------------------
+			TmScore tm("../Mobi/data/TMscore", outputFile, true);
+
+			Protein* traslata = new Protein();
+
+			for (unsigned int i = 0; i < test.size() - 1; i++)
+				for (unsigned int j = i + 1; j < test.size(); j++) {
+					traslata = tm.TmImpose(outputFile + (itosDEF(i)),
+							outputFile + (itosDEF(j)));
+					if (traslata != NULL) {
+
+						test.addModels(*(traslata->getSpacer(d)));
+					} else
+						ERROR("Error in the creation of shift models.", exeption);
+
+					test.addModels(*(test.getSpacer(j)));
+
+				}
+
+			// --------------------------------------------------
+			// 5. Calculate average
+			// --------------------------------------------------
+			MobiSaver saver(test, outputFile, ofstream, true);
+
+			StandardDeviation std(test, true);
+
+			vector<double> SD;
+			SD = std.get_standard_deviation();
+
+
+			// --------------------------------------------------
+			// 6. save standard deviation
+			// --------------------------------------------------
+			saver.mob_stanD(SD);
+
+		// --------------------------------------------------
+		// 7. save mobility filtered with logic mask
+		//	0 = fixed
+		//  1 = mobile
+		//
+		//			1011   »   1111
+		//			1101   »   1111
+		//			10011  »  11111
+		//			11001  »  11111
+		//			01010  »  00000
+		//			00100  »  00000
+		//			001100 » 000000
+		//
+		// ---------------------------------------------------
+
+			saver.mob_stanD_withMask(SD);
+
+			// --------------------------------------------------
+			// 9. remove trash
+			// --------------------------------------------------
+
+			test.remove(outputFile);
+			remove(out_pdb.c_str());
+			string trash = outputFile + "TMScore.pdb_atm";
+			remove(trash.c_str());
+
+		}
+
+
+
+};
+
+
+
+#endif /* MOBI_TESTS_TESTSAVER_H_ */

From 0d9953dcc25e480ab3ce9bc83fdaea698591b0b1 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Thu, 13 Aug 2015 16:03:47 +0200
Subject: [PATCH 54/61] finish project

---
 .cproject                    |   2 +-
 Mobi/APPS/mobi.o             | Bin 40112 -> 40112 bytes
 Mobi/Sources/ProteinModels.o | Bin 71752 -> 71752 bytes
 Mobi/readme                  |  27 ++++++++++++++-------------
 4 files changed, 15 insertions(+), 14 deletions(-)

diff --git a/.cproject b/.cproject
index 7381f00..63da05e 100644
--- a/.cproject
+++ b/.cproject
@@ -20,7 +20,7 @@
 							<option id="cdt.managedbuild.option.gnu.cross.prefix.258209284" name="Prefix" superClass="cdt.managedbuild.option.gnu.cross.prefix"/>
 							<option id="cdt.managedbuild.option.gnu.cross.path.509310917" name="Path" superClass="cdt.managedbuild.option.gnu.cross.path"/>
 							<targetPlatform archList="all" binaryParser="org.eclipse.cdt.core.ELF" id="cdt.managedbuild.targetPlatform.gnu.cross.265199028" isAbstract="false" osList="all" superClass="cdt.managedbuild.targetPlatform.gnu.cross"/>
-							<builder arguments="-f Makefile test=1" command="make" id="cdt.managedbuild.builder.gnu.cross.926951898" incrementalBuildTarget="install" keepEnvironmentInBuildfile="false" managedBuildOn="false" name="Gnu Make Builder" parallelBuildOn="true" parallelizationNumber="optimal" superClass="cdt.managedbuild.builder.gnu.cross"/>
+							<builder arguments="-f Makefile" command="make" id="cdt.managedbuild.builder.gnu.cross.926951898" incrementalBuildTarget="install" keepEnvironmentInBuildfile="false" managedBuildOn="false" name="Gnu Make Builder" parallelBuildOn="true" parallelizationNumber="optimal" superClass="cdt.managedbuild.builder.gnu.cross"/>
 							<tool id="cdt.managedbuild.tool.gnu.cross.c.compiler.933527225" name="Cross GCC Compiler" superClass="cdt.managedbuild.tool.gnu.cross.c.compiler">
 								<inputType id="cdt.managedbuild.tool.gnu.c.compiler.input.1818742666" superClass="cdt.managedbuild.tool.gnu.c.compiler.input"/>
 							</tool>
diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
index 57c4c239050e26e93138c340c44ae811f0822a8e..cc0e2ed3f4e58870ba9e6caa2dbdff9b2088a000 100644
GIT binary patch
delta 103
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v_oy&1GBE7o-5e%vrOh~T^F*ih4vaaQ9h<|M7$Y{%Y>j7QY~1{_d%FMtzl|am

delta 100
zcmdn6lW7AG8M4Xi`{pNQ>Zc@@B<eHhA#sXJQu0en7$yg^>29uNJ1HQ*^MU~gJbL%2
tFfcMO?BdxRCT^w8*tdD2(|QNStj&(i;Y^I-n`gGhvoY3f{@J}<004U6A%Oq@

diff --git a/Mobi/Sources/ProteinModels.o b/Mobi/Sources/ProteinModels.o
index 323c73dc384cd2af358bca3174a2868b3072b818..7c90fa396a596ceb374a7a9c275c25fc8fff65e2 100644
GIT binary patch
delta 103
zcmX@Hf#t*omJN@Y87($HVcx8^SzSekaq?kpqs^_Vj?A0Q^sCtIJo3vGa!Zpl6jJgP
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zN-`DlQWeTd^D`Ba6N@r|IMrUkGp{(cD6=>@Q=v3Zp)4^czbI89IX}0cD783Wp`<8L
O!AK!hVe>n)sD}VOo=i0W

diff --git a/Mobi/readme b/Mobi/readme
index aa884f6..c95f0d2 100644
--- a/Mobi/readme
+++ b/Mobi/readme
@@ -2,18 +2,18 @@
 						  MOBI
 
 
-Software Mobi load file pdb. The pdb file must be created with NMR technology. Mobi can calculate
+Mobi software allows to load pdb file. Pdb file must be created with NMR technology. Mobi can calculate
 amino acid's residue mobility inside protein.
-The software can load the pdb file in its entirety (all models of protein), or in any models.
-The user can choose the chain to load, the default is firdt chain of pdb file.
-Different metrics evaluate mobility part of the protein for exemple the everage scale distance,
+The software can load the pdb file entirely (all models of protein), or just partly (only selected models).
+The user can choose the chain to load, the default is first chain of pdb file.
+Different metrics evaluate mobility part of the protein for example the everage scale distance,
 standard deviation, scale distance, the evaluation of angle phi, psi, and various logic mask.
 
-Mobi is a Victor folder, inside are located subfolder APP which include mobi.cc file that 
-include main.
-After compiling project the exeguible file are located in /Victor/bin/ with mobi's name.
+Mobi is a Victor folder, inside are located subfolder APP which includes mobi.cc file that 
+includes main.
+After compiling project the executable files are located in /Victor/bin/ with mobi's name.
 For execute Mobi launch with no option or with option -h. 
-A help menù will appear that show how to use the program. 
+A help menu will appear showing how to use the program. 
 The output file will locate in directory /Victor/Mobi/data. 
 Remind that the output file must be deleted if you want rerun the program, 
 if this were not the case, the output file could be added in append to the file.
@@ -22,10 +22,11 @@ if this were not the case, the output file could be added in append to the file.
 Requirement: 
 Input: NMR pdb file.
 
-Execution: ./mobi pathpdbfile (opzion addition)
+Execution: ./mobi pathpdbfile (options in addition)
 
-Option:		-o	namefile for output to personalize the name of the output file, default is “stdout”
-		-v	set verbose of all object
+Option:		
+		-o	namefile for output to personalize the name of the output file, default is “stdout”
+		-v	set verbosity of all object
 		-c 	set chain of protein to read (default is first chain)
 		-m	to load a restricted numbers of models and not all present models in the file
 		-s	modify value of mobility of average scaled distance
@@ -34,5 +35,5 @@ Option:		-o	namefile for output to personalize the name of the output file, defa
 		-x	modify value of mobility of angle PSI
 		-h	help
 
-Output: Output is two file, the first will be fasta file with different mobility metrics, the second will be 
-	pdb file with save models and the last column changed with standard deviation and average scaled distance * 100.
+Output: Output is two files, the first will be a fasta file with different mobility metrics, the second will be 
+		a pdb file with save models and the last column changed with standard deviation and average scaled distance * 100.

From 407b38fc97600f9a963825d6ed0fadd768dfbfd3 Mon Sep 17 00:00:00 2001
From: ozymandias89 <ozymandias89@users.noreply.github.com>
Date: Thu, 13 Aug 2015 16:13:40 +0200
Subject: [PATCH 55/61] remove object file

---
 Mobi/Sources/ProteinModels.o | Bin 71752 -> 0 bytes
 1 file changed, 0 insertions(+), 0 deletions(-)
 delete mode 100644 Mobi/Sources/ProteinModels.o

diff --git a/Mobi/Sources/ProteinModels.o b/Mobi/Sources/ProteinModels.o
deleted file mode 100644
index 7c90fa396a596ceb374a7a9c275c25fc8fff65e2..0000000000000000000000000000000000000000
GIT binary patch
literal 0
HcmV?d00001

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From 2f9a4cf864738c77eed67e3df554982ba4f7d296 Mon Sep 17 00:00:00 2001
From: ozymandias89 <ozymandias89@users.noreply.github.com>
Date: Thu, 13 Aug 2015 16:13:58 +0200
Subject: [PATCH 56/61] remove object file

---
 Mobi/Sources/TmScore.o | Bin 32424 -> 0 bytes
 1 file changed, 0 insertions(+), 0 deletions(-)
 delete mode 100644 Mobi/Sources/TmScore.o

diff --git a/Mobi/Sources/TmScore.o b/Mobi/Sources/TmScore.o
deleted file mode 100644
index 5b7495f22a54511689221f8bd124a5aae28bf8d7..0000000000000000000000000000000000000000
GIT binary patch
literal 0
HcmV?d00001

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From a028f0ed9b8fe5ae4ea090e4e0c3b2623f593774 Mon Sep 17 00:00:00 2001
From: ozymandias89 <ozymandias89@users.noreply.github.com>
Date: Thu, 13 Aug 2015 16:14:29 +0200
Subject: [PATCH 57/61] delete object main

---
 Mobi/APPS/mobi.o | Bin 40112 -> 0 bytes
 1 file changed, 0 insertions(+), 0 deletions(-)
 delete mode 100644 Mobi/APPS/mobi.o

diff --git a/Mobi/APPS/mobi.o b/Mobi/APPS/mobi.o
deleted file mode 100644
index cc0e2ed3f4e58870ba9e6caa2dbdff9b2088a000..0000000000000000000000000000000000000000
GIT binary patch
literal 0
HcmV?d00001

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From a6aa97bab7cb30e3d26679257acdeffa6bd44677 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Thu, 13 Aug 2015 16:16:04 +0200
Subject: [PATCH 58/61] finish project

---
 Mobi/readme | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/Mobi/readme b/Mobi/readme
index c95f0d2..4e7b213 100644
--- a/Mobi/readme
+++ b/Mobi/readme
@@ -36,4 +36,5 @@ Option:
 		-h	help
 
 Output: Output is two files, the first will be a fasta file with different mobility metrics, the second will be 
-		a pdb file with save models and the last column changed with standard deviation and average scaled distance * 100.
+	a pdb file with save models and the last column changed with standard deviation and average scaled 
+		distance * 100.

From 464836d30e119429630aa07c8af33ee9964523b7 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Thu, 13 Aug 2015 16:34:40 +0200
Subject: [PATCH 59/61] finish

---
 Mobi/readme | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/Mobi/readme b/Mobi/readme
index 4e7b213..7b5930f 100644
--- a/Mobi/readme
+++ b/Mobi/readme
@@ -37,4 +37,4 @@ Option:
 
 Output: Output is two files, the first will be a fasta file with different mobility metrics, the second will be 
 	a pdb file with save models and the last column changed with standard deviation and average scaled 
-		distance * 100.
+		distance x 100.

From 052eaa7608b153ad9d381d3e4eb307139e189205 Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Thu, 13 Aug 2015 17:09:37 +0200
Subject: [PATCH 60/61] final release

---
 Mobi/readme | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/Mobi/readme b/Mobi/readme
index 7b5930f..ada832e 100644
--- a/Mobi/readme
+++ b/Mobi/readme
@@ -36,5 +36,5 @@ Option:
 		-h	help
 
 Output: Output is two files, the first will be a fasta file with different mobility metrics, the second will be 
-	a pdb file with save models and the last column changed with standard deviation and average scaled 
+	a pdb file with save models and the last columns changed with standard deviation and average scaled 
 		distance x 100.

From e53d4f5b4401d63a3ea6b7457b4f6f9c2e38402a Mon Sep 17 00:00:00 2001
From: riccardo zanella <riccardozanella89@gmail.com>
Date: Fri, 14 Aug 2015 12:32:06 +0200
Subject: [PATCH 61/61] ok

---
 Mobi/APPS/mobi.cc                  | 2 +-
 Mobi/Sources/SecondaryStructure.cc | 7 +++++++
 2 files changed, 8 insertions(+), 1 deletion(-)

diff --git a/Mobi/APPS/mobi.cc b/Mobi/APPS/mobi.cc
index ca0c269..3380b93 100644
--- a/Mobi/APPS/mobi.cc
+++ b/Mobi/APPS/mobi.cc
@@ -229,7 +229,7 @@ int main(int argc, char* argv[]) {
 	ever = std.get_everage_distance();
 
 	//print vector
-//	cout << "EVERAGE" << endl;
+//	cout << "AVERAGE" << endl;
 //		for (vector<double>::iterator everage = ever.begin(); everage != ever.end();
 //				everage++) {
 //			cout << *everage << endl;
diff --git a/Mobi/Sources/SecondaryStructure.cc b/Mobi/Sources/SecondaryStructure.cc
index ae4ee70..97149b4 100644
--- a/Mobi/Sources/SecondaryStructure.cc
+++ b/Mobi/Sources/SecondaryStructure.cc
@@ -45,6 +45,13 @@ SecondaryStructure::SecondaryStructure(const ProteinModels& modelli,
 SecondaryStructure::~SecondaryStructure() {
 }
 
+/**
+ * get the secondary structure. Return is a vector of vector of char where vector[i][j]
+ * 'i' is a specific amino acid
+ * 'j' is a specific model
+ * and char is a letter of secondary structure of amino acid 'i' and models 'j'
+ * @return vector< vector<char> >  , return vector of vector of char.
+ */
 vector< vector<char> > SecondaryStructure::getSecStructFromModels(){
 
 	unsigned int num_amino = 0;