changeset 0:2063e965531c draft

"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/fpocket/ commit 3fd527d39458527d9ab82562db2d3d6af29f7f51"
author bgruening
date Mon, 12 Aug 2019 13:27:10 -0400
parents
children 909c8763f127
files fpocket.xml test-data/2brc.pdb test-data/2brc_info.txt test-data/custom_pockets.pqr test-data/pocket1_atm.pdb test-data/pocket2_vert.pqr
diffstat 6 files changed, 2933 insertions(+), 0 deletions(-) [+]
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/fpocket.xml	Mon Aug 12 13:27:10 2019 -0400
@@ -0,0 +1,138 @@
+<tool id="fpocket" name="fpocket" version="0.1.0">
+    <description>- find potential binding sites in protein structures</description>
+    <requirements>
+        <requirement type="package" version="3.1.3">fpocket</requirement>
+    </requirements>
+    <command detect_errors="exit_code"><![CDATA[
+
+        ln -s '$input' ./input.pdb &&
+        fpocket
+            -f ./input.pdb
+            #if $inp.pocket_type == 'channel':
+                -m 2.8 -M 5.5 -i 30
+            #elif $inp.pocket_type == 'external':
+                -m 3.5 -M 10 -i 30
+            #elif $inp.pocket_type == 'custom':
+                -m $inp.min -M $inp.max -i $inp.i -D $inp.D -C $inp.C -e $inp.e
+            #end if
+
+    ]]></command>
+    <inputs>
+        <param name="input" type="data" format="pdb" label="Input file" help="Protein structure file (PDB) to search."/>
+        <conditional name="inp">
+            <param name="pocket_type" type="select" label="Type of pocket to detect" help="Search for different kinds of pockets - or select 'custom' for more fine-grained control">
+                <option value="small_mol">Small molecule binding sites</option>
+                <option value="channel">Putative channels and small cavities</option>
+                <option value="external">Large, external pockets</option>
+                <option value="custom">Custom options (advanced)</option>
+            </param>
+            <when value="custom">
+                <param name="min" type="float" value="3" min="0" max="10" label="Minimum radius for an alpha sphere (angstroms)" help="An alpha sphere is an empty sphere in contact with 4 atoms in 3D space."/>
+                <param name="max" type="float" value="6" min="0" max="10" label="Maximum radius for an alpha sphere (angstroms)" help="An alpha sphere is an empty sphere in contact with 4 atoms in 3D space."/>
+                <param name="i" type="integer" value="35" min="20" max="50" label="Minimum number of alpha spheres a pocket must contain" help="Below this threshold pockets will not be listed in results"/>
+                <param name="D" type="float" value="2.4" min="0" max="10" label="Distance threshold for clustering algorithm (angstroms)" help="Alpha spheres may be clustered if they are separated by less than this distance"/>
+                <param name="C" type="select" value="s" label="Clustering method for grouping Voronoi vertices" help="Method for clustering alpha spheres">
+                    <option value="s">Single linkage clustering</option>
+                    <option value="m">Complete linkage clustering</option>
+                    <option value="a">Average linkage clustering</option>
+                    <option value="c">Centroid linkage clustering</option>
+                </param>
+                <param name="e" type="select" value="e" label="Distance measure for clustering">
+                    <option value="e">Euclidean distance</option>
+                    <option value="b">Manhattan distance</option>
+                </param>
+            </when>
+            <when value="small_mol"/>
+            <when value="channel"/>
+            <when value="external"/>
+        </conditional>
+        <param name="outputs" type="select" display="checkboxes" multiple="true" label="Output files">
+            <option value="atoms" selected="true">PDB files containing the atoms in contact with each pocket</option>
+            <option value="pock_verts">PQR files containing Voronoi vertices of each pocket</option>
+            <option value="all_verts">PQR file containing all Voronoi vertices found</option>
+            <option value="info" selected="true">Log file containing pocket properties</option>
+        </param>
+    </inputs>
+
+    <outputs>
+        <collection type="list" name="atoms_output" label="Atoms in contact with each pocket">
+            <discover_datasets pattern="(?P&lt;designation&gt;^pocket\d+)_atm\.pdb$" directory="input_out/pockets" ext="pdb"/>
+            <filter>"atoms" in outputs</filter>
+        </collection>
+        <collection type="list" name="pock_verts_output" label="Voronoi vertices of each pocket">
+            <discover_datasets pattern="(?P&lt;designation&gt;^pocket\d+)_vert\.pqr$" directory="input_out/pockets" ext="pqr"/>
+            <filter>"pock_verts" in outputs</filter>
+        </collection>
+        <data format="pqr" name="all_verts_output" label="All Voronoi vertices found" from_work_dir="input_out/input_pockets.pqr">
+            <filter>"all_verts" in outputs</filter>
+        </data>
+        <data format="txt" name="info_output" label="Pocket properties" from_work_dir="input_out/input_info.txt">
+            <filter>"info" in outputs</filter>
+        </data>
+    </outputs>
+
+    <tests>
+        <!-- lines_diff needed because volume estimates are calculated via a Monte Carlo method and vary with each run -->
+        <test>
+            <param name="input" ftype="pdb" value="2brc.pdb"/>
+            <param name='pocket_type' value='custom' />
+            <param name="min" value="4.0"/>
+            <param name="max" value="7.0"/>
+            <param name="i" value="20" />
+            <param name="D" value="2.0"/>
+            <param name="C" value="c" />
+            <param name="e" value="b" />
+            <param name='outputs' value='pock_verts,all_verts' />
+            <output_collection name="pock_verts_output" type="list">
+                <element name="pocket2" ftype="pqr" file="pocket2_vert.pqr" lines_diff="2"/>
+            </output_collection>
+            <output name="all_verts_output" ftype="pqr" file='custom_pockets.pqr'/>
+        </test>
+        <test>
+            <param name="input" ftype="pdb" value="2brc.pdb"/>
+            <param name='pocket_type' value='small_mol' />
+            <output_collection name="atoms_output" type="list">
+                <element name="pocket1" ftype="pdb" file="pocket1_atm.pdb" lines_diff="2"/>
+            </output_collection>
+            <output name="info_output" ftype="txt" file='2brc_info.txt' lines_diff="20"/>
+        </test>
+    </tests>
+    <help><![CDATA[
+
+Detect 'pockets' in a protein structure using the fpocket software. A potential use 
+of this tool is locating potential binding sites in a protein prior to performing 
+protein-ligand docking.
+
+To use, upload a protein structure in PDB format and select the type of pocket to 
+detect. 'Custom options' can also be selected - this exposes all internal fpocket 
+parameters. Using this option requires some knowledge of the fpocket prediction 
+algorithm. Please consult the cited publications for more details.
+
+
+-----
+
+.. class:: infomark
+
+**Input**
+
+A protein structure in PDB format.
+
+-----
+
+.. class:: infomark
+
+**Output**
+
+Some or all of the following files:
+
+- A collection of PDB files, one for each pocket, each containing the atoms bordering the pocket.
+- A collection of PQR files, one for each pocket, each containing Voronoi vertices of the pocket.
+- A single PQR file containing all Voronoi vertices for all pockets.
+- A text file listing properties of all pockets detected.
+
+    ]]></help>
+    <citations>
+        <citation type="doi">10.1186/1471-2105-10-168</citation>
+        <citation type="doi">10.1093/nar/gkq383</citation>
+    </citations>
+</tool>
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2brc.pdb	Mon Aug 12 13:27:10 2019 -0400
@@ -0,0 +1,2424 @@
+HEADER    CHAPERONE                               04-MAY-05   2BRC              
+TITLE     STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90.
+COMPND    MOL_ID: 1;                                                            
+COMPND   2 MOLECULE: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82;                   
+COMPND   3 CHAIN: A;                                                            
+COMPND   4 FRAGMENT: N-TERMINUS, RESIDUES 1-214;                                
+COMPND   5 SYNONYM: HSP90,HEAT SHOCK PROTEIN HSP90,82 KDA HEAT SHOCK PROTEIN;   
+COMPND   6 ENGINEERED: YES                                                      
+SOURCE    MOL_ID: 1;                                                            
+SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
+SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
+SOURCE   4 ORGANISM_TAXID: 4932;                                                
+SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
+SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562                                         
+KEYWDS    ATP-BINDING, CHAPERONE, HEAT SHOCK, INHIBITOR, MULTIGENE FAMILY,      
+KEYWDS   2 CHAPERONE-COMPLEX                                                    
+EXPDTA    X-RAY DIFFRACTION                                                     
+AUTHOR    S.M.ROE,L.H.PEARL,C.PRODROMOU                                         
+REVDAT   3   28-FEB-18 2BRC    1       JRNL                                     
+REVDAT   2   24-FEB-09 2BRC    1       VERSN                                    
+REVDAT   1   29-SEP-05 2BRC    0                                                
+JRNL        AUTH   K.M.CHEUNG,T.P.MATTHEWS,K.JAMES,M.G.ROWLANDS,K.J.BOXALL,     
+JRNL        AUTH 2 S.Y.SHARP,A.MALONEY,S.M.ROE,C.PRODROMOU,L.H.PEARL,           
+JRNL        AUTH 3 G.W.AHERNE,E.MCDONALD,P.WORKMAN                              
+JRNL        TITL   THE IDENTIFICATION, SYNTHESIS, PROTEIN CRYSTAL STRUCTURE AND 
+JRNL        TITL 2 IN VITRO BIOCHEMICAL EVALUATION OF A NEW 3,4-DIARYLPYRAZOLE  
+JRNL        TITL 3 CLASS OF HSP90 INHIBITORS.                                   
+JRNL        REF    BIOORG. MED. CHEM. LETT.      V.  15  3338 2005              
+JRNL        REFN                   ISSN 0960-894X                               
+JRNL        PMID   15955698                                                     
+JRNL        DOI    10.1016/J.BMCL.2005.05.046                                   
+REMARK   2                                                                      
+REMARK   2 RESOLUTION.    1.60 ANGSTROMS.                                       
+REMARK   3                                                                      
+REMARK   3 REFINEMENT.                                                          
+REMARK   3   PROGRAM     : REFMAC 5.0                                           
+REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
+REMARK   3                                                                      
+REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
+REMARK   3                                                                      
+REMARK   3  DATA USED IN REFINEMENT.                                            
+REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60                           
+REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 74.54                          
+REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
+REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.9                           
+REMARK   3   NUMBER OF REFLECTIONS             : 39187                          
+REMARK   3                                                                      
+REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
+REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
+REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
+REMARK   3   R VALUE     (WORKING + TEST SET) : 0.188                           
+REMARK   3   R VALUE            (WORKING SET) : 0.187                           
+REMARK   3   FREE R VALUE                     : 0.214                           
+REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
+REMARK   3   FREE R VALUE TEST SET COUNT      : 2067                            
+REMARK   3                                                                      
+REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
+REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
+REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 1.60                         
+REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.64                         
+REMARK   3   REFLECTION IN BIN     (WORKING SET) : 2844                         
+REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
+REMARK   3   BIN R VALUE           (WORKING SET) : 0.2260                       
+REMARK   3   BIN FREE R VALUE SET COUNT          : 159                          
+REMARK   3   BIN FREE R VALUE                    : 0.2770                       
+REMARK   3                                                                      
+REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
+REMARK   3   PROTEIN ATOMS            : 1664                                    
+REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
+REMARK   3   HETEROGEN ATOMS          : 26                                      
+REMARK   3   SOLVENT ATOMS            : 258                                     
+REMARK   3                                                                      
+REMARK   3  B VALUES.                                                           
+REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
+REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 21.14                          
+REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
+REMARK   3    B11 (A**2) : -0.40000                                             
+REMARK   3    B22 (A**2) : -0.40000                                             
+REMARK   3    B33 (A**2) : 0.79000                                              
+REMARK   3    B12 (A**2) : 0.00000                                              
+REMARK   3    B13 (A**2) : 0.00000                                              
+REMARK   3    B23 (A**2) : 0.00000                                              
+REMARK   3                                                                      
+REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
+REMARK   3   ESU BASED ON R VALUE                            (A): 0.076         
+REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.078         
+REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.053         
+REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.480         
+REMARK   3                                                                      
+REMARK   3 CORRELATION COEFFICIENTS.                                            
+REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.958                         
+REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.953                         
+REMARK   3                                                                      
+REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
+REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  1717 ; 0.016 ; 0.022       
+REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
+REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  2325 ; 1.820 ; 1.985       
+REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
+REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   213 ; 5.073 ; 3.000       
+REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):  NULL ;  NULL ;  NULL       
+REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   308 ;14.190 ;15.000       
+REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):  NULL ;  NULL ;  NULL       
+REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   270 ; 0.131 ; 0.200       
+REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  1276 ; 0.008 ; 0.020       
+REMARK   3   GENERAL PLANES OTHERS             (A):  NULL ;  NULL ;  NULL       
+REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):   865 ; 0.236 ; 0.300       
+REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
+REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
+REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
+REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):   256 ; 0.191 ; 0.500       
+REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
+REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
+REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
+REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):    39 ; 0.318 ; 0.300       
+REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
+REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):    24 ; 0.589 ; 0.500       
+REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
+REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
+REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
+REMARK   3                                                                      
+REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
+REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):  1062 ; 1.031 ; 1.500       
+REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
+REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  1716 ; 1.864 ; 2.000       
+REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
+REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):   655 ; 3.090 ; 3.000       
+REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
+REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):   609 ; 4.994 ; 4.500       
+REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
+REMARK   3   LONG RANGE B REFINED ATOMS     (A**2):  NULL ;  NULL ;  NULL       
+REMARK   3   LONG RANGE B OTHER ATOMS       (A**2):  NULL ;  NULL ;  NULL       
+REMARK   3                                                                      
+REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
+REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
+REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
+REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
+REMARK   3                                                                      
+REMARK   3  NCS RESTRAINTS STATISTICS                                           
+REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
+REMARK   3                                                                      
+REMARK   3  TLS DETAILS                                                         
+REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
+REMARK   3                                                                      
+REMARK   3  BULK SOLVENT MODELLING.                                             
+REMARK   3   METHOD USED : BABINET MODEL WITH MASK                              
+REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
+REMARK   3   VDW PROBE RADIUS   : 1.40                                          
+REMARK   3   ION PROBE RADIUS   : 0.80                                          
+REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
+REMARK   3                                                                      
+REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING   
+REMARK   3  POSITIONS.                                                          
+REMARK   4                                                                      
+REMARK   4 2BRC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
+REMARK 100                                                                      
+REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 04-MAY-05.                  
+REMARK 100 THE DEPOSITION ID IS D_1290023902.                                   
+REMARK 200                                                                      
+REMARK 200 EXPERIMENTAL DETAILS                                                 
+REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
+REMARK 200  DATE OF DATA COLLECTION        : 14-NOV-01                          
+REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
+REMARK 200  PH                             : 7.00                               
+REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
+REMARK 200                                                                      
+REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
+REMARK 200  RADIATION SOURCE               : ESRF                               
+REMARK 200  BEAMLINE                       : ID14-1                             
+REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
+REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
+REMARK 200  WAVELENGTH OR RANGE        (A) : 0.934                              
+REMARK 200  MONOCHROMATOR                  : NULL                               
+REMARK 200  OPTICS                         : NULL                               
+REMARK 200                                                                      
+REMARK 200  DETECTOR TYPE                  : CCD                                
+REMARK 200  DETECTOR MANUFACTURER          : ADSC CCD                           
+REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
+REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
+REMARK 200                                                                      
+REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 41319                              
+REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.600                              
+REMARK 200  RESOLUTION RANGE LOW       (A) : 38.000                             
+REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
+REMARK 200                                                                      
+REMARK 200 OVERALL.                                                             
+REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
+REMARK 200  DATA REDUNDANCY                : 5.200                              
+REMARK 200  R MERGE                    (I) : 0.08000                            
+REMARK 200  R SYM                      (I) : NULL                               
+REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 15.1000                            
+REMARK 200                                                                      
+REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
+REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60                     
+REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.69                     
+REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
+REMARK 200  DATA REDUNDANCY IN SHELL       : 4.70                               
+REMARK 200  R MERGE FOR SHELL          (I) : 0.32000                            
+REMARK 200  R SYM FOR SHELL            (I) : NULL                               
+REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.600                              
+REMARK 200                                                                      
+REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
+REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
+REMARK 200 SOFTWARE USED: NULL                                                  
+REMARK 200 STARTING MODEL: PDB ENTRY 1BGQ                                       
+REMARK 200                                                                      
+REMARK 200 REMARK: NULL                                                         
+REMARK 280                                                                      
+REMARK 280 CRYSTAL                                                              
+REMARK 280 SOLVENT CONTENT, VS   (%): 55.42                                     
+REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.78                     
+REMARK 280                                                                      
+REMARK 280 CRYSTALLIZATION CONDITIONS: PH 7.00                                  
+REMARK 290                                                                      
+REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
+REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 2 2                         
+REMARK 290                                                                      
+REMARK 290      SYMOP   SYMMETRY                                                
+REMARK 290     NNNMMM   OPERATOR                                                
+REMARK 290       1555   X,Y,Z                                                   
+REMARK 290       2555   -X,-Y,Z+1/2                                             
+REMARK 290       3555   -Y,X,Z+3/4                                              
+REMARK 290       4555   Y,-X,Z+1/4                                              
+REMARK 290       5555   -X,Y,-Z                                                 
+REMARK 290       6555   X,-Y,-Z+1/2                                             
+REMARK 290       7555   Y,X,-Z+1/4                                              
+REMARK 290       8555   -Y,-X,-Z+3/4                                            
+REMARK 290                                                                      
+REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
+REMARK 290           MMM -> TRANSLATION VECTOR                                  
+REMARK 290                                                                      
+REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
+REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
+REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
+REMARK 290 RELATED MOLECULES.                                                   
+REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
+REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
+REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
+REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
+REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
+REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       55.39600            
+REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000        0.00000            
+REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000        0.00000            
+REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       83.09400            
+REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000        0.00000            
+REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000        0.00000            
+REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       27.69800            
+REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000        0.00000            
+REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000        0.00000            
+REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000        0.00000            
+REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000        0.00000            
+REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000        0.00000            
+REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       55.39600            
+REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000        0.00000            
+REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000            
+REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       27.69800            
+REMARK 290   SMTRY1   8  0.000000 -1.000000  0.000000        0.00000            
+REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000        0.00000            
+REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       83.09400            
+REMARK 290                                                                      
+REMARK 290 REMARK: NULL                                                         
+REMARK 300                                                                      
+REMARK 300 BIOMOLECULE: 1                                                       
+REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
+REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
+REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
+REMARK 300 BURIED SURFACE AREA.                                                 
+REMARK 350                                                                      
+REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
+REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
+REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
+REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
+REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
+REMARK 350                                                                      
+REMARK 350 BIOMOLECULE: 1                                                       
+REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
+REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
+REMARK 350 SOFTWARE USED: PQS                                                   
+REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
+REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
+REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
+REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
+REMARK 470                                                                      
+REMARK 470 MISSING ATOM                                                         
+REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
+REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
+REMARK 470 I=INSERTION CODE):                                                   
+REMARK 470   M RES CSSEQI  ATOMS                                                
+REMARK 470     MET A   1    CG   SD   CE                                        
+REMARK 470     ARG A  32    CD   NE   CZ   NH1  NH2                             
+REMARK 470     LYS A  54    CD   CE   NZ                                        
+REMARK 470     GLU A  71    CG   CD   OE1  OE2                                  
+REMARK 470     LYS A  98    CG   CD   CE   NZ                                   
+REMARK 470     LYS A 102    CD   CE   NZ                                        
+REMARK 470     LYS A 188    CD   CE   NZ                                        
+REMARK 470     LYS A 195    CE   NZ                                             
+REMARK 470     ARG A 196    CG   CD   NE   CZ   NH1  NH2                        
+REMARK 470     GLU A 214    CG   CD   OE1  OE2                                  
+REMARK 500                                                                      
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
+REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
+REMARK 500                                                                      
+REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
+REMARK 500                                                                      
+REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
+REMARK 500   O    SER A    99     O    HOH A  2150              1.91            
+REMARK 500   OD1  ASP A    40     O    HOH A  2072              2.08            
+REMARK 500   C    SER A    99     O    HOH A  2150              2.17            
+REMARK 500   O    HOH A  2043     O    HOH A  2118              2.17            
+REMARK 500                                                                      
+REMARK 500 REMARK: NULL                                                         
+REMARK 500                                                                      
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
+REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
+REMARK 500                                                                      
+REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
+REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
+REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
+REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
+REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
+REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
+REMARK 500                                                                      
+REMARK 500 DISTANCE CUTOFF:                                                     
+REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
+REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
+REMARK 500                                                                      
+REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
+REMARK 500   O    HOH A  2150     O    HOH A  2150     5555     0.55            
+REMARK 500   O    HOH A  2080     O    HOH A  2080     8554     1.07            
+REMARK 500                                                                      
+REMARK 500 REMARK: NULL                                                         
+REMARK 500                                                                      
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
+REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
+REMARK 500                                                                      
+REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
+REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
+REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
+REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
+REMARK 500                                                                      
+REMARK 500 STANDARD TABLE:                                                      
+REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
+REMARK 500                                                                      
+REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
+REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
+REMARK 500                                                                      
+REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
+REMARK 500    ASP A  43   CB  -  CG  -  OD2 ANGL. DEV. =   7.7 DEGREES          
+REMARK 500    ASP A 132   CB  -  CG  -  OD2 ANGL. DEV. =   6.2 DEGREES          
+REMARK 500    ASP A 142   CB  -  CG  -  OD2 ANGL. DEV. =   6.5 DEGREES          
+REMARK 500                                                                      
+REMARK 500 REMARK: NULL                                                         
+REMARK 500                                                                      
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
+REMARK 500 SUBTOPIC: TORSION ANGLES                                             
+REMARK 500                                                                      
+REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
+REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
+REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
+REMARK 500                                                                      
+REMARK 500 STANDARD TABLE:                                                      
+REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
+REMARK 500                                                                      
+REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
+REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
+REMARK 500                                                                      
+REMARK 500  M RES CSSEQI        PSI       PHI                                   
+REMARK 500    TYR A  24      132.19    -39.44                                   
+REMARK 500    ASP A  52       68.04   -150.55                                   
+REMARK 500    GLU A  59       87.65   -172.16                                   
+REMARK 500    THR A  95      -58.55   -128.28                                   
+REMARK 500    PHE A 200       68.61   -111.48                                   
+REMARK 500                                                                      
+REMARK 500 REMARK: NULL                                                         
+REMARK 525                                                                      
+REMARK 525 SOLVENT                                                              
+REMARK 525                                                                      
+REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
+REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
+REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
+REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
+REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
+REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
+REMARK 525 NUMBER; I=INSERTION CODE):                                           
+REMARK 525                                                                      
+REMARK 525  M RES CSSEQI                                                        
+REMARK 525    HOH A2003        DISTANCE =  5.89 ANGSTROMS                       
+REMARK 525    HOH A2023        DISTANCE =  6.11 ANGSTROMS                       
+REMARK 800                                                                      
+REMARK 800 SITE                                                                 
+REMARK 800 SITE_IDENTIFIER: AC1                                                 
+REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
+REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CT5 A1215                 
+REMARK 900                                                                      
+REMARK 900 RELATED ENTRIES                                                      
+REMARK 900 RELATED ID: 1A4H   RELATED DB: PDB                                   
+REMARK 900 STRUCTURE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE IN   
+REMARK 900 COMPLEX WITH GELDANAMYCIN                                            
+REMARK 900 RELATED ID: 1AH6   RELATED DB: PDB                                   
+REMARK 900 STRUCTURE OF THE TETRAGONAL FORM OF THE N -TERMINAL DOMAIN OF THE    
+REMARK 900 YEAST HSP90 CHAPERONE                                                
+REMARK 900 RELATED ID: 1AH8   RELATED DB: PDB                                   
+REMARK 900 STRUCTURE OF THE ORTHORHOMBIC FORM OF THE N-TERMINAL DOMAIN OF THE   
+REMARK 900 YEAST HSP90 CHAPERONE                                                
+REMARK 900 RELATED ID: 1AM1   RELATED DB: PDB                                   
+REMARK 900 ATP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE                    
+REMARK 900 RELATED ID: 1AMW   RELATED DB: PDB                                   
+REMARK 900 ADP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE                    
+REMARK 900 RELATED ID: 1BGQ   RELATED DB: PDB                                   
+REMARK 900 RADICICOL BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF  
+REMARK 900 THE YEAST HSP90 CHAPERONE                                            
+REMARK 900 RELATED ID: 1HK7   RELATED DB: PDB                                   
+REMARK 900 MIDDLE DOMAIN OF HSP90                                               
+REMARK 900 RELATED ID: 1US7   RELATED DB: PDB                                   
+REMARK 900 COMPLEX OF HSP90 AND P50                                             
+REMARK 900 RELATED ID: 1USU   RELATED DB: PDB                                   
+REMARK 900 THE STRUCTURE OF THE COMPLEX BETWEEN AHA1 AND HSP90                  
+REMARK 900 RELATED ID: 1USV   RELATED DB: PDB                                   
+REMARK 900 THE STRUCTURE OF THE COMPLEX BETWEEN AHA1 AND HSP90                  
+REMARK 900 RELATED ID: 2BRE   RELATED DB: PDB                                   
+REMARK 900 STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST      
+REMARK 900 HSP90.                                                               
+DBREF  2BRC A    1   214  UNP    P02829   HSP82_YEAST      1    214             
+SEQRES   1 A  214  MET ALA SER GLU THR PHE GLU PHE GLN ALA GLU ILE THR          
+SEQRES   2 A  214  GLN LEU MET SER LEU ILE ILE ASN THR VAL TYR SER ASN          
+SEQRES   3 A  214  LYS GLU ILE PHE LEU ARG GLU LEU ILE SER ASN ALA SER          
+SEQRES   4 A  214  ASP ALA LEU ASP LYS ILE ARG TYR LYS SER LEU SER ASP          
+SEQRES   5 A  214  PRO LYS GLN LEU GLU THR GLU PRO ASP LEU PHE ILE ARG          
+SEQRES   6 A  214  ILE THR PRO LYS PRO GLU GLN LYS VAL LEU GLU ILE ARG          
+SEQRES   7 A  214  ASP SER GLY ILE GLY MET THR LYS ALA GLU LEU ILE ASN          
+SEQRES   8 A  214  ASN LEU GLY THR ILE ALA LYS SER GLY THR LYS ALA PHE          
+SEQRES   9 A  214  MET GLU ALA LEU SER ALA GLY ALA ASP VAL SER MET ILE          
+SEQRES  10 A  214  GLY GLN PHE GLY VAL GLY PHE TYR SER LEU PHE LEU VAL          
+SEQRES  11 A  214  ALA ASP ARG VAL GLN VAL ILE SER LYS SER ASN ASP ASP          
+SEQRES  12 A  214  GLU GLN TYR ILE TRP GLU SER ASN ALA GLY GLY SER PHE          
+SEQRES  13 A  214  THR VAL THR LEU ASP GLU VAL ASN GLU ARG ILE GLY ARG          
+SEQRES  14 A  214  GLY THR ILE LEU ARG LEU PHE LEU LYS ASP ASP GLN LEU          
+SEQRES  15 A  214  GLU TYR LEU GLU GLU LYS ARG ILE LYS GLU VAL ILE LYS          
+SEQRES  16 A  214  ARG HIS SER GLU PHE VAL ALA TYR PRO ILE GLN LEU VAL          
+SEQRES  17 A  214  VAL THR LYS GLU VAL GLU                                      
+HET    CT5  A1215      26                                                       
+HETNAM     CT5 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-             
+HETNAM   2 CT5  PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL                           
+FORMUL   2  CT5    C20 H20 N2 O4                                                
+FORMUL   3  HOH   *258(H2 O)                                                    
+HELIX    1   1 GLN A    9  THR A   22  1                                  14    
+HELIX    2   2 GLU A   28  LEU A   50  1                                  23    
+HELIX    3   3 ASP A   52  GLU A   57  5                                   6    
+HELIX    4   4 PRO A   70  GLN A   72  5                                   3    
+HELIX    5   5 THR A   85  THR A   95  1                                  11    
+HELIX    6   6 ALA A   97  GLY A  111  1                                  15    
+HELIX    7   7 ASP A  113  GLY A  121  5                                   9    
+HELIX    8   8 VAL A  122  LEU A  129  5                                   8    
+HELIX    9   9 GLN A  181  LEU A  185  5                                   5    
+HELIX   10  10 GLU A  186  SER A  198  1                                  13    
+SHEET    1  AA 8 GLU A   4  GLU A   7  0                                        
+SHEET    2  AA 8 SER A 155  LEU A 160 -1  O  PHE A 156   N  PHE A   6           
+SHEET    3  AA 8 TYR A 146  SER A 150 -1  O  ILE A 147   N  THR A 159           
+SHEET    4  AA 8 ALA A 131  LYS A 139 -1  O  VAL A 134   N  SER A 150           
+SHEET    5  AA 8 GLY A 170  LEU A 177 -1  O  GLY A 170   N  LYS A 139           
+SHEET    6  AA 8 VAL A  74  ASP A  79 -1  O  LEU A  75   N  LEU A 175           
+SHEET    7  AA 8 ILE A  64  LYS A  69 -1  O  ARG A  65   N  ARG A  78           
+SHEET    8  AA 8 ILE A 205  LEU A 207  1  O  GLN A 206   N  ILE A  66           
+SITE     1 AC1 13 ASN A  37  ASP A  40  ALA A  41  ASP A  79                    
+SITE     2 AC1 13 ILE A  82  GLY A  83  MET A  84  LEU A  93                    
+SITE     3 AC1 13 PHE A 124  THR A 171  LEU A 173  HOH A2137                    
+SITE     4 AC1 13 HOH A2258                                                     
+CRYST1   74.001   74.001  110.792  90.00  90.00  90.00 P 43 2 2      8          
+ORIGX1      1.000000  0.000000  0.000000        0.00000                         
+ORIGX2      0.000000  1.000000  0.000000        0.00000                         
+ORIGX3      0.000000  0.000000  1.000000        0.00000                         
+SCALE1      0.013513  0.000000  0.000000        0.00000                         
+SCALE2      0.000000  0.013513  0.000000        0.00000                         
+SCALE3      0.000000  0.000000  0.009026        0.00000                         
+ATOM      1  N   MET A   1      33.050  12.973   3.916  1.00 39.39           N  
+ATOM      2  CA  MET A   1      32.080  14.100   3.862  1.00 38.29           C  
+ATOM      3  C   MET A   1      30.953  13.936   4.885  1.00 37.36           C  
+ATOM      4  O   MET A   1      30.838  12.911   5.590  1.00 37.93           O  
+ATOM      5  CB  MET A   1      31.526  14.308   2.438  1.00 38.85           C  
+ATOM      6  N   ALA A   2      30.143  14.975   4.991  1.00 35.49           N  
+ATOM      7  CA  ALA A   2      29.061  14.961   5.946  1.00 33.10           C  
+ATOM      8  C   ALA A   2      27.916  14.113   5.410  1.00 31.03           C  
+ATOM      9  O   ALA A   2      27.625  14.096   4.218  1.00 30.48           O  
+ATOM     10  CB  ALA A   2      28.585  16.359   6.229  1.00 33.84           C  
+ATOM     11  N   SER A   3      27.291  13.413   6.329  1.00 28.88           N  
+ATOM     12  CA  SER A   3      26.114  12.628   6.050  1.00 26.78           C  
+ATOM     13  C   SER A   3      24.897  13.548   6.013  1.00 25.46           C  
+ATOM     14  O   SER A   3      24.903  14.616   6.635  1.00 27.72           O  
+ATOM     15  CB  SER A   3      25.930  11.628   7.186  1.00 26.97           C  
+ATOM     16  OG  SER A   3      27.070  10.778   7.297  1.00 29.95           O  
+ATOM     17  N   GLU A   4      23.863  13.159   5.271  1.00 22.40           N  
+ATOM     18  CA  GLU A   4      22.588  13.858   5.311  1.00 21.11           C  
+ATOM     19  C   GLU A   4      21.595  12.891   5.949  1.00 20.34           C  
+ATOM     20  O   GLU A   4      21.680  11.672   5.722  1.00 18.50           O  
+ATOM     21  CB  GLU A   4      22.116  14.172   3.908  1.00 21.46           C  
+ATOM     22  CG  GLU A   4      22.892  15.306   3.261  1.00 26.09           C  
+ATOM     23  CD  GLU A   4      22.630  15.384   1.769  1.00 32.97           C  
+ATOM     24  OE1 GLU A   4      21.465  15.617   1.387  1.00 38.16           O  
+ATOM     25  OE2 GLU A   4      23.584  15.218   0.979  1.00 38.74           O  
+ATOM     26  N   THR A   5      20.671  13.426   6.740  1.00 19.30           N  
+ATOM     27  CA  THR A   5      19.715  12.600   7.462  1.00 19.48           C  
+ATOM     28  C   THR A   5      18.312  12.789   6.889  1.00 19.54           C  
+ATOM     29  O   THR A   5      17.901  13.921   6.561  1.00 20.44           O  
+ATOM     30  CB  THR A   5      19.775  12.951   8.950  1.00 19.50           C  
+ATOM     31  OG1 THR A   5      21.094  12.635   9.456  1.00 22.43           O  
+ATOM     32  CG2 THR A   5      18.817  12.038   9.749  1.00 20.59           C  
+ATOM     33  N   PHE A   6      17.570  11.685   6.771  1.00 17.16           N  
+ATOM     34  CA  PHE A   6      16.219  11.691   6.196  1.00 18.00           C  
+ATOM     35  C   PHE A   6      15.277  10.891   7.072  1.00 18.44           C  
+ATOM     36  O   PHE A   6      15.706   9.976   7.751  1.00 19.31           O  
+ATOM     37  CB  PHE A   6      16.222  11.038   4.820  1.00 18.96           C  
+ATOM     38  CG  PHE A   6      17.102  11.720   3.856  1.00 18.53           C  
+ATOM     39  CD1 PHE A   6      18.460  11.409   3.840  1.00 19.17           C  
+ATOM     40  CD2 PHE A   6      16.606  12.683   2.970  1.00 20.58           C  
+ATOM     41  CE1 PHE A   6      19.305  12.036   2.947  1.00 20.28           C  
+ATOM     42  CE2 PHE A   6      17.477  13.329   2.083  1.00 20.49           C  
+ATOM     43  CZ  PHE A   6      18.835  12.997   2.105  1.00 18.85           C  
+ATOM     44  N   GLU A   7      14.000  11.235   7.054  1.00 19.84           N  
+ATOM     45  CA  GLU A   7      13.026  10.478   7.815  1.00 20.66           C  
+ATOM     46  C   GLU A   7      12.367   9.406   6.945  1.00 18.60           C  
+ATOM     47  O   GLU A   7      11.979   9.660   5.773  1.00 19.08           O  
+ATOM     48  CB  GLU A   7      11.936  11.421   8.358  1.00 22.17           C  
+ATOM     49  CG  GLU A   7      11.461  11.020   9.746  1.00 31.05           C  
+ATOM     50  CD  GLU A   7      10.354  11.905  10.307  1.00 38.00           C  
+ATOM     51  OE1 GLU A   7      10.102  13.015   9.752  1.00 42.43           O  
+ATOM     52  OE2 GLU A   7       9.709  11.470  11.301  1.00 42.74           O  
+ATOM     53  N   PHE A   8      12.185   8.203   7.495  1.00 17.76           N  
+ATOM     54  CA  PHE A   8      11.420   7.180   6.764  1.00 16.56           C  
+ATOM     55  C   PHE A   8       9.939   7.518   6.766  1.00 16.37           C  
+ATOM     56  O   PHE A   8       9.451   8.139   7.723  1.00 17.80           O  
+ATOM     57  CB  PHE A   8      11.434   5.827   7.525  1.00 15.52           C  
+ATOM     58  CG  PHE A   8      12.691   5.033   7.334  1.00 14.96           C  
+ATOM     59  CD1 PHE A   8      13.717   5.136   8.248  1.00 15.44           C  
+ATOM     60  CD2 PHE A   8      12.796   4.137   6.278  1.00 14.37           C  
+ATOM     61  CE1 PHE A   8      14.905   4.424   8.076  1.00 15.27           C  
+ATOM     62  CE2 PHE A   8      13.944   3.411   6.109  1.00 16.20           C  
+ATOM     63  CZ  PHE A   8      14.987   3.529   7.018  1.00 14.18           C  
+ATOM     64  N   GLN A   9       9.228   7.080   5.743  1.00 17.29           N  
+ATOM     65  CA  GLN A   9       7.761   7.073   5.824  1.00 18.07           C  
+ATOM     66  C   GLN A   9       7.390   6.260   7.074  1.00 18.98           C  
+ATOM     67  O   GLN A   9       7.955   5.180   7.321  1.00 17.09           O  
+ATOM     68  CB  GLN A   9       7.110   6.478   4.582  1.00 19.54           C  
+ATOM     69  CG  GLN A   9       7.297   7.306   3.341  1.00 25.55           C  
+ATOM     70  CD  GLN A   9       6.715   8.695   3.500  1.00 36.08           C  
+ATOM     71  OE1 GLN A   9       5.859   8.919   4.358  1.00 40.04           O  
+ATOM     72  NE2 GLN A   9       7.172   9.632   2.670  1.00 39.83           N  
+ATOM     73  N   ALA A  10       6.427   6.741   7.875  1.00 18.03           N  
+ATOM     74  CA  ALA A  10       6.229   6.140   9.195  1.00 18.26           C  
+ATOM     75  C   ALA A  10       5.871   4.663   9.159  1.00 16.53           C  
+ATOM     76  O   ALA A  10       6.261   3.930  10.041  1.00 15.94           O  
+ATOM     77  CB  ALA A  10       5.146   6.919   9.974  1.00 18.39           C  
+ATOM     78  N   GLU A  11       5.145   4.237   8.138  1.00 16.79           N  
+ATOM     79  CA  GLU A  11       4.766   2.820   8.081  1.00 17.31           C  
+ATOM     80  C   GLU A  11       5.978   1.910   7.879  1.00 16.34           C  
+ATOM     81  O   GLU A  11       5.963   0.767   8.326  1.00 15.78           O  
+ATOM     82  CB  GLU A  11       3.729   2.560   6.986  1.00 17.95           C  
+ATOM     83  CG  GLU A  11       2.392   3.203   7.340  1.00 22.32           C  
+ATOM     84  CD  GLU A  11       2.314   4.667   6.971  1.00 29.15           C  
+ATOM     85  OE1 GLU A  11       3.332   5.274   6.491  1.00 28.32           O  
+ATOM     86  OE2 GLU A  11       1.201   5.223   7.169  1.00 32.62           O  
+ATOM     87  N   ILE A  12       7.024   2.412   7.229  1.00 16.67           N  
+ATOM     88  CA  ILE A  12       8.258   1.607   7.104  1.00 15.50           C  
+ATOM     89  C   ILE A  12       8.935   1.466   8.464  1.00 14.39           C  
+ATOM     90  O   ILE A  12       9.411   0.400   8.826  1.00 14.97           O  
+ATOM     91  CB  ILE A  12       9.201   2.230   6.076  1.00 15.30           C  
+ATOM     92  CG1 ILE A  12       8.477   2.372   4.738  1.00 16.65           C  
+ATOM     93  CG2 ILE A  12      10.476   1.327   5.877  1.00 16.74           C  
+ATOM     94  CD1 ILE A  12       9.313   3.089   3.666  1.00 16.80           C  
+ATOM     95  N   THR A  13       8.939   2.548   9.250  1.00 13.97           N  
+ATOM     96  CA  THR A  13       9.480   2.509  10.589  1.00 14.12           C  
+ATOM     97  C   THR A  13       8.682   1.506  11.448  1.00 14.40           C  
+ATOM     98  O   THR A  13       9.270   0.766  12.236  1.00 14.26           O  
+ATOM     99  CB  THR A  13       9.360   3.911  11.197  1.00 14.71           C  
+ATOM    100  OG1 THR A  13      10.101   4.812  10.346  1.00 17.51           O  
+ATOM    101  CG2 THR A  13      10.061   3.970  12.538  1.00 15.96           C  
+ATOM    102  N   GLN A  14       7.369   1.489  11.288  1.00 14.19           N  
+ATOM    103  CA  GLN A  14       6.547   0.490  11.976  1.00 14.43           C  
+ATOM    104  C   GLN A  14       6.941  -0.922  11.575  1.00 14.53           C  
+ATOM    105  O   GLN A  14       7.160  -1.773  12.431  1.00 14.71           O  
+ATOM    106  CB  GLN A  14       5.073   0.698  11.679  1.00 14.06           C  
+ATOM    107  CG  GLN A  14       4.571   2.042  12.200  1.00 16.56           C  
+ATOM    108  CD  GLN A  14       3.131   2.332  11.834  1.00 20.58           C  
+ATOM    109  OE1 GLN A  14       2.411   1.446  11.349  1.00 22.79           O  
+ATOM    110  NE2 GLN A  14       2.693   3.561  12.081  1.00 21.20           N  
+ATOM    111  N   LEU A  15       7.094  -1.151  10.275  1.00 15.20           N  
+ATOM    112  CA  LEU A  15       7.469  -2.503   9.837  1.00 15.41           C  
+ATOM    113  C   LEU A  15       8.837  -2.917  10.374  1.00 15.73           C  
+ATOM    114  O   LEU A  15       9.035  -4.039  10.865  1.00 14.31           O  
+ATOM    115  CB  LEU A  15       7.370  -2.639   8.311  1.00 16.07           C  
+ATOM    116  CG  LEU A  15       7.710  -4.099   7.905  1.00 17.62           C  
+ATOM    117  CD1 LEU A  15       6.805  -5.170   8.555  1.00 19.96           C  
+ATOM    118  CD2 LEU A  15       7.693  -4.207   6.394  1.00 22.75           C  
+ATOM    119  N   MET A  16       9.801  -2.009  10.301  1.00 14.02           N  
+ATOM    120  CA  MET A  16      11.142  -2.365  10.806  1.00 14.70           C  
+ATOM    121  C   MET A  16      11.125  -2.749  12.270  1.00 14.80           C  
+ATOM    122  O   MET A  16      11.873  -3.626  12.697  1.00 16.45           O  
+ATOM    123  CB  MET A  16      12.140  -1.228  10.586  1.00 15.72           C  
+ATOM    124  CG  MET A  16      12.434  -1.027   9.103  1.00 15.71           C  
+ATOM    125  SD  MET A  16      13.743   0.161   8.798  1.00 14.62           S  
+ATOM    126  CE  MET A  16      13.037   1.668   9.384  1.00 17.53           C  
+ATOM    127  N   SER A  17      10.343  -2.009  13.045  1.00 15.41           N  
+ATOM    128  CA  SER A  17      10.215  -2.248  14.485  1.00 16.73           C  
+ATOM    129  C   SER A  17       9.645  -3.639  14.738  1.00 16.08           C  
+ATOM    130  O   SER A  17      10.178  -4.379  15.584  1.00 18.39           O  
+ATOM    131  CB  SER A  17       9.303  -1.172  15.113  1.00 17.08           C  
+ATOM    132  OG  SER A  17       9.231  -1.370  16.546  1.00 20.25           O  
+ATOM    133  N   LEU A  18       8.603  -4.007  14.009  1.00 17.24           N  
+ATOM    134  CA  LEU A  18       7.993  -5.343  14.145  1.00 17.40           C  
+ATOM    135  C   LEU A  18       8.999  -6.439  13.809  1.00 17.57           C  
+ATOM    136  O   LEU A  18       9.127  -7.436  14.524  1.00 19.19           O  
+ATOM    137  CB  LEU A  18       6.757  -5.487  13.252  1.00 18.58           C  
+ATOM    138  CG  LEU A  18       5.539  -4.634  13.612  1.00 21.34           C  
+ATOM    139  CD1 LEU A  18       4.408  -4.815  12.618  1.00 23.10           C  
+ATOM    140  CD2 LEU A  18       5.097  -5.086  15.037  1.00 23.09           C  
+ATOM    141  N   ILE A  19       9.801  -6.213  12.768  1.00 16.55           N  
+ATOM    142  CA  ILE A  19      10.680  -7.277  12.291  1.00 15.73           C  
+ATOM    143  C   ILE A  19      11.904  -7.436  13.176  1.00 16.36           C  
+ATOM    144  O   ILE A  19      12.377  -8.523  13.422  1.00 16.63           O  
+ATOM    145  CB  ILE A  19      11.133  -6.976  10.845  1.00 14.90           C  
+ATOM    146  CG1 ILE A  19       9.936  -7.046   9.942  1.00 14.03           C  
+ATOM    147  CG2 ILE A  19      12.211  -7.997  10.371  1.00 16.14           C  
+ATOM    148  CD1 ILE A  19      10.251  -6.792   8.496  1.00 19.55           C  
+ATOM    149  N   ILE A  20      12.510  -6.307  13.585  1.00 16.30           N  
+ATOM    150  CA  ILE A  20      13.705  -6.384  14.410  1.00 16.06           C  
+ATOM    151  C   ILE A  20      13.364  -7.000  15.756  1.00 17.71           C  
+ATOM    152  O   ILE A  20      14.210  -7.635  16.362  1.00 18.45           O  
+ATOM    153  CB  ILE A  20      14.446  -5.021  14.561  1.00 17.18           C  
+ATOM    154  CG1 ILE A  20      15.902  -5.254  14.988  1.00 16.16           C  
+ATOM    155  CG2 ILE A  20      13.671  -4.065  15.543  1.00 18.19           C  
+ATOM    156  CD1 ILE A  20      16.736  -3.966  15.023  1.00 19.08           C  
+ATOM    157  N   ASN A  21      12.111  -6.837  16.183  1.00 18.15           N  
+ATOM    158  CA  ASN A  21      11.735  -7.389  17.489  1.00 20.14           C  
+ATOM    159  C   ASN A  21      11.055  -8.749  17.473  1.00 21.10           C  
+ATOM    160  O   ASN A  21      10.930  -9.372  18.538  1.00 22.19           O  
+ATOM    161  CB  ASN A  21      10.848  -6.376  18.245  1.00 19.88           C  
+ATOM    162  CG  ASN A  21      11.635  -5.173  18.763  1.00 19.89           C  
+ATOM    163  OD1 ASN A  21      12.554  -5.326  19.584  1.00 26.86           O  
+ATOM    164  ND2 ASN A  21      11.325  -3.977  18.255  1.00 21.02           N  
+ATOM    165  N   THR A  22      10.597  -9.236  16.315  1.00 20.09           N  
+ATOM    166  CA  THR A  22       9.792 -10.438  16.337  1.00 20.83           C  
+ATOM    167  C   THR A  22      10.554 -11.666  16.755  1.00 21.40           C  
+ATOM    168  O   THR A  22      11.758 -11.820  16.475  1.00 20.89           O  
+ATOM    169  CB  THR A  22       9.130 -10.655  15.002  1.00 21.58           C  
+ATOM    170  OG1 THR A  22       8.375 -11.870  15.047  1.00 21.08           O  
+ATOM    171  CG2 THR A  22      10.194 -10.923  13.921  1.00 20.57           C  
+ATOM    172  N   VAL A  23       9.836 -12.584  17.401  1.00 21.53           N  
+ATOM    173  CA  VAL A  23      10.480 -13.833  17.786  1.00 22.16           C  
+ATOM    174  C   VAL A  23      10.234 -14.961  16.787  1.00 22.54           C  
+ATOM    175  O   VAL A  23      10.479 -16.119  17.085  1.00 22.96           O  
+ATOM    176  CB  VAL A  23      10.118 -14.284  19.247  1.00 22.59           C  
+ATOM    177  CG1 VAL A  23      10.649 -13.294  20.267  1.00 23.39           C  
+ATOM    178  CG2 VAL A  23       8.631 -14.518  19.381  1.00 24.37           C  
+ATOM    179  N   TYR A  24       9.757 -14.616  15.591  1.00 21.82           N  
+ATOM    180  CA  TYR A  24       9.594 -15.556  14.468  1.00 22.38           C  
+ATOM    181  C   TYR A  24      10.749 -16.555  14.358  1.00 22.68           C  
+ATOM    182  O   TYR A  24      11.929 -16.165  14.391  1.00 24.00           O  
+ATOM    183  CB  TYR A  24       9.524 -14.715  13.173  1.00 22.24           C  
+ATOM    184  CG  TYR A  24       9.316 -15.501  11.903  1.00 22.63           C  
+ATOM    185  CD1 TYR A  24       8.089 -16.162  11.643  1.00 22.57           C  
+ATOM    186  CD2 TYR A  24      10.332 -15.603  10.963  1.00 20.99           C  
+ATOM    187  CE1 TYR A  24       7.899 -16.860  10.471  1.00 21.70           C  
+ATOM    188  CE2 TYR A  24      10.157 -16.316   9.787  1.00 23.00           C  
+ATOM    189  CZ  TYR A  24       8.944 -16.941   9.548  1.00 23.48           C  
+ATOM    190  OH  TYR A  24       8.760 -17.642   8.390  1.00 23.07           O  
+ATOM    191  N   SER A  25      10.431 -17.835  14.208  1.00 23.15           N  
+ATOM    192  CA  SER A  25      11.454 -18.855  14.244  1.00 25.14           C  
+ATOM    193  C   SER A  25      12.383 -18.922  13.024  1.00 24.97           C  
+ATOM    194  O   SER A  25      13.599 -19.047  13.167  1.00 27.74           O  
+ATOM    195  CB  SER A  25      10.823 -20.237  14.485  1.00 25.30           C  
+ATOM    196  OG  SER A  25      10.036 -20.633  13.378  1.00 31.33           O  
+ATOM    197  N   ASN A  26      11.798 -18.803  11.838  1.00 23.87           N  
+ATOM    198  CA  ASN A  26      12.496 -19.085  10.593  1.00 22.96           C  
+ATOM    199  C   ASN A  26      13.247 -17.877  10.025  1.00 21.23           C  
+ATOM    200  O   ASN A  26      12.992 -17.475   8.889  1.00 21.66           O  
+ATOM    201  CB  ASN A  26      11.544 -19.663   9.550  1.00 24.64           C  
+ATOM    202  CG  ASN A  26      12.270 -20.539   8.497  1.00 28.78           C  
+ATOM    203  OD1 ASN A  26      13.306 -21.164   8.787  1.00 38.08           O  
+ATOM    204  ND2 ASN A  26      11.720 -20.593   7.290  1.00 36.26           N  
+ATOM    205  N   LYS A  27      14.176 -17.357  10.812  1.00 20.46           N  
+ATOM    206  CA  LYS A  27      14.887 -16.108  10.416  1.00 19.75           C  
+ATOM    207  C   LYS A  27      15.671 -16.267   9.129  1.00 19.93           C  
+ATOM    208  O   LYS A  27      15.891 -15.253   8.412  1.00 17.92           O  
+ATOM    209  CB  LYS A  27      15.768 -15.579  11.552  1.00 19.28           C  
+ATOM    210  CG  LYS A  27      14.969 -15.026  12.730  1.00 22.26           C  
+ATOM    211  CD  LYS A  27      15.824 -14.970  13.974  1.00 27.88           C  
+ATOM    212  CE  LYS A  27      15.074 -14.344  15.172  1.00 32.92           C  
+ATOM    213  NZ  LYS A  27      15.235 -12.881  15.161  1.00 27.85           N  
+ATOM    214  N   GLU A  28      16.016 -17.502   8.765  1.00 19.23           N  
+ATOM    215  CA  GLU A  28      16.848 -17.692   7.578  1.00 18.59           C  
+ATOM    216  C   GLU A  28      16.212 -17.196   6.255  1.00 19.16           C  
+ATOM    217  O   GLU A  28      16.907 -17.053   5.241  1.00 18.42           O  
+ATOM    218  CB  GLU A  28      17.256 -19.175   7.445  1.00 19.75           C  
+ATOM    219  CG  GLU A  28      16.147 -20.029   6.898  1.00 21.64           C  
+ATOM    220  CD  GLU A  28      16.495 -21.511   6.935  1.00 27.68           C  
+ATOM    221  OE1 GLU A  28      17.064 -21.954   7.950  1.00 31.50           O  
+ATOM    222  OE2 GLU A  28      16.189 -22.218   5.965  1.00 29.17           O  
+ATOM    223  N   ILE A  29      14.903 -16.924   6.253  1.00 18.52           N  
+ATOM    224  CA  ILE A  29      14.232 -16.474   5.048  1.00 19.25           C  
+ATOM    225  C   ILE A  29      14.761 -15.121   4.554  1.00 16.72           C  
+ATOM    226  O   ILE A  29      14.521 -14.730   3.416  1.00 17.64           O  
+ATOM    227  CB  ILE A  29      12.685 -16.398   5.258  1.00 21.15           C  
+ATOM    228  CG1 ILE A  29      12.322 -15.367   6.301  1.00 23.38           C  
+ATOM    229  CG2 ILE A  29      12.130 -17.761   5.592  1.00 24.43           C  
+ATOM    230  CD1 ILE A  29      11.831 -14.115   5.693  1.00 30.18           C  
+ATOM    231  N   PHE A  30      15.473 -14.416   5.409  1.00 15.77           N  
+ATOM    232  CA  PHE A  30      15.999 -13.123   4.971  1.00 15.38           C  
+ATOM    233  C   PHE A  30      16.868 -13.300   3.733  1.00 14.93           C  
+ATOM    234  O   PHE A  30      16.874 -12.453   2.841  1.00 14.87           O  
+ATOM    235  CB  PHE A  30      16.804 -12.414   6.068  1.00 14.77           C  
+ATOM    236  CG  PHE A  30      18.227 -12.889   6.186  1.00 15.59           C  
+ATOM    237  CD1 PHE A  30      19.266 -12.200   5.563  1.00 15.68           C  
+ATOM    238  CD2 PHE A  30      18.526 -14.040   6.899  1.00 16.71           C  
+ATOM    239  CE1 PHE A  30      20.573 -12.675   5.658  1.00 15.08           C  
+ATOM    240  CE2 PHE A  30      19.818 -14.529   6.997  1.00 17.37           C  
+ATOM    241  CZ  PHE A  30      20.876 -13.831   6.366  1.00 16.40           C  
+ATOM    242  N   LEU A  31      17.628 -14.392   3.701  1.00 14.51           N  
+ATOM    243  CA  LEU A  31      18.619 -14.550   2.601  1.00 14.88           C  
+ATOM    244  C   LEU A  31      17.935 -14.729   1.252  1.00 15.81           C  
+ATOM    245  O   LEU A  31      18.366 -14.182   0.246  1.00 15.41           O  
+ATOM    246  CB  LEU A  31      19.615 -15.677   2.935  1.00 14.46           C  
+ATOM    247  CG  LEU A  31      20.798 -15.661   1.967  1.00 16.52           C  
+ATOM    248  CD1 LEU A  31      21.592 -14.382   2.076  1.00 18.11           C  
+ATOM    249  CD2 LEU A  31      21.707 -16.842   2.335  1.00 19.15           C  
+ATOM    250  N   ARG A  32      16.866 -15.510   1.217  1.00 14.66           N  
+ATOM    251  CA  ARG A  32      16.105 -15.591  -0.015  1.00 15.94           C  
+ATOM    252  C   ARG A  32      15.599 -14.266  -0.527  1.00 15.08           C  
+ATOM    253  O   ARG A  32      15.628 -13.961  -1.707  1.00 14.59           O  
+ATOM    254  CB  ARG A  32      14.931 -16.544   0.192  1.00 17.02           C  
+ATOM    255  CG  ARG A  32      14.060 -16.647  -1.006  1.00 21.60           C  
+ATOM    256  N   GLU A  33      15.102 -13.432   0.375  1.00 14.07           N  
+ATOM    257  CA  GLU A  33      14.563 -12.176  -0.092  1.00 13.86           C  
+ATOM    258  C   GLU A  33      15.666 -11.268  -0.622  1.00 12.47           C  
+ATOM    259  O   GLU A  33      15.479 -10.556  -1.570  1.00 14.44           O  
+ATOM    260  CB  GLU A  33      13.825 -11.436   1.033  1.00 14.67           C  
+ATOM    261  CG  GLU A  33      12.642 -12.229   1.563  1.00 17.13           C  
+ATOM    262  CD  GLU A  33      11.572 -12.404   0.510  1.00 20.17           C  
+ATOM    263  OE1 GLU A  33      11.467 -11.604  -0.413  1.00 20.09           O  
+ATOM    264  OE2 GLU A  33      10.889 -13.467   0.567  1.00 24.99           O  
+ATOM    265  N   LEU A  34      16.824 -11.287   0.015  1.00 13.39           N  
+ATOM    266  CA  LEU A  34      17.891 -10.392  -0.456  1.00 12.89           C  
+ATOM    267  C   LEU A  34      18.503 -10.935  -1.771  1.00 12.50           C  
+ATOM    268  O   LEU A  34      18.916 -10.154  -2.649  1.00 12.65           O  
+ATOM    269  CB  LEU A  34      18.940 -10.227   0.644  1.00 12.93           C  
+ATOM    270  CG  LEU A  34      18.466  -9.646   1.990  1.00 12.89           C  
+ATOM    271  CD1 LEU A  34      19.716  -9.397   2.845  1.00 14.02           C  
+ATOM    272  CD2 LEU A  34      17.688  -8.346   1.788  1.00 13.51           C  
+ATOM    273  N   ILE A  35      18.556 -12.262  -1.921  1.00 12.47           N  
+ATOM    274  CA  ILE A  35      19.039 -12.848  -3.183  1.00 12.88           C  
+ATOM    275  C   ILE A  35      18.034 -12.523  -4.304  1.00 13.04           C  
+ATOM    276  O   ILE A  35      18.399 -12.159  -5.407  1.00 13.57           O  
+ATOM    277  CB  ILE A  35      19.287 -14.370  -3.030  1.00 12.90           C  
+ATOM    278  CG1 ILE A  35      20.522 -14.589  -2.177  1.00 13.18           C  
+ATOM    279  CG2 ILE A  35      19.378 -15.023  -4.483  1.00 12.63           C  
+ATOM    280  CD1 ILE A  35      20.810 -16.071  -1.854  1.00 16.31           C  
+ATOM    281  N   SER A  36      16.764 -12.596  -3.974  1.00 14.35           N  
+ATOM    282  CA  SER A  36      15.734 -12.221  -4.937  1.00 13.99           C  
+ATOM    283  C   SER A  36      15.874 -10.755  -5.382  1.00 14.51           C  
+ATOM    284  O   SER A  36      15.782 -10.423  -6.584  1.00 14.23           O  
+ATOM    285  CB  SER A  36      14.358 -12.432  -4.293  1.00 16.17           C  
+ATOM    286  OG  SER A  36      13.375 -12.084  -5.239  1.00 21.10           O  
+ATOM    287  N   ASN A  37      16.092  -9.845  -4.422  1.00 13.05           N  
+ATOM    288  CA  ASN A  37      16.265  -8.459  -4.810  1.00 12.99           C  
+ATOM    289  C   ASN A  37      17.497  -8.223  -5.690  1.00 13.12           C  
+ATOM    290  O   ASN A  37      17.456  -7.431  -6.621  1.00 13.24           O  
+ATOM    291  CB  ASN A  37      16.388  -7.582  -3.559  1.00 13.52           C  
+ATOM    292  CG  ASN A  37      15.069  -7.371  -2.840  1.00 17.86           C  
+ATOM    293  OD1 ASN A  37      15.033  -6.613  -1.866  1.00 23.35           O  
+ATOM    294  ND2 ASN A  37      14.028  -8.001  -3.271  1.00 16.49           N  
+ATOM    295  N   ALA A  38      18.584  -8.907  -5.326  1.00 12.77           N  
+ATOM    296  CA  ALA A  38      19.815  -8.876  -6.125  1.00 13.02           C  
+ATOM    297  C   ALA A  38      19.535  -9.340  -7.553  1.00 12.05           C  
+ATOM    298  O   ALA A  38      19.988  -8.695  -8.507  1.00 12.25           O  
+ATOM    299  CB  ALA A  38      20.902  -9.742  -5.476  1.00 13.69           C  
+ATOM    300  N   SER A  39      18.824 -10.448  -7.656  1.00 13.06           N  
+ATOM    301  CA  SER A  39      18.500 -11.003  -8.988  1.00 12.93           C  
+ATOM    302  C   SER A  39      17.668 -10.003  -9.769  1.00 13.20           C  
+ATOM    303  O   SER A  39      17.896  -9.778 -10.955  1.00 13.96           O  
+ATOM    304  CB  SER A  39      17.768 -12.340  -8.805  1.00 14.53           C  
+ATOM    305  OG  SER A  39      17.439 -12.927 -10.093  1.00 17.61           O  
+ATOM    306  N   ASP A  40      16.714  -9.364  -9.110  1.00 13.40           N  
+ATOM    307  CA  ASP A  40      15.893  -8.381  -9.796  1.00 14.26           C  
+ATOM    308  C   ASP A  40      16.747  -7.228 -10.322  1.00 14.50           C  
+ATOM    309  O   ASP A  40      16.553  -6.715 -11.410  1.00 13.85           O  
+ATOM    310  CB  ASP A  40      14.834  -7.840  -8.854  1.00 16.11           C  
+ATOM    311  CG  ASP A  40      13.750  -8.871  -8.539  1.00 20.50           C  
+ATOM    312  OD1 ASP A  40      13.700  -9.955  -9.196  1.00 26.06           O  
+ATOM    313  OD2 ASP A  40      12.878  -8.665  -7.660  1.00 26.67           O  
+ATOM    314  N   ALA A  41      17.719  -6.761  -9.513  1.00 12.23           N  
+ATOM    315  CA  ALA A  41      18.537  -5.647  -9.954  1.00 11.86           C  
+ATOM    316  C   ALA A  41      19.427  -6.029 -11.116  1.00 12.19           C  
+ATOM    317  O   ALA A  41      19.742  -5.187 -11.971  1.00 12.46           O  
+ATOM    318  CB  ALA A  41      19.432  -5.156  -8.748  1.00 13.68           C  
+ATOM    319  N   LEU A  42      19.865  -7.290 -11.128  1.00 11.91           N  
+ATOM    320  CA  LEU A  42      20.674  -7.797 -12.243  1.00 11.90           C  
+ATOM    321  C   LEU A  42      19.749  -7.920 -13.504  1.00 11.89           C  
+ATOM    322  O   LEU A  42      20.170  -7.626 -14.625  1.00 13.86           O  
+ATOM    323  CB  LEU A  42      21.217  -9.177 -11.867  1.00 11.79           C  
+ATOM    324  CG  LEU A  42      22.425  -9.047 -10.930  1.00 10.59           C  
+ATOM    325  CD1 LEU A  42      22.603 -10.336 -10.157  1.00 10.82           C  
+ATOM    326  CD2 LEU A  42      23.702  -8.749 -11.716  1.00 12.07           C  
+ATOM    327  N   ASP A  43      18.505  -8.314 -13.300  1.00 12.39           N  
+ATOM    328  CA  ASP A  43      17.550  -8.346 -14.413  1.00 14.12           C  
+ATOM    329  C   ASP A  43      17.472  -6.988 -15.010  1.00 14.73           C  
+ATOM    330  O   ASP A  43      17.430  -6.823 -16.223  1.00 14.72           O  
+ATOM    331  CB  ASP A  43      16.183  -8.851 -13.984  1.00 14.76           C  
+ATOM    332  CG  ASP A  43      16.116 -10.337 -13.724  1.00 15.12           C  
+ATOM    333  OD1 ASP A  43      15.049 -10.695 -13.145  1.00 19.52           O  
+ATOM    334  OD2 ASP A  43      17.016 -11.183 -14.007  1.00 16.95           O  
+ATOM    335  N   LYS A  44      17.408  -5.979 -14.150  1.00 13.53           N  
+ATOM    336  CA  LYS A  44      17.230  -4.615 -14.651  1.00 14.22           C  
+ATOM    337  C   LYS A  44      18.400  -4.117 -15.496  1.00 14.37           C  
+ATOM    338  O   LYS A  44      18.200  -3.518 -16.552  1.00 14.29           O  
+ATOM    339  CB  LYS A  44      16.846  -3.598 -13.544  1.00 14.30           C  
+ATOM    340  CG  LYS A  44      15.539  -3.893 -12.801  1.00 20.28           C  
+ATOM    341  CD  LYS A  44      14.353  -4.070 -13.683  1.00 29.20           C  
+ATOM    342  CE  LYS A  44      13.036  -3.998 -12.860  1.00 34.00           C  
+ATOM    343  NZ  LYS A  44      12.369  -5.335 -12.692  1.00 35.02           N  
+ATOM    344  N   ILE A  45      19.626  -4.362 -15.059  1.00 12.95           N  
+ATOM    345  CA  ILE A  45      20.735  -3.896 -15.872  1.00 14.59           C  
+ATOM    346  C   ILE A  45      20.852  -4.701 -17.175  1.00 14.56           C  
+ATOM    347  O   ILE A  45      21.233  -4.101 -18.198  1.00 15.02           O  
+ATOM    348  CB  ILE A  45      22.056  -3.855 -15.090  1.00 14.32           C  
+ATOM    349  CG1 ILE A  45      23.162  -3.181 -15.927  1.00 15.55           C  
+ATOM    350  CG2 ILE A  45      22.423  -5.236 -14.629  1.00 16.09           C  
+ATOM    351  CD1 ILE A  45      22.910  -1.689 -16.070  1.00 18.20           C  
+ATOM    352  N   ARG A  46      20.508  -5.989 -17.141  1.00 14.66           N  
+ATOM    353  CA  ARG A  46      20.579  -6.808 -18.364  1.00 16.20           C  
+ATOM    354  C   ARG A  46      19.556  -6.247 -19.347  1.00 15.98           C  
+ATOM    355  O   ARG A  46      19.843  -6.064 -20.535  1.00 16.23           O  
+ATOM    356  CB  ARG A  46      20.245  -8.253 -18.050  1.00 17.46           C  
+ATOM    357  CG  ARG A  46      20.530  -9.253 -19.145  1.00 24.26           C  
+ATOM    358  CD  ARG A  46      20.930 -10.638 -18.524  1.00 28.56           C  
+ATOM    359  NE  ARG A  46      19.873 -11.086 -17.618  1.00 33.89           N  
+ATOM    360  CZ  ARG A  46      18.778 -11.691 -18.032  1.00 33.07           C  
+ATOM    361  NH1 ARG A  46      18.636 -11.951 -19.332  1.00 35.89           N  
+ATOM    362  NH2 ARG A  46      17.837 -12.064 -17.170  1.00 33.67           N  
+ATOM    363  N   TYR A  47      18.358  -5.990 -18.855  1.00 14.80           N  
+ATOM    364  CA  TYR A  47      17.297  -5.490 -19.747  1.00 14.96           C  
+ATOM    365  C   TYR A  47      17.651  -4.098 -20.298  1.00 14.96           C  
+ATOM    366  O   TYR A  47      17.504  -3.809 -21.513  1.00 16.15           O  
+ATOM    367  CB  TYR A  47      15.953  -5.448 -19.003  1.00 13.85           C  
+ATOM    368  CG  TYR A  47      14.805  -5.177 -19.933  1.00 14.55           C  
+ATOM    369  CD1 TYR A  47      14.095  -6.205 -20.490  1.00 17.13           C  
+ATOM    370  CD2 TYR A  47      14.443  -3.880 -20.181  1.00 16.54           C  
+ATOM    371  CE1 TYR A  47      13.040  -5.905 -21.377  1.00 20.17           C  
+ATOM    372  CE2 TYR A  47      13.412  -3.580 -21.027  1.00 20.37           C  
+ATOM    373  CZ  TYR A  47      12.735  -4.594 -21.596  1.00 19.46           C  
+ATOM    374  OH  TYR A  47      11.705  -4.176 -22.427  1.00 27.15           O  
+ATOM    375  N   LYS A  48      18.162  -3.216 -19.436  1.00 13.95           N  
+ATOM    376  CA  LYS A  48      18.519  -1.879 -19.871  1.00 14.91           C  
+ATOM    377  C   LYS A  48      19.582  -1.965 -20.949  1.00 15.86           C  
+ATOM    378  O   LYS A  48      19.540  -1.200 -21.937  1.00 17.33           O  
+ATOM    379  CB  LYS A  48      19.000  -1.017 -18.683  1.00 16.15           C  
+ATOM    380  CG  LYS A  48      19.371   0.429 -19.050  1.00 17.06           C  
+ATOM    381  CD  LYS A  48      19.813   1.160 -17.800  1.00 23.42           C  
+ATOM    382  CE  LYS A  48      19.836   2.668 -17.965  1.00 28.37           C  
+ATOM    383  NZ  LYS A  48      19.344   3.214 -16.637  1.00 30.37           N  
+ATOM    384  N   SER A  49      20.498  -2.915 -20.810  1.00 15.95           N  
+ATOM    385  CA  SER A  49      21.632  -3.040 -21.710  1.00 16.76           C  
+ATOM    386  C   SER A  49      21.223  -3.556 -23.104  1.00 16.96           C  
+ATOM    387  O   SER A  49      22.049  -3.487 -24.018  1.00 18.21           O  
+ATOM    388  CB  SER A  49      22.712  -3.971 -21.115  1.00 19.00           C  
+ATOM    389  OG  SER A  49      22.367  -5.349 -21.248  1.00 24.42           O  
+ATOM    390  N   LEU A  50      20.009  -4.083 -23.243  1.00 17.32           N  
+ATOM    391  CA  LEU A  50      19.537  -4.568 -24.555  1.00 17.68           C  
+ATOM    392  C   LEU A  50      19.563  -3.447 -25.555  1.00 18.56           C  
+ATOM    393  O   LEU A  50      19.818  -3.659 -26.718  1.00 19.54           O  
+ATOM    394  CB  LEU A  50      18.087  -5.058 -24.466  1.00 17.57           C  
+ATOM    395  CG  LEU A  50      17.910  -6.349 -23.712  1.00 17.37           C  
+ATOM    396  CD1 LEU A  50      16.418  -6.638 -23.599  1.00 21.58           C  
+ATOM    397  CD2 LEU A  50      18.650  -7.488 -24.415  1.00 22.19           C  
+ATOM    398  N   SER A  51      19.301  -2.242 -25.088  1.00 18.17           N  
+ATOM    399  CA  SER A  51      19.308  -1.058 -25.958  1.00 18.25           C  
+ATOM    400  C   SER A  51      20.368  -0.026 -25.629  1.00 20.34           C  
+ATOM    401  O   SER A  51      20.533   0.979 -26.326  1.00 21.20           O  
+ATOM    402  CB  SER A  51      17.944  -0.380 -25.935  1.00 20.69           C  
+ATOM    403  OG  SER A  51      16.959  -1.243 -26.460  1.00 22.34           O  
+ATOM    404  N   ASP A  52      21.211  -0.319 -24.638  1.00 20.30           N  
+ATOM    405  CA  ASP A  52      22.284   0.598 -24.236  1.00 20.67           C  
+ATOM    406  C   ASP A  52      23.417  -0.314 -23.686  1.00 21.11           C  
+ATOM    407  O   ASP A  52      23.678  -0.378 -22.482  1.00 20.46           O  
+ATOM    408  CB  ASP A  52      21.731   1.542 -23.151  1.00 21.13           C  
+ATOM    409  CG  ASP A  52      22.635   2.735 -22.863  1.00 21.46           C  
+ATOM    410  OD1 ASP A  52      23.785   2.778 -23.330  1.00 23.40           O  
+ATOM    411  OD2 ASP A  52      22.241   3.669 -22.139  1.00 26.89           O  
+ATOM    412  N   PRO A  53      24.032  -1.080 -24.553  1.00 20.60           N  
+ATOM    413  CA  PRO A  53      25.077  -2.043 -24.203  1.00 20.82           C  
+ATOM    414  C   PRO A  53      26.261  -1.471 -23.397  1.00 21.27           C  
+ATOM    415  O   PRO A  53      26.871  -2.219 -22.591  1.00 21.38           O  
+ATOM    416  CB  PRO A  53      25.542  -2.563 -25.572  1.00 22.97           C  
+ATOM    417  CG  PRO A  53      24.879  -1.646 -26.583  1.00 22.00           C  
+ATOM    418  CD  PRO A  53      23.654  -1.169 -25.972  1.00 21.84           C  
+ATOM    419  N   LYS A  54      26.569  -0.193 -23.565  1.00 21.87           N  
+ATOM    420  CA  LYS A  54      27.712   0.367 -22.853  1.00 21.49           C  
+ATOM    421  C   LYS A  54      27.440   0.332 -21.349  1.00 21.44           C  
+ATOM    422  O   LYS A  54      28.371   0.388 -20.528  1.00 20.69           O  
+ATOM    423  CB  LYS A  54      27.965   1.803 -23.276  1.00 22.79           C  
+ATOM    424  CG  LYS A  54      29.345   2.276 -22.872  1.00 28.00           C  
+ATOM    425  N   GLN A  55      26.180   0.202 -20.987  1.00 19.49           N  
+ATOM    426  CA  GLN A  55      25.841   0.214 -19.554  1.00 18.45           C  
+ATOM    427  C   GLN A  55      26.484  -0.922 -18.797  1.00 18.80           C  
+ATOM    428  O   GLN A  55      26.635  -0.824 -17.555  1.00 17.82           O  
+ATOM    429  CB  GLN A  55      24.329   0.202 -19.313  1.00 18.52           C  
+ATOM    430  CG  GLN A  55      23.595   1.399 -19.882  1.00 19.34           C  
+ATOM    431  CD  GLN A  55      23.429   2.547 -18.902  1.00 25.19           C  
+ATOM    432  OE1 GLN A  55      23.674   2.392 -17.696  1.00 23.31           O  
+ATOM    433  NE2 GLN A  55      22.977   3.692 -19.397  1.00 23.87           N  
+ATOM    434  N   LEU A  56      26.775  -2.016 -19.475  1.00 17.43           N  
+ATOM    435  CA  LEU A  56      27.393  -3.154 -18.815  1.00 17.45           C  
+ATOM    436  C   LEU A  56      28.878  -2.947 -18.575  1.00 18.38           C  
+ATOM    437  O   LEU A  56      29.459  -3.657 -17.754  1.00 19.36           O  
+ATOM    438  CB  LEU A  56      27.215  -4.428 -19.654  1.00 18.46           C  
+ATOM    439  CG  LEU A  56      25.807  -5.000 -19.689  1.00 18.40           C  
+ATOM    440  CD1 LEU A  56      25.687  -6.068 -20.820  1.00 22.89           C  
+ATOM    441  CD2 LEU A  56      25.490  -5.626 -18.309  1.00 22.83           C  
+ATOM    442  N   GLU A  57      29.500  -2.003 -19.271  1.00 19.23           N  
+ATOM    443  CA  GLU A  57      30.970  -1.890 -19.240  1.00 20.61           C  
+ATOM    444  C   GLU A  57      31.592  -1.561 -17.889  1.00 20.46           C  
+ATOM    445  O   GLU A  57      32.759  -1.873 -17.658  1.00 20.98           O  
+ATOM    446  CB  GLU A  57      31.460  -0.893 -20.293  1.00 22.20           C  
+ATOM    447  CG  GLU A  57      31.153  -1.356 -21.697  1.00 25.86           C  
+ATOM    448  CD  GLU A  57      31.726  -0.397 -22.740  1.00 31.79           C  
+ATOM    449  OE1 GLU A  57      32.596   0.426 -22.388  1.00 35.41           O  
+ATOM    450  OE2 GLU A  57      31.303  -0.472 -23.912  1.00 36.24           O  
+ATOM    451  N   THR A  58      30.803  -0.948 -17.009  1.00 18.87           N  
+ATOM    452  CA  THR A  58      31.323  -0.612 -15.687  1.00 18.57           C  
+ATOM    453  C   THR A  58      31.541  -1.826 -14.833  1.00 17.97           C  
+ATOM    454  O   THR A  58      32.281  -1.768 -13.862  1.00 18.08           O  
+ATOM    455  CB  THR A  58      30.380   0.313 -14.956  1.00 16.87           C  
+ATOM    456  OG1 THR A  58      29.037  -0.104 -15.221  1.00 17.30           O  
+ATOM    457  CG2 THR A  58      30.460   1.693 -15.554  1.00 19.24           C  
+ATOM    458  N   GLU A  59      30.948  -2.952 -15.217  1.00 18.08           N  
+ATOM    459  CA  GLU A  59      31.133  -4.223 -14.512  1.00 17.74           C  
+ATOM    460  C   GLU A  59      30.465  -5.278 -15.358  1.00 18.87           C  
+ATOM    461  O   GLU A  59      29.340  -5.693 -15.107  1.00 18.80           O  
+ATOM    462  CB  GLU A  59      30.446  -4.174 -13.145  1.00 19.29           C  
+ATOM    463  CG  GLU A  59      30.503  -5.516 -12.431  1.00 21.21           C  
+ATOM    464  CD  GLU A  59      31.893  -6.104 -12.433  1.00 24.41           C  
+ATOM    465  OE1 GLU A  59      32.645  -5.796 -11.480  1.00 29.01           O  
+ATOM    466  OE2 GLU A  59      32.256  -6.862 -13.373  1.00 24.34           O  
+ATOM    467  N   PRO A  60      31.236  -5.816 -16.300  1.00 18.63           N  
+ATOM    468  CA  PRO A  60      30.693  -6.771 -17.261  1.00 19.32           C  
+ATOM    469  C   PRO A  60      30.265  -8.084 -16.659  1.00 19.20           C  
+ATOM    470  O   PRO A  60      29.477  -8.800 -17.276  1.00 21.25           O  
+ATOM    471  CB  PRO A  60      31.862  -7.022 -18.236  1.00 19.50           C  
+ATOM    472  CG  PRO A  60      32.881  -6.005 -17.936  1.00 21.70           C  
+ATOM    473  CD  PRO A  60      32.672  -5.526 -16.503  1.00 19.71           C  
+ATOM    474  N   ASP A  61      30.799  -8.435 -15.493  1.00 19.17           N  
+ATOM    475  CA  ASP A  61      30.492  -9.706 -14.826  1.00 19.75           C  
+ATOM    476  C   ASP A  61      29.175  -9.531 -14.026  1.00 19.06           C  
+ATOM    477  O   ASP A  61      29.070  -8.618 -13.213  1.00 19.50           O  
+ATOM    478  CB  ASP A  61      31.634 -10.065 -13.905  1.00 19.45           C  
+ATOM    479  CG  ASP A  61      32.766 -10.796 -14.643  1.00 25.63           C  
+ATOM    480  OD1 ASP A  61      32.480 -11.291 -15.752  1.00 32.09           O  
+ATOM    481  OD2 ASP A  61      33.929 -10.846 -14.225  1.00 30.10           O  
+ATOM    482  N   LEU A  62      28.200 -10.423 -14.281  1.00 17.71           N  
+ATOM    483  CA  LEU A  62      26.872 -10.405 -13.599  1.00 16.84           C  
+ATOM    484  C   LEU A  62      26.811 -11.503 -12.563  1.00 16.65           C  
+ATOM    485  O   LEU A  62      26.804 -12.678 -12.901  1.00 17.45           O  
+ATOM    486  CB  LEU A  62      25.729 -10.553 -14.595  1.00 17.76           C  
+ATOM    487  CG  LEU A  62      25.738  -9.589 -15.774  1.00 19.97           C  
+ATOM    488  CD1 LEU A  62      24.442  -9.721 -16.546  1.00 24.98           C  
+ATOM    489  CD2 LEU A  62      25.902  -8.159 -15.283  1.00 24.27           C  
+ATOM    490  N   PHE A  63      26.773 -11.121 -11.275  1.00 14.60           N  
+ATOM    491  CA  PHE A  63      26.878 -12.095 -10.204  1.00 14.18           C  
+ATOM    492  C   PHE A  63      26.203 -11.611  -8.922  1.00 12.23           C  
+ATOM    493  O   PHE A  63      25.930 -10.413  -8.792  1.00 13.01           O  
+ATOM    494  CB  PHE A  63      28.387 -12.375  -9.875  1.00 14.58           C  
+ATOM    495  CG  PHE A  63      29.150 -11.134  -9.474  1.00 16.43           C  
+ATOM    496  CD1 PHE A  63      29.164 -10.714  -8.140  1.00 17.33           C  
+ATOM    497  CD2 PHE A  63      29.787 -10.349 -10.427  1.00 16.27           C  
+ATOM    498  CE1 PHE A  63      29.830  -9.560  -7.740  1.00 16.94           C  
+ATOM    499  CE2 PHE A  63      30.469  -9.164 -10.042  1.00 15.90           C  
+ATOM    500  CZ  PHE A  63      30.486  -8.768  -8.681  1.00 17.80           C  
+ATOM    501  N   ILE A  64      25.976 -12.569  -8.029  1.00 12.55           N  
+ATOM    502  CA  ILE A  64      25.568 -12.290  -6.654  1.00 13.47           C  
+ATOM    503  C   ILE A  64      26.701 -12.910  -5.817  1.00 14.61           C  
+ATOM    504  O   ILE A  64      27.173 -14.025  -6.103  1.00 15.90           O  
+ATOM    505  CB  ILE A  64      24.233 -12.954  -6.355  1.00 12.93           C  
+ATOM    506  CG1 ILE A  64      23.179 -12.381  -7.293  1.00 12.51           C  
+ATOM    507  CG2 ILE A  64      23.858 -12.751  -4.859  1.00 14.64           C  
+ATOM    508  CD1 ILE A  64      21.821 -13.108  -7.196  1.00 14.58           C  
+ATOM    509  N   ARG A  65      27.182 -12.171  -4.815  1.00 13.37           N  
+ATOM    510  CA  ARG A  65      28.352 -12.627  -4.070  1.00 13.72           C  
+ATOM    511  C   ARG A  65      28.104 -12.417  -2.594  1.00 12.95           C  
+ATOM    512  O   ARG A  65      27.690 -11.334  -2.176  1.00 13.38           O  
+ATOM    513  CB  ARG A  65      29.597 -11.853  -4.532  1.00 13.58           C  
+ATOM    514  CG  ARG A  65      30.881 -12.267  -3.777  1.00 15.26           C  
+ATOM    515  CD  ARG A  65      32.138 -11.550  -4.320  1.00 18.55           C  
+ATOM    516  NE  ARG A  65      32.254 -11.791  -5.760  1.00 20.69           N  
+ATOM    517  CZ  ARG A  65      32.780 -10.952  -6.642  1.00 21.46           C  
+ATOM    518  NH1 ARG A  65      33.317  -9.790  -6.278  1.00 22.25           N  
+ATOM    519  NH2 ARG A  65      32.767 -11.312  -7.921  1.00 22.58           N  
+ATOM    520  N   ILE A  66      28.331 -13.455  -1.800  1.00 12.08           N  
+ATOM    521  CA  ILE A  66      28.068 -13.377  -0.382  1.00 12.85           C  
+ATOM    522  C   ILE A  66      29.415 -13.499   0.344  1.00 13.11           C  
+ATOM    523  O   ILE A  66      30.131 -14.475   0.107  1.00 13.10           O  
+ATOM    524  CB  ILE A  66      27.113 -14.529   0.018  1.00 12.84           C  
+ATOM    525  CG1 ILE A  66      25.767 -14.304  -0.700  1.00 16.82           C  
+ATOM    526  CG2 ILE A  66      26.908 -14.541   1.518  1.00 13.90           C  
+ATOM    527  CD1 ILE A  66      24.900 -15.521  -0.616  1.00 20.38           C  
+ATOM    528  N   THR A  67      29.736 -12.546   1.224  1.00 12.90           N  
+ATOM    529  CA  THR A  67      31.015 -12.476   1.966  1.00 13.50           C  
+ATOM    530  C   THR A  67      30.788 -12.327   3.447  1.00 14.05           C  
+ATOM    531  O   THR A  67      30.462 -11.243   3.934  1.00 12.95           O  
+ATOM    532  CB  THR A  67      31.841 -11.273   1.485  1.00 13.52           C  
+ATOM    533  OG1 THR A  67      32.031 -11.340   0.065  1.00 14.65           O  
+ATOM    534  CG2 THR A  67      33.251 -11.338   2.061  1.00 12.87           C  
+ATOM    535  N   PRO A  68      31.000 -13.388   4.211  1.00 15.08           N  
+ATOM    536  CA  PRO A  68      30.992 -13.205   5.656  1.00 15.99           C  
+ATOM    537  C   PRO A  68      32.274 -12.530   6.125  1.00 16.99           C  
+ATOM    538  O   PRO A  68      33.354 -12.809   5.583  1.00 17.28           O  
+ATOM    539  CB  PRO A  68      30.926 -14.642   6.216  1.00 16.79           C  
+ATOM    540  CG  PRO A  68      31.182 -15.510   5.112  1.00 18.04           C  
+ATOM    541  CD  PRO A  68      31.165 -14.783   3.795  1.00 16.14           C  
+ATOM    542  N   LYS A  69      32.144 -11.632   7.087  1.00 16.62           N  
+ATOM    543  CA  LYS A  69      33.264 -10.931   7.705  1.00 17.18           C  
+ATOM    544  C   LYS A  69      33.165 -11.130   9.206  1.00 18.71           C  
+ATOM    545  O   LYS A  69      32.718 -10.229   9.930  1.00 16.77           O  
+ATOM    546  CB  LYS A  69      33.216  -9.454   7.355  1.00 17.12           C  
+ATOM    547  CG  LYS A  69      33.457  -9.194   5.847  1.00 17.38           C  
+ATOM    548  CD  LYS A  69      33.436  -7.691   5.570  1.00 18.98           C  
+ATOM    549  CE  LYS A  69      33.964  -7.347   4.160  1.00 21.71           C  
+ATOM    550  NZ  LYS A  69      33.957  -5.867   3.919  1.00 22.59           N  
+ATOM    551  N   PRO A  70      33.626 -12.297   9.650  1.00 20.56           N  
+ATOM    552  CA  PRO A  70      33.454 -12.729  11.055  1.00 22.21           C  
+ATOM    553  C   PRO A  70      33.941 -11.728  12.090  1.00 23.44           C  
+ATOM    554  O   PRO A  70      33.165 -11.417  12.995  1.00 24.42           O  
+ATOM    555  CB  PRO A  70      34.241 -14.041  11.107  1.00 22.44           C  
+ATOM    556  CG  PRO A  70      34.290 -14.544   9.686  1.00 24.03           C  
+ATOM    557  CD  PRO A  70      34.316 -13.311   8.836  1.00 20.93           C  
+ATOM    558  N   GLU A  71      35.157 -11.201  11.950  1.00 24.87           N  
+ATOM    559  CA  GLU A  71      35.680 -10.283  12.947  1.00 25.52           C  
+ATOM    560  C   GLU A  71      34.784  -9.077  13.183  1.00 25.63           C  
+ATOM    561  O   GLU A  71      34.666  -8.604  14.296  1.00 26.65           O  
+ATOM    562  CB  GLU A  71      37.086  -9.778  12.558  1.00 27.14           C  
+ATOM    563  N   GLN A  72      34.125  -8.588  12.137  1.00 22.63           N  
+ATOM    564  CA  GLN A  72      33.201  -7.466  12.306  1.00 21.99           C  
+ATOM    565  C   GLN A  72      31.739  -7.891  12.529  1.00 19.55           C  
+ATOM    566  O   GLN A  72      30.891  -7.010  12.685  1.00 20.60           O  
+ATOM    567  CB  GLN A  72      33.262  -6.507  11.115  1.00 22.56           C  
+ATOM    568  CG  GLN A  72      34.685  -6.033  10.771  1.00 27.88           C  
+ATOM    569  CD  GLN A  72      35.270  -6.873   9.650  1.00 33.64           C  
+ATOM    570  OE1 GLN A  72      35.560  -8.056   9.850  1.00 35.29           O  
+ATOM    571  NE2 GLN A  72      35.374  -6.292   8.447  1.00 34.20           N  
+ATOM    572  N   LYS A  73      31.474  -9.193  12.551  1.00 18.63           N  
+ATOM    573  CA  LYS A  73      30.120  -9.693  12.708  1.00 17.46           C  
+ATOM    574  C   LYS A  73      29.261  -9.132  11.621  1.00 15.77           C  
+ATOM    575  O   LYS A  73      28.131  -8.692  11.842  1.00 17.01           O  
+ATOM    576  CB  LYS A  73      29.529  -9.379  14.083  1.00 18.93           C  
+ATOM    577  CG  LYS A  73      30.306 -10.125  15.214  1.00 21.20           C  
+ATOM    578  CD  LYS A  73      29.596  -9.904  16.541  1.00 27.87           C  
+ATOM    579  CE  LYS A  73      29.704  -8.451  16.961  1.00 33.10           C  
+ATOM    580  NZ  LYS A  73      29.351  -8.261  18.413  1.00 38.37           N  
+ATOM    581  N   VAL A  74      29.816  -9.171  10.426  1.00 15.70           N  
+ATOM    582  CA  VAL A  74      29.104  -8.638   9.257  1.00 14.28           C  
+ATOM    583  C   VAL A  74      28.897  -9.686   8.201  1.00 14.18           C  
+ATOM    584  O   VAL A  74      29.743 -10.550   7.976  1.00 15.18           O  
+ATOM    585  CB  VAL A  74      29.954  -7.488   8.690  1.00 15.41           C  
+ATOM    586  CG1 VAL A  74      29.681  -7.238   7.190  1.00 14.46           C  
+ATOM    587  CG2 VAL A  74      29.709  -6.217   9.504  1.00 13.68           C  
+ATOM    588  N   LEU A  75      27.742  -9.644   7.526  1.00 12.63           N  
+ATOM    589  CA  LEU A  75      27.534 -10.477   6.340  1.00 12.81           C  
+ATOM    590  C   LEU A  75      27.226  -9.524   5.179  1.00 12.09           C  
+ATOM    591  O   LEU A  75      26.321  -8.725   5.299  1.00 12.18           O  
+ATOM    592  CB  LEU A  75      26.348 -11.410   6.532  1.00 12.08           C  
+ATOM    593  CG  LEU A  75      26.035 -12.323   5.357  1.00 12.97           C  
+ATOM    594  CD1 LEU A  75      27.205 -13.294   5.066  1.00 14.11           C  
+ATOM    595  CD2 LEU A  75      24.774 -13.090   5.660  1.00 13.64           C  
+ATOM    596  N   GLU A  76      27.993  -9.614   4.078  1.00 11.33           N  
+ATOM    597  CA  GLU A  76      27.719  -8.757   2.900  1.00 11.66           C  
+ATOM    598  C   GLU A  76      27.086  -9.542   1.777  1.00 11.82           C  
+ATOM    599  O   GLU A  76      27.482 -10.667   1.514  1.00 12.57           O  
+ATOM    600  CB  GLU A  76      29.029  -8.139   2.386  1.00 10.43           C  
+ATOM    601  CG  GLU A  76      29.507  -7.032   3.305  1.00 12.82           C  
+ATOM    602  CD  GLU A  76      30.767  -6.341   2.855  1.00 15.10           C  
+ATOM    603  OE1 GLU A  76      31.257  -6.634   1.744  1.00 15.58           O  
+ATOM    604  OE2 GLU A  76      31.262  -5.480   3.620  1.00 15.13           O  
+ATOM    605  N   ILE A  77      26.102  -8.948   1.095  1.00 11.91           N  
+ATOM    606  CA  ILE A  77      25.461  -9.586  -0.071  1.00 13.41           C  
+ATOM    607  C   ILE A  77      25.593  -8.533  -1.154  1.00 12.39           C  
+ATOM    608  O   ILE A  77      24.977  -7.461  -1.093  1.00 12.40           O  
+ATOM    609  CB  ILE A  77      23.993  -9.832   0.176  1.00 14.23           C  
+ATOM    610  CG1 ILE A  77      23.820 -10.889   1.247  1.00 18.68           C  
+ATOM    611  CG2 ILE A  77      23.364 -10.499  -1.037  1.00 16.45           C  
+ATOM    612  CD1 ILE A  77      23.471 -10.294   2.495  1.00 22.52           C  
+ATOM    613  N   ARG A  78      26.367  -8.886  -2.175  1.00 12.30           N  
+ATOM    614  CA  ARG A  78      26.685  -7.951  -3.252  1.00 12.47           C  
+ATOM    615  C   ARG A  78      26.074  -8.444  -4.548  1.00 12.07           C  
+ATOM    616  O   ARG A  78      26.020  -9.640  -4.827  1.00 13.61           O  
+ATOM    617  CB  ARG A  78      28.196  -7.931  -3.428  1.00 12.22           C  
+ATOM    618  CG  ARG A  78      28.699  -7.121  -4.646  1.00 14.93           C  
+ATOM    619  CD  ARG A  78      30.240  -6.831  -4.633  1.00 18.53           C  
+ATOM    620  NE  ARG A  78      30.682  -6.055  -5.800  1.00 17.99           N  
+ATOM    621  CZ  ARG A  78      31.898  -5.693  -5.988  1.00 20.83           C  
+ATOM    622  NH1 ARG A  78      32.840  -6.079  -5.116  1.00 24.76           N  
+ATOM    623  NH2 ARG A  78      32.205  -4.971  -7.055  1.00 25.64           N  
+ATOM    624  N   ASP A  79      25.658  -7.498  -5.371  1.00 11.40           N  
+ATOM    625  CA  ASP A  79      25.303  -7.872  -6.742  1.00 11.41           C  
+ATOM    626  C   ASP A  79      25.909  -6.823  -7.659  1.00 11.19           C  
+ATOM    627  O   ASP A  79      26.249  -5.694  -7.243  1.00 11.62           O  
+ATOM    628  CB  ASP A  79      23.775  -7.954  -6.931  1.00 11.82           C  
+ATOM    629  CG  ASP A  79      23.109  -6.650  -6.688  1.00 10.90           C  
+ATOM    630  OD1 ASP A  79      22.421  -6.453  -5.650  1.00 13.93           O  
+ATOM    631  OD2 ASP A  79      23.192  -5.712  -7.493  1.00 12.45           O  
+ATOM    632  N   SER A  80      26.048  -7.197  -8.924  1.00 12.54           N  
+ATOM    633  CA  SER A  80      26.479  -6.241  -9.949  1.00 12.23           C  
+ATOM    634  C   SER A  80      25.266  -5.801 -10.803  1.00 12.15           C  
+ATOM    635  O   SER A  80      25.356  -5.634 -12.038  1.00 12.77           O  
+ATOM    636  CB  SER A  80      27.593  -6.810 -10.823  1.00 12.57           C  
+ATOM    637  OG  SER A  80      27.229  -8.106 -11.306  1.00 13.60           O  
+ATOM    638  N   GLY A  81      24.132  -5.628 -10.154  1.00 11.30           N  
+ATOM    639  CA  GLY A  81      22.935  -5.097 -10.802  1.00 12.18           C  
+ATOM    640  C   GLY A  81      22.996  -3.634 -11.141  1.00 10.98           C  
+ATOM    641  O   GLY A  81      24.048  -3.016 -11.222  1.00 12.29           O  
+ATOM    642  N   ILE A  82      21.803  -3.073 -11.371  1.00 11.99           N  
+ATOM    643  CA  ILE A  82      21.710  -1.715 -11.871  1.00 13.69           C  
+ATOM    644  C   ILE A  82      22.172  -0.663 -10.848  1.00 12.76           C  
+ATOM    645  O   ILE A  82      22.531   0.450 -11.211  1.00 13.99           O  
+ATOM    646  CB  ILE A  82      20.280  -1.455 -12.388  1.00 14.44           C  
+ATOM    647  CG1 ILE A  82      20.207  -0.140 -13.137  1.00 17.06           C  
+ATOM    648  CG2 ILE A  82      19.294  -1.463 -11.260  1.00 16.36           C  
+ATOM    649  CD1 ILE A  82      19.110  -0.202 -14.201  1.00 19.33           C  
+ATOM    650  N   GLY A  83      22.220  -1.032  -9.562  1.00 12.09           N  
+ATOM    651  CA  GLY A  83      22.608  -0.020  -8.600  1.00 12.95           C  
+ATOM    652  C   GLY A  83      21.503   1.008  -8.337  1.00 13.05           C  
+ATOM    653  O   GLY A  83      20.432   1.031  -8.986  1.00 13.52           O  
+ATOM    654  N   MET A  84      21.794   1.937  -7.424  1.00 11.90           N  
+ATOM    655  CA  MET A  84      20.880   3.012  -7.072  1.00 11.82           C  
+ATOM    656  C   MET A  84      21.658   4.320  -6.913  1.00 12.29           C  
+ATOM    657  O   MET A  84      22.675   4.336  -6.238  1.00 12.49           O  
+ATOM    658  CB  MET A  84      20.185   2.707  -5.728  1.00 12.94           C  
+ATOM    659  CG  MET A  84      19.116   1.619  -5.855  1.00 13.41           C  
+ATOM    660  SD  MET A  84      18.376   1.198  -4.277  1.00 15.75           S  
+ATOM    661  CE  MET A  84      19.571   0.058  -3.679  1.00 17.75           C  
+ATOM    662  N   THR A  85      21.196   5.401  -7.556  1.00 12.06           N  
+ATOM    663  CA  THR A  85      21.726   6.740  -7.329  1.00 11.66           C  
+ATOM    664  C   THR A  85      21.335   7.215  -5.919  1.00 11.75           C  
+ATOM    665  O   THR A  85      20.554   6.575  -5.209  1.00 12.17           O  
+ATOM    666  CB  THR A  85      21.088   7.735  -8.306  1.00 12.16           C  
+ATOM    667  OG1 THR A  85      19.684   7.821  -8.029  1.00 15.14           O  
+ATOM    668  CG2 THR A  85      21.197   7.186  -9.704  1.00 12.35           C  
+ATOM    669  N   LYS A  86      21.916   8.341  -5.495  1.00 12.63           N  
+ATOM    670  CA  LYS A  86      21.531   8.917  -4.213  1.00 13.17           C  
+ATOM    671  C   LYS A  86      20.010   9.078  -4.105  1.00 13.42           C  
+ATOM    672  O   LYS A  86      19.403   8.679  -3.101  1.00 12.88           O  
+ATOM    673  CB  LYS A  86      22.205  10.281  -4.047  1.00 13.11           C  
+ATOM    674  CG  LYS A  86      21.924  10.940  -2.716  1.00 14.52           C  
+ATOM    675  CD  LYS A  86      22.523  12.340  -2.674  1.00 17.44           C  
+ATOM    676  CE  LYS A  86      22.196  12.983  -1.370  1.00 21.81           C  
+ATOM    677  NZ  LYS A  86      22.725  14.374  -1.345  1.00 25.44           N  
+ATOM    678  N   ALA A  87      19.405   9.638  -5.167  1.00 13.68           N  
+ATOM    679  CA  ALA A  87      17.965   9.847  -5.136  1.00 14.26           C  
+ATOM    680  C   ALA A  87      17.188   8.540  -5.080  1.00 13.89           C  
+ATOM    681  O   ALA A  87      16.185   8.484  -4.388  1.00 14.98           O  
+ATOM    682  CB  ALA A  87      17.524  10.660  -6.369  1.00 14.72           C  
+ATOM    683  N   GLU A  88      17.675   7.511  -5.759  1.00 13.78           N  
+ATOM    684  CA  GLU A  88      16.993   6.213  -5.722  1.00 13.30           C  
+ATOM    685  C   GLU A  88      17.121   5.568  -4.357  1.00 12.84           C  
+ATOM    686  O   GLU A  88      16.201   4.899  -3.874  1.00 14.63           O  
+ATOM    687  CB  GLU A  88      17.519   5.291  -6.806  1.00 14.68           C  
+ATOM    688  CG  GLU A  88      17.055   5.749  -8.190  1.00 15.76           C  
+ATOM    689  CD  GLU A  88      17.705   5.029  -9.319  1.00 21.27           C  
+ATOM    690  OE1 GLU A  88      18.862   4.608  -9.227  1.00 15.60           O  
+ATOM    691  OE2 GLU A  88      17.057   4.951 -10.380  1.00 26.24           O  
+ATOM    692  N   LEU A  89      18.282   5.729  -3.719  1.00 12.80           N  
+ATOM    693  CA  LEU A  89      18.410   5.165  -2.378  1.00 12.81           C  
+ATOM    694  C   LEU A  89      17.393   5.780  -1.434  1.00 14.77           C  
+ATOM    695  O   LEU A  89      16.708   5.071  -0.678  1.00 15.82           O  
+ATOM    696  CB  LEU A  89      19.820   5.440  -1.810  1.00 13.17           C  
+ATOM    697  CG  LEU A  89      20.905   4.582  -2.450  1.00 11.59           C  
+ATOM    698  CD1 LEU A  89      22.276   5.147  -2.012  1.00 14.15           C  
+ATOM    699  CD2 LEU A  89      20.828   3.120  -1.998  1.00 12.52           C  
+ATOM    700  N   ILE A  90      17.310   7.104  -1.459  1.00 14.92           N  
+ATOM    701  CA  ILE A  90      16.364   7.816  -0.592  1.00 16.06           C  
+ATOM    702  C   ILE A  90      14.937   7.364  -0.896  1.00 17.30           C  
+ATOM    703  O   ILE A  90      14.174   7.006   0.031  1.00 18.87           O  
+ATOM    704  CB  ILE A  90      16.525   9.287  -0.817  1.00 13.89           C  
+ATOM    705  CG1 ILE A  90      17.930   9.737  -0.379  1.00 16.63           C  
+ATOM    706  CG2 ILE A  90      15.428  10.112  -0.047  1.00 17.66           C  
+ATOM    707  CD1 ILE A  90      18.233  11.173  -0.798  1.00 16.56           C  
+ATOM    708  N   ASN A  91      14.593   7.288  -2.176  1.00 17.39           N  
+ATOM    709  CA  ASN A  91      13.230   6.926  -2.596  1.00 19.23           C  
+ATOM    710  C   ASN A  91      12.907   5.447  -2.401  1.00 19.37           C  
+ATOM    711  O   ASN A  91      11.871   5.096  -1.786  1.00 20.83           O  
+ATOM    712  CB  ASN A  91      13.036   7.331  -4.075  1.00 19.87           C  
+ATOM    713  CG  ASN A  91      11.552   7.244  -4.531  1.00 23.09           C  
+ATOM    714  OD1 ASN A  91      10.662   7.733  -3.840  1.00 26.42           O  
+ATOM    715  ND2 ASN A  91      11.309   6.615  -5.666  1.00 26.08           N  
+ATOM    716  N   ASN A  92      13.749   4.572  -2.928  1.00 17.44           N  
+ATOM    717  CA  ASN A  92      13.468   3.135  -2.893  1.00 18.15           C  
+ATOM    718  C   ASN A  92      13.463   2.565  -1.493  1.00 18.04           C  
+ATOM    719  O   ASN A  92      12.688   1.662  -1.191  1.00 19.98           O  
+ATOM    720  CB  ASN A  92      14.475   2.342  -3.754  1.00 18.82           C  
+ATOM    721  CG  ASN A  92      14.326   2.614  -5.242  1.00 20.94           C  
+ATOM    722  OD1 ASN A  92      13.386   3.298  -5.674  1.00 25.18           O  
+ATOM    723  ND2 ASN A  92      15.294   2.135  -6.029  1.00 20.73           N  
+ATOM    724  N   LEU A  93      14.358   3.069  -0.643  1.00 16.10           N  
+ATOM    725  CA  LEU A  93      14.523   2.480   0.680  1.00 15.44           C  
+ATOM    726  C   LEU A  93      13.815   3.191   1.823  1.00 16.19           C  
+ATOM    727  O   LEU A  93      13.507   2.587   2.866  1.00 16.86           O  
+ATOM    728  CB  LEU A  93      16.009   2.280   0.982  1.00 14.08           C  
+ATOM    729  CG  LEU A  93      16.784   1.547  -0.114  1.00 14.17           C  
+ATOM    730  CD1 LEU A  93      18.242   1.424   0.293  1.00 14.27           C  
+ATOM    731  CD2 LEU A  93      16.203   0.130  -0.341  1.00 17.07           C  
+ATOM    732  N   GLY A  94      13.553   4.485   1.636  1.00 16.50           N  
+ATOM    733  CA  GLY A  94      12.895   5.217   2.682  1.00 18.50           C  
+ATOM    734  C   GLY A  94      11.469   5.677   2.398  1.00 21.34           C  
+ATOM    735  O   GLY A  94      10.821   6.178   3.313  1.00 20.50           O  
+ATOM    736  N   THR A  95      10.982   5.471   1.170  1.00 21.68           N  
+ATOM    737  CA  THR A  95       9.665   5.967   0.745  1.00 24.08           C  
+ATOM    738  C   THR A  95       8.658   4.978   0.095  1.00 23.36           C  
+ATOM    739  O   THR A  95       7.529   4.846   0.561  1.00 23.74           O  
+ATOM    740  CB  THR A  95       9.861   7.053  -0.280  1.00 24.87           C  
+ATOM    741  OG1 THR A  95      10.420   8.204   0.346  1.00 30.63           O  
+ATOM    742  CG2 THR A  95       8.485   7.512  -0.788  1.00 26.23           C  
+ATOM    743  N   ILE A  96       9.057   4.351  -1.014  1.00 24.29           N  
+ATOM    744  CA  ILE A  96       8.121   3.604  -1.874  1.00 24.83           C  
+ATOM    745  C   ILE A  96       7.557   2.364  -1.232  1.00 25.04           C  
+ATOM    746  O   ILE A  96       6.511   1.857  -1.681  1.00 25.75           O  
+ATOM    747  CB  ILE A  96       8.725   3.262  -3.269  1.00 25.27           C  
+ATOM    748  CG1 ILE A  96       9.824   2.200  -3.158  1.00 26.83           C  
+ATOM    749  CG2 ILE A  96       9.204   4.513  -4.009  1.00 26.39           C  
+ATOM    750  CD1 ILE A  96      10.302   1.661  -4.535  1.00 30.12           C  
+ATOM    751  N   ALA A  97       8.227   1.871  -0.190  1.00 23.96           N  
+ATOM    752  CA  ALA A  97       7.738   0.715   0.533  1.00 24.57           C  
+ATOM    753  C   ALA A  97       6.566   0.990   1.471  1.00 24.96           C  
+ATOM    754  O   ALA A  97       6.041   0.065   2.088  1.00 25.75           O  
+ATOM    755  CB  ALA A  97       8.875   0.025   1.288  1.00 23.80           C  
+ATOM    756  N   LYS A  98       6.154   2.247   1.582  1.00 25.53           N  
+ATOM    757  CA  LYS A  98       5.032   2.582   2.445  1.00 26.29           C  
+ATOM    758  C   LYS A  98       3.795   1.692   2.184  1.00 26.96           C  
+ATOM    759  O   LYS A  98       3.263   1.080   3.130  1.00 29.61           O  
+ATOM    760  CB  LYS A  98       4.677   4.065   2.235  1.00 26.01           C  
+ATOM    761  N   SER A  99       3.384   1.544   0.930  1.00 27.94           N  
+ATOM    762  CA  SER A  99       2.134   0.865   0.640  1.00 28.50           C  
+ATOM    763  C   SER A  99       2.224  -0.628   0.967  1.00 27.30           C  
+ATOM    764  O   SER A  99       1.362  -1.197   1.650  1.00 28.11           O  
+ATOM    765  CB  SER A  99       1.751   1.076  -0.817  1.00 29.09           C  
+ATOM    766  OG  SER A  99       2.634   0.326  -1.608  1.00 34.91           O  
+ATOM    767  N   GLY A 100       3.261  -1.278   0.470  1.00 26.28           N  
+ATOM    768  CA  GLY A 100       3.438  -2.686   0.797  1.00 24.97           C  
+ATOM    769  C   GLY A 100       3.518  -2.942   2.296  1.00 23.62           C  
+ATOM    770  O   GLY A 100       2.966  -3.956   2.758  1.00 21.30           O  
+ATOM    771  N   THR A 101       4.247  -2.101   3.042  1.00 22.40           N  
+ATOM    772  CA  THR A 101       4.452  -2.363   4.450  1.00 22.75           C  
+ATOM    773  C   THR A 101       3.108  -2.308   5.168  1.00 22.69           C  
+ATOM    774  O   THR A 101       2.848  -3.130   6.000  1.00 21.58           O  
+ATOM    775  CB  THR A 101       5.524  -1.456   5.212  1.00 23.07           C  
+ATOM    776  OG1 THR A 101       5.133  -0.081   5.240  1.00 25.02           O  
+ATOM    777  CG2 THR A 101       6.892  -1.481   4.505  1.00 22.76           C  
+ATOM    778  N   LYS A 102       2.266  -1.342   4.825  1.00 23.73           N  
+ATOM    779  CA  LYS A 102       0.972  -1.252   5.501  1.00 24.00           C  
+ATOM    780  C   LYS A 102       0.128  -2.505   5.307  1.00 23.10           C  
+ATOM    781  O   LYS A 102      -0.338  -3.128   6.275  1.00 23.57           O  
+ATOM    782  CB  LYS A 102       0.197   0.005   5.080  1.00 24.94           C  
+ATOM    783  CG  LYS A 102      -0.912   0.322   6.059  1.00 27.73           C  
+ATOM    784  N   ALA A 103      -0.038  -2.901   4.058  1.00 22.87           N  
+ATOM    785  CA  ALA A 103      -0.783  -4.105   3.754  1.00 20.64           C  
+ATOM    786  C   ALA A 103      -0.167  -5.351   4.402  1.00 19.07           C  
+ATOM    787  O   ALA A 103      -0.866  -6.213   4.882  1.00 19.19           O  
+ATOM    788  CB  ALA A 103      -0.895  -4.281   2.247  1.00 22.95           C  
+ATOM    789  N   PHE A 104       1.152  -5.450   4.392  1.00 17.13           N  
+ATOM    790  CA  PHE A 104       1.797  -6.616   5.017  1.00 15.24           C  
+ATOM    791  C   PHE A 104       1.565  -6.636   6.531  1.00 15.56           C  
+ATOM    792  O   PHE A 104       1.351  -7.710   7.101  1.00 15.96           O  
+ATOM    793  CB  PHE A 104       3.307  -6.586   4.736  1.00 15.70           C  
+ATOM    794  CG  PHE A 104       4.035  -7.726   5.317  1.00 12.43           C  
+ATOM    795  CD1 PHE A 104       3.633  -9.044   5.046  1.00 16.27           C  
+ATOM    796  CD2 PHE A 104       5.136  -7.515   6.126  1.00 14.81           C  
+ATOM    797  CE1 PHE A 104       4.373 -10.105   5.622  1.00 15.60           C  
+ATOM    798  CE2 PHE A 104       5.859  -8.562   6.662  1.00 17.55           C  
+ATOM    799  CZ  PHE A 104       5.459  -9.848   6.421  1.00 15.62           C  
+ATOM    800  N   MET A 105       1.636  -5.487   7.193  1.00 16.45           N  
+ATOM    801  CA  MET A 105       1.397  -5.502   8.624  1.00 16.05           C  
+ATOM    802  C   MET A 105      -0.005  -5.915   8.979  1.00 16.91           C  
+ATOM    803  O   MET A 105      -0.195  -6.553  10.014  1.00 17.10           O  
+ATOM    804  CB  MET A 105       1.674  -4.131   9.237  1.00 16.66           C  
+ATOM    805  CG  MET A 105       3.154  -3.834   9.195  1.00 17.35           C  
+ATOM    806  SD  MET A 105       3.589  -2.287  10.105  1.00 20.19           S  
+ATOM    807  CE  MET A 105       3.020  -1.198   9.041  1.00 17.97           C  
+ATOM    808  N   GLU A 106      -0.963  -5.543   8.153  1.00 16.85           N  
+ATOM    809  CA  GLU A 106      -2.355  -5.959   8.400  1.00 18.32           C  
+ATOM    810  C   GLU A 106      -2.448  -7.474   8.236  1.00 19.34           C  
+ATOM    811  O   GLU A 106      -3.151  -8.162   9.011  1.00 20.11           O  
+ATOM    812  CB  GLU A 106      -3.285  -5.248   7.461  1.00 20.07           C  
+ATOM    813  CG  GLU A 106      -3.339  -3.746   7.749  1.00 24.58           C  
+ATOM    814  CD  GLU A 106      -4.107  -2.973   6.697  1.00 33.23           C  
+ATOM    815  OE1 GLU A 106      -4.212  -3.460   5.564  1.00 37.02           O  
+ATOM    816  OE2 GLU A 106      -4.598  -1.863   7.009  1.00 40.23           O  
+ATOM    817  N   ALA A 107      -1.752  -8.008   7.223  1.00 17.43           N  
+ATOM    818  CA  ALA A 107      -1.713  -9.451   7.062  1.00 18.02           C  
+ATOM    819  C   ALA A 107      -1.063 -10.143   8.263  1.00 18.06           C  
+ATOM    820  O   ALA A 107      -1.566 -11.164   8.713  1.00 17.92           O  
+ATOM    821  CB  ALA A 107      -1.043  -9.873   5.687  1.00 16.98           C  
+ATOM    822  N   LEU A 108       0.048  -9.594   8.774  1.00 17.66           N  
+ATOM    823  CA  LEU A 108       0.709 -10.140   9.943  1.00 18.18           C  
+ATOM    824  C   LEU A 108      -0.296 -10.140  11.088  1.00 18.32           C  
+ATOM    825  O   LEU A 108      -0.379 -11.116  11.836  1.00 19.56           O  
+ATOM    826  CB  LEU A 108       1.927  -9.300  10.337  1.00 17.94           C  
+ATOM    827  CG  LEU A 108       3.133  -9.495   9.400  1.00 18.20           C  
+ATOM    828  CD1 LEU A 108       4.257  -8.547   9.875  1.00 18.57           C  
+ATOM    829  CD2 LEU A 108       3.635 -10.934   9.401  1.00 18.81           C  
+ATOM    830  N   SER A 109      -1.070  -9.074  11.216  1.00 20.01           N  
+ATOM    831  CA  SER A 109      -2.043  -8.976  12.305  1.00 22.25           C  
+ATOM    832  C   SER A 109      -2.966 -10.179  12.323  1.00 22.34           C  
+ATOM    833  O   SER A 109      -3.370 -10.694  13.373  1.00 23.41           O  
+ATOM    834  CB  SER A 109      -2.941  -7.764  12.101  1.00 22.88           C  
+ATOM    835  OG  SER A 109      -2.353  -6.599  12.613  1.00 32.91           O  
+ATOM    836  N   ALA A 110      -3.328 -10.606  11.125  1.00 20.39           N  
+ATOM    837  CA  ALA A 110      -4.329 -11.661  10.944  1.00 19.69           C  
+ATOM    838  C   ALA A 110      -3.761 -13.035  11.043  1.00 18.67           C  
+ATOM    839  O   ALA A 110      -4.513 -14.000  11.115  1.00 18.31           O  
+ATOM    840  CB  ALA A 110      -5.006 -11.482   9.605  1.00 19.26           C  
+ATOM    841  N   GLY A 111      -2.439 -13.156  11.008  1.00 18.14           N  
+ATOM    842  CA  GLY A 111      -1.787 -14.427  11.142  1.00 18.32           C  
+ATOM    843  C   GLY A 111      -0.861 -14.850  10.012  1.00 18.35           C  
+ATOM    844  O   GLY A 111      -0.348 -15.956  10.039  1.00 19.03           O  
+ATOM    845  N   ALA A 112      -0.649 -13.979   9.030  1.00 18.07           N  
+ATOM    846  CA  ALA A 112       0.240 -14.351   7.924  1.00 18.40           C  
+ATOM    847  C   ALA A 112       1.625 -14.688   8.387  1.00 18.93           C  
+ATOM    848  O   ALA A 112       2.150 -14.097   9.345  1.00 19.67           O  
+ATOM    849  CB  ALA A 112       0.328 -13.200   6.897  1.00 17.74           C  
+ATOM    850  N   ASP A 113       2.260 -15.618   7.687  1.00 18.09           N  
+ATOM    851  CA  ASP A 113       3.626 -15.920   8.018  1.00 19.25           C  
+ATOM    852  C   ASP A 113       4.546 -14.772   7.577  1.00 18.36           C  
+ATOM    853  O   ASP A 113       4.378 -14.226   6.485  1.00 17.77           O  
+ATOM    854  CB  ASP A 113       4.060 -17.172   7.310  1.00 19.74           C  
+ATOM    855  CG  ASP A 113       5.240 -17.775   7.970  1.00 24.85           C  
+ATOM    856  OD1 ASP A 113       6.346 -17.479   7.535  1.00 22.56           O  
+ATOM    857  OD2 ASP A 113       5.156 -18.468   9.018  1.00 27.45           O  
+ATOM    858  N   VAL A 114       5.518 -14.445   8.428  1.00 17.96           N  
+ATOM    859  CA  VAL A 114       6.497 -13.414   8.090  1.00 17.23           C  
+ATOM    860  C   VAL A 114       7.140 -13.722   6.733  1.00 17.60           C  
+ATOM    861  O   VAL A 114       7.547 -12.806   6.010  1.00 18.67           O  
+ATOM    862  CB  VAL A 114       7.578 -13.337   9.170  1.00 17.85           C  
+ATOM    863  CG1 VAL A 114       8.697 -12.396   8.764  1.00 19.83           C  
+ATOM    864  CG2 VAL A 114       6.941 -12.860  10.496  1.00 19.01           C  
+ATOM    865  N   SER A 115       7.224 -15.001   6.374  1.00 18.40           N  
+ATOM    866  CA  SER A 115       7.821 -15.348   5.085  1.00 17.85           C  
+ATOM    867  C   SER A 115       7.079 -14.833   3.860  1.00 18.23           C  
+ATOM    868  O   SER A 115       7.637 -14.828   2.753  1.00 18.81           O  
+ATOM    869  CB  SER A 115       8.085 -16.864   4.966  1.00 20.01           C  
+ATOM    870  OG  SER A 115       6.840 -17.553   4.814  1.00 21.84           O  
+ATOM    871  N   MET A 116       5.851 -14.351   4.028  1.00 16.17           N  
+ATOM    872  CA  MET A 116       5.127 -13.736   2.907  1.00 17.38           C  
+ATOM    873  C   MET A 116       5.633 -12.347   2.526  1.00 16.07           C  
+ATOM    874  O   MET A 116       5.161 -11.755   1.558  1.00 16.26           O  
+ATOM    875  CB  MET A 116       3.609 -13.569   3.196  1.00 17.66           C  
+ATOM    876  CG  MET A 116       2.908 -14.852   3.385  1.00 20.83           C  
+ATOM    877  SD  MET A 116       1.111 -14.572   3.322  1.00 21.11           S  
+ATOM    878  CE  MET A 116       0.900 -14.117   1.605  1.00 23.57           C  
+ATOM    879  N   ILE A 117       6.594 -11.836   3.299  1.00 14.75           N  
+ATOM    880  CA  ILE A 117       6.991 -10.440   3.148  1.00 14.73           C  
+ATOM    881  C   ILE A 117       7.344 -10.075   1.707  1.00 14.23           C  
+ATOM    882  O   ILE A 117       7.001  -8.990   1.254  1.00 14.16           O  
+ATOM    883  CB  ILE A 117       8.138 -10.142   4.152  1.00 14.11           C  
+ATOM    884  CG1 ILE A 117       8.460  -8.635   4.138  1.00 14.31           C  
+ATOM    885  CG2 ILE A 117       9.387 -11.012   3.819  1.00 15.85           C  
+ATOM    886  CD1 ILE A 117       9.432  -8.242   5.282  1.00 16.35           C  
+ATOM    887  N   GLY A 118       7.994 -10.965   0.972  1.00 14.99           N  
+ATOM    888  CA  GLY A 118       8.356 -10.665  -0.402  1.00 15.09           C  
+ATOM    889  C   GLY A 118       7.184 -10.487  -1.349  1.00 14.91           C  
+ATOM    890  O   GLY A 118       7.254  -9.725  -2.321  1.00 15.86           O  
+ATOM    891  N   GLN A 119       6.104 -11.188  -1.064  1.00 15.37           N  
+ATOM    892  CA  GLN A 119       4.913 -11.056  -1.874  1.00 14.86           C  
+ATOM    893  C   GLN A 119       4.236  -9.711  -1.706  1.00 15.71           C  
+ATOM    894  O   GLN A 119       3.385  -9.317  -2.511  1.00 15.27           O  
+ATOM    895  CB  GLN A 119       3.965 -12.214  -1.563  1.00 16.40           C  
+ATOM    896  CG  GLN A 119       4.536 -13.508  -2.118  1.00 19.15           C  
+ATOM    897  CD  GLN A 119       3.744 -14.681  -1.658  1.00 21.60           C  
+ATOM    898  OE1 GLN A 119       4.176 -15.431  -0.762  1.00 26.29           O  
+ATOM    899  NE2 GLN A 119       2.591 -14.874  -2.271  1.00 22.22           N  
+ATOM    900  N   PHE A 120       4.622  -8.987  -0.661  1.00 14.82           N  
+ATOM    901  CA  PHE A 120       4.105  -7.645  -0.472  1.00 15.03           C  
+ATOM    902  C   PHE A 120       5.119  -6.606  -0.940  1.00 14.90           C  
+ATOM    903  O   PHE A 120       4.912  -5.405  -0.786  1.00 15.91           O  
+ATOM    904  CB  PHE A 120       3.704  -7.373   0.980  1.00 15.26           C  
+ATOM    905  CG  PHE A 120       2.469  -8.130   1.416  1.00 15.54           C  
+ATOM    906  CD1 PHE A 120       2.506  -9.485   1.695  1.00 16.82           C  
+ATOM    907  CD2 PHE A 120       1.266  -7.434   1.553  1.00 16.43           C  
+ATOM    908  CE1 PHE A 120       1.359 -10.164   2.092  1.00 17.87           C  
+ATOM    909  CE2 PHE A 120       0.118  -8.112   1.945  1.00 15.19           C  
+ATOM    910  CZ  PHE A 120       0.164  -9.453   2.221  1.00 18.18           C  
+ATOM    911  N   GLY A 121       6.227  -7.082  -1.502  1.00 15.65           N  
+ATOM    912  CA  GLY A 121       7.189  -6.198  -2.151  1.00 15.90           C  
+ATOM    913  C   GLY A 121       8.142  -5.481  -1.207  1.00 15.39           C  
+ATOM    914  O   GLY A 121       8.834  -4.497  -1.597  1.00 17.26           O  
+ATOM    915  N   VAL A 122       8.186  -5.963   0.027  1.00 14.54           N  
+ATOM    916  CA  VAL A 122       8.973  -5.299   1.065  1.00 13.51           C  
+ATOM    917  C   VAL A 122       9.974  -6.233   1.746  1.00 13.20           C  
+ATOM    918  O   VAL A 122      10.370  -6.040   2.894  1.00 12.82           O  
+ATOM    919  CB  VAL A 122       8.059  -4.558   2.102  1.00 12.77           C  
+ATOM    920  CG1 VAL A 122       7.341  -3.384   1.451  1.00 16.38           C  
+ATOM    921  CG2 VAL A 122       7.053  -5.538   2.781  1.00 12.77           C  
+ATOM    922  N   GLY A 123      10.349  -7.302   1.037  1.00 13.26           N  
+ATOM    923  CA  GLY A 123      11.315  -8.257   1.538  1.00 13.10           C  
+ATOM    924  C   GLY A 123      12.658  -7.737   2.017  1.00 11.65           C  
+ATOM    925  O   GLY A 123      13.277  -8.370   2.820  1.00 13.24           O  
+ATOM    926  N   PHE A 124      13.051  -6.559   1.539  1.00 12.17           N  
+ATOM    927  CA  PHE A 124      14.313  -5.977   1.938  1.00 11.79           C  
+ATOM    928  C   PHE A 124      14.381  -5.876   3.451  1.00 12.06           C  
+ATOM    929  O   PHE A 124      15.415  -6.195   4.081  1.00 12.37           O  
+ATOM    930  CB  PHE A 124      14.441  -4.551   1.341  1.00 11.10           C  
+ATOM    931  CG  PHE A 124      15.526  -3.714   1.954  1.00 12.28           C  
+ATOM    932  CD1 PHE A 124      16.873  -3.983   1.732  1.00 13.16           C  
+ATOM    933  CD2 PHE A 124      15.183  -2.635   2.731  1.00 14.28           C  
+ATOM    934  CE1 PHE A 124      17.881  -3.184   2.290  1.00 14.04           C  
+ATOM    935  CE2 PHE A 124      16.189  -1.782   3.271  1.00 15.55           C  
+ATOM    936  CZ  PHE A 124      17.554  -2.078   3.048  1.00 14.12           C  
+ATOM    937  N   TYR A 125      13.241  -5.521   4.070  1.00 12.61           N  
+ATOM    938  CA  TYR A 125      13.256  -5.251   5.486  1.00 10.90           C  
+ATOM    939  C   TYR A 125      13.344  -6.487   6.363  1.00 12.09           C  
+ATOM    940  O   TYR A 125      13.611  -6.366   7.575  1.00 12.99           O  
+ATOM    941  CB  TYR A 125      12.052  -4.369   5.856  1.00 11.74           C  
+ATOM    942  CG  TYR A 125      12.054  -3.053   5.072  1.00 11.42           C  
+ATOM    943  CD1 TYR A 125      11.284  -2.915   3.927  1.00 13.77           C  
+ATOM    944  CD2 TYR A 125      12.844  -1.994   5.464  1.00 11.61           C  
+ATOM    945  CE1 TYR A 125      11.302  -1.781   3.182  1.00 12.78           C  
+ATOM    946  CE2 TYR A 125      12.876  -0.806   4.692  1.00 11.71           C  
+ATOM    947  CZ  TYR A 125      12.093  -0.729   3.560  1.00 12.11           C  
+ATOM    948  OH  TYR A 125      12.105   0.412   2.785  1.00 16.17           O  
+ATOM    949  N   SER A 126      13.226  -7.650   5.716  1.00 12.39           N  
+ATOM    950  CA  SER A 126      13.437  -8.907   6.426  1.00 12.52           C  
+ATOM    951  C   SER A 126      14.868  -9.036   6.955  1.00 12.05           C  
+ATOM    952  O   SER A 126      15.132  -9.859   7.804  1.00 12.66           O  
+ATOM    953  CB  SER A 126      13.090 -10.110   5.533  1.00 13.27           C  
+ATOM    954  OG  SER A 126      14.079 -10.320   4.527  1.00 14.42           O  
+ATOM    955  N   LEU A 127      15.808  -8.214   6.478  1.00 11.81           N  
+ATOM    956  CA  LEU A 127      17.153  -8.298   7.016  1.00 11.81           C  
+ATOM    957  C   LEU A 127      17.170  -8.029   8.516  1.00 12.38           C  
+ATOM    958  O   LEU A 127      18.076  -8.480   9.195  1.00 13.12           O  
+ATOM    959  CB  LEU A 127      18.070  -7.336   6.229  1.00 12.61           C  
+ATOM    960  CG  LEU A 127      17.792  -5.838   6.433  1.00 12.21           C  
+ATOM    961  CD1 LEU A 127      18.592  -5.273   7.599  1.00 12.07           C  
+ATOM    962  CD2 LEU A 127      18.305  -5.102   5.180  1.00 13.15           C  
+ATOM    963  N   PHE A 128      16.174  -7.290   9.045  1.00 12.36           N  
+ATOM    964  CA  PHE A 128      16.189  -7.023  10.467  1.00 13.30           C  
+ATOM    965  C   PHE A 128      15.818  -8.205  11.353  1.00 14.18           C  
+ATOM    966  O   PHE A 128      15.901  -8.110  12.577  1.00 16.00           O  
+ATOM    967  CB  PHE A 128      15.291  -5.799  10.752  1.00 12.70           C  
+ATOM    968  CG  PHE A 128      15.910  -4.506  10.274  1.00 14.40           C  
+ATOM    969  CD1 PHE A 128      15.381  -3.822   9.178  1.00 13.24           C  
+ATOM    970  CD2 PHE A 128      17.037  -4.005  10.899  1.00 13.66           C  
+ATOM    971  CE1 PHE A 128      15.929  -2.609   8.757  1.00 14.00           C  
+ATOM    972  CE2 PHE A 128      17.628  -2.792  10.480  1.00 14.46           C  
+ATOM    973  CZ  PHE A 128      17.059  -2.093   9.404  1.00 13.48           C  
+ATOM    974  N   LEU A 129      15.503  -9.334  10.708  1.00 14.40           N  
+ATOM    975  CA  LEU A 129      15.371 -10.575  11.479  1.00 14.30           C  
+ATOM    976  C   LEU A 129      16.734 -10.997  12.025  1.00 16.03           C  
+ATOM    977  O   LEU A 129      16.825 -11.571  13.112  1.00 17.98           O  
+ATOM    978  CB  LEU A 129      14.838 -11.708  10.624  1.00 14.56           C  
+ATOM    979  CG  LEU A 129      13.440 -11.556  10.079  1.00 13.73           C  
+ATOM    980  CD1 LEU A 129      13.081 -12.595   8.995  1.00 16.03           C  
+ATOM    981  CD2 LEU A 129      12.412 -11.653  11.254  1.00 16.08           C  
+ATOM    982  N   VAL A 130      17.792 -10.748  11.259  1.00 14.45           N  
+ATOM    983  CA  VAL A 130      19.117 -11.184  11.691  1.00 14.98           C  
+ATOM    984  C   VAL A 130      20.078 -10.100  11.985  1.00 14.24           C  
+ATOM    985  O   VAL A 130      21.122 -10.342  12.599  1.00 15.26           O  
+ATOM    986  CB  VAL A 130      19.730 -12.196  10.689  1.00 14.03           C  
+ATOM    987  CG1 VAL A 130      18.851 -13.459  10.517  1.00 15.29           C  
+ATOM    988  CG2 VAL A 130      19.945 -11.538   9.310  1.00 16.29           C  
+ATOM    989  N   ALA A 131      19.784  -8.869  11.553  1.00 14.48           N  
+ATOM    990  CA  ALA A 131      20.678  -7.757  11.702  1.00 14.40           C  
+ATOM    991  C   ALA A 131      20.058  -6.614  12.477  1.00 14.37           C  
+ATOM    992  O   ALA A 131      18.855  -6.380  12.392  1.00 15.60           O  
+ATOM    993  CB  ALA A 131      21.130  -7.228  10.304  1.00 14.33           C  
+ATOM    994  N   ASP A 132      20.884  -5.869  13.211  1.00 15.35           N  
+ATOM    995  CA  ASP A 132      20.357  -4.683  13.865  1.00 17.16           C  
+ATOM    996  C   ASP A 132      20.747  -3.398  13.209  1.00 16.38           C  
+ATOM    997  O   ASP A 132      20.398  -2.334  13.681  1.00 17.74           O  
+ATOM    998  CB  ASP A 132      20.656  -4.629  15.351  1.00 20.69           C  
+ATOM    999  CG  ASP A 132      22.082  -4.697  15.644  1.00 23.97           C  
+ATOM   1000  OD1 ASP A 132      22.409  -4.925  16.844  1.00 33.27           O  
+ATOM   1001  OD2 ASP A 132      22.975  -4.567  14.804  1.00 28.92           O  
+ATOM   1002  N   ARG A 133      21.471  -3.483  12.107  1.00 14.83           N  
+ATOM   1003  CA  ARG A 133      21.932  -2.290  11.416  1.00 14.59           C  
+ATOM   1004  C   ARG A 133      22.352  -2.758  10.026  1.00 13.64           C  
+ATOM   1005  O   ARG A 133      22.753  -3.918   9.849  1.00 13.27           O  
+ATOM   1006  CB  ARG A 133      23.117  -1.683  12.173  1.00 15.99           C  
+ATOM   1007  CG  ARG A 133      23.981  -0.749  11.393  1.00 21.03           C  
+ATOM   1008  CD  ARG A 133      24.930   0.025  12.311  1.00 27.88           C  
+ATOM   1009  NE  ARG A 133      26.010   0.754  11.652  1.00 35.17           N  
+ATOM   1010  CZ  ARG A 133      27.244   0.773  12.113  1.00 37.25           C  
+ATOM   1011  NH1 ARG A 133      27.545   0.109  13.219  1.00 39.70           N  
+ATOM   1012  NH2 ARG A 133      28.181   1.464  11.480  1.00 39.55           N  
+ATOM   1013  N   VAL A 134      22.182  -1.876   9.043  1.00 12.91           N  
+ATOM   1014  CA  VAL A 134      22.540  -2.210   7.654  1.00 12.96           C  
+ATOM   1015  C   VAL A 134      23.084  -0.982   6.995  1.00 12.61           C  
+ATOM   1016  O   VAL A 134      22.608   0.129   7.221  1.00 11.97           O  
+ATOM   1017  CB  VAL A 134      21.305  -2.756   6.845  1.00 12.06           C  
+ATOM   1018  CG1 VAL A 134      20.112  -1.829   6.944  1.00 13.31           C  
+ATOM   1019  CG2 VAL A 134      21.725  -3.061   5.384  1.00 12.39           C  
+ATOM   1020  N   GLN A 135      24.114  -1.191   6.170  1.00 11.84           N  
+ATOM   1021  CA  GLN A 135      24.572  -0.158   5.228  1.00 11.12           C  
+ATOM   1022  C   GLN A 135      24.289  -0.716   3.866  1.00 11.42           C  
+ATOM   1023  O   GLN A 135      24.680  -1.862   3.558  1.00 12.71           O  
+ATOM   1024  CB  GLN A 135      26.086   0.110   5.346  1.00 11.86           C  
+ATOM   1025  CG  GLN A 135      26.399   0.850   6.631  1.00 11.99           C  
+ATOM   1026  CD  GLN A 135      27.864   0.923   6.941  1.00 15.51           C  
+ATOM   1027  OE1 GLN A 135      28.688   0.363   6.212  1.00 17.56           O  
+ATOM   1028  NE2 GLN A 135      28.200   1.637   8.011  1.00 17.38           N  
+ATOM   1029  N   VAL A 136      23.583   0.089   3.065  1.00 10.51           N  
+ATOM   1030  CA  VAL A 136      23.412  -0.270   1.655  1.00 10.22           C  
+ATOM   1031  C   VAL A 136      24.414   0.587   0.880  1.00 10.45           C  
+ATOM   1032  O   VAL A 136      24.297   1.823   0.884  1.00 11.81           O  
+ATOM   1033  CB  VAL A 136      21.988   0.028   1.175  1.00 10.63           C  
+ATOM   1034  CG1 VAL A 136      21.855  -0.304  -0.316  1.00 11.56           C  
+ATOM   1035  CG2 VAL A 136      21.066  -0.944   1.920  1.00 11.39           C  
+ATOM   1036  N   ILE A 137      25.410  -0.025   0.237  1.00  9.29           N  
+ATOM   1037  CA  ILE A 137      26.435   0.766  -0.476  1.00  9.26           C  
+ATOM   1038  C   ILE A 137      26.097   0.576  -1.953  1.00  9.73           C  
+ATOM   1039  O   ILE A 137      25.981  -0.547  -2.389  1.00 11.17           O  
+ATOM   1040  CB  ILE A 137      27.815   0.161  -0.135  1.00 10.17           C  
+ATOM   1041  CG1 ILE A 137      28.076   0.224   1.369  1.00 13.01           C  
+ATOM   1042  CG2 ILE A 137      28.929   0.908  -0.892  1.00 12.24           C  
+ATOM   1043  CD1 ILE A 137      29.027  -0.863   1.855  1.00 15.67           C  
+ATOM   1044  N   SER A 138      25.924   1.656  -2.713  1.00 10.35           N  
+ATOM   1045  CA  SER A 138      25.430   1.372  -4.067  1.00 10.59           C  
+ATOM   1046  C   SER A 138      26.091   2.324  -5.063  1.00 10.49           C  
+ATOM   1047  O   SER A 138      26.434   3.480  -4.747  1.00 11.13           O  
+ATOM   1048  CB  SER A 138      23.906   1.535  -4.128  1.00 11.33           C  
+ATOM   1049  OG  SER A 138      23.431   0.978  -5.364  1.00 11.76           O  
+ATOM   1050  N   LYS A 139      26.282   1.795  -6.272  1.00 11.83           N  
+ATOM   1051  CA  LYS A 139      26.852   2.592  -7.377  1.00 11.77           C  
+ATOM   1052  C   LYS A 139      26.033   2.331  -8.623  1.00 11.53           C  
+ATOM   1053  O   LYS A 139      26.058   1.231  -9.196  1.00 11.60           O  
+ATOM   1054  CB  LYS A 139      28.299   2.160  -7.636  1.00 11.42           C  
+ATOM   1055  CG  LYS A 139      28.970   2.869  -8.863  1.00 13.16           C  
+ATOM   1056  CD  LYS A 139      29.260   4.337  -8.571  1.00 11.65           C  
+ATOM   1057  CE  LYS A 139      30.021   4.999  -9.718  1.00 12.90           C  
+ATOM   1058  NZ  LYS A 139      29.180   5.080 -10.968  1.00 13.92           N  
+ATOM   1059  N   SER A 140      25.298   3.357  -9.007  1.00 12.77           N  
+ATOM   1060  CA  SER A 140      24.576   3.311 -10.284  1.00 12.20           C  
+ATOM   1061  C   SER A 140      25.507   3.928 -11.343  1.00 13.94           C  
+ATOM   1062  O   SER A 140      26.323   4.784 -11.020  1.00 13.76           O  
+ATOM   1063  CB  SER A 140      23.339   4.164 -10.150  1.00 12.31           C  
+ATOM   1064  OG  SER A 140      22.818   4.522 -11.473  1.00 16.30           O  
+ATOM   1065  N   ASN A 141      25.373   3.539 -12.620  1.00 14.28           N  
+ATOM   1066  CA  ASN A 141      26.179   4.219 -13.636  1.00 15.29           C  
+ATOM   1067  C   ASN A 141      25.876   5.715 -13.687  1.00 16.59           C  
+ATOM   1068  O   ASN A 141      26.684   6.481 -14.234  1.00 18.54           O  
+ATOM   1069  CB  ASN A 141      25.882   3.646 -15.030  1.00 15.40           C  
+ATOM   1070  CG  ASN A 141      26.390   2.240 -15.203  1.00 16.22           C  
+ATOM   1071  OD1 ASN A 141      27.303   1.803 -14.487  1.00 17.13           O  
+ATOM   1072  ND2 ASN A 141      25.842   1.511 -16.171  1.00 15.29           N  
+ATOM   1073  N   ASP A 142      24.763   6.132 -13.093  1.00 17.60           N  
+ATOM   1074  CA  ASP A 142      24.325   7.522 -13.211  1.00 17.95           C  
+ATOM   1075  C   ASP A 142      24.679   8.426 -12.040  1.00 17.82           C  
+ATOM   1076  O   ASP A 142      24.252   9.565 -11.993  1.00 18.62           O  
+ATOM   1077  CB  ASP A 142      22.829   7.560 -13.477  1.00 20.29           C  
+ATOM   1078  CG  ASP A 142      22.469   6.840 -14.784  1.00 26.11           C  
+ATOM   1079  OD1 ASP A 142      23.072   7.183 -15.817  1.00 34.44           O  
+ATOM   1080  OD2 ASP A 142      21.614   5.935 -14.887  1.00 33.53           O  
+ATOM   1081  N   ASP A 143      25.417   7.889 -11.068  1.00 15.65           N  
+ATOM   1082  CA  ASP A 143      25.807   8.697  -9.911  1.00 14.48           C  
+ATOM   1083  C   ASP A 143      27.077   8.146  -9.299  1.00 14.33           C  
+ATOM   1084  O   ASP A 143      27.645   7.156  -9.754  1.00 15.08           O  
+ATOM   1085  CB  ASP A 143      24.674   8.641  -8.885  1.00 15.37           C  
+ATOM   1086  CG  ASP A 143      24.581   9.868  -7.993  1.00 14.41           C  
+ATOM   1087  OD1 ASP A 143      25.488  10.753  -7.985  1.00 16.01           O  
+ATOM   1088  OD2 ASP A 143      23.594  10.019  -7.219  1.00 16.07           O  
+ATOM   1089  N   GLU A 144      27.556   8.870  -8.297  1.00 13.68           N  
+ATOM   1090  CA  GLU A 144      28.674   8.448  -7.466  1.00 14.39           C  
+ATOM   1091  C   GLU A 144      28.258   7.333  -6.531  1.00 12.46           C  
+ATOM   1092  O   GLU A 144      27.065   7.035  -6.379  1.00 13.58           O  
+ATOM   1093  CB  GLU A 144      29.190   9.620  -6.628  1.00 15.81           C  
+ATOM   1094  CG  GLU A 144      29.552  10.823  -7.485  1.00 22.32           C  
+ATOM   1095  CD  GLU A 144      30.789  10.614  -8.323  1.00 30.85           C  
+ATOM   1096  OE1 GLU A 144      31.501   9.603  -8.147  1.00 32.36           O  
+ATOM   1097  OE2 GLU A 144      31.083  11.505  -9.160  1.00 38.81           O  
+ATOM   1098  N   GLN A 145      29.246   6.714  -5.872  1.00 12.73           N  
+ATOM   1099  CA  GLN A 145      28.953   5.645  -4.893  1.00 11.60           C  
+ATOM   1100  C   GLN A 145      28.484   6.288  -3.589  1.00 12.06           C  
+ATOM   1101  O   GLN A 145      29.123   7.225  -3.105  1.00 12.85           O  
+ATOM   1102  CB  GLN A 145      30.227   4.811  -4.637  1.00 10.86           C  
+ATOM   1103  CG  GLN A 145      29.994   3.570  -3.770  1.00 10.90           C  
+ATOM   1104  CD  GLN A 145      31.125   2.581  -3.915  1.00 12.71           C  
+ATOM   1105  OE1 GLN A 145      31.530   2.220  -5.032  1.00 13.38           O  
+ATOM   1106  NE2 GLN A 145      31.668   2.135  -2.759  1.00 11.17           N  
+ATOM   1107  N   TYR A 146      27.371   5.777  -3.042  1.00 11.72           N  
+ATOM   1108  CA  TYR A 146      26.768   6.315  -1.805  1.00 11.47           C  
+ATOM   1109  C   TYR A 146      26.498   5.213  -0.797  1.00 10.96           C  
+ATOM   1110  O   TYR A 146      26.359   4.049  -1.169  1.00 11.85           O  
+ATOM   1111  CB  TYR A 146      25.430   7.045  -2.068  1.00 12.15           C  
+ATOM   1112  CG  TYR A 146      25.624   8.444  -2.571  1.00 11.81           C  
+ATOM   1113  CD1 TYR A 146      25.717   8.701  -3.943  1.00 13.56           C  
+ATOM   1114  CD2 TYR A 146      25.748   9.498  -1.687  1.00 12.17           C  
+ATOM   1115  CE1 TYR A 146      25.909   9.997  -4.386  1.00 14.07           C  
+ATOM   1116  CE2 TYR A 146      25.889  10.808  -2.148  1.00 14.14           C  
+ATOM   1117  CZ  TYR A 146      26.017  11.024  -3.482  1.00 14.57           C  
+ATOM   1118  OH  TYR A 146      26.209  12.342  -3.940  1.00 16.70           O  
+ATOM   1119  N   ILE A 147      26.404   5.620   0.483  1.00 10.75           N  
+ATOM   1120  CA  ILE A 147      26.112   4.666   1.581  1.00 10.85           C  
+ATOM   1121  C   ILE A 147      24.825   5.124   2.240  1.00 10.91           C  
+ATOM   1122  O   ILE A 147      24.747   6.266   2.699  1.00 12.59           O  
+ATOM   1123  CB  ILE A 147      27.201   4.733   2.678  1.00 11.55           C  
+ATOM   1124  CG1 ILE A 147      28.568   4.449   2.052  1.00 13.08           C  
+ATOM   1125  CG2 ILE A 147      26.865   3.691   3.790  1.00 13.23           C  
+ATOM   1126  CD1 ILE A 147      29.722   5.081   2.853  1.00 11.89           C  
+ATOM   1127  N   TRP A 148      23.819   4.246   2.266  1.00 10.85           N  
+ATOM   1128  CA  TRP A 148      22.567   4.503   2.987  1.00 10.01           C  
+ATOM   1129  C   TRP A 148      22.639   3.655   4.251  1.00 12.15           C  
+ATOM   1130  O   TRP A 148      23.040   2.485   4.192  1.00 11.80           O  
+ATOM   1131  CB  TRP A 148      21.439   4.044   2.061  1.00 11.26           C  
+ATOM   1132  CG  TRP A 148      20.035   4.084   2.594  1.00 11.05           C  
+ATOM   1133  CD1 TRP A 148      19.079   5.030   2.302  1.00 12.78           C  
+ATOM   1134  CD2 TRP A 148      19.389   3.087   3.382  1.00 13.14           C  
+ATOM   1135  NE1 TRP A 148      17.879   4.697   2.902  1.00 13.62           N  
+ATOM   1136  CE2 TRP A 148      18.030   3.515   3.568  1.00 13.21           C  
+ATOM   1137  CE3 TRP A 148      19.809   1.885   3.957  1.00 14.02           C  
+ATOM   1138  CZ2 TRP A 148      17.093   2.764   4.324  1.00 14.97           C  
+ATOM   1139  CZ3 TRP A 148      18.862   1.108   4.690  1.00 16.27           C  
+ATOM   1140  CH2 TRP A 148      17.534   1.570   4.855  1.00 13.95           C  
+ATOM   1141  N   GLU A 149      22.316   4.239   5.409  1.00 11.49           N  
+ATOM   1142  CA  GLU A 149      22.456   3.448   6.657  1.00 11.80           C  
+ATOM   1143  C   GLU A 149      21.238   3.566   7.521  1.00 12.07           C  
+ATOM   1144  O   GLU A 149      20.712   4.673   7.697  1.00 13.43           O  
+ATOM   1145  CB  GLU A 149      23.679   3.906   7.468  1.00 12.61           C  
+ATOM   1146  CG  GLU A 149      23.980   3.014   8.681  1.00 13.31           C  
+ATOM   1147  CD  GLU A 149      25.417   3.171   9.238  1.00 17.06           C  
+ATOM   1148  OE1 GLU A 149      26.056   4.165   8.978  1.00 19.56           O  
+ATOM   1149  OE2 GLU A 149      25.939   2.248   9.887  1.00 24.58           O  
+ATOM   1150  N   SER A 150      20.855   2.434   8.107  1.00 11.79           N  
+ATOM   1151  CA  SER A 150      19.683   2.397   9.000  1.00 11.73           C  
+ATOM   1152  C   SER A 150      19.912   1.456  10.164  1.00 14.43           C  
+ATOM   1153  O   SER A 150      20.557   0.428  10.018  1.00 14.24           O  
+ATOM   1154  CB  SER A 150      18.456   1.874   8.203  1.00 14.27           C  
+ATOM   1155  OG  SER A 150      17.334   1.617   9.059  1.00 15.27           O  
+ATOM   1156  N   ASN A 151      19.350   1.824  11.319  1.00 15.32           N  
+ATOM   1157  CA  ASN A 151      19.394   0.926  12.469  1.00 16.43           C  
+ATOM   1158  C   ASN A 151      17.996   0.614  12.892  1.00 16.72           C  
+ATOM   1159  O   ASN A 151      17.713   0.355  14.054  1.00 17.35           O  
+ATOM   1160  CB  ASN A 151      20.169   1.632  13.586  1.00 16.64           C  
+ATOM   1161  CG  ASN A 151      19.475   2.886  14.043  1.00 18.66           C  
+ATOM   1162  OD1 ASN A 151      18.510   3.322  13.434  1.00 19.97           O  
+ATOM   1163  ND2 ASN A 151      20.011   3.518  15.076  1.00 27.08           N  
+ATOM   1164  N   ALA A 152      17.109   0.568  11.902  1.00 16.13           N  
+ATOM   1165  CA  ALA A 152      15.677   0.252  12.091  1.00 16.92           C  
+ATOM   1166  C   ALA A 152      14.937   1.362  12.836  1.00 17.67           C  
+ATOM   1167  O   ALA A 152      13.762   1.180  13.188  1.00 20.28           O  
+ATOM   1168  CB  ALA A 152      15.433  -1.157  12.754  1.00 17.38           C  
+ATOM   1169  N   GLY A 153      15.597   2.482  13.078  1.00 18.99           N  
+ATOM   1170  CA  GLY A 153      14.950   3.613  13.716  1.00 20.17           C  
+ATOM   1171  C   GLY A 153      14.252   4.446  12.658  1.00 20.28           C  
+ATOM   1172  O   GLY A 153      14.283   4.097  11.477  1.00 19.83           O  
+ATOM   1173  N   GLY A 154      13.691   5.582  13.066  1.00 19.18           N  
+ATOM   1174  CA  GLY A 154      12.881   6.401  12.178  1.00 19.18           C  
+ATOM   1175  C   GLY A 154      13.606   7.260  11.163  1.00 17.89           C  
+ATOM   1176  O   GLY A 154      12.979   7.863  10.295  1.00 18.61           O  
+ATOM   1177  N   SER A 155      14.923   7.326  11.281  1.00 18.53           N  
+ATOM   1178  CA  SER A 155      15.714   8.147  10.356  1.00 17.74           C  
+ATOM   1179  C   SER A 155      16.843   7.321   9.748  1.00 17.16           C  
+ATOM   1180  O   SER A 155      17.312   6.335  10.341  1.00 17.80           O  
+ATOM   1181  CB  SER A 155      16.301   9.381  11.090  1.00 19.73           C  
+ATOM   1182  OG  SER A 155      17.220   8.989  12.096  1.00 26.25           O  
+ATOM   1183  N   PHE A 156      17.263   7.707   8.548  1.00 16.50           N  
+ATOM   1184  CA  PHE A 156      18.406   7.039   7.922  1.00 14.54           C  
+ATOM   1185  C   PHE A 156      19.360   8.113   7.395  1.00 14.23           C  
+ATOM   1186  O   PHE A 156      18.989   9.286   7.256  1.00 15.84           O  
+ATOM   1187  CB  PHE A 156      17.994   6.121   6.750  1.00 14.53           C  
+ATOM   1188  CG  PHE A 156      17.229   6.805   5.645  1.00 14.03           C  
+ATOM   1189  CD1 PHE A 156      17.904   7.315   4.530  1.00 14.63           C  
+ATOM   1190  CD2 PHE A 156      15.831   6.897   5.681  1.00 15.75           C  
+ATOM   1191  CE1 PHE A 156      17.222   7.896   3.458  1.00 14.51           C  
+ATOM   1192  CE2 PHE A 156      15.130   7.472   4.614  1.00 15.57           C  
+ATOM   1193  CZ  PHE A 156      15.834   7.980   3.480  1.00 16.38           C  
+ATOM   1194  N   THR A 157      20.585   7.701   7.092  1.00 13.59           N  
+ATOM   1195  CA  THR A 157      21.533   8.657   6.546  1.00 13.39           C  
+ATOM   1196  C   THR A 157      21.964   8.215   5.171  1.00 12.77           C  
+ATOM   1197  O   THR A 157      21.902   7.038   4.820  1.00 13.77           O  
+ATOM   1198  CB  THR A 157      22.788   8.763   7.394  1.00 13.97           C  
+ATOM   1199  OG1 THR A 157      23.420   7.478   7.555  1.00 14.77           O  
+ATOM   1200  CG2 THR A 157      22.426   9.202   8.843  1.00 15.40           C  
+ATOM   1201  N   VAL A 158      22.397   9.198   4.397  1.00 12.76           N  
+ATOM   1202  CA  VAL A 158      22.982   8.906   3.100  1.00 13.30           C  
+ATOM   1203  C   VAL A 158      24.266   9.727   3.048  1.00 14.50           C  
+ATOM   1204  O   VAL A 158      24.234  10.945   3.324  1.00 15.25           O  
+ATOM   1205  CB  VAL A 158      22.049   9.336   1.946  1.00 13.60           C  
+ATOM   1206  CG1 VAL A 158      22.728   9.077   0.629  1.00 15.90           C  
+ATOM   1207  CG2 VAL A 158      20.756   8.524   2.005  1.00 15.19           C  
+ATOM   1208  N   THR A 159      25.366   9.082   2.669  1.00 13.56           N  
+ATOM   1209  CA  THR A 159      26.714   9.700   2.705  1.00 13.32           C  
+ATOM   1210  C   THR A 159      27.468   9.329   1.429  1.00 13.50           C  
+ATOM   1211  O   THR A 159      27.459   8.186   0.997  1.00 11.95           O  
+ATOM   1212  CB  THR A 159      27.484   9.155   3.914  1.00 14.44           C  
+ATOM   1213  OG1 THR A 159      26.725   9.332   5.124  1.00 16.00           O  
+ATOM   1214  CG2 THR A 159      28.812   9.900   4.154  1.00 15.59           C  
+ATOM   1215  N   LEU A 160      28.080  10.342   0.799  1.00 13.14           N  
+ATOM   1216  CA  LEU A 160      28.933  10.052  -0.350  1.00 13.06           C  
+ATOM   1217  C   LEU A 160      30.040   9.131   0.158  1.00 13.41           C  
+ATOM   1218  O   LEU A 160      30.606   9.347   1.227  1.00 13.08           O  
+ATOM   1219  CB  LEU A 160      29.554  11.381  -0.849  1.00 14.42           C  
+ATOM   1220  CG  LEU A 160      30.563  11.210  -1.972  1.00 15.27           C  
+ATOM   1221  CD1 LEU A 160      29.835  10.755  -3.205  1.00 18.45           C  
+ATOM   1222  CD2 LEU A 160      31.192  12.591  -2.210  1.00 20.38           C  
+ATOM   1223  N   ASP A 161      30.320   8.068  -0.594  1.00 12.14           N  
+ATOM   1224  CA  ASP A 161      31.235   6.991  -0.147  1.00 12.28           C  
+ATOM   1225  C   ASP A 161      32.716   7.257  -0.422  1.00 13.61           C  
+ATOM   1226  O   ASP A 161      33.150   7.198  -1.570  1.00 14.56           O  
+ATOM   1227  CB  ASP A 161      30.827   5.679  -0.806  1.00 12.50           C  
+ATOM   1228  CG  ASP A 161      31.481   4.498  -0.172  1.00 11.91           C  
+ATOM   1229  OD1 ASP A 161      32.556   4.630   0.447  1.00 12.01           O  
+ATOM   1230  OD2 ASP A 161      30.996   3.387  -0.266  1.00 10.42           O  
+ATOM   1231  N   GLU A 162      33.467   7.572   0.623  1.00 13.84           N  
+ATOM   1232  CA  GLU A 162      34.907   7.713   0.496  1.00 15.60           C  
+ATOM   1233  C   GLU A 162      35.595   6.706   1.443  1.00 15.64           C  
+ATOM   1234  O   GLU A 162      36.732   6.930   1.856  1.00 15.88           O  
+ATOM   1235  CB  GLU A 162      35.338   9.151   0.834  1.00 17.66           C  
+ATOM   1236  CG  GLU A 162      34.864  10.215  -0.154  1.00 21.53           C  
+ATOM   1237  CD  GLU A 162      35.251  11.639   0.232  1.00 31.70           C  
+ATOM   1238  OE1 GLU A 162      36.009  11.812   1.207  1.00 35.33           O  
+ATOM   1239  OE2 GLU A 162      34.787  12.572  -0.456  1.00 37.57           O  
+ATOM   1240  N   VAL A 163      34.903   5.632   1.807  1.00 13.23           N  
+ATOM   1241  CA  VAL A 163      35.465   4.675   2.782  1.00 14.00           C  
+ATOM   1242  C   VAL A 163      35.434   3.203   2.403  1.00 12.84           C  
+ATOM   1243  O   VAL A 163      36.120   2.385   2.999  1.00 14.20           O  
+ATOM   1244  CB  VAL A 163      34.849   4.852   4.184  1.00 13.34           C  
+ATOM   1245  CG1 VAL A 163      35.147   6.283   4.697  1.00 15.53           C  
+ATOM   1246  CG2 VAL A 163      33.311   4.619   4.158  1.00 15.01           C  
+ATOM   1247  N   ASN A 164      34.603   2.831   1.433  1.00 11.93           N  
+ATOM   1248  CA  ASN A 164      34.473   1.434   1.041  1.00 11.68           C  
+ATOM   1249  C   ASN A 164      35.150   1.095  -0.281  1.00 12.42           C  
+ATOM   1250  O   ASN A 164      35.438   2.006  -1.056  1.00 13.46           O  
+ATOM   1251  CB  ASN A 164      32.991   1.030   0.979  1.00 11.52           C  
+ATOM   1252  CG  ASN A 164      32.303   1.177   2.315  1.00 11.17           C  
+ATOM   1253  OD1 ASN A 164      32.755   0.558   3.302  1.00 12.59           O  
+ATOM   1254  ND2 ASN A 164      31.279   2.001   2.390  1.00 11.10           N  
+ATOM   1255  N   GLU A 165      35.378  -0.185  -0.535  1.00 12.65           N  
+ATOM   1256  CA  GLU A 165      35.922  -0.564  -1.852  1.00 14.49           C  
+ATOM   1257  C   GLU A 165      35.026  -0.022  -2.962  1.00 14.69           C  
+ATOM   1258  O   GLU A 165      33.784   0.100  -2.815  1.00 14.56           O  
+ATOM   1259  CB  GLU A 165      36.016  -2.086  -1.955  1.00 14.62           C  
+ATOM   1260  CG  GLU A 165      34.661  -2.790  -1.895  1.00 19.09           C  
+ATOM   1261  CD  GLU A 165      34.767  -4.294  -2.020  1.00 26.46           C  
+ATOM   1262  OE1 GLU A 165      35.596  -4.782  -2.843  1.00 27.35           O  
+ATOM   1263  OE2 GLU A 165      34.048  -4.982  -1.257  1.00 30.42           O  
+ATOM   1264  N   ARG A 166      35.611   0.358  -4.092  1.00 13.76           N  
+ATOM   1265  CA  ARG A 166      34.794   0.756  -5.214  1.00 15.12           C  
+ATOM   1266  C   ARG A 166      34.056  -0.443  -5.771  1.00 16.22           C  
+ATOM   1267  O   ARG A 166      34.653  -1.516  -5.983  1.00 17.84           O  
+ATOM   1268  CB  ARG A 166      35.672   1.287  -6.333  1.00 14.19           C  
+ATOM   1269  CG  ARG A 166      36.437   2.527  -5.932  1.00 14.02           C  
+ATOM   1270  CD  ARG A 166      35.583   3.665  -5.486  1.00 13.32           C  
+ATOM   1271  NE  ARG A 166      35.368   3.615  -4.015  1.00 13.41           N  
+ATOM   1272  CZ  ARG A 166      34.675   4.532  -3.350  1.00 14.51           C  
+ATOM   1273  NH1 ARG A 166      34.109   5.520  -4.025  1.00 16.27           N  
+ATOM   1274  NH2 ARG A 166      34.533   4.453  -2.013  1.00 15.62           N  
+ATOM   1275  N   ILE A 167      32.768  -0.233  -6.044  1.00 15.59           N  
+ATOM   1276  CA  ILE A 167      31.904  -1.211  -6.672  1.00 17.51           C  
+ATOM   1277  C   ILE A 167      31.998  -0.699  -8.152  1.00 18.10           C  
+ATOM   1278  O   ILE A 167      31.987   0.463  -8.412  1.00 20.54           O  
+ATOM   1279  CB  ILE A 167      30.436  -0.982  -6.119  1.00 16.99           C  
+ATOM   1280  CG1 ILE A 167      30.342  -1.274  -4.624  1.00 22.57           C  
+ATOM   1281  CG2 ILE A 167      29.406  -1.786  -6.911  1.00 20.53           C  
+ATOM   1282  CD1 ILE A 167      28.890  -1.036  -4.085  1.00 22.86           C  
+ATOM   1283  N   GLY A 168      32.081  -1.548  -9.109  1.00 19.91           N  
+ATOM   1284  CA  GLY A 168      32.107  -1.014 -10.448  1.00 16.64           C  
+ATOM   1285  C   GLY A 168      30.708  -0.523 -10.758  1.00 16.02           C  
+ATOM   1286  O   GLY A 168      30.507   0.574 -11.328  1.00 15.28           O  
+ATOM   1287  N   ARG A 169      29.754  -1.385 -10.416  1.00 13.71           N  
+ATOM   1288  CA  ARG A 169      28.323  -1.048 -10.529  1.00 12.75           C  
+ATOM   1289  C   ARG A 169      27.601  -2.080  -9.695  1.00 13.29           C  
+ATOM   1290  O   ARG A 169      27.993  -3.244  -9.685  1.00 14.68           O  
+ATOM   1291  CB  ARG A 169      27.850  -1.254 -11.992  1.00 12.87           C  
+ATOM   1292  CG  ARG A 169      26.416  -0.855 -12.240  1.00 12.66           C  
+ATOM   1293  CD  ARG A 169      25.813  -1.448 -13.586  1.00 12.67           C  
+ATOM   1294  NE  ARG A 169      25.899  -2.917 -13.623  1.00 12.81           N  
+ATOM   1295  CZ  ARG A 169      26.759  -3.606 -14.391  1.00 13.50           C  
+ATOM   1296  NH1 ARG A 169      27.574  -2.946 -15.201  1.00 15.22           N  
+ATOM   1297  NH2 ARG A 169      26.787  -4.939 -14.358  1.00 14.88           N  
+ATOM   1298  N   GLY A 170      26.533  -1.645  -8.999  1.00 11.60           N  
+ATOM   1299  CA  GLY A 170      25.748  -2.580  -8.211  1.00 11.81           C  
+ATOM   1300  C   GLY A 170      25.575  -2.142  -6.784  1.00 11.08           C  
+ATOM   1301  O   GLY A 170      25.657  -0.960  -6.457  1.00 12.69           O  
+ATOM   1302  N   THR A 171      25.315  -3.129  -5.929  1.00 10.25           N  
+ATOM   1303  CA  THR A 171      24.936  -2.776  -4.565  1.00 11.12           C  
+ATOM   1304  C   THR A 171      25.505  -3.827  -3.617  1.00 11.28           C  
+ATOM   1305  O   THR A 171      25.513  -5.023  -3.915  1.00 12.20           O  
+ATOM   1306  CB  THR A 171      23.393  -2.853  -4.494  1.00 12.08           C  
+ATOM   1307  OG1 THR A 171      22.816  -1.800  -5.313  1.00 11.85           O  
+ATOM   1308  CG2 THR A 171      22.878  -2.566  -3.082  1.00 13.21           C  
+ATOM   1309  N   ILE A 172      25.927  -3.354  -2.439  1.00 10.31           N  
+ATOM   1310  CA  ILE A 172      26.300  -4.243  -1.335  1.00 10.95           C  
+ATOM   1311  C   ILE A 172      25.370  -3.966  -0.173  1.00 10.69           C  
+ATOM   1312  O   ILE A 172      25.225  -2.813   0.247  1.00 11.91           O  
+ATOM   1313  CB  ILE A 172      27.700  -3.917  -0.848  1.00 11.22           C  
+ATOM   1314  CG1 ILE A 172      28.695  -4.250  -1.965  1.00 11.78           C  
+ATOM   1315  CG2 ILE A 172      28.044  -4.796   0.398  1.00 12.79           C  
+ATOM   1316  CD1 ILE A 172      30.176  -3.871  -1.634  1.00 15.37           C  
+ATOM   1317  N   LEU A 173      24.756  -5.009   0.356  1.00 10.88           N  
+ATOM   1318  CA  LEU A 173      24.007  -4.907   1.585  1.00 11.32           C  
+ATOM   1319  C   LEU A 173      24.973  -5.427   2.638  1.00 10.85           C  
+ATOM   1320  O   LEU A 173      25.332  -6.609   2.619  1.00 12.64           O  
+ATOM   1321  CB  LEU A 173      22.755  -5.791   1.531  1.00 11.03           C  
+ATOM   1322  CG  LEU A 173      21.487  -4.991   1.193  1.00 12.32           C  
+ATOM   1323  CD1 LEU A 173      21.559  -4.418  -0.201  1.00 14.11           C  
+ATOM   1324  CD2 LEU A 173      20.321  -5.971   1.309  1.00 13.62           C  
+ATOM   1325  N   ARG A 174      25.363  -4.547   3.554  1.00 10.22           N  
+ATOM   1326  CA  ARG A 174      26.299  -4.924   4.608  1.00 11.54           C  
+ATOM   1327  C   ARG A 174      25.463  -5.038   5.887  1.00 10.89           C  
+ATOM   1328  O   ARG A 174      25.007  -4.024   6.438  1.00 11.44           O  
+ATOM   1329  CB  ARG A 174      27.417  -3.877   4.718  1.00 10.94           C  
+ATOM   1330  CG  ARG A 174      28.383  -4.128   5.942  1.00 11.31           C  
+ATOM   1331  CD  ARG A 174      29.438  -3.065   6.014  1.00 11.90           C  
+ATOM   1332  NE  ARG A 174      30.352  -3.153   4.857  1.00 11.17           N  
+ATOM   1333  CZ  ARG A 174      31.107  -2.146   4.433  1.00 11.79           C  
+ATOM   1334  NH1 ARG A 174      30.986  -0.933   5.000  1.00 13.28           N  
+ATOM   1335  NH2 ARG A 174      31.974  -2.390   3.420  1.00 11.72           N  
+ATOM   1336  N   LEU A 175      25.268  -6.281   6.338  1.00 11.00           N  
+ATOM   1337  CA  LEU A 175      24.378  -6.575   7.475  1.00 11.72           C  
+ATOM   1338  C   LEU A 175      25.256  -6.706   8.709  1.00 11.91           C  
+ATOM   1339  O   LEU A 175      26.235  -7.463   8.701  1.00 13.39           O  
+ATOM   1340  CB  LEU A 175      23.653  -7.907   7.267  1.00 12.19           C  
+ATOM   1341  CG  LEU A 175      22.823  -8.055   5.996  1.00 15.78           C  
+ATOM   1342  CD1 LEU A 175      21.923  -9.283   6.271  1.00 16.90           C  
+ATOM   1343  CD2 LEU A 175      21.992  -6.894   5.638  1.00 17.48           C  
+ATOM   1344  N   PHE A 176      24.916  -5.927   9.736  1.00 12.89           N  
+ATOM   1345  CA  PHE A 176      25.616  -6.076  11.026  1.00 13.38           C  
+ATOM   1346  C   PHE A 176      24.753  -6.999  11.838  1.00 14.40           C  
+ATOM   1347  O   PHE A 176      23.688  -6.629  12.339  1.00 14.72           O  
+ATOM   1348  CB  PHE A 176      25.786  -4.719  11.687  1.00 14.28           C  
+ATOM   1349  CG  PHE A 176      26.679  -3.787  10.905  1.00 15.59           C  
+ATOM   1350  CD1 PHE A 176      26.176  -3.064   9.849  1.00 13.59           C  
+ATOM   1351  CD2 PHE A 176      28.021  -3.643  11.241  1.00 16.41           C  
+ATOM   1352  CE1 PHE A 176      27.004  -2.238   9.106  1.00 15.77           C  
+ATOM   1353  CE2 PHE A 176      28.869  -2.805  10.525  1.00 18.31           C  
+ATOM   1354  CZ  PHE A 176      28.342  -2.077   9.447  1.00 15.80           C  
+ATOM   1355  N   LEU A 177      25.203  -8.238  11.920  1.00 14.60           N  
+ATOM   1356  CA  LEU A 177      24.423  -9.300  12.531  1.00 14.77           C  
+ATOM   1357  C   LEU A 177      24.225  -9.138  14.033  1.00 15.75           C  
+ATOM   1358  O   LEU A 177      25.103  -8.676  14.760  1.00 16.26           O  
+ATOM   1359  CB  LEU A 177      25.099 -10.631  12.234  1.00 15.17           C  
+ATOM   1360  CG  LEU A 177      25.171 -11.070  10.771  1.00 15.43           C  
+ATOM   1361  CD1 LEU A 177      25.866 -12.458  10.708  1.00 19.53           C  
+ATOM   1362  CD2 LEU A 177      23.823 -11.186  10.067  1.00 16.38           C  
+ATOM   1363  N   LYS A 178      23.037  -9.540  14.459  1.00 16.17           N  
+ATOM   1364  CA  LYS A 178      22.733  -9.594  15.912  1.00 18.03           C  
+ATOM   1365  C   LYS A 178      23.618 -10.647  16.571  1.00 19.55           C  
+ATOM   1366  O   LYS A 178      23.992 -11.614  15.945  1.00 19.64           O  
+ATOM   1367  CB  LYS A 178      21.282  -9.978  16.107  1.00 18.01           C  
+ATOM   1368  CG  LYS A 178      20.278  -8.938  15.624  1.00 17.30           C  
+ATOM   1369  CD  LYS A 178      18.885  -9.556  15.559  1.00 15.68           C  
+ATOM   1370  CE  LYS A 178      17.796  -8.529  15.399  1.00 18.54           C  
+ATOM   1371  NZ  LYS A 178      16.381  -9.113  15.295  1.00 17.82           N  
+ATOM   1372  N   ASP A 179      23.871 -10.481  17.862  1.00 22.26           N  
+ATOM   1373  CA  ASP A 179      24.811 -11.372  18.561  1.00 25.69           C  
+ATOM   1374  C   ASP A 179      24.383 -12.833  18.593  1.00 26.32           C  
+ATOM   1375  O   ASP A 179      25.235 -13.734  18.717  1.00 26.73           O  
+ATOM   1376  CB  ASP A 179      25.031 -10.873  19.988  1.00 26.97           C  
+ATOM   1377  CG  ASP A 179      26.019  -9.756  20.060  1.00 32.62           C  
+ATOM   1378  OD1 ASP A 179      26.803  -9.622  19.099  1.00 34.82           O  
+ATOM   1379  OD2 ASP A 179      26.091  -8.966  21.023  1.00 38.46           O  
+ATOM   1380  N   ASP A 180      23.088 -13.095  18.464  1.00 26.82           N  
+ATOM   1381  CA  ASP A 180      22.637 -14.471  18.489  1.00 27.71           C  
+ATOM   1382  C   ASP A 180      22.365 -15.026  17.105  1.00 26.39           C  
+ATOM   1383  O   ASP A 180      21.808 -16.111  16.951  1.00 25.25           O  
+ATOM   1384  CB  ASP A 180      21.413 -14.618  19.394  1.00 29.28           C  
+ATOM   1385  CG  ASP A 180      20.174 -14.010  18.804  1.00 33.69           C  
+ATOM   1386  OD1 ASP A 180      20.268 -12.943  18.160  1.00 34.86           O  
+ATOM   1387  OD2 ASP A 180      19.044 -14.525  18.948  1.00 40.63           O  
+ATOM   1388  N   GLN A 181      22.789 -14.294  16.066  1.00 24.20           N  
+ATOM   1389  CA  GLN A 181      22.552 -14.768  14.727  1.00 24.10           C  
+ATOM   1390  C   GLN A 181      23.860 -14.949  13.965  1.00 24.09           C  
+ATOM   1391  O   GLN A 181      23.862 -14.929  12.738  1.00 24.15           O  
+ATOM   1392  CB  GLN A 181      21.621 -13.794  13.957  1.00 22.71           C  
+ATOM   1393  CG  GLN A 181      20.299 -13.572  14.629  1.00 24.69           C  
+ATOM   1394  CD  GLN A 181      19.468 -14.827  14.708  1.00 24.79           C  
+ATOM   1395  OE1 GLN A 181      19.446 -15.638  13.789  1.00 25.92           O  
+ATOM   1396  NE2 GLN A 181      18.741 -14.970  15.820  1.00 27.75           N  
+ATOM   1397  N   LEU A 182      24.950 -15.203  14.688  1.00 24.19           N  
+ATOM   1398  CA  LEU A 182      26.232 -15.342  14.021  1.00 23.90           C  
+ATOM   1399  C   LEU A 182      26.367 -16.613  13.204  1.00 23.75           C  
+ATOM   1400  O   LEU A 182      27.361 -16.808  12.512  1.00 23.12           O  
+ATOM   1401  CB  LEU A 182      27.382 -15.186  15.012  1.00 24.53           C  
+ATOM   1402  CG  LEU A 182      27.338 -13.899  15.822  1.00 25.60           C  
+ATOM   1403  CD1 LEU A 182      28.549 -13.788  16.696  1.00 26.28           C  
+ATOM   1404  CD2 LEU A 182      27.270 -12.683  14.827  1.00 26.82           C  
+ATOM   1405  N   GLU A 183      25.369 -17.493  13.246  1.00 22.60           N  
+ATOM   1406  CA  GLU A 183      25.490 -18.695  12.437  1.00 21.74           C  
+ATOM   1407  C   GLU A 183      25.550 -18.346  10.951  1.00 21.94           C  
+ATOM   1408  O   GLU A 183      25.972 -19.138  10.116  1.00 20.97           O  
+ATOM   1409  CB  GLU A 183      24.284 -19.631  12.687  1.00 22.81           C  
+ATOM   1410  CG  GLU A 183      22.952 -19.030  12.254  1.00 22.91           C  
+ATOM   1411  CD  GLU A 183      21.726 -19.856  12.736  1.00 22.62           C  
+ATOM   1412  OE1 GLU A 183      21.387 -19.653  13.921  1.00 27.68           O  
+ATOM   1413  OE2 GLU A 183      21.136 -20.627  11.951  1.00 25.34           O  
+ATOM   1414  N   TYR A 184      25.049 -17.158  10.616  1.00 20.91           N  
+ATOM   1415  CA  TYR A 184      25.007 -16.803   9.208  1.00 21.03           C  
+ATOM   1416  C   TYR A 184      26.342 -16.333   8.692  1.00 22.08           C  
+ATOM   1417  O   TYR A 184      26.411 -15.858   7.557  1.00 22.28           O  
+ATOM   1418  CB  TYR A 184      23.883 -15.778   8.920  1.00 19.57           C  
+ATOM   1419  CG  TYR A 184      22.557 -16.401   9.264  1.00 18.59           C  
+ATOM   1420  CD1 TYR A 184      21.855 -16.011  10.402  1.00 19.58           C  
+ATOM   1421  CD2 TYR A 184      22.051 -17.436   8.500  1.00 17.34           C  
+ATOM   1422  CE1 TYR A 184      20.643 -16.674  10.768  1.00 19.52           C  
+ATOM   1423  CE2 TYR A 184      20.863 -18.093   8.828  1.00 19.74           C  
+ATOM   1424  CZ  TYR A 184      20.156 -17.689   9.972  1.00 21.83           C  
+ATOM   1425  OH  TYR A 184      18.989 -18.366  10.311  1.00 21.51           O  
+ATOM   1426  N   LEU A 185      27.370 -16.428   9.522  1.00 21.86           N  
+ATOM   1427  CA  LEU A 185      28.764 -16.187   9.101  1.00 22.26           C  
+ATOM   1428  C   LEU A 185      29.407 -17.489   8.659  1.00 24.03           C  
+ATOM   1429  O   LEU A 185      30.464 -17.500   8.037  1.00 24.03           O  
+ATOM   1430  CB  LEU A 185      29.597 -15.607  10.242  1.00 23.19           C  
+ATOM   1431  CG  LEU A 185      29.202 -14.242  10.801  1.00 22.47           C  
+ATOM   1432  CD1 LEU A 185      29.972 -13.928  12.078  1.00 24.83           C  
+ATOM   1433  CD2 LEU A 185      29.417 -13.144   9.753  1.00 23.98           C  
+ATOM   1434  N   GLU A 186      28.779 -18.605   8.998  1.00 23.84           N  
+ATOM   1435  CA  GLU A 186      29.375 -19.906   8.679  1.00 24.98           C  
+ATOM   1436  C   GLU A 186      29.098 -20.443   7.268  1.00 23.62           C  
+ATOM   1437  O   GLU A 186      27.959 -20.513   6.776  1.00 23.62           O  
+ATOM   1438  CB  GLU A 186      28.893 -20.924   9.718  1.00 24.45           C  
+ATOM   1439  CG  GLU A 186      29.200 -20.572  11.159  1.00 29.99           C  
+ATOM   1440  CD  GLU A 186      28.417 -21.465  12.118  1.00 35.36           C  
+ATOM   1441  OE1 GLU A 186      27.623 -22.327  11.661  1.00 37.91           O  
+ATOM   1442  OE2 GLU A 186      28.605 -21.289  13.336  1.00 40.41           O  
+ATOM   1443  N   GLU A 187      30.157 -20.911   6.606  1.00 24.73           N  
+ATOM   1444  CA  GLU A 187      30.053 -21.429   5.264  1.00 23.89           C  
+ATOM   1445  C   GLU A 187      28.987 -22.493   5.056  1.00 24.37           C  
+ATOM   1446  O   GLU A 187      28.227 -22.447   4.110  1.00 24.09           O  
+ATOM   1447  CB  GLU A 187      31.430 -22.006   4.829  1.00 24.81           C  
+ATOM   1448  CG  GLU A 187      31.413 -22.699   3.486  1.00 26.69           C  
+ATOM   1449  CD  GLU A 187      32.790 -23.256   3.073  1.00 24.13           C  
+ATOM   1450  OE1 GLU A 187      33.662 -23.355   3.965  1.00 30.45           O  
+ATOM   1451  OE2 GLU A 187      32.978 -23.572   1.881  1.00 28.81           O  
+ATOM   1452  N   LYS A 188      28.968 -23.485   5.936  1.00 24.97           N  
+ATOM   1453  CA  LYS A 188      28.039 -24.587   5.769  1.00 25.73           C  
+ATOM   1454  C   LYS A 188      26.578 -24.114   5.898  1.00 24.13           C  
+ATOM   1455  O   LYS A 188      25.727 -24.483   5.089  1.00 25.46           O  
+ATOM   1456  CB  LYS A 188      28.363 -25.679   6.795  1.00 26.22           C  
+ATOM   1457  CG  LYS A 188      27.519 -26.921   6.673  1.00 30.35           C  
+ATOM   1458  N   ARG A 189      26.344 -23.246   6.872  1.00 24.94           N  
+ATOM   1459  CA  ARG A 189      25.009 -22.692   7.104  1.00 24.59           C  
+ATOM   1460  C   ARG A 189      24.530 -21.875   5.902  1.00 24.04           C  
+ATOM   1461  O   ARG A 189      23.431 -22.067   5.378  1.00 24.27           O  
+ATOM   1462  CB  ARG A 189      25.006 -21.834   8.356  1.00 24.34           C  
+ATOM   1463  CG  ARG A 189      23.608 -21.322   8.694  1.00 23.56           C  
+ATOM   1464  CD  ARG A 189      22.629 -22.427   9.164  1.00 25.79           C  
+ATOM   1465  NE  ARG A 189      21.376 -21.808   9.644  1.00 23.93           N  
+ATOM   1466  CZ  ARG A 189      20.168 -22.072   9.180  1.00 24.40           C  
+ATOM   1467  NH1 ARG A 189      19.967 -22.969   8.221  1.00 26.80           N  
+ATOM   1468  NH2 ARG A 189      19.132 -21.410   9.698  1.00 25.67           N  
+ATOM   1469  N   ILE A 190      25.385 -20.968   5.434  1.00 24.14           N  
+ATOM   1470  CA  ILE A 190      25.010 -20.194   4.249  1.00 23.19           C  
+ATOM   1471  C   ILE A 190      24.672 -21.042   3.042  1.00 23.92           C  
+ATOM   1472  O   ILE A 190      23.657 -20.851   2.393  1.00 22.40           O  
+ATOM   1473  CB  ILE A 190      26.137 -19.188   3.884  1.00 23.13           C  
+ATOM   1474  CG1 ILE A 190      26.387 -18.211   5.016  1.00 23.83           C  
+ATOM   1475  CG2 ILE A 190      25.834 -18.506   2.535  1.00 22.53           C  
+ATOM   1476  CD1 ILE A 190      27.700 -17.469   4.845  1.00 24.47           C  
+ATOM   1477  N   LYS A 191      25.509 -22.046   2.723  1.00 24.16           N  
+ATOM   1478  CA  LYS A 191      25.239 -22.839   1.552  1.00 25.09           C  
+ATOM   1479  C   LYS A 191      23.919 -23.593   1.723  1.00 24.29           C  
+ATOM   1480  O   LYS A 191      23.192 -23.820   0.752  1.00 24.93           O  
+ATOM   1481  CB  LYS A 191      26.330 -23.920   1.353  1.00 24.97           C  
+ATOM   1482  CG  LYS A 191      27.699 -23.336   1.042  1.00 28.60           C  
+ATOM   1483  CD  LYS A 191      28.682 -24.431   0.591  1.00 35.41           C  
+ATOM   1484  CE  LYS A 191      29.954 -23.737   0.171  1.00 39.40           C  
+ATOM   1485  NZ  LYS A 191      31.007 -24.749  -0.092  1.00 45.73           N  
+ATOM   1486  N   GLU A 192      23.634 -24.021   2.954  1.00 25.29           N  
+ATOM   1487  CA  GLU A 192      22.424 -24.776   3.232  1.00 26.36           C  
+ATOM   1488  C   GLU A 192      21.184 -23.917   3.007  1.00 25.26           C  
+ATOM   1489  O   GLU A 192      20.188 -24.365   2.427  1.00 25.34           O  
+ATOM   1490  CB  GLU A 192      22.462 -25.289   4.670  1.00 26.92           C  
+ATOM   1491  CG  GLU A 192      21.098 -25.705   5.169  1.00 34.28           C  
+ATOM   1492  CD  GLU A 192      21.158 -26.290   6.550  1.00 42.57           C  
+ATOM   1493  OE1 GLU A 192      22.291 -26.373   7.108  1.00 47.52           O  
+ATOM   1494  OE2 GLU A 192      20.074 -26.686   7.048  1.00 47.47           O  
+ATOM   1495  N   VAL A 193      21.271 -22.659   3.435  1.00 24.16           N  
+ATOM   1496  CA  VAL A 193      20.135 -21.741   3.257  1.00 23.42           C  
+ATOM   1497  C   VAL A 193      19.855 -21.405   1.791  1.00 23.67           C  
+ATOM   1498  O   VAL A 193      18.701 -21.387   1.361  1.00 23.95           O  
+ATOM   1499  CB  VAL A 193      20.322 -20.475   4.141  1.00 23.01           C  
+ATOM   1500  CG1 VAL A 193      19.213 -19.446   3.923  1.00 22.68           C  
+ATOM   1501  CG2 VAL A 193      20.388 -20.877   5.612  1.00 22.76           C  
+ATOM   1502  N   ILE A 194      20.917 -21.169   1.028  1.00 24.02           N  
+ATOM   1503  CA  ILE A 194      20.809 -20.862  -0.398  1.00 26.36           C  
+ATOM   1504  C   ILE A 194      20.224 -22.003  -1.163  1.00 26.80           C  
+ATOM   1505  O   ILE A 194      19.315 -21.841  -1.947  1.00 27.19           O  
+ATOM   1506  CB  ILE A 194      22.230 -20.559  -0.979  1.00 26.21           C  
+ATOM   1507  CG1 ILE A 194      22.781 -19.267  -0.392  1.00 28.15           C  
+ATOM   1508  CG2 ILE A 194      22.195 -20.516  -2.495  1.00 26.98           C  
+ATOM   1509  CD1 ILE A 194      24.237 -19.040  -0.752  1.00 28.63           C  
+ATOM   1510  N   LYS A 195      20.740 -23.205  -0.905  1.00 28.45           N  
+ATOM   1511  CA  LYS A 195      20.309 -24.360  -1.661  1.00 29.81           C  
+ATOM   1512  C   LYS A 195      18.847 -24.618  -1.424  1.00 29.82           C  
+ATOM   1513  O   LYS A 195      18.135 -25.065  -2.305  1.00 31.00           O  
+ATOM   1514  CB  LYS A 195      21.129 -25.609  -1.286  1.00 29.69           C  
+ATOM   1515  CG  LYS A 195      22.578 -25.578  -1.770  1.00 32.97           C  
+ATOM   1516  CD  LYS A 195      23.380 -26.742  -1.178  1.00 37.32           C  
+ATOM   1517  N   ARG A 196      18.385 -24.267  -0.232  1.00 30.12           N  
+ATOM   1518  CA  ARG A 196      17.006 -24.529   0.141  1.00 30.52           C  
+ATOM   1519  C   ARG A 196      15.973 -23.621  -0.514  1.00 31.15           C  
+ATOM   1520  O   ARG A 196      14.962 -24.078  -1.040  1.00 31.18           O  
+ATOM   1521  CB  ARG A 196      16.852 -24.444   1.662  1.00 30.84           C  
+ATOM   1522  N   HIS A 197      16.213 -22.320  -0.472  1.00 31.30           N  
+ATOM   1523  CA  HIS A 197      15.170 -21.381  -0.865  1.00 32.02           C  
+ATOM   1524  C   HIS A 197      15.467 -20.595  -2.109  1.00 31.68           C  
+ATOM   1525  O   HIS A 197      14.626 -19.822  -2.533  1.00 33.03           O  
+ATOM   1526  CB  HIS A 197      14.874 -20.378   0.267  1.00 32.30           C  
+ATOM   1527  CG  HIS A 197      14.333 -20.999   1.516  1.00 34.55           C  
+ATOM   1528  ND1 HIS A 197      13.022 -21.410   1.637  1.00 35.22           N  
+ATOM   1529  CD2 HIS A 197      14.925 -21.278   2.702  1.00 36.14           C  
+ATOM   1530  CE1 HIS A 197      12.831 -21.923   2.840  1.00 36.60           C  
+ATOM   1531  NE2 HIS A 197      13.970 -21.860   3.505  1.00 36.96           N  
+ATOM   1532  N   SER A 198      16.639 -20.770  -2.711  1.00 31.20           N  
+ATOM   1533  CA  SER A 198      16.951 -20.003  -3.917  1.00 30.12           C  
+ATOM   1534  C   SER A 198      17.495 -20.879  -5.031  1.00 31.02           C  
+ATOM   1535  O   SER A 198      18.578 -20.606  -5.497  1.00 31.93           O  
+ATOM   1536  CB  SER A 198      18.002 -18.890  -3.621  1.00 29.93           C  
+ATOM   1537  OG  SER A 198      17.649 -18.037  -2.528  1.00 26.42           O  
+ATOM   1538  N   GLU A 199      16.734 -21.883  -5.502  1.00 30.63           N  
+ATOM   1539  CA  GLU A 199      17.214 -22.832  -6.546  1.00 30.48           C  
+ATOM   1540  C   GLU A 199      17.195 -22.336  -8.020  1.00 29.62           C  
+ATOM   1541  O   GLU A 199      17.976 -22.780  -8.886  1.00 31.63           O  
+ATOM   1542  CB  GLU A 199      16.366 -24.121  -6.487  1.00 31.88           C  
+ATOM   1543  CG  GLU A 199      16.629 -25.095  -7.643  1.00 34.43           C  
+ATOM   1544  CD  GLU A 199      15.748 -26.356  -7.634  1.00 39.72           C  
+ATOM   1545  OE1 GLU A 199      14.844 -26.482  -6.777  1.00 42.24           O  
+ATOM   1546  OE2 GLU A 199      15.955 -27.232  -8.507  1.00 42.99           O  
+ATOM   1547  N   PHE A 200      16.284 -21.437  -8.317  1.00 26.88           N  
+ATOM   1548  CA  PHE A 200      16.134 -20.992  -9.694  1.00 23.59           C  
+ATOM   1549  C   PHE A 200      16.568 -19.563  -9.844  1.00 22.93           C  
+ATOM   1550  O   PHE A 200      15.766 -18.696 -10.127  1.00 23.77           O  
+ATOM   1551  CB  PHE A 200      14.660 -21.137 -10.081  1.00 23.63           C  
+ATOM   1552  CG  PHE A 200      14.217 -22.567 -10.135  1.00 22.76           C  
+ATOM   1553  CD1 PHE A 200      13.454 -23.104  -9.134  1.00 23.96           C  
+ATOM   1554  CD2 PHE A 200      14.618 -23.384 -11.182  1.00 24.90           C  
+ATOM   1555  CE1 PHE A 200      13.069 -24.460  -9.192  1.00 25.09           C  
+ATOM   1556  CE2 PHE A 200      14.240 -24.716 -11.235  1.00 26.56           C  
+ATOM   1557  CZ  PHE A 200      13.465 -25.241 -10.249  1.00 25.49           C  
+ATOM   1558  N   VAL A 201      17.860 -19.337  -9.700  1.00 21.72           N  
+ATOM   1559  CA  VAL A 201      18.432 -18.003  -9.837  1.00 22.07           C  
+ATOM   1560  C   VAL A 201      19.265 -18.052 -11.097  1.00 22.48           C  
+ATOM   1561  O   VAL A 201      20.046 -18.978 -11.283  1.00 23.25           O  
+ATOM   1562  CB  VAL A 201      19.287 -17.682  -8.578  1.00 22.22           C  
+ATOM   1563  CG1 VAL A 201      20.004 -16.346  -8.707  1.00 21.83           C  
+ATOM   1564  CG2 VAL A 201      18.408 -17.689  -7.341  1.00 22.06           C  
+ATOM   1565  N   ALA A 202      19.106 -17.074 -11.972  1.00 20.94           N  
+ATOM   1566  CA  ALA A 202      19.748 -17.091 -13.278  1.00 21.82           C  
+ATOM   1567  C   ALA A 202      21.225 -16.709 -13.245  1.00 22.43           C  
+ATOM   1568  O   ALA A 202      21.946 -16.934 -14.216  1.00 24.86           O  
+ATOM   1569  CB  ALA A 202      18.992 -16.198 -14.251  1.00 21.73           C  
+ATOM   1570  N   TYR A 203      21.686 -16.186 -12.110  1.00 20.88           N  
+ATOM   1571  CA  TYR A 203      23.050 -15.656 -11.979  1.00 19.83           C  
+ATOM   1572  C   TYR A 203      23.854 -16.507 -11.027  1.00 18.78           C  
+ATOM   1573  O   TYR A 203      23.291 -17.098 -10.134  1.00 19.67           O  
+ATOM   1574  CB  TYR A 203      22.945 -14.230 -11.410  1.00 19.91           C  
+ATOM   1575  CG  TYR A 203      22.028 -13.380 -12.257  1.00 17.36           C  
+ATOM   1576  CD1 TYR A 203      20.700 -13.152 -11.894  1.00 15.52           C  
+ATOM   1577  CD2 TYR A 203      22.465 -12.864 -13.463  1.00 17.57           C  
+ATOM   1578  CE1 TYR A 203      19.858 -12.405 -12.692  1.00 16.81           C  
+ATOM   1579  CE2 TYR A 203      21.652 -12.163 -14.274  1.00 18.19           C  
+ATOM   1580  CZ  TYR A 203      20.319 -11.887 -13.884  1.00 15.49           C  
+ATOM   1581  OH  TYR A 203      19.496 -11.146 -14.692  1.00 18.93           O  
+ATOM   1582  N   PRO A 204      25.181 -16.554 -11.169  1.00 18.13           N  
+ATOM   1583  CA  PRO A 204      26.001 -17.326 -10.245  1.00 17.89           C  
+ATOM   1584  C   PRO A 204      25.905 -16.718  -8.864  1.00 17.11           C  
+ATOM   1585  O   PRO A 204      25.905 -15.480  -8.771  1.00 18.55           O  
+ATOM   1586  CB  PRO A 204      27.440 -17.120 -10.766  1.00 19.77           C  
+ATOM   1587  CG  PRO A 204      27.373 -16.070 -11.818  1.00 20.03           C  
+ATOM   1588  CD  PRO A 204      25.961 -15.878 -12.211  1.00 17.78           C  
+ATOM   1589  N   ILE A 205      25.792 -17.566  -7.855  1.00 17.36           N  
+ATOM   1590  CA  ILE A 205      25.810 -17.109  -6.472  1.00 16.75           C  
+ATOM   1591  C   ILE A 205      27.160 -17.562  -5.917  1.00 18.22           C  
+ATOM   1592  O   ILE A 205      27.458 -18.775  -5.829  1.00 19.73           O  
+ATOM   1593  CB  ILE A 205      24.634 -17.685  -5.663  1.00 17.09           C  
+ATOM   1594  CG1 ILE A 205      23.309 -17.189  -6.240  1.00 18.02           C  
+ATOM   1595  CG2 ILE A 205      24.783 -17.265  -4.190  1.00 19.57           C  
+ATOM   1596  CD1 ILE A 205      22.083 -17.827  -5.600  1.00 17.84           C  
+ATOM   1597  N   GLN A 206      28.023 -16.594  -5.648  1.00 16.15           N  
+ATOM   1598  CA  GLN A 206      29.388 -16.853  -5.190  1.00 15.78           C  
+ATOM   1599  C   GLN A 206      29.480 -16.696  -3.696  1.00 17.50           C  
+ATOM   1600  O   GLN A 206      28.876 -15.790  -3.120  1.00 18.41           O  
+ATOM   1601  CB  GLN A 206      30.333 -15.850  -5.867  1.00 15.65           C  
+ATOM   1602  CG  GLN A 206      30.303 -15.987  -7.365  1.00 18.97           C  
+ATOM   1603  CD  GLN A 206      31.011 -14.893  -8.094  1.00 23.00           C  
+ATOM   1604  OE1 GLN A 206      31.338 -13.866  -7.526  1.00 22.61           O  
+ATOM   1605  NE2 GLN A 206      31.241 -15.102  -9.390  1.00 27.66           N  
+ATOM   1606  N   LEU A 207      30.228 -17.581  -3.041  1.00 16.00           N  
+ATOM   1607  CA  LEU A 207      30.426 -17.500  -1.612  1.00 15.46           C  
+ATOM   1608  C   LEU A 207      31.925 -17.327  -1.397  1.00 16.12           C  
+ATOM   1609  O   LEU A 207      32.731 -18.086  -1.938  1.00 16.52           O  
+ATOM   1610  CB  LEU A 207      29.940 -18.752  -0.873  1.00 16.44           C  
+ATOM   1611  CG  LEU A 207      30.187 -18.793   0.630  1.00 18.88           C  
+ATOM   1612  CD1 LEU A 207      29.480 -17.631   1.321  1.00 17.94           C  
+ATOM   1613  CD2 LEU A 207      29.738 -20.133   1.215  1.00 23.10           C  
+ATOM   1614  N   VAL A 208      32.280 -16.280  -0.662  1.00 14.72           N  
+ATOM   1615  CA  VAL A 208      33.667 -15.925  -0.407  1.00 16.89           C  
+ATOM   1616  C   VAL A 208      34.009 -16.453   0.958  1.00 18.46           C  
+ATOM   1617  O   VAL A 208      33.405 -16.106   1.967  1.00 20.57           O  
+ATOM   1618  CB  VAL A 208      33.865 -14.417  -0.420  1.00 16.76           C  
+ATOM   1619  CG1 VAL A 208      35.337 -14.062  -0.102  1.00 18.10           C  
+ATOM   1620  CG2 VAL A 208      33.439 -13.856  -1.742  1.00 16.87           C  
+ATOM   1621  N   VAL A 209      34.938 -17.398   0.953  1.00 18.67           N  
+ATOM   1622  CA  VAL A 209      35.324 -18.140   2.143  1.00 20.96           C  
+ATOM   1623  C   VAL A 209      36.781 -17.880   2.423  1.00 20.78           C  
+ATOM   1624  O   VAL A 209      37.614 -17.883   1.515  1.00 19.48           O  
+ATOM   1625  CB  VAL A 209      35.129 -19.662   1.934  1.00 22.02           C  
+ATOM   1626  CG1 VAL A 209      35.595 -20.457   3.151  1.00 24.99           C  
+ATOM   1627  CG2 VAL A 209      33.678 -20.002   1.614  1.00 25.29           C  
+ATOM   1628  N   THR A 210      37.087 -17.630   3.685  1.00 22.10           N  
+ATOM   1629  CA  THR A 210      38.453 -17.347   4.073  1.00 24.71           C  
+ATOM   1630  C   THR A 210      38.948 -18.522   4.879  1.00 26.51           C  
+ATOM   1631  O   THR A 210      38.313 -18.890   5.881  1.00 28.31           O  
+ATOM   1632  CB  THR A 210      38.465 -16.058   4.913  1.00 24.35           C  
+ATOM   1633  OG1 THR A 210      38.021 -14.953   4.116  1.00 27.27           O  
+ATOM   1634  CG2 THR A 210      39.896 -15.664   5.290  1.00 26.08           C  
+ATOM   1635  N   LYS A 211      40.055 -19.127   4.459  1.00 27.01           N  
+ATOM   1636  CA  LYS A 211      40.613 -20.247   5.212  1.00 28.91           C  
+ATOM   1637  C   LYS A 211      42.111 -20.182   5.416  1.00 28.24           C  
+ATOM   1638  O   LYS A 211      42.858 -19.699   4.576  1.00 25.93           O  
+ATOM   1639  CB  LYS A 211      40.305 -21.563   4.536  1.00 29.59           C  
+ATOM   1640  CG  LYS A 211      41.080 -21.771   3.281  1.00 34.09           C  
+ATOM   1641  CD  LYS A 211      40.475 -22.924   2.489  1.00 40.10           C  
+ATOM   1642  CE  LYS A 211      41.184 -23.109   1.171  1.00 41.95           C  
+ATOM   1643  NZ  LYS A 211      41.722 -21.833   0.641  1.00 42.46           N  
+ATOM   1644  N   GLU A 212      42.537 -20.773   6.526  1.00 28.21           N  
+ATOM   1645  CA  GLU A 212      43.942 -20.751   6.879  1.00 28.49           C  
+ATOM   1646  C   GLU A 212      44.720 -21.797   6.103  1.00 28.75           C  
+ATOM   1647  O   GLU A 212      44.278 -22.945   5.925  1.00 28.90           O  
+ATOM   1648  CB  GLU A 212      44.126 -20.916   8.389  1.00 28.83           C  
+ATOM   1649  CG  GLU A 212      45.576 -20.737   8.777  1.00 32.00           C  
+ATOM   1650  CD  GLU A 212      45.821 -20.798  10.269  1.00 36.29           C  
+ATOM   1651  OE1 GLU A 212      44.870 -20.592  11.065  1.00 37.08           O  
+ATOM   1652  OE2 GLU A 212      46.994 -21.050  10.619  1.00 38.37           O  
+ATOM   1653  N   VAL A 213      45.864 -21.398   5.575  1.00 28.37           N  
+ATOM   1654  CA  VAL A 213      46.685 -22.329   4.853  1.00 30.34           C  
+ATOM   1655  C   VAL A 213      47.507 -23.074   5.893  1.00 32.13           C  
+ATOM   1656  O   VAL A 213      48.186 -22.459   6.715  1.00 32.70           O  
+ATOM   1657  CB  VAL A 213      47.612 -21.610   3.876  1.00 29.56           C  
+ATOM   1658  CG1 VAL A 213      48.610 -22.595   3.292  1.00 31.34           C  
+ATOM   1659  CG2 VAL A 213      46.773 -20.946   2.765  1.00 27.94           C  
+ATOM   1660  N   GLU A 214      47.425 -24.396   5.888  1.00 34.34           N  
+ATOM   1661  CA  GLU A 214      48.167 -25.166   6.890  1.00 36.09           C  
+ATOM   1662  C   GLU A 214      49.322 -25.926   6.250  1.00 37.21           C  
+ATOM   1663  O   GLU A 214      50.269 -25.321   5.741  1.00 39.17           O  
+ATOM   1664  CB  GLU A 214      47.235 -26.118   7.659  1.00 36.52           C  
+TER    1665      GLU A 214                                                      
+HETATM 1692  O   HOH A2001      33.747  10.121   4.457  1.00 32.57           O  
+HETATM 1693  O   HOH A2002      33.709  14.705   5.205  1.00 49.78           O  
+HETATM 1694  O   HOH A2003      33.271   8.020   7.785  1.00 58.21           O  
+HETATM 1695  O   HOH A2004      27.559  13.039   1.851  1.00 20.69           O  
+HETATM 1696  O   HOH A2005      31.138   7.178   5.627  1.00 21.41           O  
+HETATM 1697  O   HOH A2006      28.574  13.706   9.058  1.00 46.07           O  
+HETATM 1698  O   HOH A2007      28.546   8.223   7.731  1.00 47.90           O  
+HETATM 1699  O   HOH A2008      27.013   8.881   9.642  1.00 55.69           O  
+HETATM 1700  O   HOH A2009      19.244  16.751   3.298  1.00 47.51           O  
+HETATM 1701  O   HOH A2010      23.223  17.640  -0.465  1.00 46.37           O  
+HETATM 1702  O   HOH A2011      24.682  12.764   1.192  1.00 20.03           O  
+HETATM 1703  O   HOH A2012      20.694  17.297  -0.738  1.00 45.18           O  
+HETATM 1704  O   HOH A2013      15.432  15.295   7.785  1.00 58.87           O  
+HETATM 1705  O   HOH A2014      21.025  16.212   7.526  1.00 30.86           O  
+HETATM 1706  O   HOH A2015      23.312  14.391   9.095  1.00 41.06           O  
+HETATM 1707  O   HOH A2016       9.815  12.964  14.033  1.00 44.20           O  
+HETATM 1708  O   HOH A2017      13.186  13.501   5.450  1.00 30.26           O  
+HETATM 1709  O   HOH A2018       9.626  10.848   4.388  1.00 43.10           O  
+HETATM 1710  O   HOH A2019       7.195  -5.599  18.415  1.00 29.96           O  
+HETATM 1711  O   HOH A2020       4.979  -2.964  18.647  1.00 43.44           O  
+HETATM 1712  O   HOH A2021       7.820  10.702   7.609  1.00 52.23           O  
+HETATM 1713  O   HOH A2022       9.742   7.666  10.456  1.00 32.28           O  
+HETATM 1714  O   HOH A2023      34.096  -7.584 -21.398  1.00 50.17           O  
+HETATM 1715  O   HOH A2024       5.386   9.408   7.348  1.00 29.55           O  
+HETATM 1716  O   HOH A2025      16.816 -21.086  12.638  1.00 44.99           O  
+HETATM 1717  O   HOH A2026      -0.724   3.653   8.584  1.00 40.42           O  
+HETATM 1718  O   HOH A2027       1.970   7.976   7.998  1.00 48.15           O  
+HETATM 1719  O   HOH A2028      10.724 -19.006  -0.420  1.00 44.13           O  
+HETATM 1720  O   HOH A2029       0.985   6.010  12.113  1.00 24.51           O  
+HETATM 1721  O   HOH A2030       0.022   1.730  10.264  1.00 39.49           O  
+HETATM 1722  O   HOH A2031       4.293   5.768  13.068  1.00 21.25           O  
+HETATM 1723  O   HOH A2032      -0.683   3.969  12.617  1.00 28.82           O  
+HETATM 1724  O   HOH A2033      14.080  -9.374 -17.331  1.00 50.80           O  
+HETATM 1725  O   HOH A2034      10.771 -10.592 -11.300  1.00 50.97           O  
+HETATM 1726  O   HOH A2035      11.590  -0.678  18.374  1.00 54.51           O  
+HETATM 1727  O   HOH A2036       7.359  -3.326  17.547  1.00 28.45           O  
+HETATM 1728  O   HOH A2037      15.774   2.096 -13.401  1.00 53.74           O  
+HETATM 1729  O   HOH A2038      34.291   3.925   7.869  1.00 35.99           O  
+HETATM 1730  O   HOH A2039       7.691  -7.873  16.784  1.00 29.87           O  
+HETATM 1731  O   HOH A2040      23.338  -9.568 -20.564  1.00 43.52           O  
+HETATM 1732  O   HOH A2041      13.676 -10.496  14.803  1.00 19.74           O  
+HETATM 1733  O   HOH A2042      10.247  -9.320  21.199  1.00 46.54           O  
+HETATM 1734  O   HOH A2043      29.672  -7.656 -21.175  1.00 33.76           O  
+HETATM 1735  O   HOH A2044      33.311  -4.878 -21.320  1.00 33.21           O  
+HETATM 1736  O   HOH A2045      14.148 -12.319  18.248  1.00 46.87           O  
+HETATM 1737  O   HOH A2046       5.842  -9.807  16.214  1.00 53.42           O  
+HETATM 1738  O   HOH A2047      26.047  -9.925 -20.577  1.00 44.12           O  
+HETATM 1739  O   HOH A2048      28.205 -11.828 -19.169  1.00 51.59           O  
+HETATM 1740  O   HOH A2049       7.018 -11.690  18.103  1.00 32.69           O  
+HETATM 1741  O   HOH A2050      13.171 -16.808  18.103  1.00 50.75           O  
+HETATM 1742  O   HOH A2051       7.630 -18.652  15.001  1.00 35.22           O  
+HETATM 1743  O   HOH A2052      36.591 -10.836  -1.292  1.00 25.85           O  
+HETATM 1744  O   HOH A2053      34.404  -0.608   6.743  1.00 35.57           O  
+HETATM 1745  O   HOH A2054       9.515 -19.777   6.620  1.00 44.50           O  
+HETATM 1746  O   HOH A2055      36.848 -10.426   6.341  1.00 47.63           O  
+HETATM 1747  O   HOH A2056      32.564  -3.096  10.771  1.00 35.13           O  
+HETATM 1748  O   HOH A2057      12.855 -13.652  14.741  1.00 52.07           O  
+HETATM 1749  O   HOH A2058      16.136 -11.184  17.442  1.00 28.92           O  
+HETATM 1750  O   HOH A2059      36.362  -8.361   1.620  1.00 47.82           O  
+HETATM 1751  O   HOH A2060      16.315 -17.988   2.804  1.00 22.44           O  
+HETATM 1752  O   HOH A2061      15.822 -20.072  10.246  1.00 27.61           O  
+HETATM 1753  O   HOH A2062      20.234  11.327  -9.762  1.00 40.85           O  
+HETATM 1754  O   HOH A2063      19.148  13.296  -3.775  1.00 29.51           O  
+HETATM 1755  O   HOH A2064      16.311  13.256  -3.672  1.00 36.26           O  
+HETATM 1756  O   HOH A2065      11.448 -16.597   0.466  1.00 44.29           O  
+HETATM 1757  O   HOH A2066       9.304 -13.992  -1.223  1.00 31.93           O  
+HETATM 1758  O   HOH A2067      12.407  -9.516  -1.443  1.00 23.52           O  
+HETATM 1759  O   HOH A2068      10.668 -12.597  -2.734  1.00 44.75           O  
+HETATM 1760  O   HOH A2069      12.596  -9.431  -5.073  1.00 27.46           O  
+HETATM 1761  O   HOH A2070       1.608  -8.482  14.147  1.00 48.32           O  
+HETATM 1762  O   HOH A2071      17.201 -15.025 -11.499  1.00 20.13           O  
+HETATM 1763  O   HOH A2072      13.549 -11.769  -8.192  1.00 39.83           O  
+HETATM 1764  O   HOH A2073       2.818 -18.261   3.819  1.00 31.04           O  
+HETATM 1765  O   HOH A2074       5.425 -14.277  14.059  1.00 48.07           O  
+HETATM 1766  O   HOH A2075       4.521 -19.472   2.688  1.00 51.72           O  
+HETATM 1767  O   HOH A2076      15.026 -11.956 -10.804  1.00 18.48           O  
+HETATM 1768  O   HOH A2077      16.542  -9.061 -17.872  1.00 24.53           O  
+HETATM 1769  O   HOH A2078      16.235 -13.882 -13.814  1.00 21.51           O  
+HETATM 1770  O   HOH A2079      12.907  -9.092 -12.533  1.00 32.28           O  
+HETATM 1771  O   HOH A2080      13.357 -13.438 -13.316  1.00 48.14           O  
+HETATM 1772  O   HOH A2081       6.007  -7.233  -5.401  1.00 38.88           O  
+HETATM 1773  O   HOH A2082      11.234  -4.797  -9.620  1.00 47.29           O  
+HETATM 1774  O   HOH A2083      12.365  -7.094 -14.089  1.00 39.72           O  
+HETATM 1775  O   HOH A2084      19.449 -10.326 -21.937  1.00 52.16           O  
+HETATM 1776  O   HOH A2085      16.931  -8.955 -20.507  1.00 32.52           O  
+HETATM 1777  O   HOH A2086      16.367  -1.783 -22.987  1.00 22.01           O  
+HETATM 1778  O   HOH A2087       9.857  -6.265 -22.362  1.00 44.47           O  
+HETATM 1779  O   HOH A2088      18.605  -2.743  18.020  1.00 42.52           O  
+HETATM 1780  O   HOH A2089      22.018  -0.385  16.840  1.00 52.01           O  
+HETATM 1781  O   HOH A2090      16.817   2.096 -16.069  1.00 44.15           O  
+HETATM 1782  O   HOH A2091      29.783   4.756   6.489  1.00 18.04           O  
+HETATM 1783  O   HOH A2092      32.753   1.754   6.853  1.00 30.74           O  
+HETATM 1784  O   HOH A2093      21.789  -7.514 -22.245  1.00 51.11           O  
+HETATM 1785  O   HOH A2094      17.713  -3.402 -28.791  1.00 23.17           O  
+HETATM 1786  O   HOH A2095      22.207   3.437 -26.628  1.00 34.75           O  
+HETATM 1787  O   HOH A2096      23.300  13.407  -9.476  1.00 49.06           O  
+HETATM 1788  O   HOH A2097      28.267  10.558 -11.801  1.00 47.12           O  
+HETATM 1789  O   HOH A2098      20.470  13.539  -6.157  1.00 31.00           O  
+HETATM 1790  O   HOH A2099      25.764   4.447 -22.312  1.00 50.74           O  
+HETATM 1791  O   HOH A2100      19.813   4.548 -22.413  1.00 34.72           O  
+HETATM 1792  O   HOH A2101      22.812   6.159 -22.746  1.00 43.07           O  
+HETATM 1793  O   HOH A2102      23.354  14.605  -5.862  1.00 41.52           O  
+HETATM 1794  O   HOH A2103      28.797  -4.073 -23.133  1.00 29.42           O  
+HETATM 1795  O   HOH A2104      29.444   2.561 -19.078  1.00 35.85           O  
+HETATM 1796  O   HOH A2105      25.471   1.632 -25.393  1.00 27.02           O  
+HETATM 1797  O   HOH A2106      10.464   2.869  16.169  1.00 36.03           O  
+HETATM 1798  O   HOH A2107      10.777   5.099  16.104  1.00 46.51           O  
+HETATM 1799  O   HOH A2108      24.228   7.807  12.189  1.00 37.70           O  
+HETATM 1800  O   HOH A2109      30.221  -2.262 -24.752  1.00 45.61           O  
+HETATM 1801  O   HOH A2110      34.608  -3.096 -19.352  1.00 31.03           O  
+HETATM 1802  O   HOH A2111      30.425  -4.992 -21.167  1.00 30.57           O  
+HETATM 1803  O   HOH A2112      38.033   7.670   6.586  1.00 45.05           O  
+HETATM 1804  O   HOH A2113      33.943   0.434 -13.436  1.00 30.07           O  
+HETATM 1805  O   HOH A2114      34.408  -7.884 -13.954  1.00 41.24           O  
+HETATM 1806  O   HOH A2115      34.588  -7.647 -10.005  1.00 49.62           O  
+HETATM 1807  O   HOH A2116      31.065  -4.292 -10.048  1.00 36.54           O  
+HETATM 1808  O   HOH A2117      34.993  -3.603 -12.266  1.00 61.19           O  
+HETATM 1809  O   HOH A2118      28.396  -8.597 -19.692  1.00 37.12           O  
+HETATM 1810  O   HOH A2119      35.488 -12.494 -15.453  1.00 49.36           O  
+HETATM 1811  O   HOH A2120      28.573 -12.382 -16.500  1.00 26.20           O  
+HETATM 1812  O   HOH A2121      28.107 -14.228 -14.841  1.00 34.66           O  
+HETATM 1813  O   HOH A2122      33.791  -8.680  -3.550  1.00 26.24           O  
+HETATM 1814  O   HOH A2123      33.175 -12.259 -11.103  1.00 49.68           O  
+HETATM 1815  O   HOH A2124      34.219  -9.996 -10.662  1.00 49.08           O  
+HETATM 1816  O   HOH A2125      33.931  -9.770  -1.084  1.00 18.44           O  
+HETATM 1817  O   HOH A2126      29.983 -10.073  -1.046  1.00 14.41           O  
+HETATM 1818  O   HOH A2127      34.283  -3.691   6.312  1.00 52.73           O  
+HETATM 1819  O   HOH A2128      35.538  -4.454   2.209  1.00 29.62           O  
+HETATM 1820  O   HOH A2129      36.664 -10.541   9.177  1.00 36.49           O  
+HETATM 1821  O   HOH A2130      31.256  -4.198  13.063  1.00 35.53           O  
+HETATM 1822  O   HOH A2131      27.222  -6.911  13.866  1.00 26.99           O  
+HETATM 1823  O   HOH A2132      37.101 -15.593   7.746  1.00 52.39           O  
+HETATM 1824  O   HOH A2133      30.500  -7.410  -0.778  1.00 13.69           O  
+HETATM 1825  O   HOH A2134      34.160  -7.429   0.825  1.00 33.98           O  
+HETATM 1826  O   HOH A2135      35.782  -6.720  -6.273  1.00 66.89           O  
+HETATM 1827  O   HOH A2136      29.267  -5.097  -7.639  1.00 29.60           O  
+HETATM 1828  O   HOH A2137      22.165  -3.147  -7.735  1.00 13.85           O  
+HETATM 1829  O   HOH A2138      22.769  -7.431  -3.061  1.00 13.68           O  
+HETATM 1830  O   HOH A2139      18.488   9.150  -9.990  1.00 25.35           O  
+HETATM 1831  O   HOH A2140      19.606  15.343  -1.375  1.00 52.39           O  
+HETATM 1832  O   HOH A2141      14.725  10.862  -3.931  1.00 31.08           O  
+HETATM 1833  O   HOH A2142      14.612   5.821 -10.892  1.00 55.31           O  
+HETATM 1834  O   HOH A2143      12.200  -1.654  -2.241  1.00 51.73           O  
+HETATM 1835  O   HOH A2144      10.959   2.029   0.664  1.00 25.94           O  
+HETATM 1836  O   HOH A2145      13.506   5.467  -7.080  1.00 29.28           O  
+HETATM 1837  O   HOH A2146      15.169   2.395  -8.938  1.00 31.22           O  
+HETATM 1838  O   HOH A2147       4.033   3.054  -1.673  1.00 34.89           O  
+HETATM 1839  O   HOH A2148       5.131   1.970  -4.088  1.00 56.69           O  
+HETATM 1840  O   HOH A2149       0.961   0.694   2.756  1.00 53.48           O  
+HETATM 1841  O   HOH A2150       0.208  -0.805   0.182  1.00 63.56           O  
+HETATM 1842  O   HOH A2151       4.955  -0.340  -1.556  1.00 27.21           O  
+HETATM 1843  O   HOH A2152       3.379  -1.312  -3.190  1.00 58.54           O  
+HETATM 1844  O   HOH A2153      -1.034  -1.615   1.915  1.00 51.43           O  
+HETATM 1845  O   HOH A2154      -3.224  -6.840   3.824  1.00 25.45           O  
+HETATM 1846  O   HOH A2155       1.254  -6.272  12.544  1.00 31.09           O  
+HETATM 1847  O   HOH A2156      -5.168  -5.239   4.613  1.00 37.32           O  
+HETATM 1848  O   HOH A2157      -0.546 -12.464  14.572  1.00 50.75           O  
+HETATM 1849  O   HOH A2158      -7.125 -13.907  11.515  1.00 27.06           O  
+HETATM 1850  O   HOH A2159       1.579 -13.312  11.846  1.00 24.93           O  
+HETATM 1851  O   HOH A2160       0.857 -17.223   5.449  1.00 21.33           O  
+HETATM 1852  O   HOH A2161       4.676 -15.628  11.148  1.00 25.06           O  
+HETATM 1853  O   HOH A2162       7.007 -14.064   0.040  1.00 31.41           O  
+HETATM 1854  O   HOH A2163       6.080 -17.938   1.677  1.00 39.12           O  
+HETATM 1855  O   HOH A2164      10.457 -15.572   2.671  1.00 33.56           O  
+HETATM 1856  O   HOH A2165      10.159 -10.251  -4.187  1.00 48.00           O  
+HETATM 1857  O   HOH A2166       9.429  -7.796  -4.315  1.00 37.01           O  
+HETATM 1858  O   HOH A2167       4.814  -2.958  -2.288  1.00 46.44           O  
+HETATM 1859  O   HOH A2168      11.047  -2.826  -0.349  1.00 34.82           O  
+HETATM 1860  O   HOH A2169       8.941  -3.737  -4.283  1.00 40.05           O  
+HETATM 1861  O   HOH A2170      10.451  -7.658  -1.890  1.00 19.13           O  
+HETATM 1862  O   HOH A2171      12.188  -5.430  -0.981  1.00 15.91           O  
+HETATM 1863  O   HOH A2172      19.161  -1.397  15.886  1.00 23.93           O  
+HETATM 1864  O   HOH A2173      26.999  -2.330  14.962  1.00 39.70           O  
+HETATM 1865  O   HOH A2174      23.099   3.514  12.298  1.00 37.26           O  
+HETATM 1866  O   HOH A2175      31.131   0.957   8.906  1.00 40.05           O  
+HETATM 1867  O   HOH A2176      30.373   2.342   5.102  1.00 15.11           O  
+HETATM 1868  O   HOH A2177      30.596   3.985   9.020  1.00 38.44           O  
+HETATM 1869  O   HOH A2178      31.666   4.877 -13.133  1.00 41.68           O  
+HETATM 1870  O   HOH A2179      30.494   6.983 -12.624  1.00 40.29           O  
+HETATM 1871  O   HOH A2180      20.451   3.128 -11.055  1.00 22.03           O  
+HETATM 1872  O   HOH A2181      29.108   5.672 -15.226  1.00 34.41           O  
+HETATM 1873  O   HOH A2182      28.703   2.516 -12.265  1.00 17.07           O  
+HETATM 1874  O   HOH A2183      23.535   1.628 -13.576  1.00 17.83           O  
+HETATM 1875  O   HOH A2184      21.273   5.907 -17.738  1.00 50.87           O  
+HETATM 1876  O   HOH A2185      21.984   3.072 -15.303  1.00 26.93           O  
+HETATM 1877  O   HOH A2186      22.711  11.305 -10.623  1.00 34.98           O  
+HETATM 1878  O   HOH A2187      20.971  11.101  -7.254  1.00 19.37           O  
+HETATM 1879  O   HOH A2188      26.666  12.423 -10.187  1.00 37.43           O  
+HETATM 1880  O   HOH A2189      24.958   5.597  -7.357  1.00 12.07           O  
+HETATM 1881  O   HOH A2190      31.900   7.765  -6.287  1.00 25.46           O  
+HETATM 1882  O   HOH A2191      32.348   3.335  -7.443  1.00 21.78           O  
+HETATM 1883  O   HOH A2192      25.775  12.889  -6.393  1.00 29.40           O  
+HETATM 1884  O   HOH A2193      25.495  14.528  -2.207  1.00 31.63           O  
+HETATM 1885  O   HOH A2194      27.071   5.432   6.808  1.00 21.07           O  
+HETATM 1886  O   HOH A2195      28.234   4.586  10.557  1.00 38.13           O  
+HETATM 1887  O   HOH A2196      21.641   4.911  11.307  1.00 40.19           O  
+HETATM 1888  O   HOH A2197      16.950   3.681  10.690  1.00 18.82           O  
+HETATM 1889  O   HOH A2198      11.383   1.203  14.010  1.00 27.48           O  
+HETATM 1890  O   HOH A2199      13.510   6.173  15.897  1.00 33.83           O  
+HETATM 1891  O   HOH A2200      17.171   5.986  13.164  1.00 26.84           O  
+HETATM 1892  O   HOH A2201      24.847   6.843   9.729  1.00 27.95           O  
+HETATM 1893  O   HOH A2202      25.207   7.006   5.386  1.00 13.78           O  
+HETATM 1894  O   HOH A2203      32.208   8.176   3.262  1.00 17.45           O  
+HETATM 1895  O   HOH A2204      31.820   8.099  -3.943  1.00 32.49           O  
+HETATM 1896  O   HOH A2205      38.053   8.694   3.624  1.00 24.83           O  
+HETATM 1897  O   HOH A2206      36.650  10.979   3.803  1.00 41.97           O  
+HETATM 1898  O   HOH A2207      32.772  -4.295   1.060  1.00 20.64           O  
+HETATM 1899  O   HOH A2208      32.714  -7.054  -2.270  1.00 24.05           O  
+HETATM 1900  O   HOH A2209      36.073  -7.326  -3.725  1.00 25.93           O  
+HETATM 1901  O   HOH A2210      34.655  -1.987   1.654  1.00 17.99           O  
+HETATM 1902  O   HOH A2211      38.523  -0.287  -4.324  1.00 20.07           O  
+HETATM 1903  O   HOH A2212      35.289  -4.075  -5.505  1.00 40.56           O  
+HETATM 1904  O   HOH A2213      33.693   5.876  -6.818  1.00 31.65           O  
+HETATM 1905  O   HOH A2214      32.365   2.462 -11.884  1.00 26.27           O  
+HETATM 1906  O   HOH A2215      34.595  -3.437  -8.655  1.00 46.95           O  
+HETATM 1907  O   HOH A2216      25.837  -5.742  15.288  1.00 48.15           O  
+HETATM 1908  O   HOH A2217      22.773  -8.138  19.038  1.00 35.22           O  
+HETATM 1909  O   HOH A2218      25.248 -16.127  17.483  1.00 27.88           O  
+HETATM 1910  O   HOH A2219      26.127  -7.988  17.249  1.00 36.17           O  
+HETATM 1911  O   HOH A2220      27.294 -13.974  20.654  1.00 48.98           O  
+HETATM 1912  O   HOH A2221      18.464 -11.345  18.841  1.00 40.89           O  
+HETATM 1913  O   HOH A2222      20.977 -11.020  19.860  1.00 49.66           O  
+HETATM 1914  O   HOH A2223      19.611 -18.444  17.688  1.00 58.45           O  
+HETATM 1915  O   HOH A2224      23.269 -17.967  15.359  1.00 24.84           O  
+HETATM 1916  O   HOH A2225      18.323 -17.877  13.008  1.00 26.68           O  
+HETATM 1917  O   HOH A2226      17.437 -17.544  16.599  1.00 51.77           O  
+HETATM 1918  O   HOH A2227      29.751 -17.749  13.287  1.00 34.64           O  
+HETATM 1919  O   HOH A2228      19.338 -19.666  15.402  1.00 42.64           O  
+HETATM 1920  O   HOH A2229      19.113 -22.387  13.068  1.00 39.64           O  
+HETATM 1921  O   HOH A2230      32.993 -16.812   8.503  1.00 44.59           O  
+HETATM 1922  O   HOH A2231      32.860 -18.513   6.403  1.00 46.34           O  
+HETATM 1923  O   HOH A2232      36.492 -24.040   3.357  1.00 52.41           O  
+HETATM 1924  O   HOH A2233      34.602 -21.972   6.289  1.00 39.49           O  
+HETATM 1925  O   HOH A2234      32.888 -20.956   7.919  1.00 43.01           O  
+HETATM 1926  O   HOH A2235      35.270 -24.422   1.034  1.00 49.99           O  
+HETATM 1927  O   HOH A2236      31.033 -23.956   8.011  1.00 31.63           O  
+HETATM 1928  O   HOH A2237      25.695 -27.043   3.447  1.00 40.30           O  
+HETATM 1929  O   HOH A2238      19.988 -27.212   2.120  1.00 39.11           O  
+HETATM 1930  O   HOH A2239      18.327 -26.462  -5.000  1.00 63.36           O  
+HETATM 1931  O   HOH A2240      13.601 -21.438   5.691  1.00 74.16           O  
+HETATM 1932  O   HOH A2241      16.123 -16.122  -3.584  1.00 22.16           O  
+HETATM 1933  O   HOH A2242      18.009 -18.650   0.335  1.00 23.06           O  
+HETATM 1934  O   HOH A2243      19.825 -21.212  -7.504  1.00 45.98           O  
+HETATM 1935  O   HOH A2244      14.921 -16.420 -11.269  1.00 25.34           O  
+HETATM 1936  O   HOH A2245      15.055 -20.293  -6.721  1.00 52.72           O  
+HETATM 1937  O   HOH A2246      21.697 -19.022 -16.150  1.00 45.59           O  
+HETATM 1938  O   HOH A2247      24.798 -18.394 -14.646  1.00 43.45           O  
+HETATM 1939  O   HOH A2248      22.656 -19.813  -9.663  1.00 30.78           O  
+HETATM 1940  O   HOH A2249      31.014 -17.921 -10.745  1.00 42.17           O  
+HETATM 1941  O   HOH A2250      31.584 -13.848 -12.033  1.00 55.19           O  
+HETATM 1942  O   HOH A2251      34.869 -14.722   3.970  1.00 25.72           O  
+HETATM 1943  O   HOH A2252      35.003 -17.198   5.681  1.00 38.13           O  
+HETATM 1944  O   HOH A2253      37.393 -12.101   4.512  1.00 52.80           O  
+HETATM 1945  O   HOH A2254      39.159 -20.600   1.562  1.00 41.31           O  
+HETATM 1946  O   HOH A2255      48.702 -20.387   8.539  1.00 30.44           O  
+HETATM 1947  O   HOH A2256      45.978 -25.641   3.122  1.00 39.05           O  
+HETATM 1948  O   HOH A2257      47.493 -26.980   4.869  1.00 60.05           O  
+HETATM 1949  O   HOH A2258      20.380  -7.911  -1.824  1.00 15.88           O  
+CONECT 1666 1667 1673                                                           
+CONECT 1667 1666 1668 1670                                                      
+CONECT 1668 1667 1686                                                           
+CONECT 1669 1670 1689                                                           
+CONECT 1670 1667 1669 1671                                                      
+CONECT 1671 1670 1672                                                           
+CONECT 1672 1671 1673                                                           
+CONECT 1673 1666 1672 1674                                                      
+CONECT 1674 1673 1675 1678                                                      
+CONECT 1675 1674 1676 1677                                                      
+CONECT 1676 1675                                                                
+CONECT 1677 1675 1679                                                           
+CONECT 1678 1674 1679 1680                                                      
+CONECT 1679 1677 1678                                                           
+CONECT 1680 1678 1681 1690                                                      
+CONECT 1681 1680 1682                                                           
+CONECT 1682 1681 1683 1685                                                      
+CONECT 1683 1682 1684                                                           
+CONECT 1684 1683                                                                
+CONECT 1685 1682 1687 1688                                                      
+CONECT 1686 1668 1689                                                           
+CONECT 1687 1685                                                                
+CONECT 1688 1685 1690                                                           
+CONECT 1689 1669 1686                                                           
+CONECT 1690 1680 1688 1691                                                      
+CONECT 1691 1690                                                                
+MASTER      390    0    1   10    8    0    4    6 1948    1   26   17          
+END                                                                             
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2brc_info.txt	Mon Aug 12 13:27:10 2019 -0400
@@ -0,0 +1,210 @@
+Pocket 1 :
+	Score : 	0.408
+	Druggability Score : 	0.180
+	Number of Alpha Spheres : 	32
+	Total SASA : 	96.965
+	Polar SASA : 	25.715
+	Apolar SASA : 	71.250
+	Volume : 	382.870
+	Mean local hydrophobic density : 	25.556
+	Mean alpha sphere radius :	3.999
+	Mean alp. sph. solvent access : 	0.537
+	Apolar alpha sphere proportion : 	0.844
+	Hydrophobicity score:	61.500
+	Volume score: 	 3.875
+	Polarity score:	 2
+	Charge score :	 0
+	Proportion of polar atoms: 	31.818
+	Alpha sphere density : 	3.752
+	Cent. of mass - Alpha Sphere max dist: 	8.155
+	Flexibility : 	0.497
+
+Pocket 2 :
+	Score : 	0.369
+	Druggability Score : 	0.054
+	Number of Alpha Spheres : 	30
+	Total SASA : 	86.527
+	Polar SASA : 	22.523
+	Apolar SASA : 	64.004
+	Volume : 	253.729
+	Mean local hydrophobic density : 	14.875
+	Mean alpha sphere radius :	3.824
+	Mean alp. sph. solvent access : 	0.418
+	Apolar alpha sphere proportion : 	0.533
+	Hydrophobicity score:	54.333
+	Volume score: 	 4.000
+	Polarity score:	 3
+	Charge score :	 -1
+	Proportion of polar atoms: 	31.818
+	Alpha sphere density : 	3.241
+	Cent. of mass - Alpha Sphere max dist: 	7.463
+	Flexibility : 	0.061
+
+Pocket 3 :
+	Score : 	0.324
+	Druggability Score : 	0.026
+	Number of Alpha Spheres : 	24
+	Total SASA : 	84.602
+	Polar SASA : 	21.805
+	Apolar SASA : 	62.797
+	Volume : 	303.063
+	Mean local hydrophobic density : 	13.500
+	Mean alpha sphere radius :	3.858
+	Mean alp. sph. solvent access : 	0.517
+	Apolar alpha sphere proportion : 	0.667
+	Hydrophobicity score:	13.600
+	Volume score: 	 5.600
+	Polarity score:	 4
+	Charge score :	 1
+	Proportion of polar atoms: 	33.333
+	Alpha sphere density : 	3.743
+	Cent. of mass - Alpha Sphere max dist: 	8.961
+	Flexibility : 	0.624
+
+Pocket 4 :
+	Score : 	0.304
+	Druggability Score : 	0.023
+	Number of Alpha Spheres : 	24
+	Total SASA : 	131.017
+	Polar SASA : 	37.634
+	Apolar SASA : 	93.383
+	Volume : 	454.302
+	Mean local hydrophobic density : 	11.143
+	Mean alpha sphere radius :	4.002
+	Mean alp. sph. solvent access : 	0.676
+	Apolar alpha sphere proportion : 	0.583
+	Hydrophobicity score:	31.000
+	Volume score: 	 3.556
+	Polarity score:	 4
+	Charge score :	 -1
+	Proportion of polar atoms: 	45.833
+	Alpha sphere density : 	5.452
+	Cent. of mass - Alpha Sphere max dist: 	12.168
+	Flexibility : 	0.430
+
+Pocket 5 :
+	Score : 	0.242
+	Druggability Score : 	0.000
+	Number of Alpha Spheres : 	25
+	Total SASA : 	71.098
+	Polar SASA : 	32.454
+	Apolar SASA : 	38.644
+	Volume : 	248.857
+	Mean local hydrophobic density : 	6.000
+	Mean alpha sphere radius :	4.116
+	Mean alp. sph. solvent access : 	0.593
+	Apolar alpha sphere proportion : 	0.280
+	Hydrophobicity score:	4.286
+	Volume score: 	 3.857
+	Polarity score:	 6
+	Charge score :	 0
+	Proportion of polar atoms: 	55.556
+	Alpha sphere density : 	2.064
+	Cent. of mass - Alpha Sphere max dist: 	4.963
+	Flexibility : 	0.458
+
+Pocket 6 :
+	Score : 	0.214
+	Druggability Score : 	0.000
+	Number of Alpha Spheres : 	15
+	Total SASA : 	60.464
+	Polar SASA : 	27.858
+	Apolar SASA : 	32.606
+	Volume : 	227.733
+	Mean local hydrophobic density : 	2.000
+	Mean alpha sphere radius :	3.730
+	Mean alp. sph. solvent access : 	0.433
+	Apolar alpha sphere proportion : 	0.200
+	Hydrophobicity score:	46.667
+	Volume score: 	 4.000
+	Polarity score:	 3
+	Charge score :	 0
+	Proportion of polar atoms: 	40.000
+	Alpha sphere density : 	2.986
+	Cent. of mass - Alpha Sphere max dist: 	6.120
+	Flexibility : 	0.447
+
+Pocket 7 :
+	Score : 	0.173
+	Druggability Score : 	0.000
+	Number of Alpha Spheres : 	19
+	Total SASA : 	66.915
+	Polar SASA : 	34.309
+	Apolar SASA : 	32.606
+	Volume : 	236.449
+	Mean local hydrophobic density : 	3.000
+	Mean alpha sphere radius :	4.040
+	Mean alp. sph. solvent access : 	0.553
+	Apolar alpha sphere proportion : 	0.211
+	Hydrophobicity score:	22.111
+	Volume score: 	 3.889
+	Polarity score:	 6
+	Charge score :	 1
+	Proportion of polar atoms: 	56.250
+	Alpha sphere density : 	2.154
+	Cent. of mass - Alpha Sphere max dist: 	5.576
+	Flexibility : 	0.571
+
+Pocket 8 :
+	Score : 	0.140
+	Druggability Score : 	0.001
+	Number of Alpha Spheres : 	18
+	Total SASA : 	67.693
+	Polar SASA : 	33.879
+	Apolar SASA : 	33.814
+	Volume : 	222.256
+	Mean local hydrophobic density : 	7.000
+	Mean alpha sphere radius :	3.970
+	Mean alp. sph. solvent access : 	0.559
+	Apolar alpha sphere proportion : 	0.444
+	Hydrophobicity score:	19.833
+	Volume score: 	 5.167
+	Polarity score:	 4
+	Charge score :	 2
+	Proportion of polar atoms: 	43.750
+	Alpha sphere density : 	2.012
+	Cent. of mass - Alpha Sphere max dist: 	4.964
+	Flexibility : 	0.333
+
+Pocket 9 :
+	Score : 	0.133
+	Druggability Score : 	0.000
+	Number of Alpha Spheres : 	17
+	Total SASA : 	54.304
+	Polar SASA : 	20.490
+	Apolar SASA : 	33.814
+	Volume : 	183.135
+	Mean local hydrophobic density : 	2.000
+	Mean alpha sphere radius :	4.035
+	Mean alp. sph. solvent access : 	0.729
+	Apolar alpha sphere proportion : 	0.176
+	Hydrophobicity score:	-26.333
+	Volume score: 	 3.667
+	Polarity score:	 6
+	Charge score :	 -1
+	Proportion of polar atoms: 	50.000
+	Alpha sphere density : 	1.532
+	Cent. of mass - Alpha Sphere max dist: 	3.484
+	Flexibility : 	0.621
+
+Pocket 10 :
+	Score : 	0.114
+	Druggability Score : 	0.001
+	Number of Alpha Spheres : 	19
+	Total SASA : 	86.620
+	Polar SASA : 	32.277
+	Apolar SASA : 	54.343
+	Volume : 	190.741
+	Mean local hydrophobic density : 	6.000
+	Mean alpha sphere radius :	3.840
+	Mean alp. sph. solvent access : 	0.424
+	Apolar alpha sphere proportion : 	0.368
+	Hydrophobicity score:	22.857
+	Volume score: 	 3.857
+	Polarity score:	 2
+	Charge score :	 -1
+	Proportion of polar atoms: 	37.500
+	Alpha sphere density : 	2.412
+	Cent. of mass - Alpha Sphere max dist: 	5.289
+	Flexibility : 	0.728
+
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/custom_pockets.pqr	Mon Aug 12 13:27:10 2019 -0400
@@ -0,0 +1,60 @@
+HEADER
+HEADER This is a pqr format file writen by the programm fpocket.                 
+HEADER It contains all the pocket vertices found by fpocket.                    
+ATOM      1    O STP     1      22.235   5.785  11.829    0.00     4.54
+ATOM      2    O STP     1      24.944   5.482  14.095    0.00     5.40
+ATOM      3    O STP     1      23.325   6.121  12.557    0.00     4.91
+ATOM      4    C STP     1      23.075   5.982  12.334    0.00     4.79
+ATOM      5    C STP     1      23.220   6.029  11.947    0.00     4.51
+ATOM      6    C STP     1      23.185   4.250  12.539    0.00     4.13
+ATOM      7    O STP     1      24.015   4.397  13.299    0.00     4.47
+ATOM      8    O STP     1      21.392   6.291  11.964    0.00     4.39
+ATOM      9    O STP     1      21.439   6.103  11.763    0.00     4.37
+ATOM     10    O STP     1      22.473   5.862  11.169    0.00     4.07
+ATOM     11    O STP     1      23.267   6.052  11.527    0.00     4.22
+ATOM     12    O STP     1      21.784   5.960  11.813    0.00     4.44
+ATOM     13    O STP     1      21.539   6.105  11.851    0.00     4.41
+ATOM     14    O STP     1      21.552   6.052  11.794    0.00     4.40
+ATOM     15    O STP     1      22.174   5.648  11.802    0.00     4.47
+ATOM     16    O STP     1      21.898   4.956  11.553    0.00     4.04
+ATOM     17    C STP     1      22.737   4.444  12.246    0.00     4.04
+ATOM     18    C STP     1      23.607   3.963  12.947    0.00     4.20
+ATOM     19    O STP     1      23.654   3.917  12.908    0.00     4.14
+ATOM     20    O STP     1      21.171   6.959  12.487    0.00     4.46
+ATOM     21    O STP     2      15.143  -2.441  -4.373    0.00     4.87
+ATOM     22    O STP     2      13.315  -2.689  -5.008    0.00     5.31
+ATOM     23    O STP     2      15.522  -2.882  -5.276    0.00     5.08
+ATOM     24    C STP     2      15.995  -2.955  -4.856    0.00     4.82
+ATOM     25    O STP     2      13.095  -2.490  -4.004    0.00     5.03
+ATOM     26    C STP     2      13.183  -1.721  -5.144    0.00     4.48
+ATOM     27    O STP     2      12.781  -3.134  -5.440    0.00     5.47
+ATOM     28    O STP     2      12.861  -2.571  -3.836    0.00     4.99
+ATOM     29    O STP     2      12.884  -2.675  -2.474    0.00     4.53
+ATOM     30    O STP     2      12.590  -3.183  -5.255    0.00     5.41
+ATOM     31    O STP     2      13.360  -2.540  -2.472    0.00     4.44
+ATOM     32    O STP     2      13.700  -2.356  -3.546    0.00     4.77
+ATOM     33    C STP     2      15.868  -2.633  -3.988    0.00     4.59
+ATOM     34    C STP     2      15.151  -2.431  -4.329    0.00     4.85
+ATOM     35    C STP     2      14.118  -2.694  -7.846    0.00     5.29
+ATOM     36    O STP     2      13.022  -3.130  -6.128    0.00     5.74
+ATOM     37    O STP     2      15.554  -2.894  -5.340    0.00     5.08
+ATOM     38    C STP     2      16.099  -3.003  -5.155    0.00     4.86
+ATOM     39    O STP     2      14.105  -3.171  -6.160    0.00     5.44
+ATOM     40    O STP     2      15.257  -2.955  -5.446    0.00     5.12
+ATOM     41    O STP     2      15.188  -2.969  -5.479    0.00     5.13
+ATOM     42    O STP     2      15.213  -2.988  -5.463    0.00     5.11
+ATOM     43    C STP     2      15.550  -2.204  -8.230    0.00     4.87
+ATOM     44    C STP     2      14.802  -2.746  -7.776    0.00     5.21
+ATOM     45    C STP     2      14.991  -3.351  -8.348    0.00     4.52
+ATOM     46    C STP     2      16.789  -1.762  -7.588    0.00     4.46
+ATOM     47    C STP     2      15.635  -2.200  -8.169    0.00     4.85
+ATOM     48    C STP     2      17.600  -2.165  -6.557    0.00     4.14
+ATOM     49    C STP     2      16.541  -2.876  -5.796    0.00     4.72
+ATOM     50    C STP     2      16.721  -2.043  -6.937    0.00     4.51
+ATOM     51    O STP     2      16.042  -2.737  -6.112    0.00     4.93
+ATOM     52    O STP     2      15.126  -3.117  -7.369    0.00     4.96
+ATOM     53    C STP     2      15.094  -3.059  -7.417    0.00     5.00
+ATOM     54    O STP     2      14.998  -2.901  -7.258    0.00     5.19
+ATOM     55    C STP     2      14.975  -2.857  -7.412    0.00     5.19
+TER
+END
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/pocket1_atm.pdb	Mon Aug 12 13:27:10 2019 -0400
@@ -0,0 +1,44 @@
+HEADER
+HEADER This is a pdb format file writen by the programm fpocket.                 
+HEADER It represents the atoms contacted by the voronoi vertices of the pocket.  
+HEADER                                                                           
+HEADER Information about the pocket     1:
+HEADER 0  - Pocket Score                      : 0.4077
+HEADER 1  - Drug Score                        : 0.1805
+HEADER 2  - Number of alpha spheres           :    32
+HEADER 3  - Mean alpha-sphere radius          : 3.9986
+HEADER 4  - Mean alpha-sphere Solvent Acc.    : 0.5373
+HEADER 5  - Mean B-factor of pocket residues  : 0.4975
+HEADER 6  - Hydrophobicity Score              : 61.5000
+HEADER 7  - Polarity Score                    :     2
+HEADER 8  - Amino Acid based volume Score     : 3.8750
+HEADER 9  - Pocket volume (Monte Carlo)       : 382.8695
+HEADER 10  -Pocket volume (convex hull)       : 30.1615
+HEADER 11 - Charge Score                      :     0
+HEADER 12 - Local hydrophobic density Score   : 25.5556
+HEADER 13 - Number of apolar alpha sphere     :    27
+HEADER 14 - Proportion of apolar alpha sphere : 0.8438
+ATOM    824    C LEU A 108      -0.296 -10.140  11.088  0.00  0.00           C 0
+ATOM    830    N SER A 109      -1.070  -9.074  11.216  0.00  0.00           N 0
+ATOM    831   CA SER A 109      -2.043  -8.976  12.305  0.00  0.00           C 0
+ATOM    826   CB LEU A 108       1.927  -9.300  10.337  0.00  0.00           C 0
+ATOM    825    O LEU A 108      -0.379 -11.116  11.836  0.00  0.00           O 0
+ATOM    140  CD2 LEU A  18       5.097  -5.086  15.037  0.00  0.00           C 0
+ATOM    803    O MET A 105      -0.195  -6.553  10.014  0.46  2.14           O 0
+ATOM    835   OG SER A 109      -2.353  -6.599  12.613  0.00  0.00           O 0
+ATOM    135    C LEU A  18       8.999  -6.439  13.809  0.00  0.00           C 0
+ATOM    828  CD1 LEU A 108       4.257  -8.547   9.875  0.00  0.00           C 0
+ATOM    146  CG1 ILE A  19       9.936  -7.046   9.942  0.00  0.00           C 0
+ATOM    136    O LEU A  18       9.127  -7.436  14.524  0.62  2.14           O 0
+ATOM    137   CB LEU A  18       6.757  -5.487  13.252  0.00  0.00           C 0
+ATOM    169   CB THR A  22       9.130 -10.655  15.002  0.00  0.00           C 0
+ATOM    829  CD2 LEU A 108       3.635 -10.934   9.401  0.00  0.00           C 0
+ATOM    170  OG1 THR A  22       8.375 -11.870  15.047  0.00  0.00           O 0
+ATOM    864  CG2 VAL A 114       6.941 -12.860  10.496  0.00  0.00           C 0
+ATOM    863  CG1 VAL A 114       8.697 -12.396   8.764  0.00  0.00           C 0
+ATOM    171  CG2 THR A  22      10.194 -10.923  13.921  0.00  0.00           C 0
+ATOM    848    O ALA A 112       2.150 -14.097   9.345  0.00  0.00           O 0
+ATOM    139  CD1 LEU A  18       4.408  -4.815  12.618  0.00  0.00           C 0
+ATOM    142   CA ILE A  19      10.680  -7.277  12.291  0.00  0.00           C 0
+TER
+END
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/pocket2_vert.pqr	Mon Aug 12 13:27:10 2019 -0400
@@ -0,0 +1,57 @@
+HEADER
+HEADER This is a pqr format file writen by the programm fpocket.                 
+HEADER It represent the voronoi vertices of a single pocket found by the         
+HEADER algorithm.                                                                
+HEADER                                                                           
+HEADER Information about the pocket     2:
+HEADER 0  - Pocket Score                      : 0.0437
+HEADER 1  - Drug Score                        : 0.0843
+HEADER 2  - Number of V. Vertices             :    35
+HEADER 3  - Mean alpha-sphere radius          : 4.9417
+HEADER 4  - Mean alpha-sphere SA              : 0.5173
+HEADER 5  - Mean B-factor                     : 0.3317
+HEADER 6  - Hydrophobicity Score              : 34.1818
+HEADER 7  - Polarity Score                    :     4
+HEADER 8  - Volume Score                      : 4.0000
+HEADER 9  - Real volume (approximation)       : 557.1453
+HEADER 10 - Charge Score                      :     0
+HEADER 11 - Local hydrophobic density Score   : 15.0000
+HEADER 12 - Number of apolar alpha sphere     :    16
+HEADER 13 - Proportion of apolar alpha sphere : 0.4571
+ATOM      1    O STP     2      15.143  -2.441  -4.373    0.00     4.87
+ATOM      2    O STP     2      13.315  -2.689  -5.008    0.00     5.31
+ATOM      3    O STP     2      15.522  -2.882  -5.276    0.00     5.08
+ATOM      4    C STP     2      15.995  -2.955  -4.856    0.00     4.82
+ATOM      5    O STP     2      13.095  -2.490  -4.004    0.00     5.03
+ATOM      6    C STP     2      13.183  -1.721  -5.144    0.00     4.48
+ATOM      7    O STP     2      12.781  -3.134  -5.440    0.00     5.47
+ATOM      8    O STP     2      12.861  -2.571  -3.836    0.00     4.99
+ATOM      9    O STP     2      12.884  -2.675  -2.474    0.00     4.53
+ATOM     10    O STP     2      12.590  -3.183  -5.255    0.00     5.41
+ATOM     11    O STP     2      13.360  -2.540  -2.472    0.00     4.44
+ATOM     12    O STP     2      13.700  -2.356  -3.546    0.00     4.77
+ATOM     13    C STP     2      15.868  -2.633  -3.988    0.00     4.59
+ATOM     14    C STP     2      15.151  -2.431  -4.329    0.00     4.85
+ATOM     15    C STP     2      14.118  -2.694  -7.846    0.00     5.29
+ATOM     16    O STP     2      13.022  -3.130  -6.128    0.00     5.74
+ATOM     17    O STP     2      15.554  -2.894  -5.340    0.00     5.08
+ATOM     18    C STP     2      16.099  -3.003  -5.155    0.00     4.86
+ATOM     19    O STP     2      14.105  -3.171  -6.160    0.00     5.44
+ATOM     20    O STP     2      15.257  -2.955  -5.446    0.00     5.12
+ATOM     21    O STP     2      15.188  -2.969  -5.479    0.00     5.13
+ATOM     22    O STP     2      15.213  -2.988  -5.463    0.00     5.11
+ATOM     23    C STP     2      15.550  -2.204  -8.230    0.00     4.87
+ATOM     24    C STP     2      14.802  -2.746  -7.776    0.00     5.21
+ATOM     25    C STP     2      14.991  -3.351  -8.348    0.00     4.52
+ATOM     26    C STP     2      16.789  -1.762  -7.588    0.00     4.46
+ATOM     27    C STP     2      15.635  -2.200  -8.169    0.00     4.85
+ATOM     28    C STP     2      17.600  -2.165  -6.557    0.00     4.14
+ATOM     29    C STP     2      16.541  -2.876  -5.796    0.00     4.72
+ATOM     30    C STP     2      16.721  -2.043  -6.937    0.00     4.51
+ATOM     31    O STP     2      16.042  -2.737  -6.112    0.00     4.93
+ATOM     32    O STP     2      15.126  -3.117  -7.369    0.00     4.96
+ATOM     33    C STP     2      15.094  -3.059  -7.417    0.00     5.00
+ATOM     34    O STP     2      14.998  -2.901  -7.258    0.00     5.19
+ATOM     35    C STP     2      14.975  -2.857  -7.412    0.00     5.19
+TER
+END